# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-21T13:07:20+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (year = 2024 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1569774","6.504","0.0002","23.3098","0.0008","11.7604","0.0004","90","","93.774","0.003","90","","1779.09","0.1","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H10 N2 S7 -","- C17 H10 N2 S7 -","- C68 H40 N8 S28 -","4","1","","Tomimatsu, Akihiro; Suizu, Rie; Nakazawa, Miyabi; Shirahata, Takashi; Misaki, Yohji; Kinoshita, Naoya; Awaga, Kunio","Optoelectronic conversion and polarization hysteresis in organic MISM and MISIM devices with DA-type single-component molecules.","Faraday discussions","2024","250","0","96","109","10.1039/d3fd00125c","","","0.71073","MoKα","","0.0593","0.0379","","","0.0697","0.0757","","","","","","1.047","","","","has coordinates,has disorder","290996","2024-04-04","23:53:51",""
"1570094","17.915","0.0008","22.4618","0.0009","25.0531","0.0008","90","","90","","90","","10081.4","0.7","100","2","100","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C47.25 H43.5 Cl2.5 F10 Ir N4 O4 -","- C47.262 H43.527 Cl2.5 F10 Ir N4 O4 -","- C378.096 H348.216 Cl20 F80 Ir8 N32 O32 -","8","1","","Tan, Yi Zhen; Wu, Xiangyang; Lu, Yunpeng; Chiba, Shunsuke; Yeow, Edwin K. L.","Towards catalytic redox-active iridium polypyridyl complex by in situ photosubstitution","Catalysis Science & Technology","2024","14","1","66","75","10.1039/D3CY00942D","","x-ray","0.71073","MoKα","","0.0918","0.0477","","","0.1185","0.1493","","","","","","1.066","","","","has coordinates,has disorder","289310","2024-02-04","10:57:35",""
"1570095","25.7551","0.0005","19.7204","0.0004","22.789","0.0004","90","","90","","90","","11574.6","0.4","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C53 H52 F10 Ir N5 O4 -","- C52.5 H52 F10 Ir N5 O4 -","- C420 H416 F80 Ir8 N40 O32 -","8","1","","Tan, Yi Zhen; Wu, Xiangyang; Lu, Yunpeng; Chiba, Shunsuke; Yeow, Edwin K. L.","Towards catalytic redox-active iridium polypyridyl complex by in situ photosubstitution","Catalysis Science & Technology","2024","14","1","66","75","10.1039/D3CY00942D","","x-ray","0.71073","MoKα","","0.1087","0.0851","","","0.23","0.2591","","","","","","1.115","","","","has coordinates,has disorder","289310","2024-02-04","10:57:36",""
"1570192","12.554","0.005","14.479","0.004","15.943","0.006","90","","105.032","0.014","90","","2798.8","1.7","100","","100","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 -","- C40 H34 -","- C160 H136 -","4","1","","Appiarius, Yannik; Míguez-Lago, Sandra; Puylaert, Pim; Wolf, Noah; Kumar, Sourabh; Molkenthin, Martin; Miguel, Delia; Neudecker, Tim; Juríček, Michal; Campaña, Araceli G; Staubitz, Anne","Boosting quantum yields and circularly polarized luminescence of penta- and hexahelicenes by doping with two BN-groups.","Chemical science","2024","15","2","466","476","10.1039/d3sc02685j","","","0.71073","MoKα","","0.0694","0.0498","","","0.1253","0.1399","","","","","","1.032","","","","has coordinates","289424","2024-02-04","11:33:15",""
"1570193","29.1349","0.0009","13.8389","0.0005","14.8881","0.0006","90","","92.953","0.001","90","","5994.8","0.4","100","","100","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 -","- C44 H36 -","- C352 H288 -","8","1","","Appiarius, Yannik; Míguez-Lago, Sandra; Puylaert, Pim; Wolf, Noah; Kumar, Sourabh; Molkenthin, Martin; Miguel, Delia; Neudecker, Tim; Juríček, Michal; Campaña, Araceli G; Staubitz, Anne","Boosting quantum yields and circularly polarized luminescence of penta- and hexahelicenes by doping with two BN-groups.","Chemical science","2024","15","2","466","476","10.1039/d3sc02685j","","","0.71073","MoKα","","0.0745","0.0534","","","0.1227","0.1345","","","","","","1.017","","","","has coordinates","289424","2024-02-04","11:33:15",""
"1570194","29.2871","0.0011","13.7319","0.0005","15.0245","0.0005","90","","94.365","0.002","90","","6024.8","0.4","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 B2 N2 -","- C40 H36 B2 N2 -","- C320 H288 B16 N16 -","8","1","","Appiarius, Yannik; Míguez-Lago, Sandra; Puylaert, Pim; Wolf, Noah; Kumar, Sourabh; Molkenthin, Martin; Miguel, Delia; Neudecker, Tim; Juríček, Michal; Campaña, Araceli G; Staubitz, Anne","Boosting quantum yields and circularly polarized luminescence of penta- and hexahelicenes by doping with two BN-groups.","Chemical science","2024","15","2","466","476","10.1039/d3sc02685j","","","0.71073","MoKα","","0.0719","0.0527","","","0.1349","0.1473","","","","","","1.035","","","","has coordinates","289424","2024-02-04","11:33:15",""
"1570195","17.5703","0.0006","8.2181","0.0003","20.6544","0.0008","90","","107.203","0.001","90","","2848.96","0.18","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 B2 N2 -","- C36 H34 B2 N2 -","- C144 H136 B8 N8 -","4","1","","Appiarius, Yannik; Míguez-Lago, Sandra; Puylaert, Pim; Wolf, Noah; Kumar, Sourabh; Molkenthin, Martin; Miguel, Delia; Neudecker, Tim; Juríček, Michal; Campaña, Araceli G; Staubitz, Anne","Boosting quantum yields and circularly polarized luminescence of penta- and hexahelicenes by doping with two BN-groups.","Chemical science","2024","15","2","466","476","10.1039/d3sc02685j","","","0.71073","MoKα","","0.0714","0.0508","","","0.1188","0.1283","","","","","","1.039","","","","has coordinates","289424","2024-02-04","11:33:15",""
"1570196","13.0913","0.0014","14.9897","0.0016","19.698","0.002","86.55","0.004","86.961","0.004","69.776","0.004","3618.4","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C38.5 H33 B2 Cl N4 -","- C38.5 H33 B2 Cl N4 -","- C154 H132 B8 Cl4 N16 -","4","2","","Appiarius, Yannik; Míguez-Lago, Sandra; Puylaert, Pim; Wolf, Noah; Kumar, Sourabh; Molkenthin, Martin; Miguel, Delia; Neudecker, Tim; Juríček, Michal; Campaña, Araceli G; Staubitz, Anne","Boosting quantum yields and circularly polarized luminescence of penta- and hexahelicenes by doping with two BN-groups.","Chemical science","2024","15","2","466","476","10.1039/d3sc02685j","","","0.71073","MoKα","","0.095","0.061","","","0.1369","0.1527","","","","","","1.026","","","","has coordinates","289424","2024-02-04","11:33:15",""
"1570197","21.8649","0.0009","12.8104","0.0008","22.9768","0.0011","90","","108.44","0.002","90","","6105.3","0.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 B2 Br2 N2 -","- C36 H32 B2 Br2 N2 -","- C288 H256 B16 Br16 N16 -","8","2","","Appiarius, Yannik; Míguez-Lago, Sandra; Puylaert, Pim; Wolf, Noah; Kumar, Sourabh; Molkenthin, Martin; Miguel, Delia; Neudecker, Tim; Juríček, Michal; Campaña, Araceli G; Staubitz, Anne","Boosting quantum yields and circularly polarized luminescence of penta- and hexahelicenes by doping with two BN-groups.","Chemical science","2024","15","2","466","476","10.1039/d3sc02685j","","","0.71073","MoKα","","0.0696","0.0423","","","0.0853","0.0957","","","","","","1.031","","","","has coordinates","289424","2024-02-04","11:33:15",""
"1570214","13.6447","0.0015","16.79","0.002","18.809","0.002","111.312","0.004","99.798","0.003","90.068","0.004","3946.5","0.8","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H50 Au Cl2 N3 -","- C45 H50 Au Cl2 N3 -","- C180 H200 Au4 Cl8 N12 -","4","2","","Au-Yeung, Cathay Chai; Leung, Ming-Yi; Lai, Shiu-Lun; Cheng, Shun-Cheung; Li, Lok-Kwan; Tang, Man-Chung; Kwok, Wing-Kei; Ko, Chi-Chiu; Chan, Mei-Yee; Yam, Vivian Wing-Wah","Thermally activated delayed fluorescence tetradentate ligand-containing gold(III) complexes with preferential molecular orientation and their application in organic light-emitting devices.","Materials horizons","2024","11","1","151","162","10.1039/d3mh00910f","","x-ray","0.71073","MoKα","","0.065","0.0428","","","0.0888","0.0999","","","","","","1.083","","","","has coordinates","289651","2024-02-04","12:33:33",""
"1570270","9.4947","0.0002","15.7979","0.0003","14.4936","0.0003","90","","93.65","0.002","90","","2169.58","0.08","300","0.1","300","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H42 Cl2 Cu2 N6 O15 -","- C38 H42 Cl2 Cu2 N6 O15 -","- C76 H84 Cl4 Cu4 N12 O30 -","2","1","","Haldar, Rajashi; Kumar, Ajay; Mandal, Dipankar; Shanmugam, Maheswaran","Deciphering the anisotropic energy harvesting responses of an above room temperature molecular ferroelectric copper(II) complex single crystal.","Materials horizons","2024","11","2","454","459","10.1039/d3mh01336g","","x-ray","0.71073","MoKα","","0.0451","0.0382","","","0.0905","0.0955","","","","","","1.027","","","","has coordinates","289652","2024-02-04","12:33:43",""
"1570271","9.3868","0.0002","15.5499","0.0003","14.4461","0.0002","90","","93.944","0.002","90","","2103.61","0.07","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H42 Cl2 Cu2 N6 O15 -","- C38 H42 Cl2 Cu2 N6 O15 -","- C76 H84 Cl4 Cu4 N12 O30 -","2","1","","Haldar, Rajashi; Kumar, Ajay; Mandal, Dipankar; Shanmugam, Maheswaran","Deciphering the anisotropic energy harvesting responses of an above room temperature molecular ferroelectric copper(II) complex single crystal.","Materials horizons","2024","11","2","454","459","10.1039/d3mh01336g","","x-ray","0.71073","MoKα","","0.0325","0.0285","","","0.0609","0.0629","","","","","","1.029","","","","has coordinates","289652","2024-02-04","12:33:43",""
"1570302","23.295","0.004","10.179","0.002","10.6479","0.0019","90","","97.284","0.006","90","","2504.5","0.8","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 F N4 O4 -","- C27 H33 F N4 O4 -","- C108 H132 F4 N16 O16 -","4","1","LQ5053","Chen, An; Cai, Peishan; Peng, Yayun; Guo, Minshan; Su, Yuan; Cai, Ting","The role of alkyl chain length in the melt and solution crystallization of paliperidone aliphatic prodrugs.","IUCrJ","2024","11","Pt 1","23","33","10.1107/S2052252523009582","","","0.71073","MoKα","","0.1746","0.0974","","","0.2334","0.2707","","","","","","1.109","","","","has coordinates","289698","2024-02-05","12:10:56",""
"1570303","26.953","0.011","10.08","0.004","10.753","0.004","90","","92.658","0.012","90","","2918","2","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H41 F N4 O4 -","- C31 H41 F N4 O4 -","- C124 H164 F4 N16 O16 -","4","1","","Chen, An; Cai, Peishan; Peng, Yayun; Guo, Minshan; Su, Yuan; Cai, Ting","The role of alkyl chain length in the melt and solution crystallization of paliperidone aliphatic prodrugs.","IUCrJ","2024","11","Pt 1","23","33","10.1107/S2052252523009582","","","0.71073","MoKα","","0.1921","0.0827","","","0.1807","0.2323","","","","","","1.011","","","","has coordinates","289698","2024-02-05","12:10:57",""
"1570304","31.029","0.003","9.9381","0.001","10.8384","0.0011","90","","99.374","0.003","90","","3297.6","0.6","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H49 F N4 O4 -","- C35 H49 F N4 O4 -","- C140 H196 F4 N16 O16 -","4","1","","Chen, An; Cai, Peishan; Peng, Yayun; Guo, Minshan; Su, Yuan; Cai, Ting","The role of alkyl chain length in the melt and solution crystallization of paliperidone aliphatic prodrugs.","IUCrJ","2024","11","Pt 1","23","33","10.1107/S2052252523009582","","","0.71073","MoKα","","0.1392","0.059","","","0.1112","0.1483","","","","","","1.051","","","","has coordinates","289698","2024-02-05","12:10:57",""
"1570305","34.188","0.003","9.828","0.0009","10.8068","0.0009","90","","92.992","0.003","90","","3626.1","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H57 F N4 O4 -","- C39 H57 F N4 O4 -","- C156 H228 F4 N16 O16 -","4","1","","Chen, An; Cai, Peishan; Peng, Yayun; Guo, Minshan; Su, Yuan; Cai, Ting","The role of alkyl chain length in the melt and solution crystallization of paliperidone aliphatic prodrugs.","IUCrJ","2024","11","Pt 1","23","33","10.1107/S2052252523009582","","","0.71073","MoKα","","0.1155","0.0556","","","0.1165","0.1462","","","","","","1.016","","","","has coordinates","289698","2024-02-05","12:10:57",""
"1570363","7.948","0.002","8.256","0.002","10.775","0.003","75.188","0.008","78.772","0.008","73.732","0.008","650.4","0.3","298","2","298","","","","","","","","","5","P -1","-P 1","2","","Cobaltbromide_Pyridine3_methylpyrazole","","- C10 H11 Br2 Co N3 -","- C10 H11 Br2 Co N3 -","- C20 H22 Br4 Co2 N6 -","2","1","","Kumar, Rohit; Srivastava, Ankit Kumar; Nagarasu, Palaniyappan; Madhu, Vedichi; Balaraman, Ekambaram","A general and expedient amination of alcohols catalysed by a single-site (NN)Co(ii)-bidentate complex under solventless conditions","Catalysis Science & Technology","2024","14","1","98","109","10.1039/D3CY00809F","","","0.71073","MoKα","","0.0249","0.024","","","0.0579","0.0588","","","","","","1.075","","","","has coordinates","289311","2024-02-04","10:57:44",""
"1570368","36.1","0.6","19.23","0.07","7.97","0.05","90","","90","","90","","5533","10","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","NO2-PDI","","","- C34 H29 N3 O6 -","- C34 H29 N3 O6 -","- C272 H232 N24 O48 -","8","1","","Mathew, Renny; Mazumder, Aniruddha; Kumar, Praveen; Matula, Julie; Mohamed, Sharmarke; Brazda, Petr; Hariharan, Mahesh; Thomas, Brijith","Unveiling the topology of partially disordered micro-crystalline nitro-perylenediimide with X-aggregate stacking: an integrated approach.","Chemical science","2024","15","2","490","499","10.1039/d3sc05514k","","electron","0.0251","electron","","0.3278","0.223","","","0.2168","0.2289","","","","0","0","3.9855","","","","has coordinates","289415","2024-02-04","11:31:20",""
"1570373","13.2705","0.001","21.6957","0.0016","22.113","0.0017","111.223","0.003","102.466","0.003","104.738","0.003","5394.3","0.7","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C136 H90 Cl2 N4 O16 -","- C136 H90 Cl2 N4 O16 -","- C272 H180 Cl4 N8 O32 -","2","2","","Weh, Manuel; Kroeger, Asja A.; Anhalt, Olga; Karton, Amir; Würthner, Frank","Mutual induced fit transition structure stabilization of corannulene's bowl-to-bowl inversion in a perylene bisimide cyclophane.","Chemical science","2024","15","2","609","617","10.1039/d3sc05341e","","","1.54178","CuKα","","0.0515","0.0503","","","0.1461","0.1478","","","","","","1.015","","","","has coordinates,has disorder","289413","2024-02-04","11:31:00",""
"1570384","6.95","0.0004","9.8071","0.0006","11.6221","0.0005","90.667","0.004","105.074","0.004","107.794","0.005","724.72","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 F4 O3 S -","- C15 H12 F4 O3 S -","- C30 H24 F8 O6 S2 -","2","1","","Mathuri, Ashis; Pal, Buddhadeb; Pramanik, Milan; Manna, Anupam; Mal, Prasenjit","Enhancing the photocatalytic efficiency and stability of CsPbBr3 nanocrystals for visible-light driven aerobic diaryl thio/seleno etherification","Catalysis Science & Technology","2024","14","1","183","189","10.1039/D3CY01478A","","x-ray","0.71073","MoKα","","0.0356","0.0313","","","0.0803","0.0827","","","","","","0.992","","","","has coordinates","289312","2024-02-04","10:57:51",""
"1570409","17.9065","0.0003","15.4002","0.0003","7.3943","0.0001","90","","90","","90","","2039.08","0.06","298","","298","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C40 H20 Cl4 O7 S8 -","- C40 H20 Cl4 O7 S8 -","- C80 H40 Cl8 O14 S16 -","2","0.5","","Li, Tao; Liu, Jia-Chuan; Liu, En-Ping; Liu, Bai-Tong; Wang, Jing-Yu; Liao, Pei-Yu; Jia, Jian-Hua; Feng, Yuanning; Tong, Ming-Liang","NIR-II photothermal conversion and imaging based on a cocrystal containing twisted components.","Chemical science","2024","15","5","1692","1699","10.1039/d3sc03532h","","x-ray","1.3405","GaKα","","0.0592","0.0555","","","0.1774","0.1827","","","","","","1.07","","","","has coordinates","289400","2024-02-04","11:27:17",""
"1570410","13.343","0.008","10.807","0.006","14.322","0.009","90","","111.45","0.02","90","","1922","2","201","2","201.34","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H4 Cl4 N0.25 O6 -","- C24 H6 Cl4 O6 -","- C96 H24 Cl16 O24 -","4","1","","Li, Tao; Liu, Jia-Chuan; Liu, En-Ping; Liu, Bai-Tong; Wang, Jing-Yu; Liao, Pei-Yu; Jia, Jian-Hua; Feng, Yuanning; Tong, Ming-Liang","NIR-II photothermal conversion and imaging based on a cocrystal containing twisted components.","Chemical science","2024","15","5","1692","1699","10.1039/d3sc03532h","","","0.71073","MoKα","","0.0409","0.0325","","","0.0843","0.0889","","","","","","1.018","","","","has coordinates","289400","2024-02-04","11:27:17",""
"1570411","15.37851","0.00009","22.32456","0.00014","7.70669","0.00005","90","","91.6555","0.0005","90","","2644.74","0.03","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Br2 N2 O4 S2 -","- C28 H24 Br2 N2 O4 S2 -","- C112 H96 Br8 N8 O16 S8 -","4","1","","Zhao, Lingli; Cao, Yanyan; Qin, Hanwen; He, Xi; Zhao, Zhiyuan; Guo, Yunlong; Chen, Huajie","Synthesis and charge-transport properties of novel π-conjugated polymers incorporating core-extended naphtho[2,1-b:3,4-b′]dithiophene diimides","Polymer Chemistry","2024","15","2","59","70","10.1039/D3PY01186K","","x-ray","1.54184","CuKα","","0.0286","0.0271","","","0.0722","0.0732","","","","","","1.041","","","","has coordinates,has disorder","289649","2024-02-04","12:33:07",""
"1570412","10.0726","0.0003","14.3581","0.0004","15.3628","0.0004","109.639","0.003","95.666","0.002","108.274","0.003","1934.6","0.11","125","","125","","","","","","","","","4","P -1","-P 1","2","","","","- C52 H40 N4 O2 -","- C52 H40 N4 O2 -","- C104 H80 N8 O4 -","2","1","","Sudhakar, Pagidi; Gupta, Abhishek Kumar; Cordes, David B.; Zysman-Colman, Eli","Thermally activated delayed fluorescence emitters showing wide-range near-infrared piezochromism and their use in deep-red OLEDs.","Chemical science","2024","15","2","545","554","10.1039/d3sc05188a","","x-ray","1.54184","CuKα","","0.0494","0.0416","","","0.1114","0.1179","","","","","","1.051","","","","has coordinates","289420","2024-02-04","11:32:01",""
"1570413","5.9658","0.0002","17.8685","0.0007","25.1599","0.001","76.932","0.004","86.233","0.003","86.248","0.003","2603.41","0.17","125","","125","","","","","","","","","4","P -1","-P 1","2","","","","- C64 H64 N4 O2 -","- C64 H64 N4 O2 -","- C128 H128 N8 O4 -","2","1","","Sudhakar, Pagidi; Gupta, Abhishek Kumar; Cordes, David B.; Zysman-Colman, Eli","Thermally activated delayed fluorescence emitters showing wide-range near-infrared piezochromism and their use in deep-red OLEDs.","Chemical science","2024","15","2","545","554","10.1039/d3sc05188a","","x-ray","1.54184","CuKα","","0.1192","0.0604","","","0.1358","0.1678","","","","","","1.016","","","","has coordinates,has disorder","289420","2024-02-04","11:32:01",""
"1570414","7.1815","0.0003","17.3109","0.0007","46.2197","0.0017","90","","90","","90","","5746","0.4","173.01","0.1","173.01","0.1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C33 H22 F7 N3 O2 -","- C33 H22 F7 N3 O2 -","- C264 H176 F56 N24 O16 -","8","1","","Cheng, Qiuhong; Hao, Aiyou; Xing, Pengyao","Selective chiral dimerization and folding driven by arene-perfluoroarene force.","Chemical science","2024","15","2","618","628","10.1039/d3sc05212e","","x-ray","1.54184","CuKα","","0.0634","0.0522","","","0.1467","0.1567","","","","","","0.857","","","","has coordinates","289414","2024-02-04","11:31:13",""
"1570415","8.3043","0.0002","8.691","0.0002","20.6746","0.0004","80.978","0.002","81.965","0.002","67.556","0.003","1356.82","0.06","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C33 H22 F7 N3 O2 -","- C33 H22 F7 N3 O2 -","- C66 H44 F14 N6 O4 -","2","1","","Cheng, Qiuhong; Hao, Aiyou; Xing, Pengyao","Selective chiral dimerization and folding driven by arene-perfluoroarene force.","Chemical science","2024","15","2","618","628","10.1039/d3sc05212e","","x-ray","1.54184","CuKα","","0.0677","0.0574","","","0.1627","0.1729","","","","","","1.072","","","","has coordinates","289414","2024-02-04","11:31:13",""
"1570416","17.8394","0.0003","8.2183","0.0002","22.8962","0.0005","90","","102.884","0.002","90","","3272.29","0.12","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C79 H64 F14 N6 O4 -","- C79 H64 F14 N6 O4 -","- C158 H128 F28 N12 O8 -","2","1","","Cheng, Qiuhong; Hao, Aiyou; Xing, Pengyao","Selective chiral dimerization and folding driven by arene-perfluoroarene force.","Chemical science","2024","15","2","618","628","10.1039/d3sc05212e","","x-ray","1.54184","CuKα","","0.1279","0.1107","","","0.2864","0.299","","","","","","1.064","","","","has coordinates","289414","2024-02-04","11:31:13",""
"1570417","22.8294","0.0003","9.4458","0.0001","31.1842","0.0005","90","","90.301","0.002","90","","6724.53","0.16","173","0.1","173","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C73 H57 Cl3 F14 N6 O4 -","- C73 H57 Cl3 F14 N6 O4 -","- C292 H228 Cl12 F56 N24 O16 -","4","1","","Cheng, Qiuhong; Hao, Aiyou; Xing, Pengyao","Selective chiral dimerization and folding driven by arene-perfluoroarene force.","Chemical science","2024","15","2","618","628","10.1039/d3sc05212e","","x-ray","1.54184","CuKα","","0.1445","0.1282","","","0.3922","0.4079","","","","","","1.708","","","","has coordinates","289414","2024-02-04","11:31:13",""
"1570418","8.6927","0.0009","29.467","0.003","11.3135","0.0012","90","","112.393","0.003","90","","2679.4","0.5","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C61 H80 O13 -","- C61 H80 O13 -","- C122 H160 O26 -","2","1","","He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin","Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers.","Chemical science","2024","15","4","1260","1270","10.1039/d3sc05233h","","","1.54178","CuKα","","0.043","0.0428","","","0.1162","0.1165","","","","","","1.015","","","","has coordinates","289410","2024-02-04","11:30:35",""
"1570419","8.7346","0.0003","9.9202","0.0003","28.6562","0.0008","90","","90","","90","","2483.03","0.13","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 O4 -","- C30 H34 O4 -","- C120 H136 O16 -","4","1","","He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin","Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers.","Chemical science","2024","15","4","1260","1270","10.1039/d3sc05233h","","","1.54178","CuKα","","0.0514","0.0511","","","0.1454","0.1463","","","","","","1.085","","","","has coordinates","289410","2024-02-04","11:30:35",""
"1570420","8.8971","0.0002","15.2326","0.0003","18.8392","0.0003","90","","90","","90","","2553.2","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 O4 -","- C30 H38 O4 -","- C120 H152 O16 -","4","1","","He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin","Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers.","Chemical science","2024","15","4","1260","1270","10.1039/d3sc05233h","","","1.54178","CuKα","","0.0345","0.0344","","","0.0889","0.089","","","","","","1.068","","","","has coordinates","289410","2024-02-04","11:30:35",""
"1570421","8.7065","0.0002","13.1797","0.0002","22.9727","0.0004","90","","90","","90","","2636.1","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H40 O5 -","- C30 H40 O5 -","- C120 H160 O20 -","4","1","","He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin","Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers.","Chemical science","2024","15","4","1260","1270","10.1039/d3sc05233h","","","1.54178","CuKα","","0.0318","0.0307","","","0.0794","0.0806","","","","","","1.048","","","","has coordinates","289410","2024-02-04","11:30:35",""
"1570422","8.6842","0.0002","15.4286","0.0003","19.2929","0.0004","90","","90","","90","","2584.96","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H40 O4 -","- C30 H40 O4 -","- C120 H160 O16 -","4","1","","He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin","Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers.","Chemical science","2024","15","4","1260","1270","10.1039/d3sc05233h","","","1.54178","CuKα","","0.044","0.0438","","","0.1145","0.1147","","","","","","1.045","","","","has coordinates","289410","2024-02-04","11:30:35",""
"1570423","8.733","0.0005","9.9169","0.0006","28.6719","0.0017","90","","90","","90","","2483.1","0.3","101","2","101","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 O4 -","- C30 H34 O4 -","- C120 H136 O16 -","4","1","","He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin","Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers.","Chemical science","2024","15","4","1260","1270","10.1039/d3sc05233h","","","1.54178","CuKα","","0.0396","0.0376","","","0.0978","0.0997","","","","","","1.043","","","","has coordinates","289410","2024-02-04","11:30:36",""
"1570424","8.2056","0.0002","9.4771","0.0002","16.4429","0.0003","90","","90","","90","","1278.69","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O -","- C15 H22 O -","- C60 H88 O4 -","4","1","","He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin","Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers.","Chemical science","2024","15","4","1260","1270","10.1039/d3sc05233h","","","1.54178","CuKα","","0.0312","0.0302","","","0.0802","0.0813","","","","","","1.101","","","","has coordinates","289410","2024-02-04","11:30:36",""
"1570425","8.2085","0.0003","9.4732","0.0003","16.4463","0.0006","90","","90","","90","","1278.88","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O -","- C15 H22 O -","- C60 H88 O4 -","4","1","","He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin","Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers.","Chemical science","2024","15","4","1260","1270","10.1039/d3sc05233h","","","1.54178","CuKα","","0.0309","0.0306","","","0.0789","0.0791","","","","","","1.061","","","","has coordinates","289410","2024-02-04","11:30:36",""
"1570432","9.611","0.002","15.13","0.003","21.533","0.005","91.969","0.008","96.72","0.009","101.57","0.009","3041.1","1.1","170","","170","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H85.6 F12 Mg N14 O8 S4 -","- C34 H85.6 F12 Mg N14 O8 S4 -","- C68 H171.2 F24 Mg2 N28 O16 S8 -","2","1","","Wang, Min; Sun, Wenhao; Zhang, Kun; Zhang, Zhonghua; Du, Aobing; Dong, Shanmu; Zhang, Jinlei; Liu, Jing; Chen, Xi; Zhou, Zhenfang; Li, Fujun; Li, Zhenjiang; Li, Guicun; Cui, Guanglei","Synergy between the coordination and trace ionization of co-solvents enables reversible magnesium electroplating/stripping behavior","Energy & Environmental Science","2024","17","2","630","641","10.1039/D3EE02450D","","","0.71073","MoKα","","0.1099","0.064","","","0.1495","0.1746","","","","","","1.042","","","","has coordinates,has disorder","289562","2024-02-04","12:15:58",""
"1570433","5.5541","0.0004","6.6179","0.0011","6.964","0.003","90","","103.835","0.019","90","","248.55","0.12","295","2","295","2","","","3300000","","","","","3","P 1 21/c 1","-P 2ybc","14","","dimethyl ether","","- C2 H6 O -","- C2 H6 O -","- C8 H24 O4 -","4","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0776","0.0708","","","0.1861","0.1927","","","","","","1.204","","","","has coordinates","289697","2024-02-05","12:10:00",""
"1570434","5.5277","0.0004","6.527","0.01","6.8941","0.0005","90","","103.869","0.006","90","","241.5","0.4","295","2","295","2","","","3900000","","","","","3","P 1 21/c 1","-P 2ybc","14","","dimethyl ether","","- C2 H6 O -","- C2 H6 O -","- C8 H24 O4 -","4","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0728","0.069","","","0.1661","0.1724","","","","","","1.192","","","","has coordinates","289697","2024-02-05","12:10:09",""
"1570435","5.5073","0.0004","6.493","0.005","6.8431","0.0008","90","","103.848","0.008","90","","237.59","0.19","295","2","295","2","","","4300000","","","","","3","P 1 21/c 1","-P 2ybc","14","","dimethyl ether","","- C2 H6 O -","- C2 H6 O -","- C8 H24 O4 -","4","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0566","0.0525","","","0.1326","0.1399","","","","","","1.181","","","","has coordinates","289697","2024-02-05","12:10:16",""
"1570436","4.3394","0.0012","8.414","0.002","12.821","0.006","90.55","0.04","93.89","0.06","90.83","0.02","467","0.3","295","2","295","2","","","4500000","","","","","3","P -1","-P 1","2","","dimethyl ether","","- C2 H6 O -","- C2 H6 O -","- C16 H48 O8 -","8","4","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0628","0.0554","","","0.1474","0.1553","","","","","","1.131","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570437","4.2888","0.0017","8.3045","0.0018","12.7912","0.0013","90.249","0.012","93.92","0.02","90.14","0.03","454.5","0.2","295","2","295","2","","","5600000","","","","","3","P -1","-P 1","2","","dimethyl ether","","- C2 H6 O -","- C2 H6 O -","- C16 H48 O8 -","8","4","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.1296","0.1173","","","0.2518","0.2604","","","","","","1.135","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570438","4.25","0.004","8.198","0.003","12.6105","0.0019","90.641","0.019","93.97","0.03","90.04","0.05","438.3","0.4","295","2","295","2","","","7300000","","","","","3","P -1","-P 1","2","","dimethyl ether","","- C2 H6 O -","- C2 H6 O -","- C16 H48 O8 -","8","4","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.1062","0.0793","","","0.1688","0.1868","","","","","","1.055","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570439","6.8268","0.0003","8.1428","0.0017","7.7731","0.0003","90","","93.443","0.004","90","","431.32","0.09","295","2","295","2","","","1850000","","","","","3","P 1 21/c 1","-P 2ybc","14","","diethyl ether","","- C4 H10 O -","- C4 H10 O -","- C16 H40 O4 -","4","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0403","0.0353","","","0.095","0.0988","","","","","","1.121","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570440","6.7948","0.0003","8.0952","0.0012","7.7259","0.0002","90","","93.621","0.003","90","","424.12","0.07","295","2","295","2","","","2150000","","","","","3","P 1 21/c 1","-P 2ybc","14","","diethyl ether","","- C4 H10 O -","- C4 H10 O -","- C16 H40 O4 -","4","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0367","0.0327","","","0.0883","0.0928","","","","","","1.168","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570441","6.7759","0.0003","8.0552","0.0014","7.6873","0.0002","90","","93.713","0.003","90","","418.7","0.08","295","2","295","2","","","2450000","","","","","3","P 1 21/c 1","-P 2ybc","14","","diethyl ether","","- C4 H10 O -","- C4 H10 O -","- C16 H40 O4 -","4","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0421","0.039","","","0.1069","0.111","","","","","","1.138","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570442","6.7612","0.0003","8.0271","0.0015","7.6687","0.0003","90","","93.784","0.004","90","","415.29","0.08","295","2","295","2","","","2650000","","","","","3","P 1 21/c 1","-P 2ybc","14","","diethyl ether","","- C4 H10 O -","- C4 H10 O -","- C16 H40 O4 -","4","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0423","0.0388","","","0.1073","0.111","","","","","","1.088","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570443","7.7073","0.0012","4.0885","0.0004","13.233","0.002","90","","93.793","0.016","90","","416.08","0.1","295","2","295","2","","","2650000","","","","","3","I 1 2/a 1","-I 2ya","15","","diethyl ether","","- C4 H10 O -","- C4 H10 O -","- C16 H40 O4 -","4","0.5","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0417","0.0371","","","0.1052","0.1085","","","","","","1.13","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570444","5.1196","0.0004","5.6659","0.001","7.2999","0.0004","97.275","0.008","102.728","0.006","96.747","0.01","202.56","0.04","295","2","295","2","","","2800000","","","","","3","P -1","-P 1","2","","diethyl ether","","- C4 H10 O -","- C4 H10 O -","- C8 H20 O2 -","2","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0419","0.0388","","","0.098","0.1","","","","","","1.179","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570445","5.0809","0.0005","5.6329","0.001","7.2451","0.001","97.382","0.013","102.749","0.01","97.002","0.011","198.13","0.05","295","2","295","2","","","3450000","","","","","3","P -1","-P 1","2","","diethyl ether","","- C4 H10 O -","- C4 H10 O -","- C8 H20 O2 -","2","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.1071","0.1011","","","0.338","0.3608","","","","","","1.788","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570446","5.072","0.003","5.629","0.002","7.215","0.005","97.43","0.05","102.91","0.06","97.15","0.05","196.6","0.2","295","2","295","2","","","3700000","","","","","3","P -1","-P 1","2","","diethyl ether","","- C4 H10 O -","- C4 H10 O -","- C8 H20 O2 -","2","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0553","0.0489","","","0.1344","0.1407","","","","","","1.166","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570447","5.0182","0.0019","5.575","0.003","7.136","0.003","97.36","0.04","102.81","0.03","97.72","0.04","190.31","0.15","295","2","295","2","","","4900000","","","","","3","P -1","-P 1","2","","diethyl ether","","- C4 H10 O -","- C4 H10 O -","- C8 H20 O2 -","2","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0739","0.061","","","0.1665","0.1816","","","","","","1.086","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570448","9.416","0.004","4.1817","0.0003","15.579","0.007","90","","101.23","0.05","90","","601.7","0.4","295","2","295","2","","","1700000","","","","","3","P 1 21/c 1","-P 2ybc","14","","dipropyl ether","","- C6 H14 O -","- C6 H14 O -","- C24 H56 O4 -","4","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0661","0.0455","","","0.1296","0.1513","","","","","","1.077","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570449","9.368","0.008","4.1229","0.0004","15.434","0.004","90","","100.84","0.06","90","","585.5","0.5","295","2","295","2","","","2100000","","","","","3","P 1 21/c 1","-P 2ybc","14","","dipropyl ether","","- C6 H14 O -","- C6 H14 O -","- C24 H56 O4 -","4","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0723","0.0524","","","0.1255","0.1416","","","","","","1.053","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570450","9.293","0.007","4.0686","0.0002","15.1855","0.001","90","","100.35","0.03","90","","564.8","0.4","295","2","295","2","","","2800000","","","","","3","P 1 21/c 1","-P 2ybc","14","","dipropyl ether","","- C6 H14 O -","- C6 H14 O -","- C24 H56 O4 -","4","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0591","0.0456","","","0.1256","0.1447","","","","","","1.082","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570451","9.198","0.009","4.0064","0.0003","14.9459","0.0015","90","","99.54","0.04","90","","543.2","0.5","295","2","295","2","","","3850000","","","","","3","P 1 21/c 1","-P 2ybc","14","","dipropyl ether","","- C6 H14 O -","- C6 H14 O -","- C24 H56 O4 -","4","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0424","0.0308","","","0.081","0.09","","","","","","1.111","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570452","9.099","0.012","3.9465","0.0003","14.649","0.008","90","","98.32","0.1","90","","520.5","0.8","295","2","295","2","","","5300000","","","","","3","P 1 21/c 1","-P 2ybc","14","","dipropyl ether","","- C6 H14 O -","- C6 H14 O -","- C24 H56 O4 -","4","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0666","0.0469","","","0.1081","0.1229","","","","","","1.06","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570453","6.10213","0.00005","7.30975","0.00006","29.70773","0.00019","92.3183","0.0006","93.944","0.0006","114.298","0.0008","1201.43","0.018","180","2","180","2","","","","","","","","4","P 1","P 1","1","","","","- C54 H74 N2 O8 -","- C54 H74 N2 O8 -","- C54 H74 N2 O8 -","1","1","","Zhang, Fan; Wang, Su-Jing; Xiao, Wen; Yu, Ming-Zhu; Sha, Feng; Wu, Ruibo; Xiang, Zheng","Harnessing the catalytic plasticity of the ent-kaurene synthase from Bradyrhizobium japonicum to produce the ent-rosane and ent-pimarane scaffolds","Catalysis Science & Technology","2024","14","2","306","314","10.1039/D3CY00115F","","","1.54184","CuKα","","0.0326","0.0322","","","0.0887","0.0891","","","","","","1.082","","","","has coordinates","289314","2024-02-04","10:58:31",""
"1570470","9.5342","0.0009","6.5619","0.0004","9.7191","0.001","90","","115.851","0.012","90","","547.2","0.1","179.99","0.1","179.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 O4 -","- C5 H6 O4 -","- C20 H24 O16 -","4","1","","Zhou, Tong; Guo, Yu-Ting; Yang, Chun; Meng, Xian-Bin; Du, Fu-Sheng; Li, Zi-Chen","High-Tg PLA copolymers via base-catalyzed transesterification of PLA with 2,5,7-trioxabicyclo[2.2.2]octan-6-one","Polymer Chemistry","2024","15","3","156","165","10.1039/D3PY01250F","","x-ray","0.71073","MoKα","","0.0807","0.0634","","","0.153","0.1626","","","","","","1.024","","","","has coordinates,has disorder","289650","2024-02-04","12:33:16",""
"1570471","6.6336","0.0003","10.5499","0.0006","18.8351","0.0015","90","","90","","90","","1318.15","0.14","180","0.1","180","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C48 H64 O32 -","8","1","","Zhou, Tong; Guo, Yu-Ting; Yang, Chun; Meng, Xian-Bin; Du, Fu-Sheng; Li, Zi-Chen","High-Tg PLA copolymers via base-catalyzed transesterification of PLA with 2,5,7-trioxabicyclo[2.2.2]octan-6-one","Polymer Chemistry","2024","15","3","156","165","10.1039/D3PY01250F","","x-ray","0.71073","MoKα","","0.0597","0.0426","","","0.1085","0.1181","","","","","","1.025","","","","has coordinates","289650","2024-02-04","12:33:16",""
"1570472","6.6147","0.0001","8.8811","0.0002","11.0758","0.0002","90","","90","","90","","650.66","0.02","100","0.11","100","0.11","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C24 H32 O16 -","4","1","","Zhou, Tong; Guo, Yu-Ting; Yang, Chun; Meng, Xian-Bin; Du, Fu-Sheng; Li, Zi-Chen","High-Tg PLA copolymers via base-catalyzed transesterification of PLA with 2,5,7-trioxabicyclo[2.2.2]octan-6-one","Polymer Chemistry","2024","15","3","156","165","10.1039/D3PY01250F","","x-ray","1.54184","CuKα","","0.0271","0.0254","","","0.0606","0.0613","","","","","","1.038","","","","has coordinates","289650","2024-02-04","12:33:16",""
"1570473","11.1805","0.0001","9.2464","0.0001","11.1482","0.0001","90","","105.801","0.001","90","","1108.94","0.019","169.99","0.1","169.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 O5 -","- C12 H14 O5 -","- C48 H56 O20 -","4","1","","Zhou, Tong; Guo, Yu-Ting; Yang, Chun; Meng, Xian-Bin; Du, Fu-Sheng; Li, Zi-Chen","High-Tg PLA copolymers via base-catalyzed transesterification of PLA with 2,5,7-trioxabicyclo[2.2.2]octan-6-one","Polymer Chemistry","2024","15","3","156","165","10.1039/D3PY01250F","","x-ray","1.54184","CuKα","","0.0341","0.0336","","","0.0867","0.0869","","","","","","1.104","","","","has coordinates","289650","2024-02-04","12:33:16",""
"1570474","11.7418","0.0001","34.0977","0.0004","8.4778","0.0001","90","","90","","90","","3394.24","0.06","170.01","0.1","170.01","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C17 H20 O9 -","- C17 H20 O9 -","- C136 H160 O72 -","8","2","","Zhou, Tong; Guo, Yu-Ting; Yang, Chun; Meng, Xian-Bin; Du, Fu-Sheng; Li, Zi-Chen","High-Tg PLA copolymers via base-catalyzed transesterification of PLA with 2,5,7-trioxabicyclo[2.2.2]octan-6-one","Polymer Chemistry","2024","15","3","156","165","10.1039/D3PY01250F","","x-ray","1.54184","CuKα","","0.0377","0.0366","","","0.1007","0.1018","","","","","","1.027","","","","has coordinates","289650","2024-02-04","12:33:16",""
"1570475","19.1884","0.0005","10.6212","0.0003","20.1144","0.0005","90","","107.614","0.001","90","","3907.2","0.18","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H44 Cl N2 Pd -","- C47 H44 Cl N2 Pd -","- C188 H176 Cl4 N8 Pd4 -","4","1","","Liu, Yue; Yang, Gang; Li, Chao; Tan, Chen; Chen, Min","Ligand pre-inserted α-diimine palladium catalysts and mechanism studies in olefin polymerization","Polymer Chemistry","2024","15","1","40","45","10.1039/D3PY01011B","","","0.71073","MoKα","","0.0662","0.0596","","","0.1702","0.1758","","","","","","1.062","","","","has coordinates,has disorder","289645","2024-02-04","12:32:34",""
"1570476","15.119","0.003","15.12","0.003","24.857","0.005","90","","103.91","0.03","90","","5516","2","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H35 Cl N2 Pd -","- C26 H35 Cl N2 Pd -","- C208 H280 Cl8 N16 Pd8 -","8","4","","Liu, Yue; Yang, Gang; Li, Chao; Tan, Chen; Chen, Min","Ligand pre-inserted α-diimine palladium catalysts and mechanism studies in olefin polymerization","Polymer Chemistry","2024","15","1","40","45","10.1039/D3PY01011B","","","0.71073","MoKα","","0.136","0.1223","","","0.3","0.3147","","","","","","1.3","","","","has coordinates","289645","2024-02-04","12:32:34",""
"1570477","10.034","0.0003","19.1514","0.0007","20.3631","0.0006","100.585","0.001","95.043","0.001","104.58","0.001","3685.4","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C81 H60 B F24 N3 Pd -","- C81 H60 B F24 N3 Pd -","- C162 H120 B2 F48 N6 Pd2 -","2","1","","Liu, Yue; Yang, Gang; Li, Chao; Tan, Chen; Chen, Min","Ligand pre-inserted α-diimine palladium catalysts and mechanism studies in olefin polymerization","Polymer Chemistry","2024","15","1","40","45","10.1039/D3PY01011B","","","0.71073","MoKα","","0.0679","0.0553","","","0.1375","0.1478","","","","","","1.05","","","","has coordinates,has disorder","289645","2024-02-04","12:32:34",""
"1570480","14.8596","0.0003","25.1992","0.0004","18.793","0.0005","90","","108.689","0.003","90","","6666","0.3","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H144 Fe3 K4 N8 O24 Sn18 -","- C72 H144 Fe3 K4 N8 O24 Sn18 -","- C144 H288 Fe6 K8 N16 O48 Sn36 -","2","0.5","","Li, Zi-Sheng; Chen, Wei-Xing; Morgan, Harry W. T.; Shu, Cong-Cong; McGrady, John E.; Sun, Zhong-Ming","Snap-shots of cluster growth: structure and properties of a Zintl ion with an Fe<sub>3</sub> core, [Fe<sub>3</sub>Sn<sub>18</sub>]<sup>4</sup>.","Chemical science","2024","15","3","1018","1026","10.1039/d3sc04709a","","x-ray","1.54184","CuKα","","0.0523","0.0428","","","0.1069","0.1116","","","","","","1.025","","","","has coordinates","289426","2024-02-04","11:33:40",""
"1570481","13.02736","0.00013","7.6261","0.00007","13.31312","0.00013","90","","97.9813","0.0009","90","","1309.82","0.02","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H33 N O4 -","- C32 H33 N O4 -","- C64 H66 N2 O8 -","2","1","","Han, Zhengyu; Zhu, Biao; Zang, Yu; Zhang, Chaoshen; Dong, Xiu-Qin; Huang, Hai; Sun, Jianwei","Primary activation of <i>para</i>-quinone methides by chiral phosphoric acid for enantioselective construction of tetraarylmethanes.","Chemical science","2024","15","2","720","725","10.1039/d3sc05014a","","x-ray","1.54184","CuKα","","0.0256","0.0247","","","0.0647","0.0652","","","","","","1.032","","","","has coordinates","289416","2024-02-04","11:31:26",""
"1570482","9.406","0.0002","11.1167","0.0002","15.5637","0.0003","75.81","0.002","72.977","0.002","66.135","0.002","1408.04","0.05","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H25 Al F6 N2 O6 S2 -","- C23 H25 Al F6 N2 O6 S2 -","- C46 H50 Al2 F12 N4 O12 S4 -","2","1","","Dissanayake, Deepamali; Draper, Alysia; Liu, Zhizhou; Jaunnoo, Neelofur; Haven, Joris J.; Forsyth, Craig; McKay, Alasdair I.; Junkers, Tanja; Vidović, Dragoslav","Lewis acid catalysed polymerisation of cyclopentenone.","Chemical science","2024","15","2","639","643","10.1039/d3sc05186b","","","1.54184","CuKα","","0.0455","0.0396","","","0.1015","0.1059","","","","","","1.05","","","","has coordinates","289422","2024-02-04","11:32:23",""
"1570483","20.7709","0.0003","10.3593","0.0001","13.0575","0.0002","90","","118.364","0.002","90","","2472.31","0.07","273","2","273","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19 H17 Al F6 N2 O6 S2 -","- C19 H17 Al F6 N2 O6 S2 -","- C76 H68 Al4 F24 N8 O24 S8 -","4","0.5","","Dissanayake, Deepamali; Draper, Alysia; Liu, Zhizhou; Jaunnoo, Neelofur; Haven, Joris J.; Forsyth, Craig; McKay, Alasdair I.; Junkers, Tanja; Vidović, Dragoslav","Lewis acid catalysed polymerisation of cyclopentenone.","Chemical science","2024","15","2","639","643","10.1039/d3sc05186b","","","1.54178","CuKα","","0.0449","0.0416","","","0.12","0.1235","","","","","","1.09","","","","has coordinates,has disorder","289422","2024-02-04","11:32:23",""
"1570484","6.2994","0.0001","22.3513","0.0004","14.5043","0.0002","90","","90.524","0.001","90","","2042.12","0.06","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H42 Al2 Cl4 N4 -","- C41 H42 Al2 Cl4 N4 -","- C82 H84 Al4 Cl8 N8 -","2","0.5","","Dissanayake, Deepamali; Draper, Alysia; Liu, Zhizhou; Jaunnoo, Neelofur; Haven, Joris J.; Forsyth, Craig; McKay, Alasdair I.; Junkers, Tanja; Vidović, Dragoslav","Lewis acid catalysed polymerisation of cyclopentenone.","Chemical science","2024","15","2","639","643","10.1039/d3sc05186b","","","1.54184","CuKα","","0.0517","0.0483","","","0.1346","0.1383","","","","","","1.071","","","","has coordinates,has disorder","289422","2024-02-04","11:32:23",""
"1570485","19.8087","0.0001","19.8087","0.0001","28.7268","0.0002","90","","90","","120","","9761.8","0.1","100","0.1","100","0.1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C96 H90 Fe6 In13 N12 O42 -","- C96 H90 Fe6 In13 N12 O42 -","- C288 H270 Fe18 In39 N36 O126 -","3","0.166667","","Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian","Aggregate assembly of ferrocene functionalized indium-oxo clusters.","Chemical science","2024","15","2","726","735","10.1039/d3sc05824g","","x-ray","1.3405","GaKα","","0.0676","0.0628","","","0.1894","0.1921","","","","","","1.117","","","","has coordinates","289423","2024-02-04","11:32:58",""
"1570486","19.6313","0.0008","22.929","0.0006","13.3713","0.0004","90","","95.854","0.003","90","","5987.4","0.3","99.99","0.1","99.99","0.1","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C68 H56 Cl2 Fe4 In13 N8 O38 -","- C68 H56 Cl2 Fe4 In13 N8 O38 -","- C136 H112 Cl4 Fe8 In26 N16 O76 -","2","0.25","","Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian","Aggregate assembly of ferrocene functionalized indium-oxo clusters.","Chemical science","2024","15","2","726","735","10.1039/d3sc05824g","","x-ray","1.3405","GaKα","","0.0539","0.0483","","","0.1318","0.1356","","","","","","1.05","","","","has coordinates","289423","2024-02-04","11:32:58",""
"1570487","21.2041","0.0003","25.0454","0.0003","13.8544","0.0002","90","","103.783","0.0015","90","","7145.74","0.17","179.97","0.1","179.97","0.1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C106 H86 Fe6 In13 O52 -","- C106 H86 Fe6 In13 O52 -","- C212 H172 Fe12 In26 O104 -","2","0.25","","Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian","Aggregate assembly of ferrocene functionalized indium-oxo clusters.","Chemical science","2024","15","2","726","735","10.1039/d3sc05824g","","x-ray","1.3405","Gakα","","0.0642","0.0576","","","0.1622","0.169","","","","","","1.062","","","","has coordinates,has disorder","289423","2024-02-04","11:32:58",""
"1570488","32.0443","0.0007","14.9493","0.0003","28.0793","0.0007","90","","94.153","0.002","90","","13415.8","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H78 Fe6 In13 O48 -","- C78 H78 Fe6 In13 O48 -","- C312 H312 Fe24 In52 O192 -","4","0.5","","Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian","Aggregate assembly of ferrocene functionalized indium-oxo clusters.","Chemical science","2024","15","2","726","735","10.1039/d3sc05824g","","x-ray","1.3405","GaKα","","0.0611","0.0457","","","0.1321","0.1396","","","","","","1.077","","","","has coordinates","289423","2024-02-04","11:32:58",""
"1570489","16.1506","0.0001","16.1506","0.0001","65.6859","0.0003","90","","90","","120","","14838.2","0.15","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C95 H66 Cl3 Fe6 In7 O28 P -","- C95 H65.9997 Cl3 Fe6 In7 O28 P -","- C570 H395.998 Cl18 Fe36 In42 O168 P6 -","6","0.333333","","Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian","Aggregate assembly of ferrocene functionalized indium-oxo clusters.","Chemical science","2024","15","2","726","735","10.1039/d3sc05824g","","x-ray","1.3405","GaKα","","0.0259","0.0241","","","0.0693","0.0701","","","","","","1.062","","","","has coordinates,has disorder","289423","2024-02-04","11:32:58",""
"1570490","35.1846","0.0004","35.1846","0.0004","15.853","0.0004","90","","90","","90","","19625.3","0.6","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C304 H216 Fe24 In28 N8 O116 -","- C304 H224 Fe24 In28 N8 O116 -","- C608 H448 Fe48 In56 N16 O232 -","2","0.25","","Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian","Aggregate assembly of ferrocene functionalized indium-oxo clusters.","Chemical science","2024","15","2","726","735","10.1039/d3sc05824g","","x-ray","1.3405","GaKα","","0.1105","0.0644","","","0.1758","0.2001","","","","","","1.013","","","","has coordinates","289423","2024-02-04","11:32:58",""
"1570491","25.3175","0.0003","25.3175","0.0003","29.8382","0.0004","90","","90","","120","","16563.2","0.4","100.01","0.1","100.01","0.1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C88 H84 Fe6 In7 N6 O28 -","- C88 H83.3637 Fe6 In7 N6 O28 -","- C528 H500.182 Fe36 In42 N36 O168 -","6","0.333333","","Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian","Aggregate assembly of ferrocene functionalized indium-oxo clusters.","Chemical science","2024","15","2","726","735","10.1039/d3sc05824g","","x-ray","1.3405","GaKα","","0.0472","0.045","","","0.1279","0.1297","","","","","","1.044","","","","has coordinates,has disorder","289423","2024-02-04","11:32:58",""
"1570492","27.37206","0.00019","15.00755","0.00012","31.8968","0.0003","90","","94.0511","0.0007","90","","13070.1","0.19","100.01","0.1","100.01","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C92 H96 Fe6 In13 N6 O46 -","- C92 H96 Fe6 In13 N6 O46 -","- C368 H384 Fe24 In52 N24 O184 -","4","0.5","","Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian","Aggregate assembly of ferrocene functionalized indium-oxo clusters.","Chemical science","2024","15","2","726","735","10.1039/d3sc05824g","","x-ray","1.3405","GaKα","","0.0685","0.0641","","","0.1829","0.1872","","","","","","1.082","","","","has coordinates","289423","2024-02-04","11:32:58",""
"1570493","15.4037","0.0002","20.7536","0.0003","25.173","0.0003","90","","93.511","0.001","90","","8032.26","0.18","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C120 H84 Fe12 In12 O60 -","- C120 H84 Fe12 In12 O60 -","- C240 H168 Fe24 In24 O120 -","2","0.5","","Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian","Aggregate assembly of ferrocene functionalized indium-oxo clusters.","Chemical science","2024","15","2","726","735","10.1039/d3sc05824g","","x-ray","0.71073","GaKα","","0.2289","0.212","","","0.5627","0.5776","","","","","","2.714","","","","has coordinates","289423","2024-02-04","11:32:58",""
"1570494","18.7431","0.0005","18.7639","0.0005","19.9485","0.0006","65.084","0.003","76.898","0.002","60.275","0.003","5524.1","0.3","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C48 H128 Cl11 Cu24 Gd6 N12 O138 -","- C48 H128 Cl11 Cu24 Gd6 N12 O138 -","- C48 H128 Cl11 Cu24 Gd6 N12 O138 -","1","0.5","","Chen, Jia-Nan; Pan, Zhong-Hua; Qiu, Qi-Hao; Wang, Cheng; Long, La-Sheng; Zheng, Lan-Sun; Kong, Xiang-Jian","Soluble Gd<sub>6</sub>Cu<sub>24</sub> clusters: effective molecular electrocatalysts for water oxidation.","Chemical science","2024","15","2","511","515","10.1039/d3sc05849b","","x-ray","1.54184","CuKα","","0.0596","0.0542","","","0.1395","0.1447","","","","","","1.039","","","","has coordinates,has disorder","289421","2024-02-04","11:32:16",""
"1570495","20.0889","0.0006","20.0889","0.0006","57.4977","0.0009","90","","90","","120","","20095.3","0.9","100.01","0.1","100.01","0.1","","","","","","","","7","R -3 :H","-R 3","148","","","","- C73 H156 Cl16 Cu24 Gd6 N36 O151 -","- C73 H156 Cl16 Cu24 Gd6 N36 O151 -","- C219 H468 Cl48 Cu72 Gd18 N108 O453 -","3","0.166667","","Chen, Jia-Nan; Pan, Zhong-Hua; Qiu, Qi-Hao; Wang, Cheng; Long, La-Sheng; Zheng, Lan-Sun; Kong, Xiang-Jian","Soluble Gd<sub>6</sub>Cu<sub>24</sub> clusters: effective molecular electrocatalysts for water oxidation.","Chemical science","2024","15","2","511","515","10.1039/d3sc05849b","","x-ray","1.54184","CuKα","","0.1122","0.092","","","0.2772","0.3022","","","","","","1.083","","","","has coordinates,has disorder","289421","2024-02-04","11:32:16",""
"1570496","6.2918","0.0001","7.9579","0.0001","37.036","0.0005","90","","90","","90","","1854.37","0.05","99.9","0.3","99.9","0.3","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O4 S2 -","- C19 H21 N O4 S2 -","- C76 H84 N4 O16 S8 -","4","1","","Lipilin, Dmitry L.; Zubkov, Mikhail O.; Kosobokov, Mikhail D.; Dilman, Alexander D.","Direct conversion of carboxylic acids to free thiols <i>via</i> radical relay acridine photocatalysis enabled by N-O bond cleavage.","Chemical science","2024","15","2","644","650","10.1039/d3sc05513b","","x-ray","1.54184","CuKα","","0.0481","0.0463","","","0.1209","0.1219","","","","","","1.086","","","","has coordinates","289417","2024-02-04","11:31:32",""
"1570497","21.7245","0.0004","8.151","0.0001","27.6097","0.0005","90","","108.074","0.002","90","","4647.79","0.14","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 Cl2 N3 O3 Pt -","- C24 H21 Cl2 N3 O3 Pt -","- C192 H168 Cl16 N24 O24 Pt8 -","8","2","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","1.54184","CuKα","","0.0666","0.0658","","","0.1669","0.1677","","","","","","1.047","","","","has coordinates","289429","2024-02-04","11:34:40",""
"1570498","12.139","0.002","6.8997","0.0013","22.664","0.004","90","","104.348","0.007","90","","1839","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 F2 N3 O2 Pt -","- C22 H15 F2 N3 O2 Pt -","- C88 H60 F8 N12 O8 Pt4 -","4","1","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","0.4119","Synchrotron","","0.017","0.0168","","","0.0457","0.0459","","","","","","1.063","","","","has coordinates","289429","2024-02-04","11:34:40",""
"1570499","12.577","0.013","8.202","0.005","20.223","0.012","90","","103.1","0.02","90","","2032","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N3 O2 Pt S -","- C24 H17 N3 O2 Pt S -","- C96 H68 N12 O8 Pt4 S4 -","4","1","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","0.4118","Synchrotron","","0.0254","0.0244","","","0.0653","0.0661","","","","","","1.047","","","","has coordinates","289429","2024-02-04","11:34:40",""
"1570500","8.5147","0.0002","16.3288","0.0004","28.9929","0.0008","90","","97.377","0.002","90","","3997.66","0.18","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H61 Cl N4 O3 Pt -","- C42 H61 Cl N4 O3 Pt -","- C168 H244 Cl4 N16 O12 Pt4 -","4","1","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","0.81082","Synchrotron","","0.094","0.0805","","","0.1908","0.202","","","","","","1.075","","","","has coordinates","289429","2024-02-04","11:34:40",""
"1570501","29.7626","0.0016","5.095","0.0003","25.3909","0.0013","90","","98.831","0.007","90","","3804.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N3 O2.5 Pt -","- C24 H18 N3 O2.5 Pt -","- C192 H144 N24 O20 Pt8 -","8","2","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","0.4119","Synchrotron","","0.02","0.0198","","","0.0517","0.0519","","","","","","1.114","","","","has coordinates","289429","2024-02-04","11:34:40",""
"1570502","20.783","0.005","23.203","0.006","22.652","0.005","90","","90.778","0.004","90","","10922","5","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C114 H122 Cl7 N13 O12 Pt4 -","- C114 H122 Cl7 N13 O12 Pt4 -","- C456 H488 Cl28 N52 O48 Pt16 -","4","0.5","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","0.81082","Synchrotron","","0.0869","0.0739","","","0.1995","0.2118","","","","","","1.075","","","","has coordinates,has disorder","289429","2024-02-04","11:34:40",""
"1570503","28.1013","0.0006","8.2546","0.0002","17.2008","0.0004","90","","90","","90","","3989.98","0.16","90","2","90","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C41 H55 Cl3 N4 O2 Pt -","- C41 H55 Cl3 N4 O2 Pt -","- C164 H220 Cl12 N16 O8 Pt4 -","4","1","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","0.81106","Synchrotron","","0.049","0.0466","","","0.106","0.1074","","","","","","1.144","","","","has coordinates","289429","2024-02-04","11:34:40",""
"1570504","21.437","0.003","8.3346","0.0012","22.655","0.004","90","","90","","90","","4047.7","1.1","90","2","90","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C42 H61 Cl N4 O2 Pt -","- C42 H61 Cl N4 O2 Pt -","- C168 H244 Cl4 N16 O8 Pt4 -","4","1","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","0.71073","MoKα","","0.059","0.0528","","","0.1375","0.142","","","","","","1.004","","","","has coordinates","289429","2024-02-04","11:34:40",""
"1570505","16.8798","0.0014","16.7488","0.0014","29.324","0.003","90","","98.644","0.002","90","","8196.2","1.3","90","2","90","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C39.67 H54.34 Cl2.67 F2 N4 O2 Pt -","- C39.6715 H54.343 Cl2.6715 F2 N4 O2 Pt -","- C317.372 H434.744 Cl21.372 F16 N32 O16 Pt8 -","8","4","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","0.81082","Synchrotron","","0.0653","0.0593","","","0.1523","0.1592","","","","","","1.065","","","","has coordinates","289429","2024-02-04","11:34:40",""
"1570506","17.716","0.008","17.001","0.007","27.332","0.012","90","","90","","90","","8232","6","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H57 Cl3 N4 O2 Pt -","- C42 H57 Cl3 N4 O2 Pt -","- C336 H456 Cl24 N32 O16 Pt8 -","8","1","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","0.71073","MoKα","","0.125","0.0964","","","0.2422","0.2688","","","","","","1.026","","","","has coordinates,has disorder","289429","2024-02-04","11:34:40",""
"1570507","13.5379","0.0002","18.5737","0.0003","19.8643","0.0003","62.469","0.002","72.905","0.001","86.326","0.001","4218.34","0.14","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H70 Au Cl9 N10 O4 Pt2 -","- C96 H70 Au Cl9 N10 O4 Pt2 -","- C192 H140 Au2 Cl18 N20 O8 Pt4 -","2","1","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","1.54184","CuKα","","0.0452","0.0385","","","0.1099","0.1136","","","","","","1.006","","","","has coordinates,has disorder","289429","2024-02-04","11:34:40",""
"1570508","47.3103","0.0011","8.5434","0.0002","21.0894","0.0005","90","","96.468","0.002","90","","8469.9","0.3","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42.95 H60.9 Cl1.95 F2 N4 O2 Pt -","- C42.95 H60.9 Cl1.95 F2 N4 O2 Pt -","- C343.6 H487.2 Cl15.6 F16 N32 O16 Pt8 -","8","1","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","0.81082","Synchrotron","","0.0521","0.0505","","","0.1285","0.1296","","","","","","1.117","","","","has coordinates,has disorder","289429","2024-02-04","11:34:40",""
"1570509","22.024","0.002","22.024","0.002","21.509","0.002","90","","90","","90","","10433.1","1.7","90","2","90","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C112 H116 Cl13 N13 O12 Pt4 -","- C108 H112 Cl N13 O12 Pt4 -","- C432 H448 Cl4 N52 O48 Pt16 -","4","0.25","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","0.81082","Synchrotron","","0.136","0.1029","","","0.2296","0.2525","","","","","","1.173","","","","has coordinates","289429","2024-02-04","11:34:40",""
"1570510","15.447","0.002","5.8857","0.0006","29.629","0.004","90","","91.258","0.005","90","","2693.1","0.6","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","S5","S5","","- C60 H46 N4 -","- C60 H46 N4 -","- C120 H92 N8 -","2","0.5","","Wang, Hui; Liu, Hui; Wang, Mingsen; Hou, Jiaheng; Li, Yongjun; Wang, Yuancheng; Zhao, Yingjie","Cucurbituril-based supramolecular host-guest complexes: single-crystal structures and dual-state fluorescence enhancement.","Chemical science","2024","15","2","458","465","10.1039/d3sc04813f","","x-ray","0.71073","MoKα","","0.1365","0.0714","","","0.1903","0.235","","","","","","1.011","","","","has coordinates","289418","2024-02-04","11:31:45",""
"1570511","13.107","0.0007","17.0258","0.001","25.9476","0.0013","75.072","0.005","85.004","0.004","77.546","0.005","5460.3","0.5","170","2","170","2","","","","","","","","5","P -1","-P 1","2","M1_CB[7]","M1_CB[7]","","- C148 H142 I4 N60 O28 -","- C148 H142 I4 N60 O28 -","- C148 H142 I4 N60 O28 -","1","0.5","","Wang, Hui; Liu, Hui; Wang, Mingsen; Hou, Jiaheng; Li, Yongjun; Wang, Yuancheng; Zhao, Yingjie","Cucurbituril-based supramolecular host-guest complexes: single-crystal structures and dual-state fluorescence enhancement.","Chemical science","2024","15","2","458","465","10.1039/d3sc04813f","","","1.54184","CuKα","","0.2256","0.1841","","","0.3377","0.3531","","","","","","1.045","","","","has coordinates","289418","2024-02-04","11:31:46",""
"1570512","18.6227","0.0004","18.6227","0.0004","90.614","0.003","90","","90","","90","","31425.4","1.4","220","2","220","2","","","","","","","","5","P -4 2 c","P -4 2c","112","M1_CB[8]","M1_CB[8]","","- C160 H150 I4 N68 O32 -","- C160 H150 I3.999 N68 O32 -","- C640 H600 I15.996 N272 O128 -","4","0.5","","Wang, Hui; Liu, Hui; Wang, Mingsen; Hou, Jiaheng; Li, Yongjun; Wang, Yuancheng; Zhao, Yingjie","Cucurbituril-based supramolecular host-guest complexes: single-crystal structures and dual-state fluorescence enhancement.","Chemical science","2024","15","2","458","465","10.1039/d3sc04813f","","x-ray","0.71073","MoKα","","0.1406","0.088","","","0.2464","0.2812","","","","","","1.049","","","","has coordinates,has disorder","289418","2024-02-04","11:31:46",""
"1570520","9.3561","0.0001","12.3477","0.0002","18.1889","0.0003","90","","90","","90","","2101.3","0.05","296.15","","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H28 Cl6 In N3 O -","- C10 H28 Cl6 In N3 O -","- C40 H112 Cl24 In4 N12 O4 -","4","1","","Li, Dong-Yang; Kang, Huai-Yuan; Liu, Yu-Hang; Zhang, Jie; Yue, Cheng-Yang; Yan, Dongpeng; Lei, Xiao-Wu","A 0D hybrid lead-free halide with near-unity photoluminescence quantum yield toward multifunctional optoelectronic applications.","Chemical science","2024","15","3","953","963","10.1039/d3sc05245a","","","0.71073","MoKα","","0.0276","0.0237","","","0.0543","0.0558","","","","","","1.0168","","","","has coordinates","289428","2024-02-04","11:34:07",""
"1570521","35.662","0.002","8.8757","0.0006","15.3809","0.0009","90","","90","","90","","4868.4","0.5","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C13 H25 F6 Fe N3 O7 S2 -","- C13 H25 F6 Fe N3 O7 S2 -","- C104 H200 F48 Fe8 N24 O56 S16 -","8","1","","Devi, Tarali; Dutta, Kuheli; Deutscher, Jennifer; Mebs, Stefan; Kuhlmann, Uwe; Haumann, Michael; Cula, Beatrice; Dau, Holger; Hildebrandt, Peter; Ray, Kallol","A high-spin alkylperoxo-iron(iii) complex with <i>cis</i>-anionic ligands: implications for the superoxide reductase mechanism.","Chemical science","2024","15","2","528","533","10.1039/d3sc05603a","","","0.71073","MoKα","","0.076","0.0417","","","0.0803","0.0901","","","","","","1.017","","","","has coordinates","289419","2024-02-04","11:31:54",""
"1570522","10.6428","0.0018","16.779","0.002","18.282","0.003","109.298","0.005","101.65","0.006","92.667","0.006","2995.1","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C76.5 H72.5 N Ni O2 P -","- C76.5 H72.5 N Ni O2 P -","- C153 H145 N2 Ni2 O4 P2 -","2","1","","Birajdar, Rajkumar S.; Gonnade, Rajesh G.; Chikkali, Samir H.","Regulating the polyethylene microstructure by increasing steric crowding in naphthoxy imine-ligated Ni(ii) complexes","Polymer Chemistry","2024","15","4","292","302","10.1039/D3PY01010D","","","0.71073","MoKα","","0.0667","0.0545","","","0.14","0.1531","","","","","","1.053","","","","has coordinates","289647","2024-02-04","12:32:52",""
"1570523","11.4531","0.0019","13.695","0.002","14.417","0.003","77.01","0.006","66.853","0.005","71.002","0.005","1953.8","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H46 N Ni O P -","- C48 H46 N Ni O P -","- C96 H92 N2 Ni2 O2 P2 -","2","1","","Birajdar, Rajkumar S.; Gonnade, Rajesh G.; Chikkali, Samir H.","Regulating the polyethylene microstructure by increasing steric crowding in naphthoxy imine-ligated Ni(ii) complexes","Polymer Chemistry","2024","15","4","292","302","10.1039/D3PY01010D","","","0.71073","MoKα","","0.0722","0.0509","","","0.0825","0.0893","","","","","","1.068","","","","has coordinates,has disorder","289647","2024-02-04","12:32:52",""
"1570524","9.3181","0.0012","10.1498","0.0012","19.648","0.002","103.844","0.004","97.992","0.005","92.327","0.004","1781.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H40 N Ni O P -","- C45 H40 N Ni O P -","- C90 H80 N2 Ni2 O2 P2 -","2","1","","Birajdar, Rajkumar S.; Gonnade, Rajesh G.; Chikkali, Samir H.","Regulating the polyethylene microstructure by increasing steric crowding in naphthoxy imine-ligated Ni(ii) complexes","Polymer Chemistry","2024","15","4","292","302","10.1039/D3PY01010D","","","0.71073","MoKα","","0.0586","0.0385","","","0.0888","0.0979","","","","","","1.039","","","","has coordinates","289647","2024-02-04","12:32:52",""
"1570526","33.9435","0.0014","5.7917","0.0002","17.1106","0.0008","90","","102.733","0.002","90","","3281.1","0.2","193","2","193","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 O3 -","- C20 H20 O3 -","- C160 H160 O24 -","8","1","","Hou, Jingwei; Li, Xiaohong; Yan, Kaiyu; Zhang, Lei; Loh, Teck-Peng; Xie, Peizhong","Uracil-Cu(i) catalyst: allylation of cyclopropanols with Morita-Baylis-Hillman alcohols under water-tolerant conditions.","Chemical science","2024","15","3","1143","1149","10.1039/d3sc04890j","","","0.71073","MoKα","","0.0632","0.045","","","0.0995","0.1099","","","","","","1.02","","","","has coordinates","289432","2024-02-04","11:35:10",""
"1570527","23.6994","0.0002","8.0465","0.0001","33.4683","0.0002","90","","99.912","0.001","90","","6287.04","0.1","173","2","173","2","","","","","","","synthesis as described","7","I 1 2/a 1","-I 2ya","15","","","","- C30 H31 B F4 Mn N5 O3 -","- C30 H31 B F4 Mn N5 O3 -","- C240 H248 B8 F32 Mn8 N40 O24 -","8","1","","Gulyaeva, Ekaterina S.; Osipova, Elena S.; Kovalenko, Sergey A.; Filippov, Oleg A.; Belkova, Natalia V.; Vendier, Laure; Canac, Yves; Shubina, Elena S.; Valyaev, Dmitry A.","Two active species from a single metal halide precursor: a case study of highly productive Mn-catalyzed dehydrogenation of amine-boranes <i>via</i> intermolecular bimetallic cooperation.","Chemical science","2024","15","4","1409","1417","10.1039/d3sc05356c","","x-ray","1.54184","CuKα","","0.0387","0.0365","","","0.1003","0.1023","","","","","","1.042","","","","has coordinates","289406","2024-02-04","11:29:51",""
"1570528","19.766","0.008","15.67","0.006","17.052","0.007","90","","95.937","0.014","90","","5253","4","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H62 B2 Cl2 Mn N5 O3 -","- C56 H62 B2 Cl2 Mn N5 O3 -","- C224 H248 B8 Cl8 Mn4 N20 O12 -","4","1","","Gulyaeva, Ekaterina S.; Osipova, Elena S.; Kovalenko, Sergey A.; Filippov, Oleg A.; Belkova, Natalia V.; Vendier, Laure; Canac, Yves; Shubina, Elena S.; Valyaev, Dmitry A.","Two active species from a single metal halide precursor: a case study of highly productive Mn-catalyzed dehydrogenation of amine-boranes <i>via</i> intermolecular bimetallic cooperation.","Chemical science","2024","15","4","1409","1417","10.1039/d3sc05356c","","x-ray","0.71073","MoKα","","0.0553","0.0444","","","0.1112","0.1186","","","","","","1.051","","","","has coordinates","289406","2024-02-04","11:29:52",""
"1570529","12.8509","0.0002","12.404","0.0002","21.802","0.0004","90","","90","","90","","3475.29","0.1","150","2","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H16 S3 Si -","- C19 H16 S3 Si -","- C152 H128 S24 Si8 -","8","1","","Sun, Zhen; Xu, Wan; Qiu, Shuai; Ma, Zhiying; Li, Chunli; Zhang, Sheng; Wang, Hua","Thia[<i>n</i>]helicenes with long persistent phosphorescence.","Chemical science","2024","15","3","1077","1087","10.1039/d3sc05480b","","","0.71073","MoKα","","0.0401","0.0304","","","0.0714","0.0774","","","","","","1.042","","","","has coordinates","289434","2024-02-04","11:36:01",""
"1570530","7.373","0.004","8.088","0.005","14.38","0.008","94.58","0.02","99.657","0.016","114.95","0.02","755.5","0.8","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 S3 Si -","- C15 H14 S3 Si -","- C30 H28 S6 Si2 -","2","1","","Sun, Zhen; Xu, Wan; Qiu, Shuai; Ma, Zhiying; Li, Chunli; Zhang, Sheng; Wang, Hua","Thia[<i>n</i>]helicenes with long persistent phosphorescence.","Chemical science","2024","15","3","1077","1087","10.1039/d3sc05480b","","","0.71073","MoKα","","0.1095","0.0999","","","0.2545","0.2673","","","","","","1.159","","","","has coordinates","289434","2024-02-04","11:36:01",""
"1570531","14.2989","0.0003","12.2575","0.0002","12.9384","0.0002","90","","96.91","0.001","90","","2251.23","0.07","150","2","149.98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 S3 Si -","- C27 H20 S3 Si -","- C108 H80 S12 Si4 -","4","1","","Sun, Zhen; Xu, Wan; Qiu, Shuai; Ma, Zhiying; Li, Chunli; Zhang, Sheng; Wang, Hua","Thia[<i>n</i>]helicenes with long persistent phosphorescence.","Chemical science","2024","15","3","1077","1087","10.1039/d3sc05480b","","","0.71073","MoKα","","0.0353","0.0293","","","0.0759","0.0805","","","","","","1.036","","","","has coordinates","289434","2024-02-04","11:36:01",""
"1570532","21.1138","0.0008","7.7627","0.0002","24.2285","0.0008","90","","90","","90","","3971.1","0.2","150","2","149.97","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H18 S3 Si -","- C23 H18 S3 Si -","- C184 H144 S24 Si8 -","8","1","","Sun, Zhen; Xu, Wan; Qiu, Shuai; Ma, Zhiying; Li, Chunli; Zhang, Sheng; Wang, Hua","Thia[<i>n</i>]helicenes with long persistent phosphorescence.","Chemical science","2024","15","3","1077","1087","10.1039/d3sc05480b","","","0.71073","MoKα","","0.059","0.045","","","0.1133","0.1254","","","","","","1.038","","","","has coordinates","289434","2024-02-04","11:36:01",""
"1570533","6.00483","0.00006","7.13118","0.0001","37.8376","0.0004","90","","91.6595","0.0009","90","","1619.58","0.03","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 O -","- C20 H18 N2 O -","- C80 H72 N8 O4 -","4","1","","Zhao, Yuanyuan; Li, Xinyue; Homölle, Simon L; Wang, Bin; Ackermann, Lutz","Electrochemical assembly of isoxazoles <i>via</i> a four-component domino reaction.","Chemical science","2024","15","3","1117","1122","10.1039/d3sc05946d","","x-ray","1.54184","CuKα","","0.0451","0.043","","","0.1216","0.1241","","","","","","1.04","","","","has coordinates","289430","2024-02-04","11:34:48",""
"1570534","7.6734","0.0002","11.85","0.0003","13.3321","0.0003","104.364","0.002","97.514","0.002","93.655","0.002","1158.45","0.05","100","0.13","100","0.13","","","","","","","","7","P -1","-P 1","2","","","","- C18 H14 Br Mn N2 O3 S -","- C18 H14 Br Mn N2 O3 S -","- C36 H28 Br2 Mn2 N4 O6 S2 -","2","1","","Das, Kuhali; Kundu, Abhishek; Sarkar, Koushik; Adhikari, Debashis; Maji, Biplab","Catalytic acceptorless dehydrogenative borylation of styrenes enabled by a molecularly defined manganese complex.","Chemical science","2024","15","3","1098","1105","10.1039/d3sc05523j","","x-ray","1.54184","CuKα","","0.0426","0.0398","","","0.1099","0.1128","","","","","","1.065","","","","has coordinates","289433","2024-02-04","11:35:25",""
"1570535","13.2068","0.0004","15.5782","0.0005","9.4496","0.0003","90","","98.364","0.003","90","","1923.47","0.11","106","9","106","9","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Manganesepentacarbonylbromidequinolinethiophene","","- C19 H16 Br Mn N2 O3 S -","- C19 H16 Br Mn N2 O3 S -","- C76 H64 Br4 Mn4 N8 O12 S4 -","4","1","","Das, Kuhali; Kundu, Abhishek; Sarkar, Koushik; Adhikari, Debashis; Maji, Biplab","Catalytic acceptorless dehydrogenative borylation of styrenes enabled by a molecularly defined manganese complex.","Chemical science","2024","15","3","1098","1105","10.1039/d3sc05523j","","x-ray","0.71073","MoKα","","0.0586","0.0504","","","0.1353","0.1398","","","","","","1.051","","","","has coordinates","289433","2024-02-04","11:35:26",""
"1570536","6.0499","0.0006","10.3177","0.0009","16.6641","0.0015","101.437","0.007","92.135","0.006","101.786","0.007","994.76","0.16","271.55","","271.55","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C42 H52 N4 O6 -","2","1","","Hasebe, Shodai; Hagiwara, Yuki; Ueno, Takashi; Asahi, Toru; Koshima, Hideko","Negative to positive axial thermal expansion switching of an organic crystal: contribution to multistep photoactuation.","Chemical science","2024","15","3","1088","1097","10.1039/d3sc04796b","","","1.54187","CuKα","","0.1085","0.072","","","0.1685","0.1885","","","","","","1.1","","","","has coordinates,has disorder","289431","2024-02-04","11:35:01",""
"1570537","6.0419","0.0006","10.3191","0.0011","16.7479","0.0018","101.248","0.007","92.177","0.006","101.546","0.007","1000.17","0.19","288.35","","288.35","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C42 H52 N4 O6 -","2","1","","Hasebe, Shodai; Hagiwara, Yuki; Ueno, Takashi; Asahi, Toru; Koshima, Hideko","Negative to positive axial thermal expansion switching of an organic crystal: contribution to multistep photoactuation.","Chemical science","2024","15","3","1088","1097","10.1039/d3sc04796b","","","1.54187","CuKα","","0.1169","0.0745","","","0.1729","0.195","","","","","","1.086","","","","has coordinates,has disorder","289431","2024-02-04","11:35:01",""
"1570538","6.0399","0.0007","10.3202","0.0011","16.7772","0.0018","101.178","0.007","92.181","0.006","101.469","0.007","1002.25","0.19","296.75","","296.75","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C42 H52 N4 O6 -","2","1","","Hasebe, Shodai; Hagiwara, Yuki; Ueno, Takashi; Asahi, Toru; Koshima, Hideko","Negative to positive axial thermal expansion switching of an organic crystal: contribution to multistep photoactuation.","Chemical science","2024","15","3","1088","1097","10.1039/d3sc04796b","","","1.54187","CuKα","","0.1222","0.0797","","","0.182","0.2019","","","","","","1.149","","","","has coordinates,has disorder","289431","2024-02-04","11:35:01",""
"1570539","6.0394","0.0008","10.3207","0.0013","16.801","0.002","101.124","0.007","92.18","0.006","101.408","0.007","1004.1","0.2","305.15","","305.15","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C42 H52 N4 O6 -","2","1","","Hasebe, Shodai; Hagiwara, Yuki; Ueno, Takashi; Asahi, Toru; Koshima, Hideko","Negative to positive axial thermal expansion switching of an organic crystal: contribution to multistep photoactuation.","Chemical science","2024","15","3","1088","1097","10.1039/d3sc04796b","","","1.54187","CuKα","","0.1284","0.0802","","","0.1901","0.2133","","","","","","1.12","","","","has coordinates,has disorder","289431","2024-02-04","11:35:01",""
"1570540","6.0405","0.0008","10.323","0.0013","16.826","0.002","101.079","0.007","92.174","0.006","101.364","0.007","1006.3","0.2","313.55","","313.55","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C42 H52 N4 O6 -","2","1","","Hasebe, Shodai; Hagiwara, Yuki; Ueno, Takashi; Asahi, Toru; Koshima, Hideko","Negative to positive axial thermal expansion switching of an organic crystal: contribution to multistep photoactuation.","Chemical science","2024","15","3","1088","1097","10.1039/d3sc04796b","","","1.54187","CuKα","","0.1342","0.0823","","","0.1982","0.2249","","","","","","1.094","","","","has coordinates,has disorder","289431","2024-02-04","11:35:01",""
"1570541","6.0445","0.0009","10.33","0.0014","16.853","0.002","101.035","0.007","92.153","0.006","101.338","0.007","1009.6","0.2","321.95","","321.95","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C42 H52 N4 O6 -","2","1","","Hasebe, Shodai; Hagiwara, Yuki; Ueno, Takashi; Asahi, Toru; Koshima, Hideko","Negative to positive axial thermal expansion switching of an organic crystal: contribution to multistep photoactuation.","Chemical science","2024","15","3","1088","1097","10.1039/d3sc04796b","","","1.54187","CuKα","","0.1424","0.0861","","","0.2163","0.2458","","","","","","1.094","","","","has coordinates,has disorder","289431","2024-02-04","11:35:01",""
"1570542","6.0455","0.0006","10.3195","0.001","16.7114","0.0017","101.333","0.007","92.155","0.006","101.65","0.007","997.93","0.18","279.95","","279.95","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C42 H52 N4 O6 -","2","1","","Hasebe, Shodai; Hagiwara, Yuki; Ueno, Takashi; Asahi, Toru; Koshima, Hideko","Negative to positive axial thermal expansion switching of an organic crystal: contribution to multistep photoactuation.","Chemical science","2024","15","3","1088","1097","10.1039/d3sc04796b","","","1.54187","CuKα","","0.1131","0.0738","","","0.1741","0.1973","","","","","","1.107","","","","has coordinates,has disorder","289431","2024-02-04","11:35:01",""
"1570543","6.0467","0.001","10.3324","0.0017","16.871","0.003","101","0.007","92.143","0.006","101.307","0.007","1011.5","0.3","330.35","","330.35","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C42 H52 N4 O6 -","2","1","","Hasebe, Shodai; Hagiwara, Yuki; Ueno, Takashi; Asahi, Toru; Koshima, Hideko","Negative to positive axial thermal expansion switching of an organic crystal: contribution to multistep photoactuation.","Chemical science","2024","15","3","1088","1097","10.1039/d3sc04796b","","","1.54187","CuKα","","0.1427","0.0865","","","0.2088","0.2395","","","","","","1.08","","","","has coordinates,has disorder","289431","2024-02-04","11:35:01",""
"1570544","9.6712","0.0002","10.1319","0.0002","25.4616","0.0004","90","","96.565","0.002","90","","2478.56","0.08","123.15","","123.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","methyl 2-((diphenylmethylene)amino)-3-(1-methylcyclohexyl)-2-(p-tolyl)propanoate","","- C31 H35 N O2 -","- C31 H35 N O2 -","- C124 H140 N4 O8 -","4","1","","Okumatsu, Daichi; Kiyokawa, Kensuke; Bao Nguyen, Linh Tran; Abe, Manabu; Minakata, Satoshi","Photoexcitation of (diarylmethylene)amino benziodoxolones for alkylamination of styrene derivatives with carboxylic acids.","Chemical science","2024","15","3","1068","1076","10.1039/d3sc06090j","","x-ray","1.54184","CuKα","","0.0433","0.0406","","","0.106","0.1086","","","","","","1.046","","","","has coordinates","289427","2024-02-04","11:33:53",""
"1570545","9.0767","0.0001","10.2335","0.0002","25.6684","0.0003","90","","96.542","0.001","90","","2368.72","0.06","123.15","","123.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","methyl 2-((diphenylmethylene)amino)-4,4-dimethyl-2-(p-tolyl)pentanoate","","- C28 H31 N O2 -","- C28 H31 N O2 -","- C112 H124 N4 O8 -","4","1","","Okumatsu, Daichi; Kiyokawa, Kensuke; Bao Nguyen, Linh Tran; Abe, Manabu; Minakata, Satoshi","Photoexcitation of (diarylmethylene)amino benziodoxolones for alkylamination of styrene derivatives with carboxylic acids.","Chemical science","2024","15","3","1068","1076","10.1039/d3sc06090j","","x-ray","1.54184","CuKα","","0.0472","0.0413","","","0.1051","0.1107","","","","","","1.056","","","","has coordinates,has disorder","289427","2024-02-04","11:33:53",""
"1570546","10.3382","0.0002","15.2358","0.0002","17.3918","0.0002","107.109","0.001","95.894","0.001","102.639","0.001","2513.4","0.07","123.15","","123.15","","","","","","","","","3","P -1","-P 1","2","","N-(2-(1-methylcyclohexyl)-1,1-di(pyridin-2-yl)ethyl)-1,1-diphenylmethanimine","","- C32 H33 N3 -","- C32 H33 N3 -","- C128 H132 N12 -","4","2","","Okumatsu, Daichi; Kiyokawa, Kensuke; Bao Nguyen, Linh Tran; Abe, Manabu; Minakata, Satoshi","Photoexcitation of (diarylmethylene)amino benziodoxolones for alkylamination of styrene derivatives with carboxylic acids.","Chemical science","2024","15","3","1068","1076","10.1039/d3sc06090j","","x-ray","1.54184","CuKα","","0.0477","0.0402","","","0.1011","0.1058","","","","","","1.038","","","","has coordinates","289427","2024-02-04","11:33:53",""
"1570547","10.232","0.003","10.735","0.004","16.557","0.008","85.248","0.014","72.999","0.017","74.424","0.014","1675.3","1.1","99.99","","99.99","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H26 Cl Cu N3 O4 S2 -","- C36 H26 Cl Cu N3 O4 S2 -","- C72 H52 Cl2 Cu2 N6 O8 S4 -","2","1","","Mandal, Mukunda; Buss, Joshua A.; Chen, Si-Jie; Cramer, Christopher J.; Stahl, Shannon S.","Mechanistic insights into radical formation and functionalization in copper/<i>N</i>-fluorobenzenesulfonimide radical-relay reactions.","Chemical science","2024","15","4","1364","1373","10.1039/d3sc03597b","","x-ray","0.71073","MoKα","K-L~3~","0.06","0.0397","","","0.0942","0.1009","","","","","","1.049","","","","has coordinates","289409","2024-02-04","11:30:21",""
"1570555","23.4819","0.0013","23.4819","0.0013","33.2671","0.0009","90","","90","","90","","18343.5","1.5","123","","123","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C70 H60 N2 O6 P2 Pt -","- C70 H60 N2 O6 P2 Pt -","- C560 H480 N16 O48 P16 Pt8 -","8","1","","Horiuchi, Takashi; Makino, Soya; Sano, Natsuhiro; Sogawa, Hiromitsu; Sanda, Fumio","Synthesis of geometry-controlled platinum-containing polymers bearing optically active bidentate phosphine ligands","Polymer Chemistry","2024","15","4","303","309","10.1039/D3PY01074K","","","0.71075","MoKα","","0.0976","0.05","","","0.1198","0.1365","","","","","","0.971","","","","has coordinates","289648","2024-02-04","12:33:01",""
"1570556","14.1876","0.0004","14.5939","0.0003","26.9748","0.0005","90","","90","","90","","5585.2","0.2","173","0.14","173","0.14","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H34 Fe N2 O2 Zn -","- C30 H34 Fe N2 O2 Zn -","- C240 H272 Fe8 N16 O16 Zn8 -","8","1","","Perez-Jimenez, Marina; Crimmin, Mark R.","Photochemical H<sub>2</sub> activation by an Zn-Fe heterometallic: a mechanistic investigation.","Chemical science","2024","15","4","1424","1430","10.1039/d3sc05966a","","x-ray","1.54184","CuKα","","0.06","0.041","","","0.0905","0.104","","","","","","1.034","","","","has coordinates","289407","2024-02-04","11:30:02",""
"1570557","10.6485","0.0009","15.0229","0.001","20.9423","0.0012","89.192","0.005","89.647","0.006","84.943","0.006","3336.8","0.4","172.95","0.1","172.95","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C71 H94 Fe2 N4 O3 Zn2 -","- C71 H94 Fe2 N4 O3 Zn2 -","- C142 H188 Fe4 N8 O6 Zn4 -","2","1","","Perez-Jimenez, Marina; Crimmin, Mark R.","Photochemical H<sub>2</sub> activation by an Zn-Fe heterometallic: a mechanistic investigation.","Chemical science","2024","15","4","1424","1430","10.1039/d3sc05966a","","x-ray","1.54184","CuKα","","0.0925","0.0541","","","0.1219","0.1452","","","","","","1.048","","","","has coordinates","289407","2024-02-04","11:30:03",""
"1570558","11.1406","0.0008","16.2422","0.0011","35.82","0.003","96.234","0.004","92.497","0.004","101.357","0.004","6303","0.8","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C185 H151 N3 -","- C185 H151 N3 -","- C370 H302 N6 -","2","1","","Ruan, Lan; Luo, Wanhua; Zhang, Haifan; Liu, Peng; Shi, Yong; An, Peng","Cycl[2,2,4]azine-embedded non-alternant nanographenes containing fused antiaromatic azepine ring.","Chemical science","2024","15","4","1511","1519","10.1039/d3sc05515a","","","1.54178","CuKα","","0.0951","0.0705","","","0.1929","0.2109","","","","","","1.073","","","","has coordinates,has disorder","289408","2024-02-04","11:30:14",""
"1570559","8.5075","0.0002","9.6128","0.0002","16.4841","0.0004","90","","90","","90","","1348.08","0.05","99.9","0.6","100.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N -","- C17 H18 N -","- C68 H72 N4 -","4","1","","Rago, Alexander J.; Ye, Rong; Liu, Xin; Dong, Guangbin","A four-component reaction to access 3,3-disubstituted indolines <i>via</i> the palladium-norbornene-catalyzed <i>ortho</i> amination/<i>ipso</i> conjunctive coupling.","Chemical science","2024","15","4","1318","1323","10.1039/d3sc06409c","","","1.54184","CuKα","","0.049","0.0454","","","0.1197","0.129","","","","","","1.083","","","","has coordinates,has disorder","289412","2024-02-04","11:30:49",""
"1570562","9.141","0.003","14.09","0.004","14.188","0.003","94.82","0.02","92.36","0.02","107.67","0.03","1730.7","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H36 Cl2 N10 Ni O S2 -","- C30 H36 Cl2 N10 Ni O S2 -","- C60 H72 Cl4 N20 Ni2 O2 S4 -","2","1","","Dharmasivam, Mahendiran; Kaya, Busra; Wijesinghe, Tharushi P.; Richardson, Vera; Harmer, Jeffrey R.; Gonzalvez, Miguel A.; Lewis, William; Azad, Mahan Gholam; Bernhardt, Paul V.; Richardson, Des R.","Differential transmetallation of complexes of the anti-cancer thiosemicarbazone, Dp4e4mT: effects on anti-proliferative efficacy, redox activity, oxy-myoglobin and oxy-hemoglobin oxidation.","Chemical science","2024","15","3","974","990","10.1039/d3sc05723b","","x-ray","1.54184","CuKα","","0.2326","0.1045","","","0.2267","0.2878","","","","","","0.967","","","","has coordinates","289425","2024-02-04","11:33:33",""
"1570563","9.5625","0.0003","13.6735","0.0004","13.8397","0.0005","73.376","0.003","77.366","0.003","86.693","0.003","1691.94","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H35 Cl Cu N10 O5 S2 -","- C30 H35 Cl Cu N10 O5 S2 -","- C60 H70 Cl2 Cu2 N20 O10 S4 -","2","1","","Dharmasivam, Mahendiran; Kaya, Busra; Wijesinghe, Tharushi P.; Richardson, Vera; Harmer, Jeffrey R.; Gonzalvez, Miguel A.; Lewis, William; Azad, Mahan Gholam; Bernhardt, Paul V.; Richardson, Des R.","Differential transmetallation of complexes of the anti-cancer thiosemicarbazone, Dp4e4mT: effects on anti-proliferative efficacy, redox activity, oxy-myoglobin and oxy-hemoglobin oxidation.","Chemical science","2024","15","3","974","990","10.1039/d3sc05723b","","x-ray","1.54184","CuKα","K-L~2,3~","0.0467","0.0406","","","0.1087","0.1148","","","","","","1.026","","","","has coordinates,has disorder","289425","2024-02-04","11:33:33",""
"1570564","10.7315","0.001","10.8268","0.0012","14.7436","0.0013","109.844","0.009","91.411","0.007","103.463","0.009","1556.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 N10 S2 Zn -","- C30 H32 N10 S2 Zn -","- C60 H64 N20 S4 Zn2 -","2","1","","Dharmasivam, Mahendiran; Kaya, Busra; Wijesinghe, Tharushi P.; Richardson, Vera; Harmer, Jeffrey R.; Gonzalvez, Miguel A.; Lewis, William; Azad, Mahan Gholam; Bernhardt, Paul V.; Richardson, Des R.","Differential transmetallation of complexes of the anti-cancer thiosemicarbazone, Dp4e4mT: effects on anti-proliferative efficacy, redox activity, oxy-myoglobin and oxy-hemoglobin oxidation.","Chemical science","2024","15","3","974","990","10.1039/d3sc05723b","","x-ray","1.54184","CuKα","","0.0408","0.0362","","","0.0938","0.0969","","","","","","1.054","","","","has coordinates,has disorder","289425","2024-02-04","11:33:33",""
"1570565","8.7832","0.0003","11.7181","0.0003","17.1171","0.0004","92.486","0.002","102.138","0.002","94.766","0.002","1713.04","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Ga(Dp4e4mT)2","","- C30 H34 Ga N11 O4 S2 -","- C30 H32 Ga N11.004 O4.013 S2 -","- C60 H64 Ga2 N22.008 O8.026 S4 -","2","1","","Dharmasivam, Mahendiran; Kaya, Busra; Wijesinghe, Tharushi P.; Richardson, Vera; Harmer, Jeffrey R.; Gonzalvez, Miguel A.; Lewis, William; Azad, Mahan Gholam; Bernhardt, Paul V.; Richardson, Des R.","Differential transmetallation of complexes of the anti-cancer thiosemicarbazone, Dp4e4mT: effects on anti-proliferative efficacy, redox activity, oxy-myoglobin and oxy-hemoglobin oxidation.","Chemical science","2024","15","3","974","990","10.1039/d3sc05723b","","x-ray","1.54184","CuKα","","0.0497","0.0432","","","0.1204","0.1265","","","","","","1.042","","","","has coordinates,has disorder","289425","2024-02-04","11:33:33",""
"1570566","22.7746","0.0012","14.2349","0.0007","23.3316","0.0009","90","","91.509","0.004","90","","7561.3","0.6","190","2","190","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H38 Cl Co N10 O2 S2 -","- C31 H38 Cl Co N10 O2 S2 -","- C248 H304 Cl8 Co8 N80 O16 S16 -","8","1","","Dharmasivam, Mahendiran; Kaya, Busra; Wijesinghe, Tharushi P.; Richardson, Vera; Harmer, Jeffrey R.; Gonzalvez, Miguel A.; Lewis, William; Azad, Mahan Gholam; Bernhardt, Paul V.; Richardson, Des R.","Differential transmetallation of complexes of the anti-cancer thiosemicarbazone, Dp4e4mT: effects on anti-proliferative efficacy, redox activity, oxy-myoglobin and oxy-hemoglobin oxidation.","Chemical science","2024","15","3","974","990","10.1039/d3sc05723b","","x-ray","1.54184","CuKα","","0.0934","0.0792","","","0.2323","0.2456","","","","","","1.042","","","","has coordinates","289425","2024-02-04","11:33:33",""
"1570567","10.0507","0.0003","10.5184","0.0003","17.5993","0.0004","73.219","0.002","81.923","0.002","69.997","0.003","1672.06","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H16 Cl N5 Pd S -","- C15 H16 Cl N5 Pd S -","- C60 H64 Cl4 N20 Pd4 S4 -","4","2","","Dharmasivam, Mahendiran; Kaya, Busra; Wijesinghe, Tharushi P.; Richardson, Vera; Harmer, Jeffrey R.; Gonzalvez, Miguel A.; Lewis, William; Azad, Mahan Gholam; Bernhardt, Paul V.; Richardson, Des R.","Differential transmetallation of complexes of the anti-cancer thiosemicarbazone, Dp4e4mT: effects on anti-proliferative efficacy, redox activity, oxy-myoglobin and oxy-hemoglobin oxidation.","Chemical science","2024","15","3","974","990","10.1039/d3sc05723b","","x-ray","1.54184","CuKα","","0.0343","0.0307","","","0.0803","0.083","","","","","","1.059","","","","has coordinates","289425","2024-02-04","11:33:33",""
"1570572","18.1753","0.0003","22.3961","0.0003","29.9843","0.0006","90","","90","","90","","12205.3","0.4","150","","150","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C59 H104 K La Si4 -","- C55.5 H100 K La Si4 -","- C444 H800 K8 La8 Si32 -","8","1","","Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W.","It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers.","Chemical science","2024","15","4","1338","1347","10.1039/d3sc03746k","","x-ray","0.71073","MoKα","","0.0509","0.0428","","","0.1151","0.1184","","","","","","1.039","","","","has coordinates,has disorder","289405","2024-02-04","11:29:31",""
"1570573","18.1753","0.0003","22.3961","0.0003","29.9843","0.0006","90","","90","","90","","12205.3","0.4","150","","150","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C55.5 H100 Ce K Si4 -","- C55.5 H100 Ce K Si4 -","- C444 H800 Ce8 K8 Si32 -","8","1","","Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W.","It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers.","Chemical science","2024","15","4","1338","1347","10.1039/d3sc03746k","","x-ray","0.71073","MoKα","","0.0338","0.0287","","","0.0665","0.0685","","","","","","1.026","","","","has coordinates,has disorder","289405","2024-02-04","11:29:32",""
"1570574","14.8785","0.0008","17.3956","0.0007","21.4878","0.0012","90","","97.196","0.004","90","","5517.7","0.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H96 K Nd Si4 -","- C52 H96 K Nd Si4 -","- C208 H384 K4 Nd4 Si16 -","4","1","","Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W.","It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers.","Chemical science","2024","15","4","1338","1347","10.1039/d3sc03746k","","x-ray","0.71073","MoKα","","0.1061","0.0555","","","0.1191","0.1452","","","","","","1.027","","","","has coordinates","289405","2024-02-04","11:29:32",""
"1570575","14.9492","0.0004","17.4712","0.0005","21.5754","0.0005","90","","97.134","0.002","90","","5591.4","0.3","180","","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H96 K La Si4 -","- C52 H96 K La Si4 -","- C208 H384 K4 La4 Si16 -","4","1","","Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W.","It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers.","Chemical science","2024","15","4","1338","1347","10.1039/d3sc03746k","","x-ray","0.71073","MoKα","","0.075","0.0433","","","0.0967","0.1079","","","","","","1.019","","","","has coordinates","289405","2024-02-04","11:29:32",""
"1570576","14.9574","0.0004","17.5114","0.0004","21.5769","0.0005","90","","97.154","0.002","90","","5607.5","0.2","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H96 K Pr Si4 -","- C52 H96 K Pr Si4 -","- C208 H384 K4 Pr4 Si16 -","4","1","","Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W.","It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers.","Chemical science","2024","15","4","1338","1347","10.1039/d3sc03746k","","x-ray","0.71073","MoKα","","0.0743","0.0393","","","0.0684","0.0792","","","","","","1.065","","","","has coordinates","289405","2024-02-04","11:29:32",""
"1570577","16.0025","0.0003","32.4257","0.0007","46.6302","0.0007","90","","90","","90","","24196.1","0.8","150","","150","","","","","","","","","5","F 2 d d","F -2d 2","43","","","","- C59 H104 Er K Si4 -","- C59 H104 Er K Si4 -","- C944 H1664 Er16 K16 Si64 -","16","1","","Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W.","It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers.","Chemical science","2024","15","4","1338","1347","10.1039/d3sc03746k","","x-ray","0.71073","MoKα","","0.0282","0.0239","","","0.0585","0.0592","","","","","","1.003","","","","has coordinates,has disorder","289405","2024-02-04","11:29:32",""
"1570578","21.4286","0.0005","15.456","0.0002","18.8223","0.0004","90","","102.374","0.002","90","","6089.1","0.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H101 Ce K O0.5 Si4 -","- C54 H101 Ce K O0.5 Si4 -","- C216 H404 Ce4 K4 O2 Si16 -","4","1","","Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W.","It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers.","Chemical science","2024","15","4","1338","1347","10.1039/d3sc03746k","","x-ray","0.71073","MoKα","","0.0493","0.0318","","","0.0806","0.0894","","","","","","1.04","","","","has coordinates","289405","2024-02-04","11:29:32",""
"1570579","14.843","0.002","17.3279","0.0017","21.557","0.002","90","","97.33","0.01","90","","5499.1","1.1","130","","130","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H96 K Lu Si4 -","- C52 H96 K Lu Si4 -","- C208 H384 K4 Lu4 Si16 -","4","1","","Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W.","It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers.","Chemical science","2024","15","4","1338","1347","10.1039/d3sc03746k","","x-ray","0.71073","MoKα","","0.0682","0.0327","","","0.0555","0.0602","","","","","","0.885","","","","has coordinates,has disorder","289405","2024-02-04","11:29:32",""
"1570580","14.8618","0.0009","17.3571","0.0008","21.5304","0.0017","90","","97.39","0.006","90","","5507.8","0.6","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H95 Er K Si4 -","- C52 H95 Er K Si4 -","- C208 H380 Er4 K4 Si16 -","4","1","","Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W.","It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers.","Chemical science","2024","15","4","1338","1347","10.1039/d3sc03746k","","x-ray","0.71073","MoKα","","0.0305","0.0226","","","0.0587","0.0604","","","","","","0.954","","","","has coordinates","289405","2024-02-04","11:29:32",""
"1570581","13.8875","0.0003","33.4663","0.0009","26.021","0.0006","90","","92.638","0.002","90","","12080.8","0.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C118 H208 K2 Pr2 Si8 -","- C118 H208 K2 Pr2 Si8 -","- C472 H832 K8 Pr8 Si32 -","4","1","","Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W.","It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers.","Chemical science","2024","15","4","1338","1347","10.1039/d3sc03746k","","x-ray","0.71073","MoKα","","0.1331","0.0695","","","0.1323","0.1549","","","","","","1.063","","","","has coordinates,has disorder","289405","2024-02-04","11:29:32",""
"1570582","21.8845","0.0002","22.1526","0.0003","49.1884","0.0004","91.508","0.001","101.282","0.001","118.372","0.001","20379","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C300 H449 Ag54 Br4 S30 -","- C300 H449 Ag54 Br4 S30 -","- C600 H898 Ag108 Br8 S60 -","2","1","","Li, Haoqi; Wei, Xiao; Kang, Xi; Zhu, Manzhou","Effects of bromine-containing counterion salts in directing the structures of medium-sized silver nanoclusters.","Nanoscale","2024","16","3","1254","1259","10.1039/d3nr05464k","","","1.54186","CuKα","","0.1006","0.0888","","","0.2453","0.2576","","","","","","1.028","","","","has coordinates,has disorder","289574","2024-02-04","12:18:50",""
"1570583","47.2631","0.0008","24.0336","0.0003","35.4451","0.0004","90","","90","","90","","40262.2","1","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C284 H391 Ag52 Br4 S30 -","- C284 H389 Ag52 Br4 S30 -","- C1136 H1556 Ag208 Br16 S120 -","4","0.5","","Li, Haoqi; Wei, Xiao; Kang, Xi; Zhu, Manzhou","Effects of bromine-containing counterion salts in directing the structures of medium-sized silver nanoclusters.","Nanoscale","2024","16","3","1254","1259","10.1039/d3nr05464k","","","1.54178","CuKα","","0.1502","0.1167","","","0.2971","0.322","","","","","","1.096","","","","has coordinates,has disorder","289574","2024-02-04","12:18:50",""
"1570584","38.512","0.0006","21.966","0.0004","49.9423","0.0009","90","","107.332","0.001","90","","40330.6","1.2","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C300 H446 Ag58 Br4 N2 O6 S30 -","- C300 H446 Ag58 Br4 N2 O6 S30 -","- C1200 H1784 Ag232 Br16 N8 O24 S120 -","4","0.5","","Li, Haoqi; Wei, Xiao; Kang, Xi; Zhu, Manzhou","Effects of bromine-containing counterion salts in directing the structures of medium-sized silver nanoclusters.","Nanoscale","2024","16","3","1254","1259","10.1039/d3nr05464k","","","1.54186","CuKα","","0.1261","0.0924","","","0.2564","0.2868","","","","","","0.986","","","","has coordinates,has disorder","289574","2024-02-04","12:18:50",""
"1570585","5.8943","0.0005","13.4561","0.0011","27.524","0.002","90","","90","","90","","2183","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 Cl N2 O3 -","- C26 H21 Cl N2 O3 -","- C104 H84 Cl4 N8 O12 -","4","1","","Formen, Jeffrey S. S. K.; Hassan, Diandra S.; Wolf, Christian","Chemometric sensing of stereoisomeric compound mixtures with a redox-responsive optical probe.","Chemical science","2024","15","4","1498","1504","10.1039/d3sc05706b","","","0.71073","MoKα","","0.0308","0.0262","","","0.0597","0.0617","","","","","","1.057","","","","has coordinates","289404","2024-02-04","11:27:50",""
"1570586","14.879","0.006","8.126","0.003","19.752","0.007","90","","99.543","0.012","90","","2355.1","1.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 N O3 S Se -","- C26 H25 N O3 S Se -","- C104 H100 N4 O12 S4 Se4 -","4","1","","Das, Kousik; Pedada, Abhilash; Singha, Tushar; Hari, Durga Prasad","Strain-enabled radical spirocyclization cascades: rapid access to spirocyclobutyl lactones and - lactams.","Chemical science","2024","15","9","3182","3191","10.1039/d3sc05700c","","","0.71076","MoKα","","0.1028","0.0759","","","0.156","0.1685","","","","","","1.122","","","","has coordinates","290137","2024-03-04","20:05:20",""
"1570587","6.1782","0.0002","11.4363","0.0004","31.3637","0.0009","90","","90","","90","","2216.03","0.12","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 Cl N O3 S -","- C26 H24 Cl N O3 S -","- C104 H96 Cl4 N4 O12 S4 -","4","1","","Das, Kousik; Pedada, Abhilash; Singha, Tushar; Hari, Durga Prasad","Strain-enabled radical spirocyclization cascades: rapid access to spirocyclobutyl lactones and - lactams.","Chemical science","2024","15","9","3182","3191","10.1039/d3sc05700c","","","0.71073","MoKα","","0.055","0.0525","","","0.1143","0.1157","","","","","","1.102","","","","has coordinates","290137","2024-03-04","20:05:20",""
"1570588","25.3","0.005","14.98","0.003","39.47","0.008","90","","95.44","0.03","90","","14892","5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15",";NdSc2N@Ih(7)-C80/NiOEP/Benzene;","","","- C128 H56 N5 Nd Ni Sc2 -","- C128 H56 N5 Nd Ni Sc2 -","- C1024 H448 N40 Nd8 Ni8 Sc16 -","8","1","","Yang, Wei; Rosenkranz, Marco; Velkos, Georgios; Ziegs, Frank; Dubrovin, Vasilii; Schiemenz, Sandra; Spree, Lukas; de Souza Barbosa, Matheus Felipe; Guillemard, Charles; Valvidares, Manuel; Büchner, Bernd; Liu, Fupin; Avdoshenko, Stanislav M.; Popov, Alexey A.","Covalency <i>versus</i> magnetic axiality in Nd molecular magnets: Nd-photoluminescence, strong ligand-field, and unprecedented nephelauxetic effect in fullerenes NdM<sub>2</sub>N@C<sub>80</sub> (M = Sc, Lu, Y).","Chemical science","2024","15","6","2141","2157","10.1039/d3sc05146c","","","0.82656","synchrotron","","0.0466","0.0457","","","0.1325","0.136","","","","","","1.035","","","","has coordinates","290124","2024-03-04","20:02:28",""
"1570589","8.4013","0.0003","12.0178","0.0004","11.5178","0.0005","90","","91.359","0.004","90","","1162.57","0.08","149.99","0.1","149.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Cesium tetraperoxovanadate","Cesium tetraperoxovanadate trihydrate","","- Cs3 O11 V -","- Cs3 O11 V -","- Cs12 O44 V4 -","4","1","","Ribó, Eduard Garrido; Mao, Zhiwei; Hirschi, Jacob S.; Linsday, Taylor; Bach, Karlie; Walter, Eric D.; Simons, Casey R.; Zuehlsdorff, Tim J.; Nyman, May","Implementing vanadium peroxides as direct air carbon capture materials.","Chemical science","2024","15","5","1700","1713","10.1039/d3sc05381d","","x-ray","0.71073","MoKα","","0.0419","0.032","","","0.0816","0.0853","","","","","","1.018","","","","has coordinates","289399","2024-02-04","11:27:10",""
"1570590","6.8447","0.0002","23.2894","0.0005","7.8276","0.0002","90","","112.399","0.003","90","","1153.65","0.06","229.99","0.1","230.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Rubidium tetraperoxovanadate","Rubidium tetraperoxovanadate dihydroperoxo hydrate","","- O13 Rb3 V -","- O13 Rb3 V -","- O52 Rb12 V4 -","4","1","","Ribó, Eduard Garrido; Mao, Zhiwei; Hirschi, Jacob S.; Linsday, Taylor; Bach, Karlie; Walter, Eric D.; Simons, Casey R.; Zuehlsdorff, Tim J.; Nyman, May","Implementing vanadium peroxides as direct air carbon capture materials.","Chemical science","2024","15","5","1700","1713","10.1039/d3sc05381d","","","1.54184","CuKα","","0.0583","0.0514","","","0.1382","0.1638","","","","","","1.117","","","","has coordinates","289399","2024-02-04","11:27:10",""
"1570591","10.3503","0.0002","8.7745","0.0002","14.9164","0.0003","90","","104.498","0.002","90","","1311.55","0.05","150","0.2","150","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H33 N3 O4 -","- C31 H33 N3 O4 -","- C62 H66 N6 O8 -","2","1","","Waly, Sara M. A.; Benniston, Andrew C.; Harriman, Anthony","Deducing the conformational space for an octa-proline helix.","Chemical science","2024","15","5","1657","1671","10.1039/d3sc05287g","","x-ray","1.54184","CuKα","","0.0345","0.0313","","","0.0775","0.0791","","","","","","1.067","","","","has coordinates","289401","2024-02-04","11:27:23",""
"1570592","8.6715","0.0001","9.651","0.0001","15.2097","0.0002","90","","90","","90","","1272.88","0.03","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 F2 -","- C17 H14 F2 -","- C68 H56 F8 -","4","1","","Chakrabarti, Kaushik; Wade Wolfe, Michael M.; Guo, Shuo; Tucker, Joseph W.; Lee, Jisun; Szymczak, Nathaniel K.","A metal-free strategy to construct fluoroalkyl-olefin linkages using fluoroalkanes.","Chemical science","2024","15","5","1752","1757","10.1039/d3sc05616c","","x-ray","1.54184","CuKα","","0.0396","0.0386","","","0.1027","0.1038","","","","","","1.081","","","","has coordinates","289402","2024-02-04","11:27:30",""
"1570594","15.4579","0.0002","15.5609","0.0003","15.5042","0.0003","90","","90","","90","","3729.36","0.11","300","1","300","1","","","","","","","","3","C c c a :2","-C 2a 2ac","68","","","","- Al22.53 Ru7 Si -","- Al22.532 Ru7 Si -","- Al180.256 Ru56 Si8 -","8","0.5","","Kitahara, Koichi; Takakura, Hiroyuki; Iwasaki, Yutaka; Kimura, Kaoru","Phase Equilibria in Aluminium–Ruthenium–Silicon System near 1200 Kelvin","Materials Transactions","2024","65","1","18","26","10.2320/matertrans.MT-M2023128","","x-ray","0.71073","MoKα","","0.0312","0.029","","","0.0827","0.084","","","","","","1.164","","","","has coordinates","288546","2023-12-25","02:20:37",""
"1570595","7.755","0.00004","7.755","0.00004","7.755","0.00004","90","","90","","90","","466.386","0.004","300","1","300","1","","","","","","","","3","P m -3","-P 2 2 3","200","","","","- Al22.43 Ru6.88 Si1.79 -","- Al22.432 Ru6.88 Si1.792 -","- Al22.432 Ru6.88 Si1.792 -","1","0.0416667","","Kitahara, Koichi; Takakura, Hiroyuki; Iwasaki, Yutaka; Kimura, Kaoru","Phase Equilibria in Aluminium–Ruthenium–Silicon System near 1200 Kelvin","Materials Transactions","2024","65","1","18","26","10.2320/matertrans.MT-M2023128","","x-ray","0.71073","MoKα","","0.0165","0.0161","","","0.0356","0.0357","","","","","","1.221","","","","has coordinates","288547","2023-12-25","02:20:55",""
"1570596","12.62636","0.00007","12.62636","0.00007","26.70599","0.00016","90","","90","","120","","3687.19","0.04","300","1","300","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Al85.85 Ru23 Si11.1 -","- Al85.856 Ru23 Si11.1 -","- Al171.712 Ru46 Si22.2 -","2","0.0833333","","Kitahara, Koichi; Takakura, Hiroyuki; Iwasaki, Yutaka; Kimura, Kaoru","Phase Equilibria in Aluminium–Ruthenium–Silicon System near 1200 Kelvin","Materials Transactions","2024","65","1","18","26","10.2320/matertrans.MT-M2023128","","x-ray","0.71073","MoKα","","0.0138","0.012","","","0.0246","0.025","","","","","","1.262","","","","has coordinates","288548","2023-12-25","02:21:24",""
"1570597","14.8784","0.0008","17.2401","0.0009","21.4396","0.0011","90.821","0.001","90.355","0.0009","98.1446","0.0009","5443.2","0.5","93","2","93","2","","","","","","","","9","P -1","-P 1","2","","[(TMTACN)Fe(II)-(OH)-Mn(III)poat]OTf","","- C52 H64 F3 Fe Mn N7 O7 P3 S -","- C52 H64 F3 Fe Mn N7 O7 P3 S -","- C208 H256 F12 Fe4 Mn4 N28 O28 P12 S4 -","4","2","","Lee, Justin L.; Biswas, Saborni; Ziller, Joseph W.; Bominaar, Emile L.; Hendrich, Michael P.; Borovik, A. S.","Accessing a synthetic Fe<sup>III</sup>Mn<sup>IV</sup> core to model biological heterobimetallic active sites.","Chemical science","2024","15","8","2817","2826","10.1039/d3sc04900k","","","0.71073","MoKα","","0.0881","0.0474","","","0.0855","0.0978","","","","","","1.001","","","","has coordinates,has disorder","290113","2024-03-04","19:58:52",""
"1570598","14.5521","0.0014","15.0662","0.0015","16.7358","0.0016","70.9679","0.0015","65.6681","0.0015","82.915","0.0016","3160.3","0.5","133","2","133","2","","","","","","","","10","P -1","-P 1","2","","[(TMTACN)Fe(III)-(O)-Mn(III)poat]OTf","","- C53.5 H66 Cl3 F3 Fe Mn N7 O7 P3 S -","- C53.5 H66 Cl3 F3 Fe Mn N7 O7 P3 S -","- C107 H132 Cl6 F6 Fe2 Mn2 N14 O14 P6 S2 -","2","1","","Lee, Justin L.; Biswas, Saborni; Ziller, Joseph W.; Bominaar, Emile L.; Hendrich, Michael P.; Borovik, A. S.","Accessing a synthetic Fe<sup>III</sup>Mn<sup>IV</sup> core to model biological heterobimetallic active sites.","Chemical science","2024","15","8","2817","2826","10.1039/d3sc04900k","","","0.71073","MoKα","","0.0967","0.0731","","","0.1859","0.2047","","","","","","1.046","","","","has coordinates,has disorder","290113","2024-03-04","19:58:52",""
"1570599","16.7414","0.0009","14.8414","0.0008","26.8159","0.0015","90","","92.1641","0.001","90","","6658.1","0.6","93","2","93","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","[(TMTACN)Fe(III)-(O)-Mn(III)poat](OTf)2","","- C54 H65 Cl3 F6 Fe Mn N7 O10 P3 S2 -","- C54 H65 Cl3 F6 Fe Mn N7 O10 P3 S2 -","- C216 H260 Cl12 F24 Fe4 Mn4 N28 O40 P12 S8 -","4","1","","Lee, Justin L.; Biswas, Saborni; Ziller, Joseph W.; Bominaar, Emile L.; Hendrich, Michael P.; Borovik, A. S.","Accessing a synthetic Fe<sup>III</sup>Mn<sup>IV</sup> core to model biological heterobimetallic active sites.","Chemical science","2024","15","8","2817","2826","10.1039/d3sc04900k","","","0.71073","MoKα","","0.0459","0.0344","","","0.0851","0.0914","","","","","","1.034","","","","has coordinates,has disorder","290113","2024-03-04","19:58:52",""
"1570601","14.7648","0.0005","11.9997","0.0005","9.965","0.0005","90","","90","","90","","1765.53","0.13","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H21 B Cl I O2 -","- C15 H21 B Cl I O2 -","- C60 H84 B4 Cl4 I4 O8 -","4","1","","Seidler, Gesa; Schwenzer, Max; Clausen, Florian; Daniliuc, Constantin G.; Studer, Armido","Borylative transition metal-free couplings of vinyl iodides with various nucleophiles, alkenes or alkynes.","Chemical science","2024","15","5","1672","1678","10.1039/d3sc06131k","","x-ray","0.71073","MoKα","","0.0284","0.0237","","","0.0432","0.0448","","","","","","1.055","","","","has coordinates,has disorder","289403","2024-02-04","11:27:43",""
"1570602","9.2744","0.0003","11.9893","0.0004","21.6544","0.0009","98.33","0.003","102.067","0.002","103.257","0.002","2244.36","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H33 B O2 Si -","- C21 H33 B O2 Si -","- C84 H132 B4 O8 Si4 -","4","2","","Seidler, Gesa; Schwenzer, Max; Clausen, Florian; Daniliuc, Constantin G.; Studer, Armido","Borylative transition metal-free couplings of vinyl iodides with various nucleophiles, alkenes or alkynes.","Chemical science","2024","15","5","1672","1678","10.1039/d3sc06131k","","x-ray","1.54178","CuKα","","0.0807","0.0522","","","0.1182","0.1342","","","","","","1.029","","","","has coordinates,has disorder","289403","2024-02-04","11:27:43",""
"1570603","6.3808","0.0007","12.5531","0.001","26.558","0.003","90","","91.822","0.008","90","","2126.2","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 B O4 -","- C23 H29 B O4 -","- C92 H116 B4 O16 -","4","1","","Seidler, Gesa; Schwenzer, Max; Clausen, Florian; Daniliuc, Constantin G.; Studer, Armido","Borylative transition metal-free couplings of vinyl iodides with various nucleophiles, alkenes or alkynes.","Chemical science","2024","15","5","1672","1678","10.1039/d3sc06131k","","x-ray","1.54178","CuKα","","0.1574","0.0903","","","0.2266","0.2777","","","","","","1.028","","","","has coordinates,has disorder","289403","2024-02-04","11:27:43",""
"1570604","12.9545","0.0005","20.8834","0.0008","16.8105","0.0007","90","","110.893","0.002","90","","4248.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 B O2 -","- C24 H31 B O2 -","- C192 H248 B8 O16 -","8","2","","Seidler, Gesa; Schwenzer, Max; Clausen, Florian; Daniliuc, Constantin G.; Studer, Armido","Borylative transition metal-free couplings of vinyl iodides with various nucleophiles, alkenes or alkynes.","Chemical science","2024","15","5","1672","1678","10.1039/d3sc06131k","","x-ray","1.54178","CuKα","","0.0638","0.0429","","","0.0948","0.1063","","","","","","1.028","","","","has coordinates","289403","2024-02-04","11:27:43",""
"1570605","11.8688","0.0002","17.6865","0.0003","12.6092","0.0003","90","","116.407","0.001","90","","2370.71","0.08","101","2","101","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H35 B O2 Si -","- C24 H35 B O2 Si -","- C96 H140 B4 O8 Si4 -","4","1","","Seidler, Gesa; Schwenzer, Max; Clausen, Florian; Daniliuc, Constantin G.; Studer, Armido","Borylative transition metal-free couplings of vinyl iodides with various nucleophiles, alkenes or alkynes.","Chemical science","2024","15","5","1672","1678","10.1039/d3sc06131k","","x-ray","1.54178","CuKα","","0.0586","0.0432","","","0.0994","0.1091","","","","","","1.034","","","","has coordinates","289403","2024-02-04","11:27:43",""
"1570606","9.8635","0.0005","11.6173","0.0006","12.5223","0.0007","100.723","0.003","106.987","0.003","111.523","0.003","1205.26","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H35 B Fe O2 -","- C27 H35 B Fe O2 -","- C54 H70 B2 Fe2 O4 -","2","1","","Seidler, Gesa; Schwenzer, Max; Clausen, Florian; Daniliuc, Constantin G.; Studer, Armido","Borylative transition metal-free couplings of vinyl iodides with various nucleophiles, alkenes or alkynes.","Chemical science","2024","15","5","1672","1678","10.1039/d3sc06131k","","x-ray","1.54178","CuKα","","0.0905","0.08","","","0.2113","0.2211","","","","","","1.065","","","","has coordinates,has disorder","289403","2024-02-04","11:27:43",""
"1570607","25","0.003","25","0.003","25","0.003","90","","90","","90","","15625","3","293","2","293","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Zeolite Y","","- Na0.23 O2.17 Si1.04 -","- Na0.234783 O2.17391 Si1.04348 -","- Na43.2 O400 Si192 -","184","0.958333","OF5002","Hogan-Lamarre, Pascal; Luo, Yi; Bücker, Robert; Miller, R. J. Dwayne; Zou, Xiaodong","STEM SerialED: achieving high-resolution data for ab initio structure determination of beam-sensitive nanocrystalline materials.","IUCrJ","2024","11","Pt 1","62","72","10.1107/S2052252523009661","","electron","0.0251","electron","","0.2498","0.22","","","0.4966","0.5144","","","","","","1.621","","","","has coordinates","294012","2024-08-06","22:09:24",""
"1570608","25","0.003","25","0.003","25","0.003","90","","90","","90","","15625","3","293","2","293","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Zeolite Y","","- Na21.6 O201.92 Si96 -","- Na21.6 O201.92 Si96 -","- Na43.2 O403.84 Si192 -","2","0.0104167","","Hogan-Lamarre, Pascal; Luo, Yi; Bücker, Robert; Miller, R. J. Dwayne; Zou, Xiaodong","STEM SerialED: achieving high-resolution data for ab initio structure determination of beam-sensitive nanocrystalline materials.","IUCrJ","2024","11","Pt 1","62","72","10.1107/S2052252523009661","","electron","0.0196","electron","","0.3127","0.301","","","0.6077","0.6136","","","","","","2.052","","","","has coordinates","294012","2024-08-06","22:09:24",""
"1570609","43.269","0.005","43.269","0.005","43.269","0.005","90","","90","","90","","81008","16","293","2","293","2","","","","","","","","3","I -4 3 m","I -4 2 3","217","","ZSM-25","","- Na156 O2880 Si1440 -","- Na156 O2880 Si1440 -","- Na156 O2880 Si1440 -","1","0.0208333","","Hogan-Lamarre, Pascal; Luo, Yi; Bücker, Robert; Miller, R. J. Dwayne; Zou, Xiaodong","STEM SerialED: achieving high-resolution data for ab initio structure determination of beam-sensitive nanocrystalline materials.","IUCrJ","2024","11","Pt 1","62","72","10.1107/S2052252523009661","","electron","0.0196","electron","","0.3351","0.2684","","","0.5468","0.5815","","","","","","1.566","","","","has coordinates","294012","2024-08-06","22:09:24",""
"1570610","16.3155","0.0003","16.3155","0.0003","29.6131","0.0005","90","","90","","120","","6826.8","0.2","200","0.1","199.99","0.1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C72 H109 Ag14 Cl O -","- C72 H108 Ag14 Cl -","- C216 H324 Ag42 Cl3 -","3","0.166667","","Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang","X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters.","Nanoscale","2024","16","5","2662","2671","10.1039/d3nr05409h","","","1.54184","CuKα","","0.0559","0.0495","","","0.1393","0.1438","","","","","","1.064","","","","has coordinates,has disorder","289573","2024-02-04","12:18:13",""
"1570611","16.3057","0.0004","16.3057","0.0004","29.6423","0.0007","90","","90","","120","","6825.3","0.3","199.99","0.1","199.99","0.1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C72 H109 Ag14 Cl O -","- C72 H108 Ag14 Cl -","- C216 H324 Ag42 Cl3 -","3","0.166667","","Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang","X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters.","Nanoscale","2024","16","5","2662","2671","10.1039/d3nr05409h","","","1.54184","CuKα","","0.1011","0.0856","","","0.2487","0.2612","","","","","","1.052","","","","has coordinates,has disorder","289573","2024-02-04","12:18:13",""
"1570612","16.3356","0.0008","16.3356","0.0008","29.4449","0.0014","90","","90","","120","","6804.7","0.6","200","0.1","200.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C72 H109 Ag14 Cl O -","- C70.29 H102.87 Ag14 Cl -","- C210.87 H308.61 Ag42 Cl3 -","3","0.166667","","Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang","X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters.","Nanoscale","2024","16","5","2662","2671","10.1039/d3nr05409h","","","0.71073","MoKα","","0.0701","0.0439","","","0.1284","0.1395","","","","","","1.043","","","","has coordinates,has disorder","289573","2024-02-04","12:18:13",""
"1570613","16.1523","0.0006","16.1523","0.0006","29.3979","0.0016","90","","90","","120","","6642.3","0.5","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","Ag14 II Ga 100K","","- C75 H118 Ag14 Cl O -","- C75 H118 Ag14 Cl O -","- C225 H354.001 Ag42 Cl3 O3 -","3","0.166667","","Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang","X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters.","Nanoscale","2024","16","5","2662","2671","10.1039/d3nr05409h","","","1.34139","GaKα","","0.0768","0.0662","","","0.1881","0.198","","","","","","1.049","","","","has coordinates,has disorder","289573","2024-02-04","12:18:13",""
"1570614","16.541","0.0009","16.541","0.0009","29.8249","0.0019","90","","90","","120","","7067","0.7","200.01","0.1","200.01","0.1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H108 Ag14 B Cl F4 -","- C72 H108 Ag14 Cl -","- C216 H324 Ag42 Cl3 -","3","0.166667","","Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang","X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters.","Nanoscale","2024","16","5","2662","2671","10.1039/d3nr05409h","","x-ray","0.71073","MoKα","","0.0698","0.0466","","","0.1364","0.148","","","","","","1.06","","","","has coordinates,has disorder","289573","2024-02-04","12:18:13",""
"1570615","16.438","0.003","16.438","0.003","29.9","0.007","90","","90","","120","","6997","2","302","","302","","","","","","","","","5","R -3 :H","-R 3","148","","AG14 II Ga 300K","","- C72 H109 Ag14 Cl O -","- C72 H109 Ag14 Cl O -","- C216 H327.001 Ag42 Cl3 O3 -","3","0.166667","","Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang","X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters.","Nanoscale","2024","16","5","2662","2671","10.1039/d3nr05409h","","","1.34139","GaKα","","0.0779","0.0671","","","0.1921","0.2031","","","","","","1.071","","","","has coordinates,has disorder","289573","2024-02-04","12:18:13",""
"1570616","21.8992","0.0008","21.8992","0.0008","15.485","0.0008","90","","90","","120","","6431.3","0.5","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C72 H109 Ag14 F O -","- C72 H108 Ag14 F -","- C216 H324 Ag42 F3 -","3","0.166667","","Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang","X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters.","Nanoscale","2024","16","5","2662","2671","10.1039/d3nr05409h","","","1.34139","GaKα","","0.0745","0.0501","","","0.132","0.1446","","","","","","1.07","","","","has coordinates,has disorder","289573","2024-02-04","12:18:13",""
"1570617","21.8873","0.0007","21.8873","0.0007","15.5998","0.0008","90","","90","","120","","6471.9","0.4","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C72 H109 Ag14 Cl O -","- C72 H108 Ag14 Cl -","- C216 H324 Ag42 Cl3 -","3","0.166667","","Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang","X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters.","Nanoscale","2024","16","5","2662","2671","10.1039/d3nr05409h","","","1.34139","GaKα","","0.1041","0.0969","","","0.2236","0.2266","","","","","","1.192","","","","has coordinates,has disorder","289573","2024-02-04","12:18:13",""
"1570618","21.96","0.0006","21.96","0.0006","15.4656","0.0007","90","","90","","120","","6459","0.4","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C72 H109 Ag14 Br O -","- C72 H108 Ag14 Br -","- C216 H324 Ag42 Br3 -","3","0.166667","","Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang","X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters.","Nanoscale","2024","16","5","2662","2671","10.1039/d3nr05409h","","","1.34139","GaKα","","0.0674","0.0496","","","0.1435","0.1528","","","","","","1.075","","","","has coordinates,has disorder","289573","2024-02-04","12:18:13",""
"1570619","13.155","0.003","12.7828","0.001","15.378","0.002","90","","100.227","0.013","90","","2544.8","0.7","298.14","","298.14","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3.39 H4.36 Mn0.12 N0.36 O0.24 -","- C3.39394 H4.36364 Mn0.121212 N0.363636 O0.242424 -","- C112 H144 Mn4 N12 O8 -","33","8.25","","Mahato, Samyadeb; VandeVen, Warren; MacNeil, Gregory A.; Pulfer, Jason M.; Storr, Tim","Untangling ancillary ligand donation <i>versus</i> locus of oxidation effects on metal nitride reactivity.","Chemical science","2024","15","6","2211","2220","10.1039/d3sc05403a","","","1.54178","CuKα","","0.0439","0.0361","","","0.0933","0.0971","","","","","","1.081","","","","has coordinates","290120","2024-03-04","20:00:27",""
"1570620","26.659","0.001","26.659","0.001","10.103","0.0004","90","","90","","120","","6218.3","0.4","298","2","298","2","","","","","","","","4","P -3 1 m","-P 3 2","162","Zr-BPT","","","- C60.33 H36.33 O64.66 Zr12 -","- C60.33 H36.33 O64.66 Zr12 -","- C120.66 H72.66 O129.32 Zr24 -","2","0.166667","","Shiraishi, Kyoko; Otsubo, Kazuya; Kato, Kenichi; Sadakiyo, Masaaki","A novel threefold interpenetrated zirconium metal-organic framework exhibiting separation ability for strong acids.","Chemical science","2024","15","4","1441","1448","10.1039/d3sc04171a","powder diffraction","","0.8001","synchrotronradiation","","0.02075","","","","","","0.02075","0.04695","2.8194","","","","","","","has coordinates","289411","2024-02-04","11:30:42",""
"1570621","22.8051","0.0003","22.8051","0.0003","8.2792","0.0002","90","","90","","90","","4305.78","0.13","293","2","293","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C29 H18 F3 N -","- C29 H18 F3 N -","- C232 H144 F24 N8 -","8","1","","Kato, Yugo; Nishimura, Kazutoshi; Nishii, Yuji; Hirano, Koji","Direct synthesis of spirobifluorenes by formal dehydrative coupling of biaryls and fluorenones.","Chemical science","2024","15","6","2112","2117","10.1039/d3sc05977d","","x-ray","1.54184","CuKα","","0.0997","0.0918","","","0.2877","0.2963","","","","","","1.098","","","","has coordinates,has disorder","290122","2024-03-04","20:01:30",""
"1570622","10.9754","0.0002","12.115","0.0004","12.3347","0.0003","116.431","0.003","95.048","0.002","94.47","0.002","1450.31","0.08","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H39 N -","- C38 H39 N -","- C76 H78 N2 -","2","1","","Kato, Yugo; Nishimura, Kazutoshi; Nishii, Yuji; Hirano, Koji","Direct synthesis of spirobifluorenes by formal dehydrative coupling of biaryls and fluorenones.","Chemical science","2024","15","6","2112","2117","10.1039/d3sc05977d","","x-ray","1.54184","CuKα","","0.0829","0.0723","","","0.204","0.2161","","","","","","1.066","","","","has coordinates,has disorder","290122","2024-03-04","20:01:30",""
"1570623","27.4355","0.0003","7.9543","0.0001","31.2422","0.0003","90","","91.937","0.001","90","","6814.1","0.13","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C94 H90 N2 -","- C94 H90 N2 -","- C376 H360 N8 -","4","1","","Kato, Yugo; Nishimura, Kazutoshi; Nishii, Yuji; Hirano, Koji","Direct synthesis of spirobifluorenes by formal dehydrative coupling of biaryls and fluorenones.","Chemical science","2024","15","6","2112","2117","10.1039/d3sc05977d","","x-ray","1.54184","CuKα","","0.059","0.0548","","","0.1401","0.1435","","","","","","1.032","","","","has coordinates,has disorder","290122","2024-03-04","20:01:30",""
"1570624","15.719","0.0003","8.3643","0.0001","33.8437","0.0005","90","","101.487","0.002","90","","4360.59","0.12","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C64 H42 N2 -","- C64 H42 N2 -","- C256 H168 N8 -","4","1","","Kato, Yugo; Nishimura, Kazutoshi; Nishii, Yuji; Hirano, Koji","Direct synthesis of spirobifluorenes by formal dehydrative coupling of biaryls and fluorenones.","Chemical science","2024","15","6","2112","2117","10.1039/d3sc05977d","","x-ray","1.54184","CuKα","","0.0752","0.0691","","","0.1621","0.1659","","","","","","1.134","","","","has coordinates,has disorder","290122","2024-03-04","20:01:30",""
"1570625","15.0249","0.0002","11.6534","0.0001","16.3566","0.0002","90","","97.312","0.001","90","","2840.61","0.06","263","2","263","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N0.5 -","- C18 H19 N0.5 -","- C144 H152 N4 -","8","2","","Kato, Yugo; Nishimura, Kazutoshi; Nishii, Yuji; Hirano, Koji","Direct synthesis of spirobifluorenes by formal dehydrative coupling of biaryls and fluorenones.","Chemical science","2024","15","6","2112","2117","10.1039/d3sc05977d","","x-ray","1.54184","CuKα","","0.0581","0.053","","","0.1437","0.15","","","","","","1.061","","","","has coordinates,has disorder","290122","2024-03-04","20:01:30",""
"1570626","12.0253","0.0005","14.285","0.0008","15.2395","0.0006","63.792","0.005","67.462","0.004","77.789","0.004","2166.5","0.2","273","2","273","2","","","","","","","","2","P -1","-P 1","2","","","","- C52 H42 -","- C52 H42 -","- C104 H84 -","2","1","","Kato, Yugo; Nishimura, Kazutoshi; Nishii, Yuji; Hirano, Koji","Direct synthesis of spirobifluorenes by formal dehydrative coupling of biaryls and fluorenones.","Chemical science","2024","15","6","2112","2117","10.1039/d3sc05977d","","x-ray","1.54184","CuKα","","0.0649","0.0539","","","0.1612","0.1699","","","","","","1.052","","","","has coordinates,has disorder","290122","2024-03-04","20:01:30",""
"1570627","10.381","0.0001","14.348","0.0002","15.6103","0.0001","94.929","0.001","102.901","0.001","107.046","0.001","2138.07","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H45 Cl2 N -","- C58 H45 Cl2 N -","- C116 H90 Cl4 N2 -","2","1","","Kato, Yugo; Nishimura, Kazutoshi; Nishii, Yuji; Hirano, Koji","Direct synthesis of spirobifluorenes by formal dehydrative coupling of biaryls and fluorenones.","Chemical science","2024","15","6","2112","2117","10.1039/d3sc05977d","","x-ray","1.54184","CuKα","","0.0439","0.0396","","","0.1069","0.1104","","","","","","1.069","","","","has coordinates,has disorder","290122","2024-03-04","20:01:30",""
"1570628","12.2354","0.0004","14.2615","0.0004","20.8253","0.0006","90","","98.248","0.003","90","","3596.33","0.19","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H26 Cl6 S -","- C44 H26 Cl6 S -","- C176 H104 Cl24 S4 -","4","1","","Kato, Yugo; Nishimura, Kazutoshi; Nishii, Yuji; Hirano, Koji","Direct synthesis of spirobifluorenes by formal dehydrative coupling of biaryls and fluorenones.","Chemical science","2024","15","6","2112","2117","10.1039/d3sc05977d","","x-ray","0.71073","MoKα","","0.0759","0.0564","","","0.1565","0.1728","","","","","","1.054","","","","has coordinates","290122","2024-03-04","20:01:30",""
"1570629","22.0314","0.0004","12.4409","0.0002","26.6247","0.0004","90","","112.159","0.002","90","","6758.6","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C84 H92 S2 -","- C84 H92 S2 -","- C336 H368 S8 -","4","1","","Kato, Yugo; Nishimura, Kazutoshi; Nishii, Yuji; Hirano, Koji","Direct synthesis of spirobifluorenes by formal dehydrative coupling of biaryls and fluorenones.","Chemical science","2024","15","6","2112","2117","10.1039/d3sc05977d","","x-ray","1.54184","CuKα","","0.1079","0.0946","","","0.2904","0.3334","","","","","","1.384","","","","has coordinates,has disorder","290122","2024-03-04","20:01:30",""
"1570630","5.23281","0.00004","11.33461","0.00009","22.611","0.0002","90","","90","","90","","1341.1","0.019","150.01","0.1","150.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","","Obieta, Maria; Urgoitia, Garazi; Herrero, María Teresa; SanMartin, Raul","Efficient iron-catalyzed direct acylation of amines with carboxylic acids and esters under oxygenated conditions","Catalysis Science & Technology","2024","14","2","478","488","10.1039/D3CY01429K","","x-ray","1.54184","CuKα","","0.0286","0.0281","","","0.0721","0.0725","","","","","","1.075","","","","has coordinates","289313","2024-02-04","10:58:23",""
"1570631","5.4042","0.0001","22.6075","0.0004","23.7568","0.0004","90","","95.144","0.002","90","","2890.81","0.09","170","0.1","170","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C136 H152 N8 O16 -","8","4","","Obieta, Maria; Urgoitia, Garazi; Herrero, María Teresa; SanMartin, Raul","Efficient iron-catalyzed direct acylation of amines with carboxylic acids and esters under oxygenated conditions","Catalysis Science & Technology","2024","14","2","478","488","10.1039/D3CY01429K","","x-ray","1.54184","CuKα","","0.0704","0.0601","","","0.1633","0.1738","","","","","","1.131","","","","has coordinates,has disorder","289313","2024-02-04","10:58:23",""
"1570632","10.65","0.0004","11.2963","0.0004","15.0976","0.0005","111.368","0.003","93.137","0.003","92.33","0.003","1685.35","0.11","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C39 H41 Cu Ge N2 -","- C39 H41 Cu Ge N2 -","- C78 H82 Cu2 Ge2 N4 -","2","1","","Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J.","The structures and reactivity of NHC-supported copper(i) triphenylgermyls","Chemical Science","2024","15","2","584","593","10.1039/D3SC05862J","","x-ray","0.71073","MoKα","","0.0437","0.0328","","","0.0795","0.0853","","","","","","1.04","","","","has coordinates","288659","2024-01-03","23:19:29",""
"1570633","8.9616","0.0001","19.7494","0.0001","20.04","0.0002","90","","100.99","0.001","90","","3481.76","0.06","150","0.1","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H43 Cu Ge N2 -","- C40 H43 Cu Ge N2 -","- C160 H172 Cu4 Ge4 N8 -","4","1","","Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J.","The structures and reactivity of NHC-supported copper(i) triphenylgermyls","Chemical Science","2024","15","2","584","593","10.1039/D3SC05862J","","","1.54184","CuKα","","0.0284","0.027","","","0.0722","0.0733","","","","","","1.082","","","","has coordinates","288659","2024-01-03","23:19:30",""
"1570634","16.2264","0.0003","10.8168","0.0003","20.4792","0.0007","90","","90","","90","","3594.46","0.17","150.01","0.1","150.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C40 H46 Cu N3 O -","- C40 H46 Cu N3 O -","- C160 H184 Cu4 N12 O4 -","4","1","","Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J.","The structures and reactivity of NHC-supported copper(i) triphenylgermyls","Chemical Science","2024","15","2","584","593","10.1039/D3SC05862J","","","1.54184","CuKα","","0.0615","0.0522","","","0.1377","0.1468","","","","","","1.045","","","","has coordinates,has disorder","288659","2024-01-03","23:19:31",""
"1570635","13.1905","0.0005","18.6418","0.0007","20.1369","0.001","66.024","0.004","81.401","0.003","69.363","0.004","4233.9","0.4","150.01","0.1","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C92 H102 Cu2 Ge2 N4 S4 -","- C92 H102 Cu2 Ge2 N4 S4 -","- C184 H204 Cu4 Ge4 N8 S8 -","2","1","","Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J.","The structures and reactivity of NHC-supported copper(i) triphenylgermyls","Chemical Science","2024","15","2","584","593","10.1039/D3SC05862J","","","1.54184","CuKα","","0.0469","0.0383","","","0.0923","0.0978","","","","","","1.015","","","","has coordinates,has disorder","288659","2024-01-03","23:19:31",""
"1570636","10.22373","0.00004","20.07164","0.00009","22.27774","0.00011","90","","98.8634","0.0004","90","","4516.96","0.04","150","0.1","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H60 Cu Ge N3 S -","- C50 H60 Cu Ge N3 S -","- C200 H240 Cu4 Ge4 N12 S4 -","4","1","","Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J.","The structures and reactivity of NHC-supported copper(i) triphenylgermyls","Chemical Science","2024","15","2","584","593","10.1039/D3SC05862J","","","1.54184","CuKα","","0.0295","0.0289","","","0.074","0.0745","","","","","","1.058","","","","has coordinates,has disorder","288659","2024-01-03","23:19:31",""
"1570637","12.3095","0.0002","19.8911","0.0003","18.5854","0.0004","90","","91.1959","0.0018","90","","4549.63","0.14","150","0.7","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H57 Cu Ge N2 -","- C53 H57 Cu Ge N2 -","- C212 H228 Cu4 Ge4 N8 -","4","1","","Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J.","The structures and reactivity of NHC-supported copper(i) triphenylgermyls","Chemical Science","2024","15","2","584","593","10.1039/D3SC05862J","","","0.71073","MoKα","","0.095","0.0531","","","0.1142","0.129","","","","","","1.098","","","","has coordinates","288659","2024-01-03","23:19:31",""
"1570638","11.0264","0.0001","19.2655","0.0003","20.3965","0.0003","86.283","0.001","77.281","0.001","73.472","0.001","4051.84","0.1","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C90 H102 Cu2 Ge2 N4 -","- C90 H102 Cu2 Ge2 N4 -","- C180 H204 Cu4 Ge4 N8 -","2","1","","Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J.","The structures and reactivity of NHC-supported copper(i) triphenylgermyls","Chemical Science","2024","15","2","584","593","10.1039/D3SC05862J","","","1.54184","CuKα","","0.0372","0.0348","","","0.0925","0.0943","","","","","","1.065","","","","has coordinates,has disorder","288659","2024-01-03","23:19:31",""
"1570639","14.9501","0.0003","19.7103","0.0003","16.1176","0.0003","90","","105.269","0.002","90","","4581.74","0.15","150","0.7","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H57 Cu Ge N2 -","- C53 H57 Cu Ge N2 -","- C212 H228 Cu4 Ge4 N8 -","4","1","","Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J.","The structures and reactivity of NHC-supported copper(i) triphenylgermyls","Chemical Science","2024","15","2","584","593","10.1039/D3SC05862J","","","0.71073","MoKα","","0.051","0.0323","","","0.0711","0.0798","","","","","","1.023","","","","has coordinates","288659","2024-01-03","23:19:31",""
"1570640","11.48162","0.00007","30.4535","0.0002","14.25277","0.00012","90","","94.8925","0.0007","90","","4965.4","0.06","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H57 Cu Ge N4 O2 -","- C59 H57 Cu Ge N4 O2 -","- C236 H228 Cu4 Ge4 N16 O8 -","4","1","","Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J.","The structures and reactivity of NHC-supported copper(i) triphenylgermyls","Chemical Science","2024","15","2","584","593","10.1039/D3SC05862J","","","1.54184","CuKα","","0.0545","0.0512","","","0.1262","0.128","","","","","","1.163","","","","has coordinates","288659","2024-01-03","23:19:32",""
"1570641","12.0126","0.0001","17.1438","0.0001","19.7933","0.0001","90","","90","","90","","4076.26","0.05","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H55 Cu Ge N2 -","- C46 H55 Cu Ge N2 -","- C184 H220 Cu4 Ge4 N8 -","4","1","","Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J.","The structures and reactivity of NHC-supported copper(i) triphenylgermyls","Chemical Science","2024","15","2","584","593","10.1039/D3SC05862J","","x-ray","1.54184","CuKα","","0.0566","0.0564","","","0.1432","0.1433","","","","","","1.121","","","","has coordinates,has disorder","288659","2024-01-03","23:19:32",""
"1570642","9.0139","0.0015","14.186","0.002","8.9545","0.0014","90","","90.487","0.007","90","","1145","0.3","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 O12 Ti2 -","- C20 H26 O12 Ti2 -","- C40 H52 O24 Ti4 -","2","0.5","","Hou, Jinle; Huang, Nahui; Acharya, Dinesh; Liu, Yuxin; Zhu, Jiaying; Teng, Jiaxin; Wang, Zhi; Qu, Konggang; Zhang, Xianxi; Sun, Di","All-catecholate-stabilized black titanium-oxo clusters for efficient photothermal conversion.","Chemical science","2024","15","7","2655","2664","10.1039/d3sc05617a","","","1.54178","CuKα","","0.0472","0.0448","","","0.1198","0.1218","","","","","","1.092","","","","has coordinates","290128","2024-03-04","20:03:19",""
"1570643","15.114","0.004","16.444","0.005","17.284","0.005","63.041","0.009","64.513","0.013","71.596","0.009","3417.2","1.7","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C134 H100 O58 Ti16 -","- C134 H100 O58 Ti16 -","- C134 H100 O58 Ti16 -","1","0.5","","Hou, Jinle; Huang, Nahui; Acharya, Dinesh; Liu, Yuxin; Zhu, Jiaying; Teng, Jiaxin; Wang, Zhi; Qu, Konggang; Zhang, Xianxi; Sun, Di","All-catecholate-stabilized black titanium-oxo clusters for efficient photothermal conversion.","Chemical science","2024","15","7","2655","2664","10.1039/d3sc05617a","","","1.54178","CuKα","","0.1185","0.0737","","","0.1865","0.2212","","","","","","1.05","","","","has coordinates","290128","2024-03-04","20:03:20",""
"1570644","16.79","0.003","16.977","0.003","17.003","0.003","113.206","0.007","113.379","0.006","98.474","0.007","3814.6","1.3","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C154 H136 O56 Ti16 -","- C154 H136 O56 Ti16 -","- C154 H136 O56 Ti16 -","1","0.5","","Hou, Jinle; Huang, Nahui; Acharya, Dinesh; Liu, Yuxin; Zhu, Jiaying; Teng, Jiaxin; Wang, Zhi; Qu, Konggang; Zhang, Xianxi; Sun, Di","All-catecholate-stabilized black titanium-oxo clusters for efficient photothermal conversion.","Chemical science","2024","15","7","2655","2664","10.1039/d3sc05617a","","","1.54178","CuKα","","0.1346","0.0894","","","0.2563","0.2961","","","","","","1.039","","","","has coordinates","290128","2024-03-04","20:03:20",""
"1570645","13.7327","0.0007","14.2235","0.0007","23.4194","0.0012","87.685","0.002","89.986","0.002","66.441","0.002","4189.1","0.4","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C72 H79 O29 Ti8 -","- C72 H79 O29 Ti8 -","- C144 H158 O58 Ti16 -","2","1","","Hou, Jinle; Huang, Nahui; Acharya, Dinesh; Liu, Yuxin; Zhu, Jiaying; Teng, Jiaxin; Wang, Zhi; Qu, Konggang; Zhang, Xianxi; Sun, Di","All-catecholate-stabilized black titanium-oxo clusters for efficient photothermal conversion.","Chemical science","2024","15","7","2655","2664","10.1039/d3sc05617a","","","0.71073","MoKα","","0.0502","0.0414","","","0.1073","0.1147","","","","","","1.046","","","","has coordinates,has disorder","290128","2024-03-04","20:03:20",""
"1570646","9.774","0.01","14.769","0.014","18.881","0.019","95.08","0.03","95.96","0.04","92.17","0.03","2697","5","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H13 F25 N4 O S2 -","- C59 H13 F25 N4 O S2 -","- C118 H26 F50 N8 O2 S4 -","2","1","","Sun, Meng; Xie, Yongshu; Baryshnikov, Glib; Li, Chengjie; Sha, Feng; Wu, Xinyan; Ågren, Hans; Li, Shijun; Li, Qizhao","Mono- and bis-Pd(ii) complexes of N-confused dithiahexaphyrin(1.1.1.1.1.0) with the absorption and aromaticity modulated by Pd(ii) coordination, macrocycle contraction and ancillary ligands.","Chemical science","2024","15","6","2047","2054","10.1039/d3sc05473j","","","0.71073","MoKα","","0.2084","0.1215","","","0.3026","0.3407","","","","","","1.086","","","","has coordinates","290123","2024-03-04","20:02:13",""
"1570647","16.9156","0.0014","17.3251","0.0016","19.0029","0.0017","70.416","0.003","65.162","0.002","76.985","0.003","4738.3","0.7","213","","213","","","","","","","","","9","P -1","-P 1","2","","","","- C77 H27 Cl F25 N4 O P Pd S2 -","- C77 H27 Cl F25 N4 O P Pd S2 -","- C154 H54 Cl2 F50 N8 O2 P2 Pd2 S4 -","2","1","","Sun, Meng; Xie, Yongshu; Baryshnikov, Glib; Li, Chengjie; Sha, Feng; Wu, Xinyan; Ågren, Hans; Li, Shijun; Li, Qizhao","Mono- and bis-Pd(ii) complexes of N-confused dithiahexaphyrin(1.1.1.1.1.0) with the absorption and aromaticity modulated by Pd(ii) coordination, macrocycle contraction and ancillary ligands.","Chemical science","2024","15","6","2047","2054","10.1039/d3sc05473j","","","0.71073","MoKα","","0.0575","0.0471","","","0.144","0.1539","","","","","","1.028","","","","has coordinates","290123","2024-03-04","20:02:14",""
"1570648","12.633","0.002","16.87","0.003","18.51","0.003","113.418","0.004","96.893","0.004","108.505","0.004","3292.5","1","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H11 F25 N4 O Pd S2 -","- C59 H11 F25 N4 O Pd S2 -","- C118 H22 F50 N8 O2 Pd2 S4 -","2","1","","Sun, Meng; Xie, Yongshu; Baryshnikov, Glib; Li, Chengjie; Sha, Feng; Wu, Xinyan; Ågren, Hans; Li, Shijun; Li, Qizhao","Mono- and bis-Pd(ii) complexes of N-confused dithiahexaphyrin(1.1.1.1.1.0) with the absorption and aromaticity modulated by Pd(ii) coordination, macrocycle contraction and ancillary ligands.","Chemical science","2024","15","6","2047","2054","10.1039/d3sc05473j","","","0.71073","MoKα","","0.1102","0.0708","","","0.1827","0.2058","","","","","","0.977","","","","has coordinates","290123","2024-03-04","20:02:14",""
"1570649","17.633","0.003","18.145","0.003","19.027","0.003","104.695","0.004","103.672","0.005","112.112","0.004","5067.6","1.5","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H12 F20 N4 O Pd S2 -","- C52 H12 F20 N4 O Pd S2 -","- C208 H48 F80 N16 O4 Pd4 S8 -","4","2","","Sun, Meng; Xie, Yongshu; Baryshnikov, Glib; Li, Chengjie; Sha, Feng; Wu, Xinyan; Ågren, Hans; Li, Shijun; Li, Qizhao","Mono- and bis-Pd(ii) complexes of N-confused dithiahexaphyrin(1.1.1.1.1.0) with the absorption and aromaticity modulated by Pd(ii) coordination, macrocycle contraction and ancillary ligands.","Chemical science","2024","15","6","2047","2054","10.1039/d3sc05473j","","","0.71073","MoKα","","0.0919","0.0685","","","0.2122","0.2321","","","","","","1.031","","","","has coordinates","290123","2024-03-04","20:02:14",""
"1570650","14.977","0.002","16.782","0.002","16.991","0.002","106.814","0.004","90.699","0.005","107.905","0.004","3866","0.8","213","2","213.15","","","","","","","","","8","P -1","-P 1","2","","","","- C87 H36 F25 N6 O P Pd2 S2 -","- C87 H36 F25 N6 O P Pd2 S2 -","- C174 H72 F50 N12 O2 P2 Pd4 S4 -","2","1","","Sun, Meng; Xie, Yongshu; Baryshnikov, Glib; Li, Chengjie; Sha, Feng; Wu, Xinyan; Ågren, Hans; Li, Shijun; Li, Qizhao","Mono- and bis-Pd(ii) complexes of N-confused dithiahexaphyrin(1.1.1.1.1.0) with the absorption and aromaticity modulated by Pd(ii) coordination, macrocycle contraction and ancillary ligands.","Chemical science","2024","15","6","2047","2054","10.1039/d3sc05473j","","","0.71073","MoKα","","0.089","0.0651","","","0.1592","0.1715","","","","","","1.0337","","","","has coordinates","290123","2024-03-04","20:02:14",""
"1570693","9.8733","0.0009","11.5417","0.001","17.0581","0.0017","90","","95.13","0.009","90","","1936.1","0.3","169.99","0.1","169.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 B F N O2 -","- C22 H23 B F N O2 -","- C88 H92 B4 F4 N4 O8 -","4","1","","Chen, Zunsheng; Nie, Biao; Li, Xiaoning; Liu, Teng; Li, Chunsheng; Huang, Jiuzhong","Ligand-controlled regiodivergent Ni-catalyzed <i>trans</i>-hydroboration/carboboration of internal alkynes with B<sub>2</sub>pin<sub>2</sub>.","Chemical science","2024","15","6","2236","2242","10.1039/d3sc04184k","","x-ray","0.71073","MoKα","","0.0627","0.0475","","","0.1094","0.1198","","","","","","1.045","","","","has coordinates","290125","2024-03-04","20:02:40",""
"1570694","7.0732","0.0003","12.8154","0.0005","12.8838","0.0005","109.101","0.004","103.862","0.004","102.475","0.004","1014.75","0.09","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C23 H26 B N O2 -","- C23 H26 B N O2 -","- C46 H52 B2 N2 O4 -","2","1","","Chen, Zunsheng; Nie, Biao; Li, Xiaoning; Liu, Teng; Li, Chunsheng; Huang, Jiuzhong","Ligand-controlled regiodivergent Ni-catalyzed <i>trans</i>-hydroboration/carboboration of internal alkynes with B<sub>2</sub>pin<sub>2</sub>.","Chemical science","2024","15","6","2236","2242","10.1039/d3sc04184k","","x-ray","1.54184","CuKα","","0.0884","0.0838","","","0.2317","0.2377","","","","","","1.037","","","","has coordinates","290125","2024-03-04","20:02:40",""
"1570695","14.9832","0.0005","9.6904","0.0004","13.4858","0.0004","90","","100.376","0.003","90","","1926.03","0.12","166","20","166","20","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 B N O2 -","- C20 H28 B N O2 -","- C80 H112 B4 N4 O8 -","4","1","","Chen, Zunsheng; Nie, Biao; Li, Xiaoning; Liu, Teng; Li, Chunsheng; Huang, Jiuzhong","Ligand-controlled regiodivergent Ni-catalyzed <i>trans</i>-hydroboration/carboboration of internal alkynes with B<sub>2</sub>pin<sub>2</sub>.","Chemical science","2024","15","6","2236","2242","10.1039/d3sc04184k","","x-ray","1.54184","CuKα","","0.0795","0.0634","","","0.1697","0.1779","","","","","","1.086","","","","has coordinates","290125","2024-03-04","20:02:40",""
"1570696","10.1597","0.0002","10.2937","0.0002","11.2498","0.0003","79.933","0.002","89.723","0.002","76.12","0.002","1123.73","0.04","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 B N O2 -","- C22 H24 B N O2 -","- C44 H48 B2 N2 O4 -","2","1","","Chen, Zunsheng; Nie, Biao; Li, Xiaoning; Liu, Teng; Li, Chunsheng; Huang, Jiuzhong","Ligand-controlled regiodivergent Ni-catalyzed <i>trans</i>-hydroboration/carboboration of internal alkynes with B<sub>2</sub>pin<sub>2</sub>.","Chemical science","2024","15","6","2236","2242","10.1039/d3sc04184k","","x-ray","1.54184","CuKα","","0.0665","0.0649","","","0.1629","0.1641","","","","","","1.065","","","","has coordinates","290125","2024-03-04","20:02:40",""
"1570697","9.6547","0.001","10.2621","0.0013","10.6861","0.0015","102.169","0.011","105.217","0.01","103.684","0.01","949.7","0.2","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 B N O2 -","- C22 H24 B N O2 -","- C44 H48 B2 N2 O4 -","2","1","","Chen, Zunsheng; Nie, Biao; Li, Xiaoning; Liu, Teng; Li, Chunsheng; Huang, Jiuzhong","Ligand-controlled regiodivergent Ni-catalyzed <i>trans</i>-hydroboration/carboboration of internal alkynes with B<sub>2</sub>pin<sub>2</sub>.","Chemical science","2024","15","6","2236","2242","10.1039/d3sc04184k","","x-ray","0.71073","MoKα","","0.0626","0.0498","","","0.1141","0.1232","","","","","","1.076","","","","has coordinates","290125","2024-03-04","20:02:40",""
"1570698","14.9152","0.0016","9.8681","0.0009","18.7455","0.0019","90","","111.468","0.004","90","","2567.6","0.5","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H27 F2 N3 O -","- C32 H27 F2 N3 O -","- C128 H108 F8 N12 O4 -","4","1","","Jiang, Yonggang; Liu, Dongxiang; Zhang, Lening; Qin, Cuirong; Li, Hui; Yang, Haitao; Walsh, Patrick J.; Yang, Xiaodong","Efficient construction of functionalized pyrroloindolines through cascade radical cyclization/intermolecular coupling.","Chemical science","2024","15","6","2205","2210","10.1039/d3sc05210a","","x-ray","0.71073","MoKα","","0.064","0.0503","","","0.1114","0.1184","","","","","","1.075","","","","has coordinates","290121","2024-03-04","20:00:39",""
"1570699","10.1447","0.0005","26.4984","0.0013","10.7233","0.0004","90","","106.691","0.002","90","","2761.2","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H31 F2 N3 O2 -","- C33 H31 F2 N3 O2 -","- C132 H124 F8 N12 O8 -","4","1","","Jiang, Yonggang; Liu, Dongxiang; Zhang, Lening; Qin, Cuirong; Li, Hui; Yang, Haitao; Walsh, Patrick J.; Yang, Xiaodong","Efficient construction of functionalized pyrroloindolines through cascade radical cyclization/intermolecular coupling.","Chemical science","2024","15","6","2205","2210","10.1039/d3sc05210a","","x-ray","0.71073","MoKα","","0.0721","0.0477","","","0.0987","0.1112","","","","","","1.047","","","","has coordinates","290121","2024-03-04","20:00:48",""
"1570700","32.828","0.003","32.828","0.003","17.2912","0.0017","90","","90","","90","","18634","3","170","","170","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C19 H26 N Ni O -","- C19 H26 N Ni O -","- C608 H832 N32 Ni32 O32 -","32","2","","Tian, Wanlu; Li, Chao; Tan, Chen; Chen, Min","Lewis acid-induced homo- and heterogeneous nickel catalysts for ethylene polymerization and copolymerization with polar monomers","Polymer Chemistry","2024","15","7","631","638","10.1039/D3PY01266B","","","0.71073","MoKα","","0.1118","0.0761","","","0.1774","0.1992","","","","","","1.015","","","","has coordinates,has disorder","290285","2024-03-04","20:46:43",""
"1570701","20.652","0.0017","4.902","0.0014","21.645","0.0014","90","","109.11","0.011","90","","2070.5","0.6","100","2","100","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C34 H19 B -","- C34 H19 B -","- C136 H76 B4 -","4","1","","Schnitzlein, Matthias; Shoyama, Kazutaka; Würthner, Frank","A highly fluorescent bora[6]helicene exhibiting circularly polarized light emission.","Chemical science","2024","15","8","2984","2989","10.1039/d3sc05171d","","","0.61992","synchrotron","","0.0794","0.0738","","","0.2748","0.2818","","","","","","1.164","","","","has coordinates","290114","2024-03-04","19:59:06",""
"1570702","34.63","0.0019","34.63","0.0019","4.803","0.0004","90","","90","","120","","4988.2","0.6","100","2","100","2","","","","","","","","3","R 3 :H","R 3","146","","","","- C34 H19 B -","- C34 H19 B -","- C306 H171 B9 -","9","1","","Schnitzlein, Matthias; Shoyama, Kazutaka; Würthner, Frank","A highly fluorescent bora[6]helicene exhibiting circularly polarized light emission.","Chemical science","2024","15","8","2984","2989","10.1039/d3sc05171d","","","0.6199","synchrotron","","0.0523","0.0474","","","0.1249","0.1291","","","","","","1.068","","","","has coordinates","290114","2024-03-04","19:59:06",""
"1570703","26.86","0.02","14.399","0.015","16.935","0.017","90","","106.99","0.11","90","","6264","11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C88 H64 B N3 O4 -","- C88 H64 B N3 O4 -","- C352 H256 B4 N12 O16 -","4","1","","Schnitzlein, Matthias; Shoyama, Kazutaka; Würthner, Frank","A highly fluorescent bora[6]helicene exhibiting circularly polarized light emission.","Chemical science","2024","15","8","2984","2989","10.1039/d3sc05171d","","","0.6199","synchrotron","","0.3558","0.1427","","","0.3528","0.4546","","","","","","1.179","","","","has coordinates","290114","2024-03-04","19:59:06",""
"1570704","13.6947","0.0012","23.467","0.002","5.2287","0.0006","90","","90","","90","","1680.4","0.3","100","0.5","100","0.5","","","","","","","","4","P 21 21 2","P 2 2ab","18","","5,6-Dimethylbenzo[<i>d</i>][1,3]oxatellurole","","- C9 H10 O Te -","- C9 H10 O Te -","- C72 H80 O8 Te8 -","8","2","HB4459","Ponzo, Samantha; Turner, Alanna; Fronczek, Frank R.; Junk, Thomas","5,6-Dimethylbenzo[d][1,3]oxatellurole","IUCrData","2024","9","1","","","10.1107/S2414314623010763","","","0.56086","AgKα","","0.0424","0.033","","","0.0585","0.0609","","","","","","1.054","","","","has coordinates","288715","2024-01-06","02:46:18",""
"1570705","10.9589","0.0004","9.328","0.0004","12.7255","0.0006","90","","90","","90","","1300.86","0.1","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","<i>rac</i>-Hydroxyisovaleric acid","<i>rac</i>-2-Hydroxy-3-methylbutanoic acid","","- C5 H10 O3 -","- C5 H10 O3 -","- C40 H80 O24 -","8","1","BT4145","Dasi, Lukhanyo; Hosten, Eric Cyriel; Betz, Richard","rac-Hydroxyisovaleric acid","IUCrData","2024","9","1","","","10.1107/S2414314623010933","","","0.71073","MoKα","","0.0425","0.0354","","","0.1011","0.1069","","","","","","1.049","","","","has coordinates","288716","2024-01-06","02:46:42",""
"1570723","3.8964","0.0001","3.8964","0.0001","41.289","0.0012","90","","90","","90","","626.85","0.03","","","298","","","","100","","","","","6","I 4/m m m","-I 4 2","139","Ca5(Sc0.4Ti0.6)4Fe2As2O11","","","- As2 Ca5 Fe2.38 O11 Sc1.62 Ti2.4 -","- As2 Ca5 Fe2 O11 Sc1.64 Ti2.36 -","- As4 Ca10 Fe4 O22 Sc3.28 Ti4.72 -","2","0.0625","","Simura, R.; Yatsu, Y.; Sakai, N.; Yamane, H.; Ogino, H.","Crystal structure of Ca5(Sc0.4Ti0.6)4Fe2As2O11","Journal of the Ceramic Society of Japan","2024","132","","34","37","10.2109/jcersj2.23163","","","","","","","","","","","","","","","","","","","","","has coordinates","288951","2024-01-08","02:47:25",""
"1570724","9.5459","0.0002","19.1854","0.0005","11.5679","0.0003","90","","93.009","0.001","90","","2115.65","0.09","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H23 Br N2 O2 S -","- C22 H23 Br N2 O2 S -","- C88 H92 Br4 N8 O8 S4 -","4","2","","Bulger, Ana S.; Nasrallah, Daniel J.; Tena Meza, Arismel; Garg, Neil K.","Enantioselective nickel-catalyzed Mizoroki-Heck cyclizations of amide electrophiles.","Chemical science","2024","15","7","2593","2600","10.1039/d3sc05797f","","","1.54178","CuKα","","0.0375","0.0329","","","0.07","0.0712","","","","","","1.04","","","","has coordinates","290130","2024-03-04","20:03:39",""
"1570745","17.1513","0.0008","13.5641","0.0007","20.7152","0.0009","90","","98.907","0.002","90","","4761.1","0.4","100","","100","","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H63 Ge N2 P Si -","- C55 H63 Ge N2 P Si -","- C220 H252 Ge4 N8 P4 Si4 -","4","1","","Sarkar, Debotra; Dutta, Sayan; Hanusch, Franziska; Koley, Debasis; Inoue, Shigeyoshi","Synthesis and reactivity of N-heterocyclic carbene (NHC)-supported heavier nitrile ylides.","Chemical science","2024","15","7","2391","2397","10.1039/d3sc06430a","","x-ray","0.71073","MoKα","","0.0337","0.0287","","","0.0721","0.0774","","","","","","1.075","","","","has coordinates","290131","2024-03-04","20:03:52",""
"1570746","12.462","0.01","15.316","0.011","14.954","0.009","90","","97.32","0.03","90","","2831","3","100","","100","","","","","","","","see text","7","P 1 21 1","P 2yb","4","","","","- C63 H79 N2 O2 P Si Sn -","- C63 H79 N2 O2 P Si Sn -","- C126 H158 N4 O4 P2 Si2 Sn2 -","2","1","","Sarkar, Debotra; Dutta, Sayan; Hanusch, Franziska; Koley, Debasis; Inoue, Shigeyoshi","Synthesis and reactivity of N-heterocyclic carbene (NHC)-supported heavier nitrile ylides.","Chemical science","2024","15","7","2391","2397","10.1039/d3sc06430a","","x-ray","0.71073","MoKα","","0.0239","0.0204","","","0.0475","0.049","","","","","","1.035","","","","has coordinates","290131","2024-03-04","20:03:53",""
"1570747","10.922","0.005","20.846","0.011","26.946","0.013","90","","94.951","0.019","90","","6112","5","100","","100","","","","","","","","see text","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H79 Ge N2 O2 P Si -","- C66 H79 Ge N2 O2 P Si -","- C264 H316 Ge4 N8 O8 P4 Si4 -","4","1","","Sarkar, Debotra; Dutta, Sayan; Hanusch, Franziska; Koley, Debasis; Inoue, Shigeyoshi","Synthesis and reactivity of N-heterocyclic carbene (NHC)-supported heavier nitrile ylides.","Chemical science","2024","15","7","2391","2397","10.1039/d3sc06430a","","x-ray","0.71073","MoKα","","0.069","0.0502","","","0.1129","0.1248","","","","","","1.089","","","","has coordinates,has disorder","290131","2024-03-04","20:03:53",""
"1570748","13.13","0.004","13.51","0.004","17.559","0.005","91.771","0.012","105.725","0.016","107.874","0.009","2831.2","1.5","100","","100","","","","","","","","see text","7","P -1","-P 1","2","","","","- C59 H73 Ge N2 O P5 Si -","- C59 H73 Ge N2 O P5 Si -","- C118 H146 Ge2 N4 O2 P10 Si2 -","2","1","","Sarkar, Debotra; Dutta, Sayan; Hanusch, Franziska; Koley, Debasis; Inoue, Shigeyoshi","Synthesis and reactivity of N-heterocyclic carbene (NHC)-supported heavier nitrile ylides.","Chemical science","2024","15","7","2391","2397","10.1039/d3sc06430a","","x-ray","0.71073","MoKα","","0.039","0.0322","","","0.0765","0.0814","","","","","","1.049","","","","has coordinates,has disorder","290131","2024-03-04","20:03:53",""
"1570749","24.596","0.005","28.305","0.006","29.247","0.006","64.888","0.008","81.085","0.009","81.878","0.009","18149","7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C243 H359 B2 Cl21 Cu58 F8 P8 S24 -","- C243 H359 B2 Cl21 Cu58 F8 P8 S24 -","- C486 H718 B4 Cl42 Cu116 F16 P16 S48 -","2","1","","Das, Anish Kumar; Biswas, Sourav; Pal, Amit; Manna, Surya Sekhar; Sardar, Avirup; Mondal, Pradip Kumar; Sahoo, Basudev; Pathak, Biswarup; Mandal, Sukhendu","A thiolated copper-hydride nanocluster with chloride bridging as a catalyst for carbonylative C-N coupling of aryl amines under mild conditions: a combined experimental and theoretical study.","Nanoscale","2024","16","7","3583","3590","10.1039/d3nr05912j","","","0.71073","MoKα","","0.3605","0.1233","","","0.2983","0.4415","","","","","","0.912","","","","has coordinates","291005","2024-04-04","23:56:20",""
"1570750","7.9583","0.0002","11.2703","0.0002","16.008","0.0005","83.0428","0.0018","86.9392","0.0013","76.5236","0.0018","1385.51","0.06","223","","223","","","","","","","","","4","P -1","-P 1","2","cis-Jasmone 4-methylthiosemicarbazone","<i>N</i>-Methyl-2-{3-methyl-2-[(2<i>Z</i>)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}hydrazinecarbothioamide","","- C13 H21 N3 S -","- C13 H21 N3 S -","- C52 H84 N12 S4 -","4","2","","Oliveira, Adriano Bof de; Bresolin, Leandro; Beck, Johannes; Daniels, Jörg","N-Methyl-2-{3-methyl-2-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}hydrazinecarbothioamide","IUCrData","2024","9","1","","","10.1107/S2414314624000130","","x-ray","0.71073","MoKα","","0.1129","0.0522","","","0.1144","0.1399","","","","","","1.031","","","","has coordinates,has disorder","289013","2024-01-10","02:47:29",""
"1570759","19.7309","0.0002","16.8006","0.0002","24.9013","0.0002","90","","93.538","0.001","90","","8238.82","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C120 H104 Cu4 N12 O38 -","- C120 H104 Cu4 N12 O38 -","- C240 H208 Cu8 N24 O76 -","2","0.5","","Doñagueda Suso, Beatriz; Wang, Zaoming; Kennedy, Alan R.; Fletcher, Ashleigh J.; Furukawa, Shuhei; Craig, Gavin A.","Improving the gas sorption capacity in lantern-type metal-organic polyhedra by a scrambled cage method.","Chemical science","2024","15","8","2857","2866","10.1039/d3sc06140j","","","1.54184","CuKα","","0.083","0.0782","","","0.2422","0.2468","","","","","","1.048","","","","has coordinates,has disorder","290117","2024-03-04","19:59:53",""
"1570760","19.9031","0.0002","16.7668","0.0001","24.9964","0.0002","90","","94.081","0.001","90","","8320.43","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C148.66 H167.11 Cu4 N18.66 O46.56 -","- C148.668 H167.12 Cu4 N18.66 O46.56 -","- C297.336 H334.24 Cu8 N37.32 O93.12 -","2","0.5","","Doñagueda Suso, Beatriz; Wang, Zaoming; Kennedy, Alan R.; Fletcher, Ashleigh J.; Furukawa, Shuhei; Craig, Gavin A.","Improving the gas sorption capacity in lantern-type metal-organic polyhedra by a scrambled cage method.","Chemical science","2024","15","8","2857","2866","10.1039/d3sc06140j","","","1.54184","CuKα","","0.1073","0.0995","","","0.3353","0.347","","","","","","1.593","","","","has coordinates,has disorder","290117","2024-03-04","19:59:54",""
"1570761","19.9329","0.0002","16.7488","0.0002","25.2197","0.0002","90","","94.831","0.001","90","","8389.74","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C151.32 H173.29 Cu4 N18.66 O46.56 -","- C151.316 H173.292 Cu4 N18.66 O46.56 -","- C302.632 H346.584 Cu8 N37.32 O93.12 -","2","0.5","","Doñagueda Suso, Beatriz; Wang, Zaoming; Kennedy, Alan R.; Fletcher, Ashleigh J.; Furukawa, Shuhei; Craig, Gavin A.","Improving the gas sorption capacity in lantern-type metal-organic polyhedra by a scrambled cage method.","Chemical science","2024","15","8","2857","2866","10.1039/d3sc06140j","","","1.54184","CuKα","","0.1104","0.105","","","0.3576","0.366","","","","","","1.7","","","","has coordinates,has disorder","290117","2024-03-04","19:59:54",""
"1570762","19.834","0.0002","16.8359","0.0002","25.5694","0.0002","90","","96.331","0.001","90","","8486.15","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C138.88 H142.27 Cu4 N15.16 O44.67 -","- C138.88 H142.262 Cu4 N15.158 O44.672 -","- C277.76 H284.524 Cu8 N30.316 O89.344 -","2","0.5","","Doñagueda Suso, Beatriz; Wang, Zaoming; Kennedy, Alan R.; Fletcher, Ashleigh J.; Furukawa, Shuhei; Craig, Gavin A.","Improving the gas sorption capacity in lantern-type metal-organic polyhedra by a scrambled cage method.","Chemical science","2024","15","8","2857","2866","10.1039/d3sc06140j","","","1.54184","CuKα","","0.1453","0.1366","","","0.4207","0.4323","","","","","","1.963","","","","has coordinates,has disorder","290117","2024-03-04","19:59:54",""
"1570763","10.854","0.005","10.173","0.005","16.146","0.007","90","","95.651","0.014","90","","1774.1","1.4","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 N O3 S -","- C22 H15 N O3 S -","- C88 H60 N4 O12 S4 -","4","1","","Shi, Zhaojiang; Dong, Shicheng; Liu, Ting; Wang, Wei-Zhen; Li, Nan; Yuan, Yaofeng; Zhu, Jun; Ye, Ke-Yin","Electrochemical cascade migratory <i>versus ortho</i>-cyclization of 2-alkynylbenzenesulfonamides.","Chemical science","2024","15","8","2827","2832","10.1039/d3sc05229j","","","0.71073","MoKα","","0.064","0.0407","","","0.0901","0.0983","","","","","","1.067","","","","has coordinates","290111","2024-03-04","19:58:22",""
"1570764","8.9567","0.0012","10.129","0.0013","11.0747","0.0014","115.736","0.004","95.407","0.004","101.18","0.004","869.6","0.2","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H15 N O3 S -","- C22 H15 N O3 S -","- C44 H30 N2 O6 S2 -","2","1","","Shi, Zhaojiang; Dong, Shicheng; Liu, Ting; Wang, Wei-Zhen; Li, Nan; Yuan, Yaofeng; Zhu, Jun; Ye, Ke-Yin","Electrochemical cascade migratory <i>versus ortho</i>-cyclization of 2-alkynylbenzenesulfonamides.","Chemical science","2024","15","8","2827","2832","10.1039/d3sc05229j","","","0.71073","MoKα","","0.0628","0.0456","","","0.114","0.1221","","","","","","1.036","","","","has coordinates","290111","2024-03-04","19:58:22",""
"1570765","13.7479","0.0009","17.9258","0.0009","14.2154","0.0008","90","","94.773","0.003","90","","3491.1","0.3","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H15 N O3 S -","- C22 H15 N O3 S -","- C176 H120 N8 O24 S8 -","8","1","","Shi, Zhaojiang; Dong, Shicheng; Liu, Ting; Wang, Wei-Zhen; Li, Nan; Yuan, Yaofeng; Zhu, Jun; Ye, Ke-Yin","Electrochemical cascade migratory <i>versus ortho</i>-cyclization of 2-alkynylbenzenesulfonamides.","Chemical science","2024","15","8","2827","2832","10.1039/d3sc05229j","","","0.71073","MoKα","","0.0399","0.032","","","0.0813","0.0841","","","","","","1.042","","","","has coordinates","290111","2024-03-04","19:58:22",""
"1570766","8.9045","0.0005","10.4068","0.0005","11.071","0.0006","63.033","0.002","71.405","0.002","75.259","0.002","859.28","0.08","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H15 N O3 S -","- C22 H15 N O3 S -","- C44 H30 N2 O6 S2 -","2","1","","Shi, Zhaojiang; Dong, Shicheng; Liu, Ting; Wang, Wei-Zhen; Li, Nan; Yuan, Yaofeng; Zhu, Jun; Ye, Ke-Yin","Electrochemical cascade migratory <i>versus ortho</i>-cyclization of 2-alkynylbenzenesulfonamides.","Chemical science","2024","15","8","2827","2832","10.1039/d3sc05229j","","","0.71073","MoKα","","0.0324","0.0308","","","0.0771","0.0781","","","","","","1.062","","","","has coordinates","290111","2024-03-04","19:58:22",""
"1570767","8.086","0.003","5.5939","0.0014","38.073","0.011","90","","94.504","0.01","90","","1716.8","0.9","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 N O4 S -","- C21 H13 N O4 S -","- C84 H52 N4 O16 S4 -","4","1","","Shi, Zhaojiang; Dong, Shicheng; Liu, Ting; Wang, Wei-Zhen; Li, Nan; Yuan, Yaofeng; Zhu, Jun; Ye, Ke-Yin","Electrochemical cascade migratory <i>versus ortho</i>-cyclization of 2-alkynylbenzenesulfonamides.","Chemical science","2024","15","8","2827","2832","10.1039/d3sc05229j","","","0.71073","MoKα","","0.1055","0.0513","","","0.1048","0.1233","","","","","","1.012","","","","has coordinates","290111","2024-03-04","19:58:22",""
"1570768","9.6958","0.0003","17.1453","0.0005","18.5627","0.0006","85.106","0.002","77.072","0.002","78.794","0.002","2947.43","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Diadamantanocyclophane dialdehyde (DADA)","","","- C44 H50 O2 S4 -","- C44 H50 O2 S4 -","- C132 H150 O6 S12 -","3","1.5","","Mohanan, Manikandan; Zhang, Xinran; Gavvalapalli, Nagarjuna","π-Face strapped monomers enable self-stabilized hyperbranched π-conjugated polymer particles","Polymer Chemistry","2024","15","5","422","430","10.1039/D3PY01158E","","","0.71073","MoKα","","0.1073","0.0559","","","0.1169","0.1388","","","","","","1.012","","","","has coordinates","289646","2024-02-04","12:32:43",""
"1570769","10.8836","0.0004","10.8836","0.0004","47.541","0.005","90","","90","","90","","5631.4","0.7","100","2","100","2","","","","","","","","5","I 41","I 4bw","80","","copper tetraisopropylporphyrin dichloromethane solvate","","- C130 H148 Cl4 Cu4 N16 -","- C130 H148 Cl4 Cu4 N16 -","- C260 H296 Cl8 Cu8 N32 -","2","0.25","","Kazmierczak, Nathanael P.; Lopez, Nathan E.; Luedecke, Kaitlin M.; Hadt, Ryan G.","Determining the key vibrations for spin relaxation in ruffled Cu(ii) porphyrins <i>via</i> resonance Raman spectroscopy.","Chemical science","2024","15","7","2380","2390","10.1039/d3sc05774g","","","1.54178","CuKα","","0.0468","0.0408","","","0.1104","0.1165","","","","","","1.04","","","","has coordinates,has disorder","290132","2024-03-04","20:04:02",""
"1570770","9.9467","0.0004","10.7574","0.0006","19.8365","0.0009","90","","90","","90","","2122.52","0.17","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 O4 Si -","- C21 H26 N2 O4 Si -","- C84 H104 N8 O16 Si4 -","4","1","","Guerzoni, Michael G.; van Ingen, Yara; Babaahmadi, Rasool; Wirth, Thomas; Richards, Emma; Melen, Rebecca L.","An un-forgotten classic: the nitro-Mannich reaction between nitrones and silyl nitronates catalysed by B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>.","Chemical science","2024","15","7","2648","2654","10.1039/d3sc05672d","","","0.71073","MoKα","","0.0418","0.0354","","","0.0816","0.0858","","","","","","1.03","","","","has coordinates","290129","2024-03-04","20:03:33",""
"1570771","15.3631","0.0005","11.8472","0.0003","22.4626","0.0007","90","","90.492","0.003","90","","4088.3","0.2","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H26 N2 O3 Si -","- C19 H26 N2 O3 Si -","- C152 H208 N16 O24 Si8 -","8","2","","Guerzoni, Michael G.; van Ingen, Yara; Babaahmadi, Rasool; Wirth, Thomas; Richards, Emma; Melen, Rebecca L.","An un-forgotten classic: the nitro-Mannich reaction between nitrones and silyl nitronates catalysed by B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>.","Chemical science","2024","15","7","2648","2654","10.1039/d3sc05672d","","","0.71073","MoKα","","0.0409","0.0364","","","0.0952","0.0988","","","","","","1.025","","","","has coordinates","290129","2024-03-04","20:03:33",""
"1570772","13.0639","0.0004","11.4369","0.0003","19.0593","0.0005","90","","93.949","0.002","90","","2840.9","0.14","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H13 B F15 N O -","- C32 H13 B F15 N O -","- C128 H52 B4 F60 N4 O4 -","4","1","","Guerzoni, Michael G.; van Ingen, Yara; Babaahmadi, Rasool; Wirth, Thomas; Richards, Emma; Melen, Rebecca L.","An un-forgotten classic: the nitro-Mannich reaction between nitrones and silyl nitronates catalysed by B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>.","Chemical science","2024","15","7","2648","2654","10.1039/d3sc05672d","","","1.54178","CuKα","","0.0587","0.0458","","","0.1243","0.1369","","","","","","1.013","","","","has coordinates","290129","2024-03-04","20:03:33",""
"1570773","18.4252","0.0005","8.0582","0.0003","20.1712","0.0006","90","","107.799","0.003","90","","2851.55","0.16","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H13 B F15 N O -","- C32 H13 B F15 N O -","- C128 H52 B4 F60 N4 O4 -","4","1","","Guerzoni, Michael G.; van Ingen, Yara; Babaahmadi, Rasool; Wirth, Thomas; Richards, Emma; Melen, Rebecca L.","An un-forgotten classic: the nitro-Mannich reaction between nitrones and silyl nitronates catalysed by B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>.","Chemical science","2024","15","7","2648","2654","10.1039/d3sc05672d","","","1.54178","CuKα","","0.0626","0.0514","","","0.1287","0.1353","","","","","","1.149","","","","has coordinates","290129","2024-03-04","20:03:33",""
"1570774","9.0442","0.0006","9.8687","0.0006","16.26","0.001","83.784","0.005","80.686","0.005","75.18","0.005","1381.1","0.15","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H11 B F15 N O -","- C31 H11 B F15 N O -","- C62 H22 B2 F30 N2 O2 -","2","1","","Guerzoni, Michael G.; van Ingen, Yara; Babaahmadi, Rasool; Wirth, Thomas; Richards, Emma; Melen, Rebecca L.","An un-forgotten classic: the nitro-Mannich reaction between nitrones and silyl nitronates catalysed by B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>.","Chemical science","2024","15","7","2648","2654","10.1039/d3sc05672d","","","1.54178","CuKα","","0.0727","0.0575","","","0.1472","0.1609","","","","","","1.057","","","","has coordinates","290129","2024-03-04","20:03:33",""
"1570778","14.7877","0.0006","9.9287","0.0004","9.523","0.0003","90","","95.233","0.004","90","","1392.36","0.09","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichlorido(4,7-dimethoxy-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)","","- C14 H12 Cl2 N2 O2 Zn -","- C14 H12 Cl2 N2 O2 Zn -","- C56 H48 Cl8 N8 O8 Zn4 -","4","0.5","WM4203","Rose, Nalani P.; Arman, Hadi D.; Adrian, Rafael A.","Dichlorido(4,7-dimethoxy-1,10-phenanthroline-κ2 N,N′)zinc(II)","IUCrData","2024","9","1","","","10.1107/S2414314624000373","","x-ray","1.54184","CuKα","","0.031","0.0284","","","0.0768","0.0783","","","","","","1.07","","","","has coordinates","289079","2024-01-13","02:43:26",""
"1570779","6.5385","0.0002","16.7263","0.0008","19.0096","0.0011","90","","90","","90","","2078.98","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>trans</i>-Dichloridobis[(<i>S</i>)-(–)-1-(4-methylphenyl)ethylamine-κ<i>N</i>]palladium(II)","","- C18 H26 Cl2 N2 Pd -","- C18 H26 Cl2 N2 Pd -","- C72 H104 Cl8 N8 Pd4 -","4","1","WM4204","Hernández Téllez, Guadalupe; Moreno Morales, Gloria E.; Sharma, Pankaj; Gonzalez, Rodary; Anzaldo, Bertin","trans-Dichloridobis[(S)-(−)-1-(4-methylphenyl)ethylamine-κN]palladium(II)","IUCrData","2024","9","1","","","10.1107/S2414314624000361","","","0.71073","MoKα","","0.0798","0.0492","","","0.0851","0.0954","","","","","","1.046","","","","has coordinates","289080","2024-01-13","02:43:52",""
"1570780","9.4435","0.0003","9.4435","0.0003","15.3288","0.0006","90","","90","","120","","1183.87","0.07","296","","296","","","","","","","","","4","P 63 c m","P 6c -2","185","","","","- Ba2 F31 K3 Zr6 -","- Ba2 F31 K3 Zr6 -","- Ba4 F62 K6 Zr12 -","2","0.166667","","Yan, Mei; Tang, Ru-Ling; Yao, Wen-Dong; Liu, Wenlong; Guo, Sheng-Ping","Exploring a new short-wavelength nonlinear optical fluoride material featuring unprecedented polar <i>cis</i>-[Zr<sub>6</sub>F<sub>34</sub>]<sup>10-</sup> clusters.","Chemical science","2024","15","8","2883","2888","10.1039/d3sc06683e","","","0.71073","MoKα","","0.0163","0.0163","","","0.0376","0.0377","","","","","","1.166","","","","has coordinates","290118","2024-03-04","20:00:00",""
"1570781","15.28922","0.00015","16.70934","0.00013","27.2586","0.0002","90","","93.5087","0.0008","90","","6950.78","0.1","110","0.1","110","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C78 H65 Cl F6 P5 Pd3 Sb -","- C78 H65 Cl F6 P5 Pd3 Sb -","- C312 H260 Cl4 F24 P20 Pd12 Sb4 -","4","1","","Jeddi, Neda; Scott, Neil W. J.; Tanner, Theo; Beaumont, Simon K.; Fairlamb, Ian J. S.","Evidence for Suzuki-Miyaura cross-couplings catalyzed by ligated Pd<sub>3</sub>-clusters: from cradle to grave.","Chemical science","2024","15","8","2763","2777","10.1039/d3sc06447f","","x-ray","1.54184","CuKα","","0.0366","0.0303","","","0.0776","0.0827","","","","","","0.996","","","","has coordinates","290110","2024-03-04","19:58:13",""
"1570782","5.4496","0.0002","20.6183","0.0006","13.2918","0.0004","90","","99.854","0.001","90","","1471.45","0.08","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","29","","- C17 H10 Br N O3 -","- C17 H10 Br N O3 -","- C68 H40 Br4 N4 O12 -","4","1","","He, Yi; Wang, Juanjuan; Zhu, Tongtong; Zheng, Zhaojing; Wei, Hao","Nitrogen atom insertion into arenols to access benzazepines.","Chemical science","2024","15","7","2612","2617","10.1039/d3sc05367a","","","1.34138","GaKα","","0.0374","0.0344","","","0.0934","0.0962","","","","","","1.081","","","","has coordinates","290127","2024-03-04","20:02:58",""
"1570783","7.762","0.0005","12.9308","0.0009","15.9453","0.001","90","","94.829","0.002","90","","1594.73","0.18","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","399","","- C21 H15 N O3 -","- C21 H15 N O3 -","- C84 H60 N4 O12 -","4","1","","He, Yi; Wang, Juanjuan; Zhu, Tongtong; Zheng, Zhaojing; Wei, Hao","Nitrogen atom insertion into arenols to access benzazepines.","Chemical science","2024","15","7","2612","2617","10.1039/d3sc05367a","","","1.34138","GaKα","","0.1257","0.0477","","","0.0962","0.1195","","","","","","0.947","","","","has coordinates","290127","2024-03-04","20:02:58",""
"1570784","7.7369","0.0006","9.7927","0.0009","16.8291","0.0016","90","","100.727","0.004","90","","1252.78","0.19","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","375","","- C15 H12 N2 O3 -","- C15 H12 N2 O3 -","- C60 H48 N8 O12 -","4","1","","He, Yi; Wang, Juanjuan; Zhu, Tongtong; Zheng, Zhaojing; Wei, Hao","Nitrogen atom insertion into arenols to access benzazepines.","Chemical science","2024","15","7","2612","2617","10.1039/d3sc05367a","","","1.34138","GaKα","","0.1478","0.0935","","","0.2433","0.3017","","","","","","1.084","","","","has coordinates","290127","2024-03-04","20:02:58",""
"1570785","9.2818","0.0003","14.7927","0.0005","19.3153","0.0007","90","","95.886","0.001","90","","2638.06","0.16","105","","105","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 Cu F15 P -","- C22 H27 Cu F15 P -","- C88 H108 Cu4 F60 P4 -","4","1","","Sievers, Robin; Reimann, Marc; Kub, Nico G.; Rupf, Susanne M.; Kaupp, Martin; Malischewski, Moritz","Synthesis and structural characterization of stable coinage metal (Cu, Ag, Au) cyclopentadienyl complexes.","Chemical science","2024","15","8","2990","2995","10.1039/d3sc06299f","","","0.71073","MoKα","","0.0764","0.0658","","","0.1896","0.2008","","","","","","1.06","","","","has coordinates,has disorder","290112","2024-03-04","19:58:37",""
"1570786","9.4791","0.0008","10.7301","0.0009","14.7059","0.0013","90.169","0.003","90.23","0.003","116.097","0.003","1343.2","0.2","105","","105","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H27 Ag F15 P -","- C22 H27 Ag F15 P -","- C44 H54 Ag2 F30 P2 -","2","1","","Sievers, Robin; Reimann, Marc; Kub, Nico G.; Rupf, Susanne M.; Kaupp, Martin; Malischewski, Moritz","Synthesis and structural characterization of stable coinage metal (Cu, Ag, Au) cyclopentadienyl complexes.","Chemical science","2024","15","8","2990","2995","10.1039/d3sc06299f","","","0.71073","MoKα","","0.0424","0.0403","","","0.1148","0.1169","","","","","","1.082","","","","has coordinates","290112","2024-03-04","19:58:37",""
"1570787","10.7338","0.0003","17.1617","0.0006","17.323","0.0006","112.222","0.001","102.595","0.001","104.552","0.001","2679.07","0.16","105","","105","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H27 Au F15 P -","- C22 H27 Au F15 P -","- C88 H108 Au4 F60 P4 -","4","2","","Sievers, Robin; Reimann, Marc; Kub, Nico G.; Rupf, Susanne M.; Kaupp, Martin; Malischewski, Moritz","Synthesis and structural characterization of stable coinage metal (Cu, Ag, Au) cyclopentadienyl complexes.","Chemical science","2024","15","8","2990","2995","10.1039/d3sc06299f","","","1.54178","CuKα","","0.0362","0.0332","","","0.103","0.1067","","","","","","1.126","","","","has coordinates","290112","2024-03-04","19:58:37",""
"1570788","10.7938","0.0003","19.4422","0.0005","17.8596","0.0005","90","","104.394","0.003","90","","3630.28","0.18","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Nd(Cptt)3","","- C39 H63 Nd -","- C39 H63 Nd -","- C156 H252 Nd4 -","4","1","","Nodaraki, Lydia E.; Liu, Jingjing; Ariciu, Ana-Maria; Ortu, Fabrizio; Oakley, Meagan S.; Birnoschi, Letitia; Gransbury, Gemma K.; Cobb, Philip J.; Emerson-King, Jack; Chilton, Nicholas F.; Mills, David P.; McInnes, Eric J. L.; Tuna, Floriana","Metal-carbon bonding in early lanthanide substituted cyclopentadienyl complexes probed by pulsed EPR spectroscopy.","Chemical science","2024","15","8","3003","3010","10.1039/d3sc06175b","","","0.71073","MoKα","","0.065","0.0451","","","0.0856","0.0968","","","","","","1.064","","","","has coordinates","290109","2024-03-04","19:58:04",""
"1570789","10.7001","0.0008","18.4935","0.0009","19.7113","0.0013","83.299","0.005","77.365","0.006","74.64","0.005","3662.9","0.4","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H63 La -","- C39 H63 La -","- C156 H252 La4 -","4","2","","Nodaraki, Lydia E.; Liu, Jingjing; Ariciu, Ana-Maria; Ortu, Fabrizio; Oakley, Meagan S.; Birnoschi, Letitia; Gransbury, Gemma K.; Cobb, Philip J.; Emerson-King, Jack; Chilton, Nicholas F.; Mills, David P.; McInnes, Eric J. L.; Tuna, Floriana","Metal-carbon bonding in early lanthanide substituted cyclopentadienyl complexes probed by pulsed EPR spectroscopy.","Chemical science","2024","15","8","3003","3010","10.1039/d3sc06175b","","","0.71073","MoKα","","0.095","0.0559","","","0.0809","0.0926","","","","","","0.996","","","","has coordinates,has disorder","290109","2024-03-04","19:58:05",""
"1570790","10.4236","0.0003","17.9728","0.0005","17.9093","0.0005","90","","90.648","0.002","90","","3354.94","0.16","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C136 H198 Mn4 N8 O9 P8 -","- C136 H198 Mn4 N8 O9 P8 -","- C136 H198 Mn4 N8 O9 P8 -","1","0.25","","Thiyagarajan, Subramanian; Diskin-Posner, Yael; Montag, Michael; Milstein, David","Manganese-catalyzed base-free addition of saturated nitriles to unsaturated nitriles by template catalysis.","Chemical science","2024","15","7","2571","2577","10.1039/d3sc04935c","","x-ray","0.71073","MoKα","","0.0585","0.0434","","","0.0999","0.1057","","","","","","1.072","","","","has coordinates","290126","2024-03-04","20:02:50",""
"1570791","9.5026","0.0005","16.911","0.0006","21.3649","0.001","90","","100.11","0.004","90","","3380","0.3","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H49 Mn N2 O2 P2 -","- C34 H49 Mn N2 O2 P2 -","- C136 H196 Mn4 N8 O8 P8 -","4","2","","Thiyagarajan, Subramanian; Diskin-Posner, Yael; Montag, Michael; Milstein, David","Manganese-catalyzed base-free addition of saturated nitriles to unsaturated nitriles by template catalysis.","Chemical science","2024","15","7","2571","2577","10.1039/d3sc04935c","","x-ray","1.54184","CuKα","","0.0978","0.0888","","","0.2071","0.214","","","","","","1.058","","","","has coordinates","290126","2024-03-04","20:02:50",""
"1570792","12.718","0.0005","8.3994","0.0003","5.375","0.0002","90","","90","","90","","574.18","0.04","281.7","0.2","281.7","0.2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Lu Na O6 Se2 -","- Lu Na O6 Se2 -","- Lu4 Na4 O24 Se8 -","4","1","","Li, Peng-Fei; Hu, Chun-Li; Mao, Jiang-Gao; Kong, Fang","A UV non-hydrogen pure selenite nonlinear optical material for achieving balanced properties through framework-optimized structural transformation.","Materials horizons","2024","11","7","1704","1709","10.1039/d3mh01790g","","x-ray","0.71073","MoKα","","0.0214","0.02","","","0.0416","0.0419","","","","","","1","","","","has coordinates","291073","2024-04-05","00:19:10",""
"1570793","13.9175","0.0004","14.8192","0.0004","19.2412","0.0005","89.702","0.002","77.628","0.002","79.792","0.002","3812.69","0.18","172.99","0.1","172.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C85 H94 B N5 -","- C85 H94 B N5 -","- C170 H188 B2 N10 -","2","1","","Du, Mingxu; Mai, Minqiang; Zhang, Dongdong; Duan, Lian; Zhang, Yuewei","Stereo effects for efficient synthesis of orange-red multiple resonance emitters centered on a pyridine ring.","Chemical science","2024","15","9","3148","3154","10.1039/d3sc06470k","","x-ray","1.54184","CuKα","","0.074","0.0656","","","0.1843","0.1923","","","","","","1.037","","","","has coordinates,has disorder","290136","2024-03-04","20:05:12",""
"1570794","10.681","0.0002","13.7656","0.0002","22.8895","0.0004","90","","93.616","0.001","90","","3358.75","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(SIMes)AgBHT","(SIMes)AgOAr","","- C36 H49 Ag N2 O -","- C36 H49 Ag N2 O -","- C144 H196 Ag4 N8 O4 -","4","1","","Hansen, Colin; Docherty, Scott R.; Cao, Weicheng; Yakimov, Alexander V.; Copéret, Christophe","<sup>109</sup>Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials.","Chemical science","2024","15","8","3028","3032","10.1039/d3sc04067d","","x-ray","1.54184","CuKα","","0.0266","0.0262","","","0.0737","0.074","","","","","","1.146","","","","has coordinates","290116","2024-03-04","19:59:34",""
"1570795","10.1212","0.0001","11.216","0.0002","14.9017","0.0002","109.269","0.001","90.061","0.001","109.016","0.001","1498.5","0.04","100.01","0.1","100.15","","","","","","","","","4","P -1","-P 1","2","","(IMes)AgMes","","- C33.5 H39 Ag N2 -","- C33.5 H39 Ag N2 -","- C67 H78 Ag2 N4 -","2","1","","Hansen, Colin; Docherty, Scott R.; Cao, Weicheng; Yakimov, Alexander V.; Copéret, Christophe","<sup>109</sup>Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials.","Chemical science","2024","15","8","3028","3032","10.1039/d3sc04067d","","","1.54184","CuKα","","0.026","0.0259","","","0.0715","0.0716","","","","","","1.098","","","","has coordinates,has disorder","290116","2024-03-04","19:59:34",""
"1570796","15.7456","0.0003","16.8545","0.0004","19.8172","0.0005","90","","90","","90","","5259.2","0.2","100.1","0.3","100.1","0.3","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(SIMes)AgMes","","- C30 H37 Ag N2 -","- C30 H37 Ag N2 -","- C240 H296 Ag8 N16 -","8","1","","Hansen, Colin; Docherty, Scott R.; Cao, Weicheng; Yakimov, Alexander V.; Copéret, Christophe","<sup>109</sup>Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials.","Chemical science","2024","15","8","3028","3032","10.1039/d3sc04067d","","x-ray","1.54184","CuKα","","0.0384","0.0372","","","0.1024","0.1035","","","","","","1.088","","","","has coordinates","290116","2024-03-04","19:59:34",""
"1570797","17.3928","0.0006","14.3855","0.0004","17.9551","0.0006","90","","112.995","0.004","90","","4135.5","0.3","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(SIMes)AgMe","","- C22 H29 Ag N2 -","- C22 H29 Ag N2 -","- C176 H232 Ag8 N16 -","8","2","","Hansen, Colin; Docherty, Scott R.; Cao, Weicheng; Yakimov, Alexander V.; Copéret, Christophe","<sup>109</sup>Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials.","Chemical science","2024","15","8","3028","3032","10.1039/d3sc04067d","","x-ray","1.54184","CuKα","","0.033","0.032","","","0.0877","0.0884","","","","","","1.113","","","","has coordinates","290116","2024-03-04","19:59:34",""
"1570798","11.1099","0.0002","16.5691","0.0002","19.2966","0.0003","90","","104.487","0.002","90","","3439.2","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(SIMes)AgOTBOS","(SIMes)Ag(OSi(OtBu)3)","","- C33 H53 Ag N2 O4 Si -","- C33 H53 Ag N2 O4 Si -","- C132 H212 Ag4 N8 O16 Si4 -","4","1","","Hansen, Colin; Docherty, Scott R.; Cao, Weicheng; Yakimov, Alexander V.; Copéret, Christophe","<sup>109</sup>Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials.","Chemical science","2024","15","8","3028","3032","10.1039/d3sc04067d","","x-ray","1.54184","CuKα","","0.03","0.0298","","","0.085","0.0852","","","","","","1.129","","","","has coordinates","290116","2024-03-04","19:59:34",""
"1570799","11.1581","0.0002","16.6129","0.0002","19.1762","0.0003","90","","104.952","0.002","90","","3434.31","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(IMes)AgTBOS","(IMes)Ag(OSi(OtBu)3)","","- C33 H51 Ag N2 O4 Si -","- C33 H51 Ag N2 O4 Si -","- C132 H204 Ag4 N8 O16 Si4 -","4","1","","Hansen, Colin; Docherty, Scott R.; Cao, Weicheng; Yakimov, Alexander V.; Copéret, Christophe","<sup>109</sup>Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials.","Chemical science","2024","15","8","3028","3032","10.1039/d3sc04067d","","x-ray","0.71073","MoKα","","0.0485","0.038","","","0.0857","0.09","","","","","","1.19","","","","has coordinates","290116","2024-03-04","19:59:34",""
"1570800","20.852","0.004","44.031","0.012","13.785","0.004","90","","90","","90","","12656","6","100","","100","","","","","","","","","5","F d d 2","F 2 -2d","43","(SIMes)AgHMDS","(SIMes)Ag(N(SiMe3)2)","","- C27 H44 Ag N3 Si2 -","- C27 H44 Ag N3 Si2 -","- C432 H704 Ag16 N48 Si32 -","16","1","","Hansen, Colin; Docherty, Scott R.; Cao, Weicheng; Yakimov, Alexander V.; Copéret, Christophe","<sup>109</sup>Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials.","Chemical science","2024","15","8","3028","3032","10.1039/d3sc04067d","","","0.71073","MoKα","","0.0373","0.0329","","","0.0623","0.0642","","","","","","1.096","","","","has coordinates","290116","2024-03-04","19:59:34",""
"1570801","9.061","0.012","11.978","0.012","12.657","0.016","107.62","0.04","110.74","0.04","93.69","0.04","1202","3","193","2","193","2","","","","","","","","3","P 1","P 1","1","","","","- C26 H38 O6 -","- C26 H38 O6 -","- C52 H76 O12 -","2","2","","Yan, Dexiu; Matsuda, Yudai","Global genome mining-driven discovery of an unusual biosynthetic logic for fungal polyketide-terpenoid hybrids.","Chemical science","2024","15","8","3011","3017","10.1039/d3sc06001b","","","1.54178","CuKα","","0.0498","0.0454","","","0.1164","0.1216","","","","","","1.051","","","","has coordinates","290119","2024-03-04","20:00:08",""
"1570802","21.6821","0.0011","5.327","0.0004","22.9919","0.0015","90","","114.126","0.005","90","","2423.6","0.3","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H11 N O -","- C18 H11 N O -","- C144 H88 N8 O8 -","8","1","","Jiang, Wenlin; Liu, Ming; Li, Yanxun; Lin, Francis R.; Jen, Alex K.-Y.","Rational molecular design of multifunctional self-assembled monolayers for efficient hole selection and buried interface passivation in inverted perovskite solar cells.","Chemical science","2024","15","8","2778","2785","10.1039/d3sc05485c","","","1.54178","CuKα","","0.0407","0.0384","","","0.1037","0.1064","","","","","","1.068","","","","has coordinates","290115","2024-03-04","19:59:15",""
"1570803","15.7172","0.0003","5.2891","0.0001","31.0413","0.0007","90","","90","","90","","2580.46","0.09","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H11 N S -","- C18 H11 N S -","- C144 H88 N8 S8 -","8","2","","Jiang, Wenlin; Liu, Ming; Li, Yanxun; Lin, Francis R.; Jen, Alex K.-Y.","Rational molecular design of multifunctional self-assembled monolayers for efficient hole selection and buried interface passivation in inverted perovskite solar cells.","Chemical science","2024","15","8","2778","2785","10.1039/d3sc05485c","","","1.54178","CuKα","","0.0574","0.0509","","","0.1378","0.1458","","","","","","1.066","","","","has coordinates","290115","2024-03-04","19:59:16",""
"1570804","3.9819","0.0003","14.7672","0.0009","11.4435","0.0008","90","","94.161","0.007","90","","671.12","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H11 N3 O3 -","- C17 H11 N3 O3 -","- C34 H22 N6 O6 -","2","1","","Lv, Youming; Ye, Hebo; You, Lei","Multiple control of azoquinoline based molecular photoswitches.","Chemical science","2024","15","9","3290","3299","10.1039/d3sc05879d","","","1.3405","GaKα","","0.0863","0.0653","","","0.1683","0.1811","","","","","","1.013","","","","has coordinates","290134","2024-03-04","20:04:53",""
"1570805","9.1825","0.0005","9.2868","0.0007","10.5049","0.0008","91.395","0.006","104.674","0.006","99.577","0.005","852.44","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 N3 O6 S -","- C18 H15 N3 O6 S -","- C36 H30 N6 O12 S2 -","2","1","","Lv, Youming; Ye, Hebo; You, Lei","Multiple control of azoquinoline based molecular photoswitches.","Chemical science","2024","15","9","3290","3299","10.1039/d3sc05879d","","","1.3405","GaKα","","0.106","0.0657","","","0.1984","0.2205","","","","","","1.073","","","","has coordinates,has disorder","290134","2024-03-04","20:04:53",""
"1570806","7.4257","0.0002","13.6826","0.0004","15.0095","0.0005","80.434","0.003","78.161","0.003","81.361","0.003","1461.12","0.08","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 N6 O8 Zn -","- C34 H24 N6 O8 Zn -","- C68 H48 N12 O16 Zn2 -","2","1","","Lv, Youming; Ye, Hebo; You, Lei","Multiple control of azoquinoline based molecular photoswitches.","Chemical science","2024","15","9","3290","3299","10.1039/d3sc05879d","","x-ray","1.3405","GaKα","","0.0567","0.0482","","","0.1419","0.1481","","","","","","1.064","","","","has coordinates","290134","2024-03-04","20:04:53",""
"1570807","10.3354","0.0004","10.6777","0.0004","13.1615","0.0003","97.249","0.002","95.452","0.002","92.065","0.003","1432.66","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H22 Co N6 O7 -","- C34 H22 Co N6 O7 -","- C68 H44 Co2 N12 O14 -","2","1","","Lv, Youming; Ye, Hebo; You, Lei","Multiple control of azoquinoline based molecular photoswitches.","Chemical science","2024","15","9","3290","3299","10.1039/d3sc05879d","","","1.3405","GaKα","","0.0579","0.0482","","","0.1292","0.1356","","","","","","1.084","","","","has coordinates","290134","2024-03-04","20:04:53",""
"1570808","6.963","0.0006","12.2129","0.001","15.0009","0.0012","90","","98.316","0.008","90","","1262.24","0.18","100","0.2","100","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 N3 O2 -","- C16 H11 N3 O2 -","- C64 H44 N12 O8 -","4","1","","Lv, Youming; Ye, Hebo; You, Lei","Multiple control of azoquinoline based molecular photoswitches.","Chemical science","2024","15","9","3290","3299","10.1039/d3sc05879d","","x-ray","1.3405","GaKα","","0.0657","0.0589","","","0.1703","0.1771","","","","","","1.077","","","","has coordinates","290134","2024-03-04","20:04:53",""
"1570809","7.0419","0.0001","19.2513","0.0003","12.7175","0.0002","90","","100.513","0.002","90","","1695.12","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Bis(4-amino-3-nitrobenzoato-κ<i>O</i>)bis(4-amino-3-nitrobenzoic acid-κ<i>O</i>)diaquamanganese(II) dihydrate","","- C28 H30 Mn N8 O20 -","- C28 H30 Mn N8 O20 -","- C56 H60 Mn2 N16 O40 -","2","0.5","BV4050","Narmanova, Feruza S.; Turaev, Khayit Kh.; Ibragimov, Aziz B.; Ashurov, Jamshid M.","Synthesis and structure of trans-bis(4-amino-3-nitrobenzoato-κO)bis(4-amino-3-nitrobenzoic acid-κO)diaquamanganese(II) dihydrate","IUCrData","2024","9","1","","","10.1107/S2414314624000403","","","1.54184","CuKα","","0.0386","0.0348","","","0.0946","0.0972","","","","","","1.057","","","","has coordinates","289171","2024-01-20","02:49:16",""
"1570811","11.3235","0.0008","11.3235","0.0008","11.3235","0.0008","90","","90","","90","","1451.92","0.18","296","2","296","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Tetratitanium dinickel carbide","","- C Ni2 Ti4 -","- C Ni2 Ti4 -","- C16 Ni32 Ti64 -","16","0.0833333","WM4205","Liu, Huizi; Liang, Xinyu; Liu, Yibo; Fan, Changzeng; Wen, Bin; Zhang, Lifeng","Crystal structure of Ti4Ni2C","IUCrData","2024","9","1","","","10.1107/S2414314624000439","","","0.71073","MoKα","","0.0259","0.0237","","","0.0508","0.051","","","","","","1.216","","","","has coordinates","289173","2024-01-20","02:50:26",""
"1570812","13.389","0.004","13.389","0.004","13.389","0.004","90","","90","","90","","2400.2","1.2","100","","100","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Tetramethylammonium (henicosafluoridotetrabromate(V))-bromine pentafluoride (1/1)","","- C4 H12 Br5 F26 N -","- C4 H11.9997 Br5 F25.999 N -","- C16 H47.9988 Br20 F103.996 N4 -","4","0.333333","","Möbs, Martin; Graubner, Tim; Karttunen, Antti J.; Kraus, Florian","[Br<sub>4</sub>F<sub>21</sub>]<sup>-</sup> - a unique molecular tetrahedral interhalogen ion containing a μ<sub>4</sub>-bridging fluorine atom surrounded by BrF<sub>5</sub> molecules.","Chemical science","2024","15","9","3273","3278","10.1039/d3sc06688f","","","0.71073","MoKα","","0.0273","0.0248","","","0.0645","0.0655","","","","","","1.035","","","","has coordinates,has disorder","290135","2024-03-04","20:05:03",""
"1570813","23.8532","0.0003","21.0638","0.0003","21.3167","0.0003","90","","97.97","0.001","90","","10606.9","0.3","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C50 H51 B F15 K N O4 -","- C50 H51 B F15 K N O4 -","- C400 H408 B8 F120 K8 N8 O32 -","8","1","","Morales, Agustín; Gonçalves, Caroline; Sournia-Saquet, Alix; Vendier, Laure; Lledós, Agustí; Baslé, Olivier; Bontemps, Sébastien","Single electron reduction of NHC-CO<sub>2</sub>-borane compounds.","Chemical science","2024","15","9","3165","3173","10.1039/d3sc06325a","","x-ray","1.54184","CuKα","","0.0582","0.0529","","","0.1471","0.1518","","","","","","1.032","","","","has coordinates,has disorder","290133","2024-03-04","20:04:33",""
"1570814","11.4874","0.0002","20.6397","0.0004","15.6705","0.0003","90","","92.13","0.002","90","","3712.85","0.12","100","2","99.99","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C42 H32 B F15 N2 O2 -","- C42 H32 B F15 N2 O2 -","- C168 H128 B4 F60 N8 O8 -","4","1","","Morales, Agustín; Gonçalves, Caroline; Sournia-Saquet, Alix; Vendier, Laure; Lledós, Agustí; Baslé, Olivier; Bontemps, Sébastien","Single electron reduction of NHC-CO<sub>2</sub>-borane compounds.","Chemical science","2024","15","9","3165","3173","10.1039/d3sc06325a","","x-ray","1.54184","CuKα","","0.027","0.0264","","","0.0684","0.0687","","","","","","1.059","","","","has coordinates","290133","2024-03-04","20:04:33",""
"1570815","12.0583","0.0001","16.6138","0.0001","21.2222","0.0002","90","","96.569","0.001","90","","4223.62","0.06","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H36 B F15 N2 O2 -","- C46 H36 B F15 N2 O2 -","- C184 H144 B4 F60 N8 O8 -","4","1","","Morales, Agustín; Gonçalves, Caroline; Sournia-Saquet, Alix; Vendier, Laure; Lledós, Agustí; Baslé, Olivier; Bontemps, Sébastien","Single electron reduction of NHC-CO<sub>2</sub>-borane compounds.","Chemical science","2024","15","9","3165","3173","10.1039/d3sc06325a","","x-ray","1.54184","CuKα","","0.0458","0.038","","0.1088","0.1028","0.1088","","","","","","0.9784","","","","has coordinates","290133","2024-03-04","20:04:33",""
"1570816","32.364","0.007","11.022","0.002","23.039","0.005","90","","93.043","0.01","90","","8207","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C43 H37 B Cl2 F15 N O2 -","- C43 H37 B Cl2 F15 N O2 -","- C344 H296 B8 Cl16 F120 N8 O16 -","8","1","","Morales, Agustín; Gonçalves, Caroline; Sournia-Saquet, Alix; Vendier, Laure; Lledós, Agustí; Baslé, Olivier; Bontemps, Sébastien","Single electron reduction of NHC-CO<sub>2</sub>-borane compounds.","Chemical science","2024","15","9","3165","3173","10.1039/d3sc06325a","","","0.71073","MoKα","","0.037","0.032","","","0.0765","0.0802","","","","","","1.045","","","","has coordinates,has disorder","290133","2024-03-04","20:04:33",""
"1570817","17.6111","0.0004","17.6111","0.0004","26.4443","0.0006","90","","90","","90","","8201.7","0.3","173","2","173","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C12 H36 Ga3 Ho -","- C12 H36 Ga3 Ho -","- C192 H576 Ga48 Ho16 -","16","1","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.0434","0.0404","","","0.0773","0.0782","","","","","","1.395","","","","has coordinates","290838","2024-04-04","22:45:42",""
"1570818","10.8711","0.0006","15.7025","0.0009","12.4891","0.0007","90","","102.07","0.001","90","","2084.8","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H36 Dy Ga3 -","- C12 H36 Dy Ga3 -","- C48 H144 Dy4 Ga12 -","4","0.5","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.0196","0.0189","","","0.0479","0.0483","","","","","","1.065","","","","has coordinates","290838","2024-04-04","22:45:42",""
"1570819","11.8446","0.0008","12.0811","0.0008","15.8693","0.0011","81.388","0.002","80.802","0.002","66.125","0.002","2040.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H58 Al B Ho N7 -","- C35 H58 Al B Ho N7 -","- C70 H116 Al2 B2 Ho2 N14 -","2","1","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.0656","0.0432","","","0.0908","0.0992","","","","","","1.046","","","","has coordinates,has disorder","290838","2024-04-04","22:45:42",""
"1570820","11.4785","0.0019","17.511","0.003","14.619","0.002","90","","105.928","0.004","90","","2825.6","0.8","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C55 H91 B N9 O3 Y -","- C55 H91 B N9 O3 Y -","- C110 H182 B2 N18 O6 Y2 -","2","1","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.1104","0.0971","","","0.2325","0.2385","","","","","","1.115","","","","has coordinates,has disorder","290838","2024-04-04","22:45:42",""
"1570821","10.767","0.005","12.621","0.006","17.188","0.009","77.029","0.013","81.681","0.016","88.061","0.009","2252.1","1.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H69 B Ho N7 -","- C44 H69 B Ho N7 -","- C88 H138 B2 Ho2 N14 -","2","1","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.0371","0.0344","","","0.0907","0.0925","","","","","","1.057","","","","has coordinates","290838","2024-04-04","22:45:42",""
"1570822","9.564","0.0011","23.328","0.003","18.369","0.002","90","","100.874","0.002","90","","4024.7","0.8","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38.5 H62 Al0.86 B Dy Ga0.14 N7 -","- C38.5 H62 Al0.855 B Dy Ga0.145 N7 -","- C154 H248 Al3.42 B4 Dy4 Ga0.58 N28 -","4","1","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.0462","0.0334","","","0.0719","0.0773","","","","","","1.042","","","","has coordinates,has disorder","290838","2024-04-04","22:45:42",""
"1570823","41.94","0.003","11.5627","0.0007","19.9969","0.0012","90","","102.894","0.001","90","","9452.8","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46.5 H71 B Dy N9 -","- C46.5 H71 B Dy N9 -","- C372 H568 B8 Dy8 N72 -","8","1","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.0629","0.0385","","","0.0773","0.087","","","","","","1.022","","","","has coordinates","290838","2024-04-04","22:45:42",""
"1570824","21.5531","0.0009","11.2886","0.0005","19.1515","0.0008","90","","108.049","0.001","90","","4430.4","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C43 H68 Al B Ho N7 -","- C43 H68 Al B Ho N7 -","- C172 H272 Al4 B4 Ho4 N28 -","4","1","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.0237","0.0216","","","0.0429","0.0438","","","","","","1.015","","","","has coordinates,has disorder","290838","2024-04-04","22:45:42",""
"1570825","12.1758","0.0012","17.8931","0.0017","23.26","0.002","90","","96.643","0.002","90","","5033.5","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49.5 H76 B Dy N8 -","- C49.5 H76 B Dy N8 -","- C198 H304 B4 Dy4 N32 -","4","1","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.082","0.0439","","","0.0888","0.1048","","","","","","1.018","","","","has coordinates,has disorder","290838","2024-04-04","22:45:42",""
"1570826","41.814","0.002","11.5565","0.0006","20.0524","0.001","90","","102.683","0.002","90","","9453.4","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46.5 H71 B Ho N9 -","- C46.5 H71 B Ho N9 -","- C372 H568 B8 Ho8 N72 -","8","1","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.1002","0.0519","","","0.0805","0.0939","","","","","","1.013","","","","has coordinates","290838","2024-04-04","22:45:42",""
"1570827","42.723","0.006","10.3005","0.0013","21.324","0.002","90","","90.449","0.002","90","","9384","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H72 B2 Dy N7 -","- C44 H72 B2 Dy N7 -","- C352 H576 B16 Dy8 N56 -","8","1","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.0552","0.0376","","","0.0806","0.0888","","","","","","1.022","","","","has coordinates","290838","2024-04-04","22:45:42",""
"1570828","10.851","0.002","20.269","0.004","22.192","0.005","96.949","0.003","96.699","0.003","100.067","0.003","4722.8","1.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H80 B Ho N8 O -","- C48 H80 B Ho N8 O -","- C192 H320 B4 Ho4 N32 O4 -","4","2","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.0703","0.0412","","","0.0832","0.0941","","","","","","1.01","","","","has coordinates,has disorder","290838","2024-04-04","22:45:42",""
"1570829","11.6084","0.001","18.3503","0.0015","18.8307","0.0015","90","","98.396","0.002","90","","3968.3","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H61 B Dy N7 -","- C37 H61 B Dy N7 -","- C148 H244 B4 Dy4 N28 -","4","1","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.0368","0.0279","","","0.0623","0.0667","","","","","","1.052","","","","has coordinates,has disorder","290838","2024-04-04","22:45:42",""
"1570830","9.8291","0.001","13.4472","0.0012","18.5931","0.0017","96.149","0.002","100.699","0.002","110.456","0.002","2222.7","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39.5 H67 B Ga Ho N6 -","- C39.5 H67 B Ga Ho N6 -","- C79 H134 B2 Ga2 Ho2 N12 -","2","1","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.0601","0.0469","","","0.1284","0.137","","","","","","1.09","","","","has coordinates,has disorder","290838","2024-04-04","22:45:42",""
"1570831","19.7303","0.0009","11.5097","0.0005","37.3911","0.0018","90","","90","","90","","8491.1","0.7","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H69 B Dy N7 O1.5 -","- C42 H69 B Dy N7 O1.5 -","- C336 H552 B8 Dy8 N56 O12 -","8","2","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.0371","0.0316","","","0.0645","0.0669","","","","","","1.04","","","","has coordinates","290838","2024-04-04","22:45:42",""
"1570832","6.60006","0.00018","7.7434","0.0003","55.33","0.0013","90","","90","","90","","2827.75","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H46 O17 -","- C23 H46 O17 -","- C92 H184 O68 -","4","1","","Arishi, Amr A.; Shang, Zhuo; Lacey, Ernest; Crombie, Andrew; Vuong, Daniel; Li, Hang; Bracegirdle, Joe; Turner, Peter; Lewis, William; Flematti, Gavin R.; Piggott, Andrew M.; Chooi, Yit-Heng","Discovery and heterologous biosynthesis of glycosylated polyketide luteodienoside A reveals unprecedented glucinol-mediated product offloading by a fungal carnitine <i>O</i>-acyltransferase domain.","Chemical science","2024","15","9","3349","3356","10.1039/d3sc05008d","","x-ray","1.54184","CuKα","","0.0562","0.0528","","","0.0992","0.1013","","","","","","1.146","","","","has coordinates","290138","2024-03-04","20:05:30",""
"1570833","27.2958","0.0011","10.3051","0.0004","25.7535","0.001","90","","109.129","0.0017","90","","6844.1","0.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H34 N O6 P Pd S -","- C34 H34 N O6 P Pd S -","- C272 H272 N8 O48 P8 Pd8 S8 -","8","1","","Mirabal, Rafael A.; Buratynski, Javan A.; Scott, Ryan J.; Schipper, Derek J.","A palladium precatalyst for direct arylation polymerization","Polymer Chemistry","2024","15","9","847","852","10.1039/D3PY00878A","","","0.71073","MoKα","","0.0715","0.0424","","","0.0802","0.0847","","","","","","1.326","","","","has coordinates","290286","2024-03-04","20:46:53",""
"1570834","7.6542","0.0002","8.5911","0.0003","16.6247","0.0005","90","","94.622","0.003","90","","1089.65","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C6 H12 Cd Cl3 N3 -","- C6 H12 Cd Cl3 N3 -","- C24 H48 Cd4 Cl12 N12 -","4","1","","Xiao, Guowei; Ma, Yu-Juan; Qi, Zhenhong; Fang, Xiaoyu; Chen, Tianhong; Yan, Dongpeng","A flexible ligand and halogen engineering enable one phosphor-based full-color persistent luminescence in hybrid perovskitoids.","Chemical science","2024","15","10","3625","3632","10.1039/d3sc06845e","","","1.54178","CuKα","","0.0497","0.0494","","","0.1297","0.1299","","","","","","1.024","","","","has coordinates","290841","2024-04-04","22:46:36",""
"1570835","7.9948","0.0001","8.6736","0.0001","16.9504","0.0003","90","","95.696","0.002","90","","1169.6","0.03","100","0.1","100","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C6 H12 Br3 Cd N3 O0 -","- C6 H12 Br3 Cd N3 -","- C24 H48 Br12 Cd4 N12 -","4","1","","Xiao, Guowei; Ma, Yu-Juan; Qi, Zhenhong; Fang, Xiaoyu; Chen, Tianhong; Yan, Dongpeng","A flexible ligand and halogen engineering enable one phosphor-based full-color persistent luminescence in hybrid perovskitoids.","Chemical science","2024","15","10","3625","3632","10.1039/d3sc06845e","","","1.54178","CuKα","","0.055","0.054","","","0.1596","0.161","","","","","","1.041","","","","has coordinates","290841","2024-04-04","22:46:36",""
"1570836","7.1135","0.0003","7.7569","0.0003","8.8801","0.0004","90","","91.575","0.003","90","","489.81","0.04","282.01","0.1","282.01","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H11 Cd Cl2 N3 -","- C6 H11 Cd Cl2 N3 -","- C12 H22 Cd2 Cl4 N6 -","2","0.5","","Xiao, Guowei; Ma, Yu-Juan; Qi, Zhenhong; Fang, Xiaoyu; Chen, Tianhong; Yan, Dongpeng","A flexible ligand and halogen engineering enable one phosphor-based full-color persistent luminescence in hybrid perovskitoids.","Chemical science","2024","15","10","3625","3632","10.1039/d3sc06845e","","","1.54178","CuKα","","0.0664","0.0641","","","0.1819","0.1906","","","","","","1.042","","","","has coordinates","290841","2024-04-04","22:46:36",""
"1570837","9.0513","0.0002","8.0055","0.0002","14.166","0.0003","90","","90.092","0.002","90","","1026.47","0.04","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 Br2 Cd N3 O0 -","- C6 H11 Br2 Cd N3 -","- C24 H44 Br8 Cd4 N12 -","4","1","","Xiao, Guowei; Ma, Yu-Juan; Qi, Zhenhong; Fang, Xiaoyu; Chen, Tianhong; Yan, Dongpeng","A flexible ligand and halogen engineering enable one phosphor-based full-color persistent luminescence in hybrid perovskitoids.","Chemical science","2024","15","10","3625","3632","10.1039/d3sc06845e","","","1.54178","CuKα","","0.0532","0.0524","","","0.1492","0.1496","","","","","","1.088","","","","has coordinates","290841","2024-04-04","22:46:36",""
"1570838","7.2184","0.0002","8.1651","0.0002","8.9205","0.0002","90","","90.782","0.002","90","","525.72","0.02","282","2","282","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C6 H11 Br2 Cd N3 O0 -","- C6 H11 Br2 Cd N3 -","- C12 H22 Br4 Cd2 N6 -","2","0.5","","Xiao, Guowei; Ma, Yu-Juan; Qi, Zhenhong; Fang, Xiaoyu; Chen, Tianhong; Yan, Dongpeng","A flexible ligand and halogen engineering enable one phosphor-based full-color persistent luminescence in hybrid perovskitoids.","Chemical science","2024","15","10","3625","3632","10.1039/d3sc06845e","","","1.54178","CuKα","","0.0498","0.0491","","","0.1376","0.1383","","","","","","1.09","","","","has coordinates","290841","2024-04-04","22:46:36",""
"1570839","8.9307","0.0003","7.6716","0.0002","14.0159","0.0004","90","","92.145","0.003","90","","959.6","0.05","99.97","0.15","99.97","0.15","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 Cd Cl2 N3 O0 -","- C6 H11 Cd Cl2 N3 -","- C24 H44 Cd4 Cl8 N12 -","4","1","","Xiao, Guowei; Ma, Yu-Juan; Qi, Zhenhong; Fang, Xiaoyu; Chen, Tianhong; Yan, Dongpeng","A flexible ligand and halogen engineering enable one phosphor-based full-color persistent luminescence in hybrid perovskitoids.","Chemical science","2024","15","10","3625","3632","10.1039/d3sc06845e","","","1.54178","CuKα","","0.0615","0.06","","","0.1878","0.1886","","","","","","1.085","","","","has coordinates","290841","2024-04-04","22:46:36",""
"1570840","12.558","0.003","16.386","0.003","18.212","0.004","90","","103.9","0.03","90","","3637.8","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1D-DGIST-18","","- C30 H39 N O11 S5 Zn -","- C30 H39 N O11 S5 Zn -","- C120 H156 N4 O44 S20 Zn4 -","4","1","","Jin, Kangwoo; Park, Nohyoon; Ahn, Yongdeok; Seo, Daeha; Moon, Dohyun; Sung, Jooyoung; Park, Jinhee","Solvent-induced structural transformation in a one-dimensional coordination polymer.","Nanoscale","2024","16","9","4571","4577","10.1039/d4nr00265b","","","0.7","synchrotron","","0.0624","0.0574","","","0.1624","0.1668","","","","","","1.072","","","","has coordinates,has disorder","291006","2024-04-04","23:56:37",""
"1570841","8.563","0.0017","16.995","0.003","17.633","0.004","90","","101.24","0.03","90","","2516.9","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1D-DGIST-18'","","- C22 H17 N O8 S Zn -","- C22 H17 N O8 S Zn -","- C88 H68 N4 O32 S4 Zn4 -","4","1","","Jin, Kangwoo; Park, Nohyoon; Ahn, Yongdeok; Seo, Daeha; Moon, Dohyun; Sung, Jooyoung; Park, Jinhee","Solvent-induced structural transformation in a one-dimensional coordination polymer.","Nanoscale","2024","16","9","4571","4577","10.1039/d4nr00265b","","","0.7","synchrotron","","0.1845","0.1148","","","0.3481","0.3789","","","","","","1.185","","","","has coordinates,has disorder","291006","2024-04-04","23:56:37",""
"1570842","18.659","0.004","19.486","0.004","17.039","0.003","90","","122.41","0.03","90","","5230","3","253","2","253","2","","","","","","","","5","C 1 c 1","C -2yc","9","","3D-DGIST-18","","- C49 H39 N5 O15 Zn2 -","- C49 H39 N5 O15 Zn2 -","- C196 H156 N20 O60 Zn8 -","4","1","","Jin, Kangwoo; Park, Nohyoon; Ahn, Yongdeok; Seo, Daeha; Moon, Dohyun; Sung, Jooyoung; Park, Jinhee","Solvent-induced structural transformation in a one-dimensional coordination polymer.","Nanoscale","2024","16","9","4571","4577","10.1039/d4nr00265b","","","0.7","synchrotron","","0.0394","0.0387","","","0.1059","0.1066","","","","","","1.044","","","","has coordinates,has disorder","291006","2024-04-04","23:56:37",""
"1570843","6.774","0.002","13.257","0.004","20.637","0.006","90","","97.183","0.008","90","","1838.7","0.9","300","2","300","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C24 H15 N3 O3 -","- C24 H15 N3 O3 -","- C96 H60 N12 O12 -","4","1","","Pandit, Sulekha Kumari KUMARI; Das, Sanjana; Das, Gopal","Self-assembled Emissive Probe for Efficient Sensing of Fe(III) and Cysteine in the Physiological Medium: Application in Real Water and Food Sample","Sensors & Diagnostics","2024","","","","","10.1039/D3SD00306J","","","0.71073","MoKα","","0.2365","0.1464","","","0.4017","0.4682","","","","","","1.51","","","","has coordinates","289228","2024-01-31","02:47:59",""
"1570844","9.3426","0.0007","13.6019","0.0009","19.5752","0.0013","75.524","0.002","76.84","0.002","89.604","0.002","2342","0.3","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H41 N2 O -","- C25 H41 N2 O -","- C100 H164 N8 O4 -","4","2","","Vermersch, François; Wang, Victor T.; Abdellaoui, Mehdi; Jazzar, Rodolphe; Bertrand, Guy","Ambiphilicity of ring-expanded N-heterocyclic carbenes.","Chemical science","2024","15","10","3707","3710","10.1039/d3sc04543a","","x-ray","0.71073","MoKα","","0.1265","0.0626","","","0.1315","0.1566","","","","","","0.979","","","","has coordinates","290837","2024-04-04","22:44:26",""
"1570845","9.9626","0.0002","12.7843","0.0002","13.6552","0.0002","69.243","0.001","75.674","0.001","87.52","0.001","1573.84","0.05","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C38 H50 N2 -","- C38 H50 N2 -","- C76 H100 N4 -","2","1","","Vermersch, François; Wang, Victor T.; Abdellaoui, Mehdi; Jazzar, Rodolphe; Bertrand, Guy","Ambiphilicity of ring-expanded N-heterocyclic carbenes.","Chemical science","2024","15","10","3707","3710","10.1039/d3sc04543a","","x-ray","1.54178","CuKα","K-L~3~","0.0486","0.0397","","","0.0965","0.1023","","","","","","1.036","","","","has coordinates","290837","2024-04-04","22:44:26",""
"1570846","10.4427","0.0009","24.913","0.002","11.5295","0.0009","90","","116.382","0.004","90","","2687.1","0.4","100.15","","100.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H45 N3 -","- C29 H45 N3 -","- C116 H180 N12 -","4","1","","Vermersch, François; Wang, Victor T.; Abdellaoui, Mehdi; Jazzar, Rodolphe; Bertrand, Guy","Ambiphilicity of ring-expanded N-heterocyclic carbenes.","Chemical science","2024","15","10","3707","3710","10.1039/d3sc04543a","","x-ray","1.54178","CuKα","K-L~3~","0.0645","0.0479","","","0.1204","0.1317","","","","","","1.032","","","","has coordinates","290837","2024-04-04","22:44:26",""
"1570847","10.1396","0.0004","20.3171","0.0008","19.4251","0.0007","90","","100.025","0.001","90","","3940.6","0.3","273.15","","273.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C47 H65 N3 -","- C47 H65 N3 -","- C188 H260 N12 -","4","1","","Vermersch, François; Wang, Victor T.; Abdellaoui, Mehdi; Jazzar, Rodolphe; Bertrand, Guy","Ambiphilicity of ring-expanded N-heterocyclic carbenes.","Chemical science","2024","15","10","3707","3710","10.1039/d3sc04543a","","x-ray","0.71073","MoKα","K-L~3~","0.0665","0.0441","","","0.0961","0.1063","","","","","","1.026","","","","has coordinates,has disorder","290837","2024-04-04","22:44:26",""
"1570848","20.277","0.003","10.5458","0.0012","18.401","0.002","90","","92.839","0.006","90","","3930","0.8","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C46 H63 N3 -","- C46 H63 N3 -","- C184 H252 N12 -","4","1","","Vermersch, François; Wang, Victor T.; Abdellaoui, Mehdi; Jazzar, Rodolphe; Bertrand, Guy","Ambiphilicity of ring-expanded N-heterocyclic carbenes.","Chemical science","2024","15","10","3707","3710","10.1039/d3sc04543a","","x-ray","1.54178","CuKα","K-L~3~","0.0986","0.0714","","","0.1465","0.1601","","","","","","1.089","","","","has coordinates","290837","2024-04-04","22:44:26",""
"1570849","15.926","0.0009","15.8347","0.0008","14.355","0.0008","90","","116.049","0.002","90","","3252.4","0.3","273.15","","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H50 N2 Se -","- C36 H50 N2 Se -","- C144 H200 N8 Se4 -","4","1","","Vermersch, François; Wang, Victor T.; Abdellaoui, Mehdi; Jazzar, Rodolphe; Bertrand, Guy","Ambiphilicity of ring-expanded N-heterocyclic carbenes.","Chemical science","2024","15","10","3707","3710","10.1039/d3sc04543a","","x-ray","0.71073","MoKα","K-L~3~","0.0425","0.032","","","0.0768","0.0824","","","","","","1.023","","","","has coordinates","290837","2024-04-04","22:44:26",""
"1570850","19.8071","0.0009","13.3759","0.0007","17.5615","0.0008","90","","110.97","0.002","90","","4344.5","0.4","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 N2 Se -","- C24 H32 N2 Se -","- C192 H256 N16 Se8 -","8","1","","Vermersch, François; Wang, Victor T.; Abdellaoui, Mehdi; Jazzar, Rodolphe; Bertrand, Guy","Ambiphilicity of ring-expanded N-heterocyclic carbenes.","Chemical science","2024","15","10","3707","3710","10.1039/d3sc04543a","","","0.71073","MoKα","","0.0254","0.0218","","","0.0539","0.0555","","","","","","1.0371","","","","has coordinates","290837","2024-04-04","22:44:26",""
"1570851","10.8568","0.0004","19.2449","0.0008","21.6617","0.0007","87.096","0.001","78.386","0.001","85.535","0.002","4417","0.3","173","2","173","","","","","","","","","4","P -1","-P 1","2","","","","- C93 H124 Lu2 N6 -","- C93 H124 Lu2 N6 -","- C186 H248 Lu4 N12 -","2","1","","Jiang, Wen; Rajeshkumar, Thayalan; Guo, Mengyue; Lin, Yuejian; Maron, Laurent; Zhang, Lixin","Rare-earth metal ethylene and ethyne complexes.","Chemical science","2024","15","10","3495","3501","10.1039/d3sc06599e","","","0.71073","MoKα","","0.047","0.0311","","","0.067","0.0726","","","","","","1.022","","","","has coordinates","290839","2024-04-04","22:46:10",""
"1570852","21.3577","0.0008","11.1948","0.0004","21.482","0.0009","90","","90.068","0.002","90","","5136.2","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C102 H153 Al4 N10 Y2 -","- C102 H163 Al4 N10 Y2 -","- C204 H326 Al8 N20 Y4 -","2","1","","Jiang, Wen; Rajeshkumar, Thayalan; Guo, Mengyue; Lin, Yuejian; Maron, Laurent; Zhang, Lixin","Rare-earth metal ethylene and ethyne complexes.","Chemical science","2024","15","10","3495","3501","10.1039/d3sc06599e","","","1.34138","GaKα","","0.0832","0.0687","","","0.1773","0.191","","","","","","1.009","","","","has coordinates","290839","2024-04-04","22:46:11",""
"1570853","13.5651","0.0005","18.5143","0.0007","19.5102","0.0007","63.387","0.002","78.245","0.002","77.166","0.002","4240.7","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H128 Al2 N6 Y2 -","- C92 H128 Al2 N6 Y2 -","- C184 H256 Al4 N12 Y4 -","2","1","","Jiang, Wen; Rajeshkumar, Thayalan; Guo, Mengyue; Lin, Yuejian; Maron, Laurent; Zhang, Lixin","Rare-earth metal ethylene and ethyne complexes.","Chemical science","2024","15","10","3495","3501","10.1039/d3sc06599e","","","1.34138","GaKα","","0.0698","0.0557","","","0.1494","0.161","","","","","","1.038","","","","has coordinates,has disorder","290839","2024-04-04","22:46:11",""
"1570854","11.4571","0.0012","19.681","0.003","21.041","0.003","90","","99.503","0.003","90","","4679.4","1.1","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H66 Al N3 Y -","- C49 H73 Al N3 Y -","- C196 H292 Al4 N12 Y4 -","4","1","","Jiang, Wen; Rajeshkumar, Thayalan; Guo, Mengyue; Lin, Yuejian; Maron, Laurent; Zhang, Lixin","Rare-earth metal ethylene and ethyne complexes.","Chemical science","2024","15","10","3495","3501","10.1039/d3sc06599e","","","0.71073","MoKα","","0.0748","0.0412","","","0.0974","0.1101","","","","","","1.028","","","","has coordinates,has disorder","290839","2024-04-04","22:46:11",""
"1570855","11.4749","0.0004","19.6122","0.0007","20.979","0.0009","90","","99.088","0.001","90","","4662","0.3","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H73 Al Lu N3 -","- C49 H71 Al Lu N3 -","- C196 H284 Al4 Lu4 N12 -","4","1","","Jiang, Wen; Rajeshkumar, Thayalan; Guo, Mengyue; Lin, Yuejian; Maron, Laurent; Zhang, Lixin","Rare-earth metal ethylene and ethyne complexes.","Chemical science","2024","15","10","3495","3501","10.1039/d3sc06599e","","","0.71073","MoKα","","0.0441","0.0277","","","0.0602","0.0661","","","","","","1.01","","","","has coordinates,has disorder","290839","2024-04-04","22:46:11",""
"1570856","21.5841","0.0006","30.8815","0.0009","16.132","0.0005","90","","94.119","0.001","90","","10725","0.5","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C110 H176 Al4 N6 Y2 -","- C110 H176 Al4 N6 Y2 -","- C440 H704 Al16 N24 Y8 -","4","1","","Jiang, Wen; Rajeshkumar, Thayalan; Guo, Mengyue; Lin, Yuejian; Maron, Laurent; Zhang, Lixin","Rare-earth metal ethylene and ethyne complexes.","Chemical science","2024","15","10","3495","3501","10.1039/d3sc06599e","","","1.34139","GaKα","","0.0553","0.0478","","","0.122","0.129","","","","","","1.021","","","","has coordinates,has disorder","290839","2024-04-04","22:46:11",""
"1570857","5.3341","0.0011","7.7048","0.0016","20.413","0.004","90","","90","","90","","838.9","0.3","150","2","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 O3 -","- C9 H14 O3 -","- C36 H56 O12 -","4","1","","Shan, Si-Yi; Zhang, Wei; Cao, Qing; Ye, Yun-Cong; Cai, Zhongzheng; Zhu, Jian-Bo","cis-Fused cyclohexane promoted the chemical recycling of polycarbonate to monomer","Polymer Chemistry","2024","15","11","1070","1076","10.1039/D4PY00005F","","","1.54178","CuKα","","0.0312","0.031","","","0.0774","0.0775","","","","","","1.096","","","","has coordinates","291071","2024-04-05","00:18:33",""
"1570858","12.1089","0.0003","13.3568","0.0003","14.0513","0.0004","90","","98.955","0.003","90","","2244.9","0.1","100","0.13","100","0.13","","","","","","","","7","P 1 21 1","P 2yb","4","","Bis[2,6-bis(benzimidazol-2-yl)pyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']nickel(II) bis(trifluoromethanesulfonate) diethyl ether monosolvate","","- C44 H36 F6 N10 Ni O7 S2 -","- C44 H36 F6 N10 Ni O7 S2 -","- C88 H72 F12 N20 Ni2 O14 S4 -","2","1","VM4063","Ruiz, Sarah E.; Arman, Hadi D.; Adrian, Rafael A.","Bis[2,6-bis(benzimidazol-2-yl)pyridine-κ3 N,N′,N′′]nickel(II) bis(trifluoromethanesulfonate) diethyl ether monosolvate","IUCrData","2024","9","1","","","10.1107/S2414314624000889","","x-ray","1.54184","CuKα","","0.0597","0.0575","","","0.1351","0.1364","","","","","","1.07","","","","has coordinates","289259","2024-02-01","03:25:22",""
"1570859","20.0056","0.0004","29.2892","0.0006","8.03827","0.00016","90","","95.696","0.002","90","","4686.75","0.16","140","0.1","140","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H57 Au3 N6 O3 -","- C48 H57 Au3 N6 O3 -","- C192 H228 Au12 N24 O12 -","4","1","","Eren, Noga; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Molecular imine cages with π-basic Au<sub>3</sub>(pyrazolate) faces.","Chemical science","2024","15","10","3539","3544","10.1039/d3sc06280e","","x-ray","0.71073","MoKα","","0.0558","0.0295","","","0.0519","0.0575","","","","","","0.998","","","","has coordinates,has disorder","290842","2024-04-04","22:47:13",""
"1570860","8.3005","0.0006","17.0876","0.001","19.6636","0.0009","68.3","0.005","87.8","0.005","82.613","0.005","2569.7","0.3","229.99","0.1","229.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C49.25 H59.5 Au3 Cl2.5 N6 O3 -","- C48 H57 Au3 N6 O3 -","- C96 H114 Au6 N12 O6 -","2","1","","Eren, Noga; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Molecular imine cages with π-basic Au<sub>3</sub>(pyrazolate) faces.","Chemical science","2024","15","10","3539","3544","10.1039/d3sc06280e","","x-ray","1.54184","CuKα","","0.1083","0.0609","","","0.1546","0.1994","","","","","","1.011","","","","has coordinates,has disorder","290842","2024-04-04","22:47:14",""
"1570861","15.634","0.0003","17.1978","0.0002","25.4548","0.0004","94.8137","0.0012","107.046","0.0015","107.447","0.0015","6130.61","0.19","140","0.1","140","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C109 H140 Au6 Cl8 N18 -","- C105 H132 Au6 N18 -","- C210 H264 Au12 N36 -","2","1","","Eren, Noga; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Molecular imine cages with π-basic Au<sub>3</sub>(pyrazolate) faces.","Chemical science","2024","15","10","3539","3544","10.1039/d3sc06280e","","x-ray","1.54184","CuKα","","0.062","0.0446","","","0.1119","0.1184","","","","","","1.047","","","","has coordinates,has disorder","290842","2024-04-04","22:47:14",""
"1570862","20.8869","0.0006","21.3091","0.0007","21.4286","0.0004","96.246","0.002","97.033","0.002","105.196","0.003","9035.4","0.5","140","","140","","","","","","","","","5","P -1","-P 1","2","","","","- C132.75 H163.5 Au6 Cl25.5 N18 -","- C120 H138 Au6 N18 -","- C240 H276 Au12 N36 -","2","1","","Eren, Noga; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Molecular imine cages with π-basic Au<sub>3</sub>(pyrazolate) faces.","Chemical science","2024","15","10","3539","3544","10.1039/d3sc06280e","","x-ray","1.54184","CuKα","","0.078","0.0536","","","0.1577","0.1671","","","","","","1.053","","","","has coordinates","290842","2024-04-04","22:47:14",""
"1570863","27.6564","0.0002","27.7466","0.0003","28.2657","0.0003","112.451","0.001","94.9615","0.0008","119.208","0.001","16466.2","0.4","229.99","0.1","229.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C241.5 H301.5 Au12 Cl51 N40 -","- C216 H276 Au12 N40 -","- C432 H552 Au24 N80 -","2","1","","Eren, Noga; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Molecular imine cages with π-basic Au<sub>3</sub>(pyrazolate) faces.","Chemical science","2024","15","10","3539","3544","10.1039/d3sc06280e","","x-ray","1.54184","CuKα","","0.0863","0.0684","","","0.1956","0.205","","","","","","1.054","","","","has coordinates","290842","2024-04-04","22:47:14",""
"1570864","22.1659","0.00019","24.2178","0.0002","26.9851","0.0002","91.9058","0.0007","104.092","0.0008","94.9457","0.0007","13975.5","0.2","140.15","","140.15","","","","","","","","","6","P -1","-P 1","2","","","","- C280 H276 Au12 Cl12 D4 N40 -","- C278 H276 Au12 Cl6 D2 N40 -","- C556 H552 Au24 Cl12 D4 N80 -","2","1","","Eren, Noga; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Molecular imine cages with π-basic Au<sub>3</sub>(pyrazolate) faces.","Chemical science","2024","15","10","3539","3544","10.1039/d3sc06280e","","x-ray","1.54184","CuKα","","0.0669","0.0598","","","0.1644","0.1693","","","","","","1.045","","","","has coordinates,has disorder","290842","2024-04-04","22:47:14",""
"1570865","27.2311","0.0003","27.3567","0.0003","27.4198","0.0004","62.4166","0.0013","79.9283","0.0011","72.2345","0.0009","17227.7","0.4","229.99","0.1","229.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C312 H298 Au12 Cl52 N40 -","- C286 H272 Au12 N40 -","- C572 H544 Au24 N80 -","2","1","","Eren, Noga; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Molecular imine cages with π-basic Au<sub>3</sub>(pyrazolate) faces.","Chemical science","2024","15","10","3539","3544","10.1039/d3sc06280e","","x-ray","1.54184","CuKα","","0.0751","0.057","","","0.1642","0.1738","","","","","","1.06","","","","has coordinates","290842","2024-04-04","22:47:14",""
"1570866","10.1199","0.0001","10.1199","0.0001","38.9943","0.0004","90","","90","","90","","3993.5","0.07","100","0.1","100","0.1","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","R-Sb","","- C27 H60 Cl6 N2 O12 Sb -","- C27 H60 Cl6 N2 O12 Sb -","- C108 H240 Cl24 N8 O48 Sb4 -","4","0.5","","Han, Xiao; Cheng, Puxin; Han, Shanshan; Wang, Zhihua; Guan, Junjie; Han, Wenqing; Shi, Rongchao; Chen, Songhua; Zheng, Yongshen; Xu, Jialiang; Bu, Xian-He","Multi-stimuli-responsive luminescence enabled by crown ether anchored chiral antimony halide phosphors.","Chemical science","2024","15","10","3530","3538","10.1039/d3sc06362c","","","1.54178","CuKα","","0.0652","0.0639","","","0.1861","0.1875","","","","","","1.075","","","","has coordinates","290840","2024-04-04","22:46:23",""
"1570867","10.3335","0.0002","14.7221","0.0004","13.4584","0.0004","90","","97.826","0.002","90","","2028.37","0.09","100","0.1","100","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","rac-Sb","","- C27 H60 Cl6 N2 O12 Sb -","- C27 H60 Cl6 N2 O12 Sb -","- C54 H120 Cl12 N4 O24 Sb2 -","2","0.5","","Han, Xiao; Cheng, Puxin; Han, Shanshan; Wang, Zhihua; Guan, Junjie; Han, Wenqing; Shi, Rongchao; Chen, Songhua; Zheng, Yongshen; Xu, Jialiang; Bu, Xian-He","Multi-stimuli-responsive luminescence enabled by crown ether anchored chiral antimony halide phosphors.","Chemical science","2024","15","10","3530","3538","10.1039/d3sc06362c","","x-ray","0.71073","MoKα","","0.1118","0.1023","","","0.2833","0.2917","","","","","","1.051","","","","has coordinates,has disorder","290840","2024-04-04","22:46:24",""
"1570868","9.1622","0.0001","10.5718","0.0002","19.3536","0.0004","90","","90","","90","","1874.61","0.06","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","S-er an-SbCl","","- C6 H24 Cl7 N4 Sb -","- C6 H24 Cl7 N4 Sb -","- C24 H96 Cl28 N16 Sb4 -","4","1","","Han, Xiao; Cheng, Puxin; Han, Shanshan; Wang, Zhihua; Guan, Junjie; Han, Wenqing; Shi, Rongchao; Chen, Songhua; Zheng, Yongshen; Xu, Jialiang; Bu, Xian-He","Multi-stimuli-responsive luminescence enabled by crown ether anchored chiral antimony halide phosphors.","Chemical science","2024","15","10","3530","3538","10.1039/d3sc06362c","","x-ray","0.71073","MoKα","","0.0139","0.0135","","","0.0288","0.0289","","","","","","1.046","","","","has coordinates","290840","2024-04-04","22:46:24",""
"1570869","10.11536","0.00004","10.11536","0.00004","38.9841","0.0002","90","","90","","90","","3988.87","0.03","100","2","100","0.1","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C27 H60 Cl6 N2 O12 Sb -","- C27 H60 Cl6 N2 O12 Sb -","- C108 H240 Cl24 N8 O48 Sb4 -","4","0.5","","Han, Xiao; Cheng, Puxin; Han, Shanshan; Wang, Zhihua; Guan, Junjie; Han, Wenqing; Shi, Rongchao; Chen, Songhua; Zheng, Yongshen; Xu, Jialiang; Bu, Xian-He","Multi-stimuli-responsive luminescence enabled by crown ether anchored chiral antimony halide phosphors.","Chemical science","2024","15","10","3530","3538","10.1039/d3sc06362c","","","1.54178","CuKα","","0.066","0.0652","","","0.1762","0.177","","","","","","1.058","","","","has coordinates,has disorder","290840","2024-04-04","22:46:24",""
"1570870","9.2535","0.0018","14.9","0.003","17.885","0.004","90","","101.861","0.004","90","","2413.3","0.9","296.15","","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H34 O -","- C29 H34 O -","- C116 H136 O4 -","4","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","","0.71073","MoKα","","0.104","0.0567","","","0.1514","0.1763","","","","","","1.03","","","","has coordinates,has disorder","290864","2024-04-04","22:56:30",""
"1570871","12.8327","0.0004","13.0654","0.0003","15.244","0.0005","94.104","0.002","114.041","0.003","108.338","0.002","2156.01","0.13","283","1","283","1","","","","","","","","4","P -1","-P 1","2","","","","- C54 H53 Br O -","- C54 H53 Br O -","- C108 H106 Br2 O2 -","2","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","x-ray","1.54184","CuKα","","0.1686","0.1461","","","0.4206","0.4423","","","","","","1.831","","","","has coordinates","290864","2024-04-04","22:56:31",""
"1570872","7.2553","0.0015","20.45","0.004","18.243","0.004","90","","100.989","0.004","90","","2657.1","1","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 O -","- C33 H36 O -","- C132 H144 O4 -","4","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","","0.71073","MoKα","","0.1499","0.0723","","","0.1984","0.2446","","","","","","1.019","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570873","8.6293","0.0012","12.4614","0.0017","26.146","0.004","90","","94.519","0.002","90","","2802.8","0.7","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C35 H38 O -","- C35 H38 O -","- C140 H152 O4 -","4","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","","0.71073","MoKα","","0.0705","0.0553","","","0.1372","0.1499","","","","","","1.064","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570874","12.819","0.003","13.093","0.003","14.822","0.003","93.696","0.005","114.031","0.004","108.413","0.005","2101.6","0.8","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H48 Cl2 O -","- C52 H48 Cl2 O -","- C104 H96 Cl4 O2 -","2","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","","0.71073","MoKα","","0.1634","0.0812","","","0.205","0.2373","","","","","","1.093","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570875","12.8029","0.0002","13.1018","0.0002","15.0559","0.0003","93.947","0.002","113.886","0.002","108.27","0.002","2136.32","0.08","302.47","0.1","302.47","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C53 H51 I O -","- C53 H51 I O -","- C106 H102 I2 O2 -","2","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","x-ray","1.54184","CuKα","","0.1006","0.089","","","0.2625","0.2771","","","","","","1.12","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570876","11.3897","0.0003","18.137","0.0004","19.2706","0.0005","83.875","0.002","81.204","0.002","81.729","0.002","3878.46","0.17","292.5","0.9","292.5","0.9","","","","","","","","3","P -1","-P 1","2","","","","- C51 H46 O -","- C51 H46 O -","- C204 H184 O4 -","4","2","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","x-ray","1.54184","CuKα","","0.0776","0.0563","","","0.1552","0.167","","","","","","1.059","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570877","18.7443","0.0006","10.4995","0.0003","24.1927","0.0008","90","","110.663","0.004","90","","4455","0.3","302.33","0.1","302.33","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C53 H49 Cl3 O -","- C53 H49 Cl3 O -","- C212 H196 Cl12 O4 -","4","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","x-ray","1.54184","CuKα","","0.0952","0.0832","","","0.2708","0.284","","","","","","1.067","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570878","13.254","0.003","11.559","0.0016","38.103","0.005","90","","90","","90","","5837.5","1.7","296","2","296.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C37 H38 O -","- C37 H38 O -","- C296 H304 O8 -","8","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","","0.71073","MoKα","","0.0975","0.058","","","0.1279","0.1495","","","","","","1.0934","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570879","12.795","0.009","13.079","0.009","14.955","0.01","93.844","0.009","114.095","0.009","108.298","0.009","2113","3","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C52 H48 Br2 O -","- C52 H48 Br2 O -","- C104 H96 Br4 O2 -","2","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","","0.71073","MoKα","","0.2441","0.0907","","","0.2321","0.3248","","","","","","0.9525","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570880","11.3923","0.0002","18.1449","0.0005","19.2809","0.0005","83.916","0.002","81.263","0.002","81.85","0.002","3885.01","0.16","285.7","0.8","285.7","0.8","","","","","","","","3","P -1","-P 1","2","","","","- C51 H46 O -","- C51 H46 O -","- C204 H184 O4 -","4","2","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","x-ray","1.54184","CuKα","","0.0526","0.0457","","","0.1326","0.1383","","","","","","1.076","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570881","11.379","0.0002","18.1303","0.0003","19.2624","0.0004","83.876","0.002","81.273","0.002","81.763","0.002","3872.71","0.13","291","1","291","1","","","","","","","","3","P -1","-P 1","2","","","","- C51 H46 O -","- C51 H46 O -","- C204 H184 O4 -","4","2","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","x-ray","1.54184","CuKα","","0.0767","0.0573","","","0.1555","0.1682","","","","","","1.072","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570882","13.074","0.004","13.147","0.004","14.493","0.005","69.147","0.007","66.505","0.007","89.161","0.008","2111.3","1.2","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C52 H51 I O2 -","- C51.944 H50.832 I0.944 O2 -","- C103.888 H101.664 I1.888 O4 -","2","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","","0.71073","MoKα","","0.1159","0.0845","","","0.2268","0.2664","","","","","","1.078","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570883","9.3608","0.0017","14.084","0.003","14.199","0.003","66.933","0.003","81.559","0.003","75.738","0.003","1666.6","0.6","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","","","- C43 H42 O -","- C43 H42 O -","- C86 H84 O2 -","2","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","","0.71073","MoKα","","0.0964","0.0651","","","0.189","0.2188","","","","","","1.072","","","","has coordinates","290864","2024-04-04","22:56:31",""
"1570884","12.8128","0.0004","12.9995","0.0004","15.1372","0.0004","93.822","0.001","114.442","0.001","108.377","0.001","2120.8","0.11","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C53 H50 Cl2 O -","- C53 H50 Cl2 O -","- C106 H100 Cl4 O2 -","2","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","","1.34138","GaKα","","0.0641","0.0519","","","0.1551","0.1653","","","","","","1.1","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570885","12.8123","0.0005","13.0931","0.0005","14.9329","0.0005","93.704","0.003","113.887","0.004","108.24","0.004","2121.92","0.17","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H51 Br O -","- C53 H51 Br O -","- C106 H102 Br2 O2 -","2","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","x-ray","1.54184","CuKα","","0.132","0.0998","","","0.273","0.2954","","","","","","1.055","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570886","12.8331","0.0003","13.021","0.0003","15.1558","0.0003","93.893","0.002","114.337","0.002","108.437","0.002","2130.7","0.1","303","0.1","303","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C53 H50 Cl2 O -","- C53 H50 Cl2 O -","- C106 H100 Cl4 O2 -","2","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","x-ray","1.54184","CuKα","","0.0655","0.0587","","","0.1835","0.1943","","","","","","1.119","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570887","12.8218","0.0002","13.0029","0.0002","15.1355","0.0002","93.833","0.001","114.434","0.001","108.369","0.001","2122.79","0.06","288","0.1","288","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C53 H50 Cl2 O -","- C53 H50 Cl2 O -","- C106 H100 Cl4 O2 -","2","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","x-ray","1.54184","CuKα","","0.0692","0.0653","","","0.1942","0.1982","","","","","","1.095","","","","has coordinates","290864","2024-04-04","22:56:31",""
"1570888","12.84138","0.00018","13.04491","0.00019","15.1875","0.0002","94.0644","0.0012","114.237","0.0015","108.442","0.0013","2140.66","0.07","318","0.1","318","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C53 H50 Cl2 O -","- C53 H50 Cl2 O -","- C106 H100 Cl4 O2 -","2","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","x-ray","1.54184","CuKα","","0.0631","0.0578","","","0.1712","0.1764","","","","","","1.076","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570889","12.86643","0.00019","13.09253","0.00019","15.2541","0.0002","94.3619","0.0012","114.007","0.0015","108.555","0.0013","2161.74","0.07","348","0.1","348","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C53 H50 Cl2 O -","- C53 H50 Cl2 O -","- C106 H100 Cl4 O2 -","2","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","x-ray","1.54184","CuKα","","0.0736","0.0664","","","0.2045","0.2123","","","","","","1.1","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570890","12.85566","0.00017","13.0694","0.00017","15.2213","0.0002","94.2229","0.0011","114.117","0.0014","108.484","0.0012","2151.92","0.06","333","0.1","333","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C53 H50 Cl2 O -","- C53 H50 Cl2 O -","- C106 H100 Cl4 O2 -","2","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","x-ray","1.54184","CuKα","","0.0699","0.0632","","","0.1961","0.2037","","","","","","1.08","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570891","11.3817","0.0017","18.157","0.003","19.306","0.003","83.855","0.002","81.23","0.002","81.719","0.002","3887.2","1.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C51 H46 O -","- C51 H46 O -","- C204 H184 O4 -","4","2","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","","0.71073","MoKα","","0.1008","0.0731","","","0.196","0.2234","","","","","","1.0625","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570892","23.4881","0.0012","30.1131","0.0018","48.101","0.003","90","","90","","90","","34022","3","296","2","296","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","Ni10(pMPT)20","","- C140 H140 Ni10 S20 -","- C140 H140 Ni10 S20 -","- C1120 H1120 Ni80 S160 -","8","0.25","","Xiang, Huixin; Cheng, Ranran; Ruan, Chenhao; Meng, Changqing; Gan, Yuzheng; Cheng, Wanyu; Zhao, Yue; Xu, Cong-Qiao; Li, Jun; Yao, Chuanhao","A homologous series of macrocyclic Ni clusters: synthesis, structures, and catalytic properties.","Nanoscale","2024","16","9","4563","4570","10.1039/d3nr06015b","","","0.71073","MoKα","","0.0845","0.0413","","","0.1216","0.1648","","","","","","0.959","","","","has coordinates","291008","2024-04-04","23:57:38",""
"1570893","28.916","0.007","28.916","0.007","69.42","0.03","90","","90","","120","","50268","3","173","","173","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Ni9(pMPT)18","","- C126 H126 Ni9 S18 -","- C126 H126 Ni9 S18 -","- C1512 H1512 Ni108 S216 -","12","0.333333","","Xiang, Huixin; Cheng, Ranran; Ruan, Chenhao; Meng, Changqing; Gan, Yuzheng; Cheng, Wanyu; Zhao, Yue; Xu, Cong-Qiao; Li, Jun; Yao, Chuanhao","A homologous series of macrocyclic Ni clusters: synthesis, structures, and catalytic properties.","Nanoscale","2024","16","9","4563","4570","10.1039/d3nr06015b","","x-ray","1.34139","GaKα","","0.0961","0.0666","","","0.1969","0.2151","","","","","","1.073","","","","has coordinates","291008","2024-04-04","23:57:38",""
"1570894","15.8579","0.0017","19.165","0.002","19.177","0.002","87.841","0.004","81.039","0.004","82.464","0.004","5706.5","1","193","","193","","","","","","","","","4","P 1","P 1","1","","Ni12(pMPT)24","","- C168 H168 Ni12 S24 -","- C168 H168 Ni12 S24 -","- C168 H168 Ni12 S24 -","1","1","","Xiang, Huixin; Cheng, Ranran; Ruan, Chenhao; Meng, Changqing; Gan, Yuzheng; Cheng, Wanyu; Zhao, Yue; Xu, Cong-Qiao; Li, Jun; Yao, Chuanhao","A homologous series of macrocyclic Ni clusters: synthesis, structures, and catalytic properties.","Nanoscale","2024","16","9","4563","4570","10.1039/d3nr06015b","","x-ray","0.71073","MoKα","","0.1108","0.0892","","","0.2578","0.2765","","","","","","1.022","","","","has coordinates","291008","2024-04-04","23:57:38",""
"1570895","23.683","0.003","27.568","0.004","29.823","0.004","90.121","0.007","90.422","0.007","98.048","0.007","19279","5","193","2","193","","","","","","","","","5","P -1","-P 1","2","","Ni11(pMPT)22","","- C308 H308 Ag0 Ni22 S44 -","- C308 H308 Ni22 S44 -","- C616 H616 Ni44 S88 -","2","1","","Xiang, Huixin; Cheng, Ranran; Ruan, Chenhao; Meng, Changqing; Gan, Yuzheng; Cheng, Wanyu; Zhao, Yue; Xu, Cong-Qiao; Li, Jun; Yao, Chuanhao","A homologous series of macrocyclic Ni clusters: synthesis, structures, and catalytic properties.","Nanoscale","2024","16","9","4563","4570","10.1039/d3nr06015b","","x-ray","1.34139","GaKα","","0.3337","0.148","","","0.3939","0.4836","","","","","","1.127","","","","has coordinates","291008","2024-04-04","23:57:38",""
"1570896","8.566","0.003","9.831","0.004","11.508","0.004","75.764","0.004","79.755","0.004","88.092","0.004","924.3","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H43 Br2 Co N8 O8 -","- C30 H43 Br2 Co N8 O8 -","- C30 H43 Br2 Co N8 O8 -","1","0.5","","Hu, Hong-Zhi; Yan, Yi-Bo; Wang, Na; Adila, Abuduheni; Liu, Yang; Liu, Zun-Qi","Phase Transition and Switchable Dielectric Properties of a Three-Dimensional Hydrogen-Bonding Framework Based on Cobalt (Ⅲ), o-Bromoaniline, and 18-Crown-6","Crystals","2024","14","1","87","","10.3390/cryst14010087","","","0.71073","MoKα","","0.0579","0.0489","","","0.1277","0.1343","","","","","","1.088","","","","has coordinates","289653","2024-02-04","18:12:23",""
"1570897","8.724","0.003","9.687","0.003","11.556","0.004","77.799","0.004","78.954","0.004","88.451","0.004","936.8","0.5","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H43 Br2 Co N8 O8 -","- C30 H43 Br2 Co N8 O8 -","- C30 H43 Br2 Co N8 O8 -","1","0.5","","Hu, Hong-Zhi; Yan, Yi-Bo; Wang, Na; Adila, Abuduheni; Liu, Yang; Liu, Zun-Qi","Phase Transition and Switchable Dielectric Properties of a Three-Dimensional Hydrogen-Bonding Framework Based on Cobalt (Ⅲ), o-Bromoaniline, and 18-Crown-6","Crystals","2024","14","1","87","","10.3390/cryst14010087","","","0.71073","MoKα","","0.0947","0.07","","","0.1738","0.1918","","","","","","1.054","","","","has coordinates","289654","2024-02-04","18:12:34",""
"1570898","9.834","0.009","12.609","0.01","16.946","0.016","90","","90.94","0.03","90","","2101","3","100","","100","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C19 H30 N3 O6.5 S -","- C19 H30 N3 O6.5 S -","- C76 H120 N12 O26 S4 -","4","2","","Buikin, Petr A.; Vologzhanina, Anna V.; Korlyukov, Alexander A.","Sumatriptan Succinate Hemi(Ethanol Solvate)","Molbank","2024","2024","1","M1766","","10.3390/M1766","","","0.71073","MoKα","","0.0561","0.0467","","","0.1134","0.1188","","","","","","1.025","","","","has coordinates","289656","2024-02-05","03:59:15",""
"1570899","10.1725","0.0003","10.5825","0.0003","18.4246","0.0005","90","","90","","90","","1983.42","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H17 O3 P -","- C26 H17 O3 P -","- C104 H68 O12 P4 -","4","1","","Ferraro, Valentina; Castro, Jesús; Bortoluzzi, Marco","Luminescent Behavior of Zn(II) and Mn(II) Halide Derivatives of 4-Phenyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-Oxide and Single-Crystal X-ray Structure Determination of the Ligand.","Molecules (Basel, Switzerland)","2024","29","1","239","","10.3390/molecules29010239","","","0.71073","MoKα","","0.0277","0.0273","","","0.0731","0.0734","","","","","","1.091","","","","has coordinates","289657","2024-02-05","05:05:52",""
"1570900","12.091","0.002","12.295","0.002","12.729","0.003","82.9","0.03","82.85","0.03","89.24","0.03","1863.2","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H43 Cl N O7 P Pd -","- C41 H43 Cl N O7 P Pd -","- C82 H86 Cl2 N2 O14 P2 Pd2 -","2","1","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.0506","0.0431","","","0.1143","0.1214","","","","","","1.085","","","","has coordinates,has disorder","289659","2024-02-05","05:06:11",""
"1570901","14.982","0.003","13.237","0.003","16.829","0.003","90","","112.78","0.03","90","","3077.1","1.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H33 Cl N O4 P Pd -","- C34 H33 Cl N O4 P Pd -","- C136 H132 Cl4 N4 O16 P4 Pd4 -","4","1","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.0823","0.0746","","","0.2366","0.2458","","","","","","1.138","","","","has coordinates,has disorder","289660","2024-02-05","05:06:26",""
"1570902","15.295","0.003","10.691","0.002","19.12","0.004","90","","99.74","0.03","90","","3081.4","1.1","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Cl F3 N O4 P Pd -","- C34 H30 Cl F3 N O4 P Pd -","- C136 H120 Cl4 F12 N4 O16 P4 Pd4 -","4","1","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.0273","0.026","","","0.0732","0.0741","","","","","","1.051","","","","has coordinates","289661","2024-02-05","05:06:41",""
"1570903","19.569","0.004","9.821","0.002","17.575","0.004","90","","90","","90","","3377.7","1.2","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C35 H37 Cl N O7 P Pd -","- C35 H37 Cl N O7 P Pd -","- C140 H148 Cl4 N4 O28 P4 Pd4 -","4","1","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.0278","0.0252","","","0.0647","0.066","","","","","","1.062","","","","has coordinates,has disorder","289662","2024-02-05","05:06:56",""
"1570904","9.905","0.002","34.151","0.007","9.978","0.002","90","","90.58","0.03","90","","3375","1.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H32 Cl4 N O4 P Pd -","- C33 H32 Cl4 N O4 P Pd -","- C132 H128 Cl16 N4 O16 P4 Pd4 -","4","2","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.0357","0.0343","","","0.0854","0.0866","","","","","","1.008","","","","has coordinates","289663","2024-02-05","05:07:12",""
"1570905","15.006","0.003","10.701","0.002","18.944","0.004","90","","95.65","0.03","90","","3027.2","1.1","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 Cl F3 N O4 P Pd -","- C32 H28 Cl F3 N O4 P Pd -","- C128 H112 Cl4 F12 N4 O16 P4 Pd4 -","4","1","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.0267","0.0262","","","0.0685","0.069","","","","","","1.076","","","","has coordinates","289664","2024-02-05","05:07:26",""
"1570906","10.17","0.002","18.904","0.004","17.274","0.003","90","","90.09","0.03","90","","3321","1.1","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Cl4 N O4 P Pd -","- C32 H28 Cl4 N O4 P Pd -","- C128 H112 Cl16 N4 O16 P4 Pd4 -","4","1","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.0901","0.0591","","","0.1746","0.2077","","","","","","1.031","","","","has coordinates,has disorder","289665","2024-02-05","05:07:42",""
"1570907","12.186","0.002","12.335","0.002","13.003","0.003","83.54","0.03","81.05","0.03","88.43","0.03","1918.4","0.7","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H43 Cl N O7 P Pd -","- C41 H43 Cl N O7 P Pd -","- C82 H86 Cl2 N2 O14 P2 Pd2 -","2","1","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.0443","0.0405","","","0.1207","0.1263","","","","","","1.042","","","","has coordinates,has disorder","289666","2024-02-05","05:07:57",""
"1570908","19.544","0.004","9.842","0.002","17.561","0.004","90","","90","","90","","3377.9","1.2","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C35 H37 Cl N O7 P Pd -","- C35 H37 Cl N O7 P Pd -","- C140 H148 Cl4 N4 O28 P4 Pd4 -","4","1","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.0422","0.0332","","","0.0822","0.0861","","","","","","1.083","","","","has coordinates,has disorder","289667","2024-02-05","05:08:14",""
"1570909","15.157","0.003","13.336","0.003","17.127","0.003","90","","112.74","0.03","90","","3192.8","1.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H33 Cl N O4 P Pd -","- C34 H33 Cl N O4 P Pd -","- C136 H132 Cl4 N4 O16 P4 Pd4 -","4","1","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.041","0.0351","","","0.1082","0.115","","","","","","1.041","","","","has coordinates","289668","2024-02-05","05:08:33",""
"1570910","10.1482","0.0009","11.1855","0.001","11.7055","0.0011","111.285","0.003","97.429","0.003","108.425","0.003","1128.98","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 Cu N4 O9 -","- C23 H20 Cu N4 O9 -","- C46 H40 Cu2 N8 O18 -","2","1","","Lin, Shu-Yu; Shen, Yi-Lin; Chen, Wei-Hao; Govindaraj, Manivannan; Chen, Jhy-Der","Cu(II) Coordination Polymers Containing Mixed Ligands with Different Flexibilities: Structural Diversity and Iodine Adsorption.","Molecules (Basel, Switzerland)","2024","29","2","311","","10.3390/molecules29020311","","","0.71073","MoKα","","0.0755","0.0555","","","0.1419","0.1668","","","","","","1.054","","","","has coordinates","289669","2024-02-05","05:09:38",""
"1570911","8.9062","0.0002","11.2565","0.0003","22.7418","0.0005","99.7718","0.0014","94.3827","0.0015","105.873","0.0014","2142.95","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H53 Cu1.5 N6 O17.5 -","- C36 H53 Cu1.5 N6 O17.5 -","- C72 H106 Cu3 N12 O35 -","2","1","","Lin, Shu-Yu; Shen, Yi-Lin; Chen, Wei-Hao; Govindaraj, Manivannan; Chen, Jhy-Der","Cu(II) Coordination Polymers Containing Mixed Ligands with Different Flexibilities: Structural Diversity and Iodine Adsorption.","Molecules (Basel, Switzerland)","2024","29","2","311","","10.3390/molecules29020311","","","0.71073","MoKα","","0.1158","0.055","","","0.1228","0.1452","","","","","","1.015","","","","has coordinates","289669","2024-02-05","05:09:39",""
"1570912","18.8531","0.0006","25.8032","0.0008","17.4503","0.0006","90","","99.4362","0.0019","90","","8374.2","0.5","191","2","191","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H27 Cu N2 O7 -","- C36 H27 Cu N2 O7 -","- C288 H216 Cu8 N16 O56 -","8","1","","Lin, Shu-Yu; Shen, Yi-Lin; Chen, Wei-Hao; Govindaraj, Manivannan; Chen, Jhy-Der","Cu(II) Coordination Polymers Containing Mixed Ligands with Different Flexibilities: Structural Diversity and Iodine Adsorption.","Molecules (Basel, Switzerland)","2024","29","2","311","","10.3390/molecules29020311","","","0.71073","MoKα","","0.1022","0.0536","","","0.1164","0.1345","","","","","","0.99","","","","has coordinates,has disorder","289669","2024-02-05","05:09:39",""
"1570913","16.5969","0.0004","13.9067","0.0004","17.611","0.0005","90","","90.2248","0.0009","90","","4064.73","0.19","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H38 Cu4 N4 O16 -","- C40 H38 Cu4 N4 O16 -","- C160 H152 Cu16 N16 O64 -","4","0.5","","Lin, Shu-Yu; Shen, Yi-Lin; Chen, Wei-Hao; Govindaraj, Manivannan; Chen, Jhy-Der","Cu(II) Coordination Polymers Containing Mixed Ligands with Different Flexibilities: Structural Diversity and Iodine Adsorption.","Molecules (Basel, Switzerland)","2024","29","2","311","","10.3390/molecules29020311","","","0.71073","MoKα","","0.0323","0.0265","","","0.069","0.0747","","","","","","1.085","","","","has coordinates,has disorder","289669","2024-02-05","05:09:39",""
"1570914","20.9682","0.001","25.3489","0.0011","18.1699","0.0008","90","","90","","90","","9657.7","0.8","165","2","165","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C100.5 H104 Cu3 N8 O20.5 -","- C100.5 H98 Cu3 N8 O20.5 -","- C402 H392 Cu12 N32 O82 -","4","1","","Lin, Shu-Yu; Shen, Yi-Lin; Chen, Wei-Hao; Govindaraj, Manivannan; Chen, Jhy-Der","Cu(II) Coordination Polymers Containing Mixed Ligands with Different Flexibilities: Structural Diversity and Iodine Adsorption.","Molecules (Basel, Switzerland)","2024","29","2","311","","10.3390/molecules29020311","","","0.71073","MoKα","","0.0664","0.0526","","","0.1408","0.1503","","","","","","1.026","","","","has coordinates,has disorder","289669","2024-02-05","05:09:39",""
"1570915","22.0739","0.0018","24.3392","0.0018","17.9481","0.0015","90","","90","","90","","9642.8","1.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C101 H101 Cu3 N9 O19 -","- C101 H99 Cu3 N9 O19 -","- C404 H396 Cu12 N36 O76 -","4","1","","Lin, Shu-Yu; Shen, Yi-Lin; Chen, Wei-Hao; Govindaraj, Manivannan; Chen, Jhy-Der","Cu(II) Coordination Polymers Containing Mixed Ligands with Different Flexibilities: Structural Diversity and Iodine Adsorption.","Molecules (Basel, Switzerland)","2024","29","2","311","","10.3390/molecules29020311","","","0.71073","MoKα","","0.1364","0.0571","","","0.1019","0.1244","","","","","","1.002","","","","has coordinates,has disorder","289669","2024-02-05","05:09:39",""
"1570916","13.644","0.012","25.64","0.02","29.54","0.03","90","","90","","90","","10334","16","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C56 H51 Cl2 N8 O4.5 -","- C56 H51 Cl2 N8 O4.5 -","- C448 H408 Cl16 N64 O36 -","8","1","","Li, Yong; He, Liujun; Qin, Hongxia; Liu, Yao; Yang, Binxin; Xu, Zhigang; Yang, Donglin","A Facile Ugi/Ullmann Cascade Reaction to Access Fused Indazolo-Quinoxaline Derivatives with Potent Anticancer Activity.","Molecules (Basel, Switzerland)","2024","29","2","464","","10.3390/molecules29020464","","","0.71073","MoKα","","0.1786","0.0572","","","0.1171","0.1455","","","","","","0.85","","","","has coordinates","289670","2024-02-05","05:10:10",""
"1570917","20.3737","0.0006","12.9319","0.0003","20.6857","0.0006","90","","106.129","0.001","90","","5235.6","0.2","296","2","296","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C45.5 H25 Al Eu F18 N3 O12 -","- C46.5 H25 Al Eu F18 N3 O12 -","- C186 H100 Al4 Eu4 F72 N12 O48 -","4","1","","Gallo, Elisa; Bellucci, Luca; Carlotto, Silvia; Bottaro, Gregorio; Babetto, Luca; Giordano, Luca; Marchetti, Fabio; Samaritani, Simona; Armelao, Lidia; Labella, Luca","Aluminium 8-Hydroxyquinolinate <i>N</i>-Oxide as a Precursor to Heterometallic Aluminium-Lanthanide Complexes.","Molecules (Basel, Switzerland)","2024","29","2","451","","10.3390/molecules29020451","","","0.71073","MoKα","","0.0791","0.0512","","","0.129","0.145","","","","","","1.054","","","","has coordinates,has disorder","289671","2024-02-05","05:10:30",""
"1570918","8.2312","0.0019","16.306","0.003","12.099","0.003","90","","90","","90","","1623.9","0.6","100","1","100","1","","","","","","","","3","P n a 21","P 2c -2n","33","Bat-intermediate-down","","","- C19 H18 O8 -","- C19 H18 O8 -","- C76 H72 O32 -","4","1","","Kamma, Koteswara Rao; Cho, Joungmo; Won, Hyo Jun; Nam, So-Yeon; Le, Ngan Hong; Jung, Je Hyeong; Lee, Kee-In","Synthetic Studies toward 5,6,7,3',4'-Monomethoxytetrahydroxyflavones: Synthesis of Pedalitin.","Molecules (Basel, Switzerland)","2024","29","2","513","","10.3390/molecules29020513","","","0.71073","MoKa","","0.0552","0.0492","","","0.1038","0.1065","","","","","","1.087","","","","has coordinates","289672","2024-02-05","05:10:49",""
"1570919","8.9444","0.0001","10.971","0.0002","13.8699","0.0002","108.253","0.002","93.627","0.001","112.862","0.002","1164.11","0.04","298","","298","","","","","","","","","3","P -1","-P 1","2","","Ac-B","","- C24 H20 O11 -","- C24 H20 O11 -","- C48 H40 O22 -","2","1","","Kamma, Koteswara Rao; Cho, Joungmo; Won, Hyo Jun; Nam, So-Yeon; Le, Ngan Hong; Jung, Je Hyeong; Lee, Kee-In","Synthetic Studies toward 5,6,7,3',4'-Monomethoxytetrahydroxyflavones: Synthesis of Pedalitin.","Molecules (Basel, Switzerland)","2024","29","2","513","","10.3390/molecules29020513","","x-ray","1.54184","CuKα","","0.063","0.0543","","","0.1661","0.1754","","","","","","1.076","","","","has coordinates,has disorder","289673","2024-02-05","05:11:07",""
"1570920","17.9683","0.0009","7.3231","0.0004","17.3899","0.0008","90","","91.123","0.002","90","","2287.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 Cl2 N3 Pt S -","- C8 H11 Cl2 N3 Pt S -","- C64 H88 Cl16 N24 Pt8 S8 -","8","2","","Fernandez-Delgado, Elena Estirado, Samuel Rodriguez, Ana B. Vinuelas-Zahinos, Emilio Luna-Giles, Francisco Espino, Javier Pariente, Jose A.","Synthesis, characterization, crystal structures and cytotoxic activity of Pt(II) complexes with N,N-donor ligands in tumor cell lines","Polyhedron","2024","248","","116756","","10.1016/j.poly.2023.116756","","","0.71073","MoKα","","0.0793","0.0597","","","0.14","0.15","","","","","","1.054","","","","has coordinates","289699","2024-02-05","16:22:40",""
"1570921","7.4526","0.0003","17.5917","0.0007","18.3383","0.0008","90","","90","","90","","2404.22","0.17","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H13 Cl2 N3 Pt S -","- C9 H13 Cl2 N3 Pt S -","- C72 H104 Cl16 N24 Pt8 S8 -","8","1","","Fernandez-Delgado, Elena Estirado, Samuel Rodriguez, Ana B. Vinuelas-Zahinos, Emilio Luna-Giles, Francisco Espino, Javier Pariente, Jose A.","Synthesis, characterization, crystal structures and cytotoxic activity of Pt(II) complexes with N,N-donor ligands in tumor cell lines","Polyhedron","2024","248","","116756","","10.1016/j.poly.2023.116756","","","0.71073","MoKα","","0.052","0.029","","","0.0499","0.0555","","","","","","1.027","","","","has coordinates","289700","2024-02-05","16:24:34",""
"1570928","16.359","0.003","6.5479","0.0011","9.5918","0.0017","90","","90","","90","","1027.4","0.3","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H12 Br3 Cu2 N -","- C4 H12 Br3 Cu2 N -","- C16 H48 Br12 Cu8 N4 -","4","0.5","","Hassan, Nahid; Nagaraja, Suneetha; Saha, Sauvik; Tarafder, Kartick; Ballav, Nirmalya","Excitonic cuprophilic interactions in one-dimensional hybrid organic-inorganic crystals.","Chemical science","2024","15","11","4075","4085","10.1039/d3sc06255d","","","0.71073","MoKα","","0.0258","0.0241","","","0.0944","0.0971","","","","","","0.86","","","","has coordinates","290853","2024-04-04","22:50:25",""
"1570929","16.535","0.002","7.0771","0.0009","9.6517","0.0011","90","","90","","90","","1129.4","0.2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H12 Ag2 Br3 N -","- C4 H12 Ag2 Br3 N -","- C16 H48 Ag8 Br12 N4 -","4","0.5","","Hassan, Nahid; Nagaraja, Suneetha; Saha, Sauvik; Tarafder, Kartick; Ballav, Nirmalya","Excitonic cuprophilic interactions in one-dimensional hybrid organic-inorganic crystals.","Chemical science","2024","15","11","4075","4085","10.1039/d3sc06255d","","","0.71073","MoKα","","0.0252","0.0222","","","0.048","0.0489","","","","","","1.217","","","","has coordinates,has disorder","290853","2024-04-04","22:50:25",""
"1570930","13.6717","0.0012","16.5727","0.0014","19.6345","0.0017","85.336","0.002","85.8","0.002","78.852","0.002","4342.8","0.6","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H30 B N O3 -","- C23 H30 B N O3 -","- C184 H240 B8 N8 O24 -","8","4","","Geng, Hui-Qing; Zhao, Yan-Hua; Yang, Peng; Wu, Xiao-Feng","Copper-catalyzed carbonylative multi-component borylamidation of alkenes for synthesizing γ-boryl amides with CO as both methylene and carbonyl sources.","Chemical science","2024","15","11","3996","4004","10.1039/d4sc00156g","","","0.71073","MoKα","","0.0746","0.0561","","","0.1413","0.1572","","","","","","1.025","","","","has coordinates,has disorder","290861","2024-04-04","22:53:12",""
"1570931","12.5971","0.0005","16.0044","0.0008","16.598","0.0008","87.861","0.002","89.132","0.001","85.016","0.002","3331.1","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C67.5 H57.75 Cd2 N8.75 O14.25 S4 -","- C67.5 H54.75 Cd2 N8.75 O14.25 S4 -","- C135 H109.5 Cd4 N17.5 O28.5 S8 -","2","1","","Wang, Lei; Qiao, Si-Bo; Chen, Yan-Ting; Ma, Xun; Wei, Wei-Ming; Zhang, Jun; Du, Lin; Zhao, Qi-Hua","[2 + 2] cycloaddition and its photomechanical effects on 1D coordination polymers with reversible amide bonds and coordination site regulation.","Chemical science","2024","15","11","3971","3979","10.1039/d3sc06098e","","","0.71073","MoKα","","0.0712","0.0459","","","0.1055","0.1195","","","","","","1.041","","","","has coordinates,has disorder","290850","2024-04-04","22:49:42",""
"1570932","10.253","0.0004","10.3656","0.0005","12.3264","0.0006","93.007","0.002","101.743","0.002","118.813","0.002","1106.38","0.09","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C H Cd0.07 I0 N O S -","- C3 H3.14286 Cd0.142857 N0.285714 O1.28571 S0.142857 -","- C42 H44 Cd2 N4 O18 S2 -","14","7","","Wang, Lei; Qiao, Si-Bo; Chen, Yan-Ting; Ma, Xun; Wei, Wei-Ming; Zhang, Jun; Du, Lin; Zhao, Qi-Hua","[2 + 2] cycloaddition and its photomechanical effects on 1D coordination polymers with reversible amide bonds and coordination site regulation.","Chemical science","2024","15","11","3971","3979","10.1039/d3sc06098e","","","0.71073","MoKα","","0.0254","0.0224","","","0.0566","0.058","","","","","","1.054","","","","has coordinates","290850","2024-04-04","22:49:42",""
"1570933","10.5185","0.0018","10.725","0.0018","14.858","0.003","93.035","0.005","95.697","0.006","106.48","0.005","1593.6","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H27.5 Cd N2 O8.25 S2 -","- C33 H28.5 Cd N4 O8.25 S2 -","- C66 H57 Cd2 N8 O16.5 S4 -","2","1","","Wang, Lei; Qiao, Si-Bo; Chen, Yan-Ting; Ma, Xun; Wei, Wei-Ming; Zhang, Jun; Du, Lin; Zhao, Qi-Hua","[2 + 2] cycloaddition and its photomechanical effects on 1D coordination polymers with reversible amide bonds and coordination site regulation.","Chemical science","2024","15","11","3971","3979","10.1039/d3sc06098e","","","0.71073","MoKα","","0.0667","0.0476","","","0.1022","0.1156","","","","","","1.102","","","","has coordinates,has disorder","290850","2024-04-04","22:49:42",""
"1570934","5.8281","0.0011","11.54","0.002","15.611","0.002","90","","90","","90","","1049.9","0.3","113.15","","113.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 B F2 N O2 -","- C10 H12 B F2 N O2 -","- C40 H48 B4 F8 N4 O8 -","4","1","","Ikeshita, Masahiro; Ichinose, Miku; Tsuno, Takashi","Luminescent solvent-free liquids based on Schiff-base boron difluoride complexes with polyethylene glycol chains.","Soft matter","2024","20","9","2178","2184","10.1039/d3sm01590d","","x-ray","0.71073","MoKα","","0.1052","0.0655","","","0.118","0.1304","","","","","","0.98","","","","has coordinates","290287","2024-03-04","20:47:19",""
"1570935","9.7046","0.0008","15.3874","0.0009","9.7174","0.0007","90","","113.886","0.008","90","","1326.8","0.18","113.15","","113.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 B F2 N O2 -","- C14 H14 B F2 N O2 -","- C56 H56 B4 F8 N4 O8 -","4","1","","Ikeshita, Masahiro; Ichinose, Miku; Tsuno, Takashi","Luminescent solvent-free liquids based on Schiff-base boron difluoride complexes with polyethylene glycol chains.","Soft matter","2024","20","9","2178","2184","10.1039/d3sm01590d","","x-ray","0.71073","MoKα","","0.0526","0.0396","","","0.1063","0.1142","","","","","","1.084","","","","has coordinates","290287","2024-03-04","20:47:19",""
"1570936","12.7885","0.0011","12.1016","0.0011","8.5117","0.0009","90","","105.467","0.01","90","","1269.6","0.2","113.15","","113.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C14 H14 B F2 N O2 -","- C14 H14 B F2 N O2 -","- C56 H56 B4 F8 N4 O8 -","4","1","","Ikeshita, Masahiro; Ichinose, Miku; Tsuno, Takashi","Luminescent solvent-free liquids based on Schiff-base boron difluoride complexes with polyethylene glycol chains.","Soft matter","2024","20","9","2178","2184","10.1039/d3sm01590d","","x-ray","0.71073","MoKα","","0.0446","0.0386","","","0.0971","0.1013","","","","","","1.018","","","","has coordinates","290287","2024-03-04","20:47:19",""
"1570937","24.5191","0.0014","6.0356","0.0003","17.3921","0.0009","90","","94.286","0.005","90","","2566.6","0.2","113.15","","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 B F2 N O2 -","- C14 H14 B F2 N O2 -","- C112 H112 B8 F16 N8 O16 -","8","2","","Ikeshita, Masahiro; Ichinose, Miku; Tsuno, Takashi","Luminescent solvent-free liquids based on Schiff-base boron difluoride complexes with polyethylene glycol chains.","Soft matter","2024","20","9","2178","2184","10.1039/d3sm01590d","","x-ray","0.71073","MoKα","","0.0818","0.0514","","","0.1197","0.1324","","","","","","1.015","","","","has coordinates","290287","2024-03-04","20:47:19",""
"1570938","30.834","0.0015","7.832","0.0002","22.5177","0.0011","90","","132.054","0.008","90","","4037.7","0.6","261","2","261","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H17 Cl N3 O2 -","- C26 H18 Cl N3 O2 -","- C208 H144 Cl8 N24 O16 -","8","1","","An, Bohang; Cui, Hao; Zheng, Chao; Chen, Ji-Lin; Lan, Feng; You, Shu-Li; Zhang, Xiao","Tunable C-H functionalization and dearomatization enabled by an organic photocatalyst.","Chemical science","2024","15","11","4114","4120","10.1039/d4sc00120f","","","1.54184","CuKα","","0.0965","0.0873","","","0.2537","0.2661","","","","","","1.075","","","","has coordinates,has disorder","290852","2024-04-04","22:50:17",""
"1570939","16.36721","0.00018","9.18575","0.00009","19.5534","0.00019","90","","91.7495","0.0009","90","","2938.39","0.05","236","2","236","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H27 N3 -","- C42 H27 N3 -","- C168 H108 N12 -","4","1","","An, Bohang; Cui, Hao; Zheng, Chao; Chen, Ji-Lin; Lan, Feng; You, Shu-Li; Zhang, Xiao","Tunable C-H functionalization and dearomatization enabled by an organic photocatalyst.","Chemical science","2024","15","11","4114","4120","10.1039/d4sc00120f","","","1.54184","CuKα","","0.0453","0.0411","","","0.1138","0.1179","","","","","","1.054","","","","has coordinates","290852","2024-04-04","22:50:17",""
"1570940","12.4937","0.0002","24.0509","0.0004","10.0306","0.0002","90","","104.017","0.002","90","","2924.3","0.09","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H39 N3 -","- C36 H39 N3 -","- C144 H156 N12 -","4","1","","An, Bohang; Cui, Hao; Zheng, Chao; Chen, Ji-Lin; Lan, Feng; You, Shu-Li; Zhang, Xiao","Tunable C-H functionalization and dearomatization enabled by an organic photocatalyst.","Chemical science","2024","15","11","4114","4120","10.1039/d4sc00120f","","","1.54184","CuKα","","0.0869","0.0741","","","0.2095","0.2211","","","","","","1.059","","","","has coordinates,has disorder","290852","2024-04-04","22:50:17",""
"1570941","6.0112","0.0001","15.7452","0.0002","19.7395","0.0002","83.775","0.001","82.422","0.001","80.271","0.001","1818.23","0.04","301","2","301","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 N O4 -","- C20 H17 N O4 -","- C80 H68 N4 O16 -","4","2","","An, Bohang; Cui, Hao; Zheng, Chao; Chen, Ji-Lin; Lan, Feng; You, Shu-Li; Zhang, Xiao","Tunable C-H functionalization and dearomatization enabled by an organic photocatalyst.","Chemical science","2024","15","11","4114","4120","10.1039/d4sc00120f","","","1.54184","CuKα","","0.0582","0.0516","","","0.153","0.1617","","","","","","0.973","","","","has coordinates","290852","2024-04-04","22:50:17",""
"1570942","27.5274","0.0003","9.9406","0.0001","27.6836","0.0003","90","","90","","90","","7575.31","0.14","278","2","278","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H23 N O4 -","- C22 H23 N O4 -","- C352 H368 N16 O64 -","16","4","","An, Bohang; Cui, Hao; Zheng, Chao; Chen, Ji-Lin; Lan, Feng; You, Shu-Li; Zhang, Xiao","Tunable C-H functionalization and dearomatization enabled by an organic photocatalyst.","Chemical science","2024","15","11","4114","4120","10.1039/d4sc00120f","","","1.54184","CuKα","","0.0361","0.0336","","","0.089","0.0911","","","","","","1.016","","","","has coordinates","290852","2024-04-04","22:50:17",""
"1570943","19.803","0.004","19.885","0.004","32.507","0.007","86.42","0.03","73.32","0.03","62.2","0.03","10808","5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C6.43 H6.89 Ag0.39 Au0.39 Cl0.26 P0.07 Rh0.03 S0.59 -","- C6.39344 H6.81967 Ag0.466852 Au0.320033 Cl0.196721 P0.0655738 Rh0.0327869 S0.590164 -","- C390 H416 Ag28.478 Au19.522 Cl12 P4 Rh2 S36 -","61","30.5","","Han, Sang Myeong; Song, Suhwan; Yi, Hanseok; Sim, Eunji; Lee, Dongil","Synthesis of RhH-doped Au-Ag alloy nanoclusters and dopant evolution.","Nanoscale","2024","16","9","4851","4857","10.1039/d3nr05654f","","","0.8","synchrotron","","0.1146","0.0916","","","0.2592","0.2792","","","","","","1.068","","","","has coordinates,has disorder","291007","2024-04-04","23:56:48",""
"1570944","15.099","0.0018","15.0514","0.0017","15.4881","0.0016","90","","96.33","0.002","90","","3498.4","0.7","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H36 Cl2 O2 -","- C48 H36 Cl2 O2 -","- C192 H144 Cl8 O8 -","4","1","","Yang, Hui; Chen, Guofeng; Zhang, Ran; Zhu, Yanjie; Xiao, Jinchong","Coumarin-embedded [5]helicene derivatives: synthesis, X-ray analysis and photoconducting properties.","Nanoscale","2024","16","10","5395","5400","10.1039/d3nr05887e","","","0.71073","MoKα","","0.1848","0.0898","","","0.1937","0.229","","","","","","1.065","","","","has coordinates","291004","2024-04-04","23:55:56",""
"1570945","18.0865","0.0018","18.3505","0.0019","19.254","0.002","100.696","0.003","102.593","0.003","93.475","0.002","6094.1","1.1","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C38.5 H25.5 O2 -","- C38.5 H25.5 O2 -","- C308 H204 O16 -","8","4","","Yang, Hui; Chen, Guofeng; Zhang, Ran; Zhu, Yanjie; Xiao, Jinchong","Coumarin-embedded [5]helicene derivatives: synthesis, X-ray analysis and photoconducting properties.","Nanoscale","2024","16","10","5395","5400","10.1039/d3nr05887e","","","0.71073","MoKα","","0.2163","0.1126","","","0.2629","0.3034","","","","","","1.088","","","","has coordinates,has disorder","291004","2024-04-04","23:55:56",""
"1570946","13.2667","0.0011","13.8534","0.0012","22.0429","0.0019","90","","93.349","0.002","90","","4044.3","0.6","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H46 N6 O12 Zn -","- C40 H46 N6 O12 Zn -","- C160 H184 N24 O48 Zn4 -","4","0.5","","Khattak, Zafar A. K.; Ahmad, Nazir; Younus, Hussein A.; Ullah, Habib; Yu, Baoyi; Munawar, Khurram S.; Ashfaq, Muhammad; Yaseen, Muhammad; Danish, Muhammad; Al-Abri, Mohammed; AlHajri, Rashid; Verpoort, Francis","Ambient conversion of CO2 and epoxides to cyclic carbonates using 3D amide-functionalized MOFs","Catalysis Science & Technology","2024","14","7","1888","1901","10.1039/D3CY01709E","","","0.71073","MoKα","","0.0487","0.0382","","","0.1027","0.1092","","","","","","1.049","","","","has coordinates","290794","2024-04-04","22:21:04",""
"1570947","8.5352","0.0002","14.7848","0.0004","20.0361","0.0006","90","","101.894","0.001","90","","2474.1","0.12","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 B6 Os2 -","- C20 H36 B6 Os2 -","- C80 H144 B24 Os8 -","4","1","","Kar, Ketaki; Kar, Sourav; Ghosh, Sundargopal","Rule breaker boron clusters: a new class of hypoelectronic osmaborane clusters [(Cp*Os)<sub>2</sub>B<sub><i>n</i></sub>H<sub><i>n</i></sub>] (<i>n</i> = 6-10).","Chemical science","2024","15","11","4179","4186","10.1039/d3sc06464f","","","0.71073","MoKα","","0.0409","0.0304","","","0.0588","0.0665","","","","","","1.101","","","","has coordinates","290849","2024-04-04","22:49:32",""
"1570948","8.891","0.008","15.195","0.011","19.952","0.018","90","","100.42","0.03","90","","2651","4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H40 B10 Os2 -","- C20 H40 B10 Os2 -","- C80 H160 B40 Os8 -","4","1","","Kar, Ketaki; Kar, Sourav; Ghosh, Sundargopal","Rule breaker boron clusters: a new class of hypoelectronic osmaborane clusters [(Cp*Os)<sub>2</sub>B<sub><i>n</i></sub>H<sub><i>n</i></sub>] (<i>n</i> = 6-10).","Chemical science","2024","15","11","4179","4186","10.1039/d3sc06464f","","","0.71073","MoKα","","0.1191","0.091","","","0.2329","0.2685","","","","","","1.122","","","","has coordinates","290849","2024-04-04","22:49:32",""
"1570949","9.172","0.003","15.337","0.005","19.588","0.006","90","","103.464","0.01","90","","2679.7","1.5","297","2","297","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H38 B8 Os2 -","- C20 H38 B8 Os2 -","- C80 H152 B32 Os8 -","4","1","","Kar, Ketaki; Kar, Sourav; Ghosh, Sundargopal","Rule breaker boron clusters: a new class of hypoelectronic osmaborane clusters [(Cp*Os)<sub>2</sub>B<sub><i>n</i></sub>H<sub><i>n</i></sub>] (<i>n</i> = 6-10).","Chemical science","2024","15","11","4179","4186","10.1039/d3sc06464f","","","0.71073","MoKα","","0.0381","0.0343","","","0.074","0.0771","","","","","","1.114","","","","has coordinates,has disorder","290849","2024-04-04","22:49:32",""
"1570950","23.6454","0.0008","23.6454","0.0008","8.8984","0.0003","90","","90","","90","","4975.1","0.3","296","2","296","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C20 H37 B7 Os2 -","- C20 H37 B7 Os2 -","- C160 H296 B56 Os16 -","8","1","","Kar, Ketaki; Kar, Sourav; Ghosh, Sundargopal","Rule breaker boron clusters: a new class of hypoelectronic osmaborane clusters [(Cp*Os)<sub>2</sub>B<sub><i>n</i></sub>H<sub><i>n</i></sub>] (<i>n</i> = 6-10).","Chemical science","2024","15","11","4179","4186","10.1039/d3sc06464f","","","0.71073","MoKα","","0.0289","0.0218","","","0.0376","0.0407","","","","","","1.071","","","","has coordinates","290849","2024-04-04","22:49:32",""
"1570951","8.9252","0.001","14.6904","0.0016","20.153","0.002","90","","99.649","0.005","90","","2605","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H39 B9 Os2 -","- C20 H39 B9 Os2 -","- C80 H156 B36 Os8 -","4","1","","Kar, Ketaki; Kar, Sourav; Ghosh, Sundargopal","Rule breaker boron clusters: a new class of hypoelectronic osmaborane clusters [(Cp*Os)<sub>2</sub>B<sub><i>n</i></sub>H<sub><i>n</i></sub>] (<i>n</i> = 6-10).","Chemical science","2024","15","11","4179","4186","10.1039/d3sc06464f","","","0.71073","MoKα","","0.0612","0.0489","","","0.1139","0.1278","","","","","","1.133","","","","has coordinates","290849","2024-04-04","22:49:32",""
"1570952","21.6551","0.0008","21.6551","0.0008","21.6551","0.0008","90","","90","","90","","10155","0.6","100","","100","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Eu-NH2-BDC-100K","","- C96 Eu12 N12 O64 -","- C96 Eu12 N12 O64 -","- C192 Eu24 N24 O128 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.058","0.0425","","","0.109","0.1182","","","","","","1.026","","","","has coordinates","290836","2024-04-04","22:43:45",""
"1570953","21.7226","0.0009","21.7226","0.0009","21.7226","0.0009","90","","90","","90","","10250.3","0.7","200","","200","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","3","","- C96 Eu12 N12 O64 -","- C96 Eu12 N12 O64 -","- C192 Eu24 N24 O128 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.0719","0.0513","","","0.1324","0.1442","","","","","","1.02","","","","has coordinates","290836","2024-04-04","22:43:46",""
"1570954","21.7212","0.0008","21.7212","0.0008","21.7212","0.0008","90","","90","","90","","10248.3","0.7","150","","150","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Eu-NH2-BDC-150K","","- C96 Eu12 N12 O64 -","- C96 Eu12 N12 O64 -","- C192 Eu24 N24 O128 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.0639","0.049","","","0.1274","0.135","","","","","","1.048","","","","has coordinates","290836","2024-04-04","22:43:46",""
"1570955","21.6449","0.0008","21.6449","0.0008","21.6449","0.0008","90","","90","","90","","10140.7","0.6","250","","250","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","4","","- C96 Eu12 N12 O64 -","- C96 Eu12 N12 O64 -","- C192 Eu24 N24 O128 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.0575","0.0437","","","0.1168","0.1218","","","","","","1.037","","","","has coordinates","290836","2024-04-04","22:43:46",""
"1570956","21.6439","0.0012","21.6439","0.0012","21.6439","0.0012","90","","90","","90","","10139.3","1","200","","200","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C96 Eu12 O76 -","- C96 Eu12 O76 -","- C192 Eu24 O152 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.1197","0.0875","","","0.2215","0.2384","","","","","","1.08","","","","has coordinates","290836","2024-04-04","22:43:46",""
"1570957","21.68","0.0012","21.68","0.0012","21.68","0.0012","90","","90","","90","","10190.1","1","100","","100","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C96 Eu12 O76 -","- C96 Eu12 O76 -","- C192 Eu24 O152 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.1211","0.0922","","","0.2167","0.2331","","","","","","1.037","","","","has coordinates","290836","2024-04-04","22:43:46",""
"1570958","21.5913","0.0007","21.5913","0.0007","21.5913","0.0007","90","","90","","90","","10065.5","0.6","300","","300","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Eu-NH2-BDC-300K","","- C96 Eu12 N12 O64 -","- C96 Eu12 N12 O64 -","- C192 Eu24 N24 O128 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.0629","0.0482","","","0.1306","0.1389","","","","","","1.063","","","","has coordinates","290836","2024-04-04","22:43:46",""
"1570959","21.6136","0.0013","21.6136","0.0013","21.6136","0.0013","90","","90","","90","","10096.7","1.1","250","","250","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C96 Eu12 O76 -","- C96 Eu12 O76 -","- C192 Eu24 O152 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.1115","0.0786","","","0.1897","0.2022","","","","","","1.071","","","","has coordinates","290836","2024-04-04","22:43:46",""
"1570960","21.6408","0.0006","21.6408","0.0006","21.6408","0.0006","90","","90","","90","","10134.9","0.5","100","","100","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Eu-NDC-100K","","- C132 Eu12 O64 -","- C132 Eu12 O64 -","- C264 Eu24 O128 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.055","0.0464","","","0.1184","0.122","","","","","","1.084","","","","has coordinates","290836","2024-04-04","22:43:46",""
"1570961","21.7434","0.0016","21.7434","0.0016","21.7434","0.0016","90","","90","","90","","10279.7","1.3","150","","150","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C96 Eu12 O76 -","- C96 Eu12 O76 -","- C192 Eu24 O152 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.1193","0.0913","","","0.2112","0.2249","","","","","","1.105","","","","has coordinates","290836","2024-04-04","22:43:46",""
"1570962","21.6478","0.0005","21.6478","0.0005","21.6478","0.0005","90","","90","","90","","10144.7","0.4","250","","250","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Eu-NDC-250K","","- C132 Eu12 O64 -","- C132 Eu12 O64 -","- C264 Eu24 O128 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.0503","0.0437","","","0.1177","0.1205","","","","","","1.133","","","","has coordinates","290836","2024-04-04","22:43:46",""
"1570963","21.59","0.0006","21.59","0.0006","21.59","0.0006","90","","90","","90","","10063.7","0.5","300","","300","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Eu-NDC-300K","","- C132 Eu12 O64 -","- C132 Eu12 O64 -","- C264 Eu24 O128 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.0592","0.0476","","","0.1227","0.1286","","","","","","1.074","","","","has coordinates","290836","2024-04-04","22:43:46",""
"1570964","21.556","0.002","21.556","0.002","21.556","0.002","90","","90","","90","","10016.2","1.6","300","","300","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C96 Eu12 O76 -","- C96 Eu12 O76 -","- C192 Eu24 O152 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.0939","0.067","","","0.1634","0.1753","","","","","","1.013","","","","has coordinates","290836","2024-04-04","22:43:46",""
"1570965","21.6554","0.0006","21.6554","0.0006","21.6554","0.0006","90","","90","","90","","10155.4","0.5","200","","200","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Eu-NDC-200K","","- C132 Eu12 O64 -","- C132 Eu12 O64 -","- C264 Eu24 O128 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.0504","0.0426","","","0.1083","0.1116","","","","","","1.106","","","","has coordinates","290836","2024-04-04","22:43:46",""
"1570966","21.6573","0.0006","21.6573","0.0006","21.6573","0.0006","90","","90","","90","","10158.1","0.5","150","","150","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Eu-NDC-150K","","- C132 Eu12 O64 -","- C132 Eu12 O64 -","- C264 Eu24 O128 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.0511","0.0438","","","0.1165","0.1189","","","","","","1.176","","","","has coordinates","290836","2024-04-04","22:43:46",""
"1570967","9.7878","0.0001","26.2103","0.0003","12.6443","0.0001","90","","97.202","0.001","90","","3218.19","0.06","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Aquabis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(isonicotinamide-κN)ruthenium(II) bistriflate","Aquabis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(isonicotinamide-κ<i>N</i>)ruthenium(II) bis(trifluoromethanesulfonate)","","- C28 H24 F6 N6 O8 Ru S2 -","- C28 H24 F6 N6 O8 Ru S2 -","- C112 H96 F24 N24 O32 Ru4 S8 -","4","1","BT4147","Faubert, Liam; Arman, Hadi D.; Adrian, Rafael A.","Aquabis(2,2′-bipyridine-κ2 N,N′)(isonicotinamide-κN)ruthenium(II) bis(trifluoromethanesulfonate)","IUCrData","2024","9","2","","","10.1107/S2414314624001147","","x-ray","1.54184","CuKα","","0.0729","0.0712","","","0.1574","0.1585","","","","","","1.056","","","","has coordinates,has disorder","289771","2024-02-09","03:23:02",""
"1570968","14.434","0.0003","13.9644","0.0002","14.2126","0.0002","90","","102.536","0.0016","90","","2796.43","0.08","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')(4,4'-dimethoxy-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')palladium(II) bis(trifluoromethanesulfonate)","","- C24 H20 F6 N4 O8 Pd S2 -","- C24 H20 F6 N4 O8 Pd S2 -","- C96 H80 F24 N16 O32 Pd4 S8 -","4","1","WM4206","Vargas, Brittney B.; Arman, Hadi D.; Adrian, Rafael A.","(2,2′-Bipyridine-κ2 N,N′)(4,4′-dimethoxy-2,2′-bipyridine-κ2 N,N′)palladium(II) bis(trifluoromethanesulfonate)","IUCrData","2024","9","2","","","10.1107/S2414314624001093","","x-ray","1.54184","CuKα","","0.0413","0.0376","","","0.0966","0.0999","","","","","","1.042","","","","has coordinates","289772","2024-02-09","03:23:18",""
"1570969","8.0198","0.0003","9.4799","0.0004","13.7043","0.0006","103.446","0.002","97.519","0.002","102.443","0.002","971.41","0.07","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H19 N O2 -","- C27 H19 N O2 -","- C54 H38 N2 O4 -","2","1","","Qian, Chenxiao; Huang, Jing; Huang, Tingting; Song, Lijuan; Sun, Jianwei; Li, Pengfei","Organocatalytic enantioselective synthesis of C<sub>sp<sub>2</sub></sub>-N atropisomers <i>via</i> formal C<sub>sp<sub>2</sub></sub>-O bond amination.","Chemical science","2024","15","11","3893","3900","10.1039/d3sc06707f","","x-ray","0.71073","MoKα","","0.0786","0.0514","","","0.1162","0.1274","","","","","","1.038","","","","has coordinates","290856","2024-04-04","22:50:53",""
"1570970","28.218","0.002","10.8756","0.0007","17.0557","0.0012","90","","124.15","0.002","90","","4331.7","0.5","100","0.2","100","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H22 N O2.5 -","- C28.5 H22 N O2.5 -","- C228 H176 N8 O20 -","8","1","","Qian, Chenxiao; Huang, Jing; Huang, Tingting; Song, Lijuan; Sun, Jianwei; Li, Pengfei","Organocatalytic enantioselective synthesis of C<sub>sp<sub>2</sub></sub>-N atropisomers <i>via</i> formal C<sub>sp<sub>2</sub></sub>-O bond amination.","Chemical science","2024","15","11","3893","3900","10.1039/d3sc06707f","","x-ray","0.71073","MoKα","","0.0861","0.0489","","","0.1048","0.1219","","","","","","1.025","","","","has coordinates","290856","2024-04-04","22:50:53",""
"1570971","7.8226","0.0005","9.87","0.0006","13.4677","0.0008","72.435","0.002","82.536","0.002","83.621","0.002","980.1","0.1","100","0.2","100","0.2","","","","","","","","4","P 1","P 1","1","","","","- C27 H19 N O2 -","- C27 H19 N O2 -","- C54 H38 N2 O4 -","2","2","","Qian, Chenxiao; Huang, Jing; Huang, Tingting; Song, Lijuan; Sun, Jianwei; Li, Pengfei","Organocatalytic enantioselective synthesis of C<sub>sp<sub>2</sub></sub>-N atropisomers <i>via</i> formal C<sub>sp<sub>2</sub></sub>-O bond amination.","Chemical science","2024","15","11","3893","3900","10.1039/d3sc06707f","","x-ray","1.54178","CuKα","","0.0317","0.0301","","","0.0783","0.0797","","","","","","1.031","","","","has coordinates","290856","2024-04-04","22:50:53",""
"1570972","5.0119","0.0004","10.5046","0.0008","14.7245","0.0013","101.744","0.005","99.652","0.005","96.654","0.004","739.15","0.11","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H42 N4 O4 S2 -","- C28 H42 N4 O4 S2 -","- C28 H42 N4 O4 S2 -","1","0.5","","Li, Kunrong; Zhang, Hezhe; Chang, Cheng; Lin, Kaiwen; Zhang, Bo; Ma, Zaifei; Wei, Dacheng; Zhang, Qing","A hydrogen bonded azine as a building block for π-conjugated polymers and their semiconducting properties","Polymer Chemistry","2024","15","10","991","998","10.1039/D3PY01346D","","","","","","0.17","","","","","","","","","","","","","","","has coordinates","291069","2024-04-05","00:18:03",""
"1570973","26.1891","0.0017","7.1383","0.0004","14.0543","0.0011","90","","120.864","0.004","90","","2255.3","0.3","210","","210","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H5 Mn0.5 N4 O5 Pb -","- C9 H5 Mn0.5 N4 O5 Pb -","- C72 H40 Mn4 N32 O40 Pb8 -","8","1","","Wang, Xiyu; Yang, Guo-Ping; Wang, Yao-Yu","Catalytic comparison of cyanosilylation/Knoevenagel condensation reactions by Pb-based heterometallic organic frameworks with different second metal ions","Catalysis Science & Technology","2024","14","6","1613","1621","10.1039/D3CY01549A","","","0.71073","MoKα","","0.0226","0.0213","","","0.0563","0.0571","","","","","","1.142","","","","has coordinates","290793","2024-04-04","22:20:54",""
"1570974","26.201","0.006","7.1538","0.0017","14.084","0.004","90","","120.846","0.008","90","","2266.4","1","256","","256","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","PbZn","","- C9 H5 N4 O5 Pb Zn0.5 -","- C9 H5 N4 O5 Pb Zn0.5 -","- C72 H40 N32 O40 Pb8 Zn4 -","8","1","","Wang, Xiyu; Yang, Guo-Ping; Wang, Yao-Yu","Catalytic comparison of cyanosilylation/Knoevenagel condensation reactions by Pb-based heterometallic organic frameworks with different second metal ions","Catalysis Science & Technology","2024","14","6","1613","1621","10.1039/D3CY01549A","","","0.71073","MoKα","","0.026","0.0236","","","0.0548","0.0561","","","","","","1.11","","","","has coordinates","290793","2024-04-04","22:20:55",""
"1570975","26.2822","0.0012","7.2428","0.0002","14.042","0.0006","90","","120.511","0.001","90","","2302.86","0.16","210","","210","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","PbCd","","- C9 H5 Cd0.5 N4 O5 Pb -","- C9 H5 Cd0.5 N4 O5 Pb -","- C72 H40 Cd4 N32 O40 Pb8 -","8","1","","Wang, Xiyu; Yang, Guo-Ping; Wang, Yao-Yu","Catalytic comparison of cyanosilylation/Knoevenagel condensation reactions by Pb-based heterometallic organic frameworks with different second metal ions","Catalysis Science & Technology","2024","14","6","1613","1621","10.1039/D3CY01549A","","","0.71073","MoKα","","0.0284","0.0267","","","0.0703","0.0719","","","","","","1.091","","","","has coordinates,has disorder","290793","2024-04-04","22:20:55",""
"1570976","12.826","0.0008","13.0023","0.0008","18.312","0.001","83.087","0.002","75.811","0.002","69.828","0.002","2776.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H83 Cl Ga N4 O Si -","- C58 H83 Cl Ga N4 O Si -","- C116 H166 Cl2 Ga2 N8 O2 Si2 -","2","1","","Kapp, Leon; Wölper, Christoph; Siera, Hannah; Haberhauer, Gebhard; Schulz, Stephan","Catalytic hydroboration of aldehydes and ketones with an electron-rich acyclic metallasilylene.","Chemical science","2024","15","11","4161","4170","10.1039/d3sc06842k","","","1.54178","CuKα","","0.0425","0.0393","","","0.1064","0.1094","","","","","","1.054","","","","has coordinates,has disorder","290859","2024-04-04","22:52:00",""
"1570977","12.6656","0.0007","13.0233","0.0007","18.9626","0.0011","101.433","0.003","102.306","0.003","111.151","0.002","2717.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H88 Cl Ga N4 O Si -","- C55 H88 Cl Ga N4 O Si -","- C110 H176 Cl2 Ga2 N8 O2 Si2 -","2","1","","Kapp, Leon; Wölper, Christoph; Siera, Hannah; Haberhauer, Gebhard; Schulz, Stephan","Catalytic hydroboration of aldehydes and ketones with an electron-rich acyclic metallasilylene.","Chemical science","2024","15","11","4161","4170","10.1039/d3sc06842k","","","0.71073","MoKα","","0.0481","0.0329","","","0.0803","0.088","","","","","","1.043","","","","has coordinates,has disorder","290859","2024-04-04","22:52:01",""
"1570978","15.4196","0.001","7.0728","0.0005","44.912","0.002","90","","93.069","0.005","90","","4891.1","0.5","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C31 H23 Br N2 O -","- C31 H23 Br N2 O -","- C248 H184 Br8 N16 O8 -","8","1","","Zhong, Weiren; Zhang, Jianyu; Lin, Yuting; Li, Shouji; Yang, Yalan; Wang, Wen-Jin; Si, Chuanling; Kühn, Fritz E; Zhao, Zheng; Cai, Xu-Min; Tang, Ben Zhong","Multi-site isomerization of synergistically regulated stimuli-responsive AIE materials toward multi-level decryption.","Chemical science","2024","15","11","3920","3927","10.1039/d3sc06191d","","x-ray","1.54184","CuKα","","0.1187","0.078","","","0.1931","0.2582","","","","","","1.065","","","","has coordinates","290854","2024-04-04","22:50:34",""
"1570979","19.02","0.03","13.3","0.018","9.799","0.014","90","","100.93","0.03","90","","2434","6","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 Br N2 O -","- C31 H23 Br N2 O -","- C124 H92 Br4 N8 O4 -","4","1","","Zhong, Weiren; Zhang, Jianyu; Lin, Yuting; Li, Shouji; Yang, Yalan; Wang, Wen-Jin; Si, Chuanling; Kühn, Fritz E; Zhao, Zheng; Cai, Xu-Min; Tang, Ben Zhong","Multi-site isomerization of synergistically regulated stimuli-responsive AIE materials toward multi-level decryption.","Chemical science","2024","15","11","3920","3927","10.1039/d3sc06191d","","","0.71073","MoKα","","0.2126","0.0952","","","0.1768","0.2291","","","","","","1.065","","","","has coordinates","290854","2024-04-04","22:50:35",""
"1570980","37.877","0.004","19.7175","0.0019","16.623","0.002","90","","102.157","0.011","90","","12136","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C130 H68 B2 F48 N10 Pt4 -","- C130 H68 B2 F48 N10 Pt4 -","- C520 H272 B8 F192 N40 Pt16 -","4","0.5","","Khistiaeva, Viktoria V.; Buss, Stefan; Eskelinen, Toni; Hirva, Pipsa; Kinnunen, Niko; Friedel, Joshua; Kletsch, Lukas; Klein, Axel; Strassert, Cristian A.; Koshevoy, Igor O.","Cyanido-bridged diplatinum(ii) complexes: ligand and solvent effect on aggregation and luminescence.","Chemical science","2024","15","11","4005","4018","10.1039/d3sc06941a","","","0.71073","MoKα","","0.0897","0.0719","","","0.1455","0.1514","","","","","","1.284","","","","has coordinates,has disorder","290851","2024-04-04","22:50:02",""
"1570981","37.583","0.004","19.55","0.002","16.6042","0.0019","90","","103.385","0.002","90","","11869","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C61 H32 B F24 N7 Pt2 -","- C61 H32 B F24 N7 Pt2 -","- C488 H256 B8 F192 N56 Pt16 -","8","1","","Khistiaeva, Viktoria V.; Buss, Stefan; Eskelinen, Toni; Hirva, Pipsa; Kinnunen, Niko; Friedel, Joshua; Kletsch, Lukas; Klein, Axel; Strassert, Cristian A.; Koshevoy, Igor O.","Cyanido-bridged diplatinum(ii) complexes: ligand and solvent effect on aggregation and luminescence.","Chemical science","2024","15","11","4005","4018","10.1039/d3sc06941a","","","0.71073","MoKα","","0.115","0.0817","","","0.187","0.2085","","","","","","1.045","","","","has coordinates,has disorder","290851","2024-04-04","22:50:03",""
"1570982","10.8326","0.0005","18.8796","0.0009","20.8423","0.0011","63.426","0.002","78.863","0.002","73.683","0.002","3647.4","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H44 B Cl2 F24 N9 Pt2 -","- C74 H44 B Cl2 F24 N9 Pt2 -","- C148 H88 B2 Cl4 F48 N18 Pt4 -","2","1","","Khistiaeva, Viktoria V.; Buss, Stefan; Eskelinen, Toni; Hirva, Pipsa; Kinnunen, Niko; Friedel, Joshua; Kletsch, Lukas; Klein, Axel; Strassert, Cristian A.; Koshevoy, Igor O.","Cyanido-bridged diplatinum(ii) complexes: ligand and solvent effect on aggregation and luminescence.","Chemical science","2024","15","11","4005","4018","10.1039/d3sc06941a","","","0.71073","MoKα","","0.0393","0.026","","","0.0605","0.0662","","","","","","1.007","","","","has coordinates,has disorder","290851","2024-04-04","22:50:03",""
"1570983","19.0654","0.0006","21.3165","0.0007","22.1528","0.0008","61.908","0.001","86.495","0.001","65.219","0.001","7106","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C150 H112 B2 F48 N14 Pt4 -","- C150 H112 B2 F48 N14 Pt4 -","- C300 H224 B4 F96 N28 Pt8 -","2","1","","Khistiaeva, Viktoria V.; Buss, Stefan; Eskelinen, Toni; Hirva, Pipsa; Kinnunen, Niko; Friedel, Joshua; Kletsch, Lukas; Klein, Axel; Strassert, Cristian A.; Koshevoy, Igor O.","Cyanido-bridged diplatinum(ii) complexes: ligand and solvent effect on aggregation and luminescence.","Chemical science","2024","15","11","4005","4018","10.1039/d3sc06941a","","","0.71073","MoKα","","0.0429","0.029","","","0.0638","0.0713","","","","","","1.027","","","","has coordinates,has disorder","290851","2024-04-04","22:50:03",""
"1570984","10.1125","0.0001","18.592","0.0002","36.962","0.0005","90","","89.735","0.001","90","","6949.21","0.14","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C67 H83 Co K O8 P3 S2 -","- C67 H83 Co K O8 P3 S2 -","- C268 H332 Co4 K4 O32 P12 S8 -","4","1","","Intrator, Jeremy A.; Velazquez, David A.; Fan, Sicheng; Mastrobattista, Ellie; Yu, Christine; Marinescu, Smaranda C.","Electrocatalytic CO<sub>2</sub> reduction to formate by a cobalt phosphino-thiolate complex.","Chemical science","2024","15","17","6385","6396","10.1039/d3sc06805f","","x-ray","1.54184","CuKα","","0.0722","0.0618","","","0.1843","0.1954","","","","","","0.867","","","","has coordinates,has disorder","291555","2024-05-05","01:30:05",""
"1570985","15.378","0.0004","9.8097","0.0002","20.2954","0.0005","90","","109.076","0.0018","90","","2893.51","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H66 Cl2 Mn2 N6 O8 -","- C64 H66 Cl2 Mn2 N6 O8 -","- C128 H132 Cl4 Mn4 N12 O16 -","2","0.5","","Cook, Emma N.; Courter, Ian M.; Dickie, Diane A.; Machan, Charles W.","Controlling product selectivity during dioxygen reduction with Mn complexes using pendent proton donor relays and added base.","Chemical science","2024","15","12","4478","4488","10.1039/d3sc02611f","","","1.54178","CuKα","","0.0695","0.0505","","","0.1255","0.1376","","","","","","1.027","","","","has coordinates,has disorder","290870","2024-04-04","22:58:26",""
"1570986","8.2349","0.0002","17.2894","0.0006","8.9716","0.0003","90","","97.378","0.001","90","","1266.77","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H20 F6 N P -","- C8 H20 F6 N P -","- C32 H80 F24 N4 P4 -","4","1","","Cook, Emma N.; Courter, Ian M.; Dickie, Diane A.; Machan, Charles W.","Controlling product selectivity during dioxygen reduction with Mn complexes using pendent proton donor relays and added base.","Chemical science","2024","15","12","4478","4488","10.1039/d3sc02611f","","","0.71073","MoKα","","0.0499","0.0401","","","0.0985","0.1041","","","","","","1.059","","","","has coordinates,has disorder","290870","2024-04-04","22:58:26",""
"1570987","12.5965","0.0001","14.8766","0.0001","19.5176","0.0001","90","","98.321","0.001","90","","3618.96","0.04","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","erbium(III)bis(tris-pyrazolylborato)(3,5-di-tert-butylsemiquinonato)","","- C32 H40 B2 Er N12 O2 -","- C32 H40 B2 Er N12 O2 -","- C128 H160 B8 Er4 N48 O8 -","4","1","","Dunstan, Maja A.; Giansiracusa, Marcus J.; Calvello, Simone; Sorace, Lorenzo; Krause-Heuer, Anwen M; Soncini, Alessandro; Mole, Richard A.; Boskovic, Colette","<i>Ab initio</i>-based determination of lanthanoid-radical exchange as visualised by inelastic neutron scattering.","Chemical science","2024","15","12","4466","4477","10.1039/d3sc04229d","","x-ray","1.54184","CuKα","","0.027","0.0262","","","0.0683","0.0689","","","","","","1.069","","","","has coordinates","290871","2024-04-04","22:58:37",""
"1570988","9.3365","0.0001","9.3365","0.0001","31.9312","0.0007","90","","90","","90","","2783.45","0.07","100","0.3","100","0.3","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","yttrium(III)bis(tris-pyrazolylborato)(tropolonato)","","- C25 H25 B2 N12 O2 Y -","- C25 H25 B2 N12 O2 Y -","- C100 H100 B8 N48 O8 Y4 -","4","0.5","","Dunstan, Maja A.; Giansiracusa, Marcus J.; Calvello, Simone; Sorace, Lorenzo; Krause-Heuer, Anwen M; Soncini, Alessandro; Mole, Richard A.; Boskovic, Colette","<i>Ab initio</i>-based determination of lanthanoid-radical exchange as visualised by inelastic neutron scattering.","Chemical science","2024","15","12","4466","4477","10.1039/d3sc04229d","","x-ray","1.54184","CuKα","","0.0324","0.0301","","","0.0737","0.0747","","","","","","1.066","","","","has coordinates","290871","2024-04-04","22:58:37",""
"1570989","9.3261","0.0001","9.3261","0.0001","31.8683","0.0005","90","","90","","90","","2771.78","0.06","100","0.1","100","0.1","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","erbium(III)bis(tris-pyrazolylborato)(tropolonato)","","- C25 H25 B2 Er N12 O2 -","- C25 H25 B2 Er N12 O2 -","- C100 H100 B8 Er4 N48 O8 -","4","0.5","","Dunstan, Maja A.; Giansiracusa, Marcus J.; Calvello, Simone; Sorace, Lorenzo; Krause-Heuer, Anwen M; Soncini, Alessandro; Mole, Richard A.; Boskovic, Colette","<i>Ab initio</i>-based determination of lanthanoid-radical exchange as visualised by inelastic neutron scattering.","Chemical science","2024","15","12","4466","4477","10.1039/d3sc04229d","","x-ray","1.54184","CuKα","","0.0289","0.0277","","","0.0694","0.0702","","","","","","1.071","","","","has coordinates","290871","2024-04-04","22:58:37",""
"1570990","9.3339","0.0001","9.3339","0.0001","31.9618","0.0006","90","","90","","90","","2784.57","0.07","100","0.1","100","0.1","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","erbium(III)@yttrium(III)bis(tris-pyrazolylborato)(tropolonato)","","- C25 H25 B2 Er0.04 N12 O2 Y0.96 -","- C25 H25 B2 Er0.041 N12 O2 Y0.959 -","- C100 H100 B8 Er0.164 N48 O8 Y3.836 -","4","0.5","","Dunstan, Maja A.; Giansiracusa, Marcus J.; Calvello, Simone; Sorace, Lorenzo; Krause-Heuer, Anwen M; Soncini, Alessandro; Mole, Richard A.; Boskovic, Colette","<i>Ab initio</i>-based determination of lanthanoid-radical exchange as visualised by inelastic neutron scattering.","Chemical science","2024","15","12","4466","4477","10.1039/d3sc04229d","","x-ray","1.54184","CuKα","","0.0271","0.0258","","","0.0666","0.0672","","","","","","1.078","","","","has coordinates,has disorder","290871","2024-04-04","22:58:37",""
"1570991","26.5624","0.0009","26.5624","0.0009","14.7302","0.0007","90","","90","","90","","10393.1","0.7","100","2","100","","","","","","","","","6","I -4","I -4","82","","","","- C208 H216 B4 Fe4 N28 O12 -","- C208 H216 B4 Fe4 N28 O12 -","- C416 H432 B8 Fe8 N56 O24 -","2","0.25","","Santra, Aakash; Das, Avijit; Kaur, Simarjeet; Jain, Priya; Ingole, Pravin P.; Paria, Sayantan","Catalytic reduction of oxygen to water by non-heme iron complexes: exploring the effect of the secondary coordination sphere proton exchanging site.","Chemical science","2024","15","11","4095","4105","10.1039/d3sc06753j","","","0.71073","MoKα","","0.0316","0.0299","","","0.0763","0.0773","","","","","","1.039","","","","has coordinates","290860","2024-04-04","22:53:03",""
"1570992","8.1243","0.0003","13.335","0.0004","17.7851","0.0005","102.08","0.001","90.3","0.001","96.561","0.001","1870.95","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C3.33 H3.89 Cl0.22 Fe0.11 N O1.11 -","- C3.33333 H3.88889 Cl0.222222 Fe0.111111 N O1.11111 -","- C60 H70 Cl4 Fe2 N18 O20 -","18","9","","Santra, Aakash; Das, Avijit; Kaur, Simarjeet; Jain, Priya; Ingole, Pravin P.; Paria, Sayantan","Catalytic reduction of oxygen to water by non-heme iron complexes: exploring the effect of the secondary coordination sphere proton exchanging site.","Chemical science","2024","15","11","4095","4105","10.1039/d3sc06753j","","","0.71073","MoKα","","0.0604","0.059","","","0.1568","0.1581","","","","","","1.05","","","","has coordinates","290860","2024-04-04","22:53:04",""
"1570993","18.5453","0.0011","15.6403","0.0008","21.1386","0.0011","90","","109.232","0.002","90","","5789.2","0.5","116","2","116","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4.327869 H4.327869 B0.131148 Fe0.065574 N0.52459 O0.196721 -","- C4.06557 H3.67213 B0.131148 Fe0.0655738 N0.52459 O0.131148 -","- C248 H224 B8 Fe4 N32 O8 -","61","15.25","","Santra, Aakash; Das, Avijit; Kaur, Simarjeet; Jain, Priya; Ingole, Pravin P.; Paria, Sayantan","Catalytic reduction of oxygen to water by non-heme iron complexes: exploring the effect of the secondary coordination sphere proton exchanging site.","Chemical science","2024","15","11","4095","4105","10.1039/d3sc06753j","","","0.71073","MoKα","","0.0734","0.0524","","","0.1271","0.1419","","","","","","1.0575","","","","has coordinates","290860","2024-04-04","22:53:04",""
"1570994","9.6506","0.0003","13.0241","0.0004","13.9603","0.0004","86.216","0.002","86.692","0.002","77.039","0.002","1704.58","0.09","173","0.1","173","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C28 H23 Br2 F4 Mn N4 O7 S -","- C28 H23 Br2 F4 Mn N4 O7 S -","- C56 H46 Br4 F8 Mn2 N8 O14 S2 -","2","1","","Scaccaglia, Mirco; Birbaumer, Michael P.; Pinelli, Silvana; Pelosi, Giorgio; Frei, Angelo","Discovery of antibacterial manganese(i) tricarbonyl complexes through combinatorial chemistry.","Chemical science","2024","15","11","3907","3919","10.1039/d3sc05326a","","x-ray","0.71073","MoKα","","0.0583","0.0472","","","0.1324","0.139","","","","","","1.0344","","","","has coordinates","290858","2024-04-04","22:51:50",""
"1570995","20.9009","0.0007","15.2585","0.0003","13.0302","0.0004","90","","123.873","0.005","90","","3450.2","0.3","200","0.1","200","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C33 H30 F3 Mn N4 O10 S -","- C33 H30 F3 Mn N4 O10 S -","- C132 H120 F12 Mn4 N16 O40 S4 -","4","1","","Scaccaglia, Mirco; Birbaumer, Michael P.; Pinelli, Silvana; Pelosi, Giorgio; Frei, Angelo","Discovery of antibacterial manganese(i) tricarbonyl complexes through combinatorial chemistry.","Chemical science","2024","15","11","3907","3919","10.1039/d3sc05326a","","x-ray","1.54184","CuKα","","0.0305","0.029","","","0.0692","0.0703","","","","","","1.005","","","","has coordinates","290858","2024-04-04","22:51:51",""
"1570996","19.4782","0.0009","20.4781","0.0008","16.3369","0.0007","90","","90.749","0.002","90","","6515.8","0.5","200","","200","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H31 F3 Mn N5 O6.25 S -","- C29 H31 F3 Mn N5 O6.25 S -","- C232 H248 F24 Mn8 N40 O50 S8 -","8","1","","Scaccaglia, Mirco; Birbaumer, Michael P.; Pinelli, Silvana; Pelosi, Giorgio; Frei, Angelo","Discovery of antibacterial manganese(i) tricarbonyl complexes through combinatorial chemistry.","Chemical science","2024","15","11","3907","3919","10.1039/d3sc05326a","","","0.71073","MoKα","","0.0484","0.0424","","","0.113","0.118","","","","","","1.033","","","","has coordinates","290858","2024-04-04","22:51:51",""
"1570997","27.8745","0.0009","83.475","0.003","7.5368","0.0002","90","","90","","90","","17536.8","1","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","","1-Ethyl-3,3-dimethylspiro[indoline-2,8'-phenaleno[1,9-<i>fg</i>]chromene]","","- C30 H25 N O -","- C30 H25 N O -","- C960 H800 N32 O32 -","32","2","HB4461","Zhu., Xiaoming; Jiang, Zhen; Liu, Zhiqiang","1-Ethyl-3,3-dimethylspiro[indoline-2,8′-phenaleno[1,9-fg]chromene]","IUCrData","2024","9","2","","","10.1107/S2414314624001378","","","1.54178","CuKα","","0.0382","0.0319","","","0.0836","0.0875","","","","","","1.047","","","","has coordinates","289816","2024-02-14","03:14:24",""
"1570998","9.30794","0.00007","9.15665","0.00007","9.15459","0.00009","88.9517","0.0007","102.148","0.0007","93.1108","0.0007","761.626","0.011","293","","293","","","","","","","","","7","P -1","-P 1","2","","","?Structure?","- C4 H7 Al3 F N2 O12 P3 -","- C4 H7 Al3 F N2 O12 P3 -","- C8 H14 Al6 F2 N4 O24 P6 -","2","1","","Dawson, Daniel M.; Clayton, Jasmine A.; Marshall, Thomas H. D.; Guillou, Nathalie; Walton, Richard I.; Ashbrook, Sharon E.","Site-directed cation ordering in chabazite-type Al<sub><i>x</i></sub>Ga<sub>1-<i>x</i></sub>PO<sub>4</sub>-34 frameworks revealed by NMR crystallography.","Chemical science","2024","15","12","4374","4385","10.1039/d3sc06924a","powder diffraction","","0.826855","X-raysynchrotron","","","","","","","","","0.046","5.66","","","","","","","has coordinates","290868","2024-04-04","22:57:58",""
"1570999","31.026","0.004","6.7327","0.0004","19.7204","0.0019","90","","124.143","0.007","90","","3409.4","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(E)-1-(2,6-di(pyrrolidin-1-yl)phenyl)-N-(1-methyl-1H-pyrazol-4-yl)methanimine","","- C19 H25 N5 -","- C19 H25 N5 -","- C152 H200 N40 -","8","1","","Wu, Jiarong; Kreimendahl, Lasse; Tao, Suyuan; Anhalt, Olga; Greenfield, Jake L.","Photoswitchable imines: aryliminopyrazoles quantitatively convert to long-lived <i>Z</i>-isomers with visible light.","Chemical science","2024","15","11","3872","3878","10.1039/d3sc05841g","","","1.54178","CuKα","","0.0487","0.0421","","","0.1045","0.11","","","","","","1.047","","","","has coordinates,has disorder","290855","2024-04-04","22:50:42",""
"1571000","15.1269","0.0003","10.50172","0.00017","16.1559","0.0003","90","","101.425","0.0019","90","","2515.65","0.08","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 Fe N9 O4 Pt -","- C23 H23 Fe N9 O4 Pt -","- C92 H92 Fe4 N36 O16 Pt4 -","4","1","","Shi, Huayun; Ponte, Fortuna; Grewal, Jaspreet S.; Clarkson, Guy J.; Imberti, Cinzia; Hands-Portman, Ian; Dallmann, Robert; Sicilia, Emilia; Sadler, Peter J.","Tuning the photoactivated anticancer activity of Pt(iv) compounds <i>via</i> distant ferrocene conjugation.","Chemical science","2024","15","11","4121","4134","10.1039/d3sc03092j","","x-ray","0.71073","MoKα","","0.032","0.0251","","","0.0461","0.0487","","","","","","1.047","","","","has coordinates","290857","2024-04-04","22:51:01",""
"1571001","23.719","0.003","5.8937","0.0007","26.041","0.003","90","","117.009","0.003","90","","3243.3","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H33 N3 O3 -","- C42 H33 N3 O3 -","- C168 H132 N12 O12 -","4","1","","Paul, Priya; Saha, Subhajit; Biradha, Kumar","Differentiating aliphatic and aromatic alcohols using triazine-based supramolecular organogelators: end group-specific selective gelation with chain length of alcohols.","Soft matter","2024","20","11","2568","2574","10.1039/d4sm00017j","","","0.71073","MoKα","","0.1244","0.056","","","0.1226","0.1525","","","","","","1.013","","","","has coordinates","291072","2024-04-05","00:19:02",""
"1571002","5.9131","0.0005","7.8478","0.0006","16.8158","0.0015","90","","90.007","0.006","90","","780.33","0.11","293","","293","","","","","","","","'from Grosses Chalttal, Glarus, Switzerland'","5","P 1 21/n 1","-P 2yn","14","","","","- As Cu2 H7 O9 Pb -","- As Cu2 H7 O9 Pb -","- As4 Cu8 H28 O36 Pb4 -","4","1","","Malcherek, Thomas; Mihailova, Boriana; Schlüter, Jochen; Roth, Philippe; Meisser, Nicolas","Heimite, PbCu2(AsO4)(OH)3 ⋅ 2H2O, a new mineral from the Grosses Chalttal deposit, Switzerland","European Journal of Mineralogy","2024","36","1","153","164","10.5194/ejm-36-153-2024","","x-ray","0.71069","MoKα","","0.0359","0.0275","","","0.0736","0.0784","","","","1.16","1.16","1.11","","","","has coordinates","295836","2024-11-08","15:59:21",""
"1571003","11.04","0.002","14.175","0.003","21.29","0.005","106.479","0.004","93.058","0.004","106.77","0.004","3025.6","1.1","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H94.96 Fe2 N6 Na2 O3 Si3 -","- C54 H94.962 Fe2 N6 Na2 O3 Si3 -","- C108 H189.924 Fe4 N12 Na4 O6 Si6 -","2","1","","Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.","Chemical science","2024","15","21","8242","8248","10.1039/d3sc03606e","","","0.71073","MoKα","","0.0617","0.0396","","","0.0847","0.0926","","","","","","1.015","","","","has coordinates,has disorder","292936","2024-07-05","15:10:39",""
"1571004","10.6298","0.0008","11.1655","0.0009","23.6682","0.0018","98.248","0.002","101.941","0.002","101.506","0.002","2642.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H78 Fe2 N7 Si3 Zn -","- C50 H78 Fe2 N7 Si3 Zn -","- C100 H156 Fe4 N14 Si6 Zn2 -","2","1","","Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.","Chemical science","2024","15","21","8242","8248","10.1039/d3sc03606e","","","0.40651","synchrotron","","0.0512","0.0441","","","0.1067","0.1106","","","","","","1.094","","","","has coordinates","292936","2024-07-05","15:10:41",""
"1571005","15.1571","0.0007","21.489","0.0011","16.3741","0.0008","90","","93.577","0.001","90","","5322.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H69 F6 Fe3 N7 Si3 -","- C50 H69 F6 Fe3 N7 Si3 -","- C200 H276 F24 Fe12 N28 Si12 -","4","1","","Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.","Chemical science","2024","15","21","8242","8248","10.1039/d3sc03606e","","","0.71073","MoKα","","0.1085","0.0664","","","0.1648","0.1941","","","","","","1.019","","","","has coordinates,has disorder","292936","2024-07-05","15:10:41",""
"1571006","10.4451","0.0012","27.261","0.003","21.186","0.003","90","","102.166","0.004","90","","5897.1","1.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H88.5 Fe3 N7 O1.75 Si3 -","- C54 H88.5 Fe3 N7 O1.75 Si3 -","- C216 H354 Fe12 N28 O7 Si12 -","4","1","","Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.","Chemical science","2024","15","21","8242","8248","10.1039/d3sc03606e","","","0.41328","synchrotron","","0.0636","0.0421","","","0.0978","0.1073","","","","","","1.042","","","","has coordinates,has disorder","292936","2024-07-05","15:10:41",""
"1571007","12.4239","0.001","14.2358","0.0012","19.0442","0.0016","109.643","0.0017","95.5642","0.0018","102.049","0.0018","3050.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H76 Fe2 N8 Si3 Zn -","- C53 H76 Fe1.943 N8 Si3 Zn0.9702 -","- C106 H152 Fe3.886 N16 Si6 Zn1.9404 -","2","1","","Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.","Chemical science","2024","15","21","8242","8248","10.1039/d3sc03606e","","","0.40651","synchrotron","","0.0497","0.0368","","","0.0898","0.0967","","","","","","1.019","","","","has coordinates,has disorder","292936","2024-07-05","15:10:41",""
"1571008","12.3372","0.0006","14.5673","0.0007","19.6915","0.001","76.058","0.001","73.437","0.001","79.142","0.001","3264.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H74 F5.93 Fe2 N8 Si3 Zn -","- C55 H74 F6.006 Fe2 N8 Si3 Zn -","- C110 H148 F12.012 Fe4 N16 Si6 Zn2 -","2","1","","Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.","Chemical science","2024","15","21","8242","8248","10.1039/d3sc03606e","","","0.71073","MoKα","","0.0456","0.0325","","","0.0713","0.0764","","","","","","1.031","","","","has coordinates,has disorder","292936","2024-07-05","15:10:41",""
"1571009","27.053","0.004","19.227","0.003","27.643","0.004","90","","90","","90","","14378","4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C58 H102 Cl Fe2 N7 Si3 Zn -","- C58 H102 Cl Fe2.0001 N7 Si3 Zn0.9999 -","- C464 H816 Cl8 Fe16.0008 N56 Si24 Zn7.9992 -","8","1","","Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.","Chemical science","2024","15","21","8242","8248","10.1039/d3sc03606e","","","0.71073","MoKα","","0.0954","0.0563","","","0.1149","0.1307","","","","","","1.021","","","","has coordinates,has disorder","292936","2024-07-05","15:10:41",""
"1571010","11.9733","0.0005","26.257","0.0009","26.2043","0.001","90","","100.148","0.001","90","","8109.3","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C73.76 H108 Co F6 Fe3 N7 O Si3 -","- C73.734 H108 Co F6 Fe3 N7 O Si3 -","- C294.936 H432 Co4 F24 Fe12 N28 O4 Si12 -","4","1","","Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.","Chemical science","2024","15","21","8242","8248","10.1039/d3sc03606e","","","0.71073","MoKα","","0.151","0.0695","","","0.149","0.179","","","","","","1.023","","","","has coordinates,has disorder","292936","2024-07-05","15:10:41",""
"1571011","22.15","0.004","20.383","0.003","26.428","0.004","90","","101.975","0.003","90","","11672","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H71 Fe2 N7 Si3 Zn -","- C48 H71 Fe2.0001 N7 Si3 Zn0.9999 -","- C384 H568 Fe16.0008 N56 Si24 Zn7.9992 -","8","1","","Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.","Chemical science","2024","15","21","8242","8248","10.1039/d3sc03606e","","","0.71073","MoKα","","0.0958","0.0683","","","0.1359","0.1453","","","","","","1.126","","","","has coordinates,has disorder","292936","2024-07-05","15:10:41",""
"1571012","10.3835","0.0018","18.015","0.002","30.663","0.007","90","","91.703","0.006","90","","5733.2","1.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H88 Fe2 N6 O Si3 Zn -","- C52 H88 Fe2 N6 O Si3 Zn -","- C208 H352 Fe8 N24 O4 Si12 Zn4 -","4","1","","Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.","Chemical science","2024","15","21","8242","8248","10.1039/d3sc03606e","","","0.40659","synchrotron","","0.1148","0.0593","","","0.1276","0.148","","","","","","1.015","","","","has coordinates","292936","2024-07-05","15:10:41",""
"1571013","27.1744","0.0009","19.1482","0.0007","27.5979","0.001","90","","90","","90","","14360.3","0.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C58 H102 Cl N7 Si3 Zn3 -","- C58 H102 Cl N7 Si3 Zn3 -","- C464 H816 Cl8 N56 Si24 Zn24 -","8","1","","Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.","Chemical science","2024","15","21","8242","8248","10.1039/d3sc03606e","","","0.71073","MoKα","","0.0528","0.0332","","","0.0721","0.0791","","","","","","1.028","","","","has coordinates,has disorder","292936","2024-07-05","15:10:41",""
"1571014","26.839","0.003","19.358","0.002","27.601","0.004","90","","90","","90","","14340","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C57 H100 Cl Fe3 N7 Si3 -","- C57 H100 Cl Fe3 N7 Si3 -","- C456 H800 Cl8 Fe24 N56 Si24 -","8","1","","Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.","Chemical science","2024","15","21","8242","8248","10.1039/d3sc03606e","","","0.71073","MoKα","","0.0574","0.0426","","","0.1161","0.1258","","","","","","1.04","","","","has coordinates,has disorder","292936","2024-07-05","15:10:41",""
"1571015","15.4746","0.0007","23.8238","0.0011","27.1431","0.0013","78.401","0.001","74.315","0.001","83.137","0.001","9414.8","0.8","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C78.5 H131.25 F6 Fe2.1 K N9 O8.62 Si3 Zn0.9 -","- C78.5 H131.25 F6 Fe2.073 K N9 O8.625 Si3 Zn0.927 -","- C314 H525 F24 Fe8.292 K4 N36 O34.5 Si12 Zn3.708 -","4","2","","Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.","Chemical science","2024","15","21","8242","8248","10.1039/d3sc03606e","","","0.41328","synchrotron","","0.0838","0.0548","","","0.1373","0.1538","","","","","","1.026","","","","has coordinates,has disorder","292936","2024-07-05","15:10:41",""
"1571016","9.2895","0.0006","9.5681","0.0006","12.3723","0.0007","93.065","0.003","108.756","0.003","118.62","0.003","885.12","0.1","100","2","99.8","","","","","","","","","4","P 1","P 1","1","","","","- C20 H54 O2 Si8 -","- C20 H54 O2 Si8 -","- C20 H54 O2 Si8 -","1","1","","Glotz, Gabriel; Drusgala, Manfred; Hamm, Florian; Fischer, Roland C.; Došlić, Nađa; Kelterer, Anne-Marie; Gescheidt, Georg; Haas, Michael","Wavelength-dependent rearrangements of an α-dione chromophore: a chemical pearl in a bis(hypersilyl) oyster.","Chemical science","2024","15","12","4427","4433","10.1039/d4sc00064a","","","0.71073","MoKα","","0.0803","0.0592","","","0.1456","0.1631","","","","","","1.029","","","","has coordinates,has disorder","290862","2024-04-04","22:53:20",""
"1571017","9.377","0.005","9.613","0.007","11.879","0.007","70.53","0.02","71.722","0.015","61.483","0.015","871.5","1","100","2","99.68","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H27 O Si4 -","- C10 H27 O Si4 -","- C20 H54 O2 Si8 -","2","1","","Glotz, Gabriel; Drusgala, Manfred; Hamm, Florian; Fischer, Roland C.; Došlić, Nađa; Kelterer, Anne-Marie; Gescheidt, Georg; Haas, Michael","Wavelength-dependent rearrangements of an α-dione chromophore: a chemical pearl in a bis(hypersilyl) oyster.","Chemical science","2024","15","12","4427","4433","10.1039/d4sc00064a","","","0.71073","MoKα","","0.1075","0.0727","","","0.1988","0.2205","","","","","","1.052","","","","has coordinates","290862","2024-04-04","22:53:21",""
"1571018","12.18","0.002","20.741","0.003","16.353","0.003","90","","110.644","0.003","90","","3865.9","1.1","296.15","","296.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H40 Cl4 P2 Zn -","- C40 H40 Cl4 P2 Zn -","- C160 H160 Cl16 P8 Zn4 -","4","1","","Yu, Shuiyue; Peng, Hui; Wei, Qilin; Li, Tongzhou; Huang, Weiguo; He, Xuefei; Du, Zhentao; Zhao, Jialong; Zou, Bingsuo","Realizing efficient broadband near-infrared emission and multimode photoluminescence switching <i>via</i> coordination structure modulation in Sb<sup>3+</sup>-doped 0D organic metal chlorides.","Materials horizons","2024","11","9","2230","2241","10.1039/d3mh01962d","","","0.71073","MoKα","","0.0662","0.0426","","","0.078","0.0874","","","","","","0.966","","","","has coordinates","293299","2024-07-05","18:12:59",""
"1571019","12.2339","0.0014","21.044","0.002","16.5713","0.0019","90","","112.272","0.002","90","","3948","0.7","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H40 Cd Cl4 P2 -","- C40 H40 Cd Cl4 P2 -","- C160 H160 Cd4 Cl16 P8 -","4","1","","Yu, Shuiyue; Peng, Hui; Wei, Qilin; Li, Tongzhou; Huang, Weiguo; He, Xuefei; Du, Zhentao; Zhao, Jialong; Zou, Bingsuo","Realizing efficient broadband near-infrared emission and multimode photoluminescence switching <i>via</i> coordination structure modulation in Sb<sup>3+</sup>-doped 0D organic metal chlorides.","Materials horizons","2024","11","9","2230","2241","10.1039/d3mh01962d","","","0.71073","MoKα","","0.0377","0.0313","","","0.0741","0.0771","","","","","","1.059","","","","has coordinates","293299","2024-07-05","18:12:59",""
"1571020","11.5184","0.0006","14.6526","0.0007","16.148","0.0009","97.73","0.003","108.931","0.002","98.573","0.003","2500","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C94 H170 B6 O16 -","- C94 H170 B6 O16 -","- C94 H170 B6 O16 -","1","0.5","","Durin, Gabriel; Romero, R. Martin; Godou, Timothé; Chauvier, Clément; Thuéry, Pierre; Nicolas, Emmanuel; Cantat, Thibault","Formoxyboranes as hydroborane surrogates for the catalytic reduction of carbonyls through transfer hydroboration","Catalysis Science & Technology","2024","14","7","1848","1853","10.1039/D3CY01702H","","","0.71073","MoKα","","0.0833","0.0643","","","0.1854","0.2003","","","","","","1.066","","","","has coordinates","290795","2024-04-04","22:21:21",""
"1571021","10.767","0.0002","12.8036","0.0005","18.9389","0.0008","90","","90","","90","","2610.85","0.16","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H20 B N O2 -","- C14 H20 B N O2 -","- C112 H160 B8 N8 O16 -","8","1","","Durin, Gabriel; Romero, R. Martin; Godou, Timothé; Chauvier, Clément; Thuéry, Pierre; Nicolas, Emmanuel; Cantat, Thibault","Formoxyboranes as hydroborane surrogates for the catalytic reduction of carbonyls through transfer hydroboration","Catalysis Science & Technology","2024","14","7","1848","1853","10.1039/D3CY01702H","","","0.71073","MoKα","","0.0466","0.0392","","","0.0962","0.1011","","","","","","1.045","","","","has coordinates","290795","2024-04-04","22:21:22",""
"1571022","9.8725","0.0005","7.3758","0.0004","21.882","0.0012","90","","98.551","0.003","90","","1575.68","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H25 B N2 O2 -","- C16 H25 B N2 O2 -","- C64 H100 B4 N8 O8 -","4","1","","Durin, Gabriel; Romero, R. Martin; Godou, Timothé; Chauvier, Clément; Thuéry, Pierre; Nicolas, Emmanuel; Cantat, Thibault","Formoxyboranes as hydroborane surrogates for the catalytic reduction of carbonyls through transfer hydroboration","Catalysis Science & Technology","2024","14","7","1848","1853","10.1039/D3CY01702H","","","0.71073","MoKα","","0.0446","0.0367","","","0.0971","0.1012","","","","","","1.065","","","","has coordinates","290795","2024-04-04","22:21:22",""
"1571023","12.5923","0.0008","10.8437","0.0006","14.9151","0.0008","90","","90.37","0.005","90","","2036.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H33 B N2 O2 -","- C20 H33 B N2 O2 -","- C80 H132 B4 N8 O8 -","4","1","","Durin, Gabriel; Romero, R. Martin; Godou, Timothé; Chauvier, Clément; Thuéry, Pierre; Nicolas, Emmanuel; Cantat, Thibault","Formoxyboranes as hydroborane surrogates for the catalytic reduction of carbonyls through transfer hydroboration","Catalysis Science & Technology","2024","14","7","1848","1853","10.1039/D3CY01702H","","","0.71073","MoKα","","0.0708","0.0421","","","0.1013","0.1112","","","","","","0.989","","","","has coordinates","290795","2024-04-04","22:21:22",""
"1571024","10.1407","0.0004","28.0242","0.0011","12.2214","0.0005","90","","94.627","0.003","90","","3461.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 B N O2 -","- C18 H28 B N O2 -","- C144 H224 B8 N8 O16 -","8","2","","Durin, Gabriel; Romero, R. Martin; Godou, Timothé; Chauvier, Clément; Thuéry, Pierre; Nicolas, Emmanuel; Cantat, Thibault","Formoxyboranes as hydroborane surrogates for the catalytic reduction of carbonyls through transfer hydroboration","Catalysis Science & Technology","2024","14","7","1848","1853","10.1039/D3CY01702H","","","0.71073","MoKα","","0.0572","0.0396","","","0.0928","0.0993","","","","","","1.049","","","","has coordinates","290795","2024-04-04","22:21:22",""
"1571025","14.0041","0.0015","18.81","0.002","15.8824","0.0016","90","","112.93","0.004","90","","3853.1","0.7","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 B2 Mo N10 -","- C33 H33 B2 Mo N10 -","- C132 H132 B8 Mo4 N40 -","4","1","","Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E.","Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes.","Chemical science","2024","15","14","5152","5162","10.1039/d4sc00090k","","","1.54178","CuKα","","0.0374","0.0281","","","0.0784","0.0856","","","","","","1.05","","","","has coordinates,has disorder","291576","2024-05-05","01:52:55",""
"1571026","9.4559","0.0002","13.3234","0.0002","15.6012","0.0004","105.885","0.001","98.659","0.002","93.937","0.002","1856.39","0.07","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H45.01 B2 Li N9 O1.5 -","- C38 H44.996 B2 Li N9 O1.498 -","- C76 H89.992 B4 Li2 N18 O2.996 -","2","1","","Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E.","Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes.","Chemical science","2024","15","14","5152","5162","10.1039/d4sc00090k","","","1.54178","CuKα","","0.0763","0.0701","","","0.1867","0.1929","","","","","","1.047","","","","has coordinates,has disorder","291576","2024-05-05","01:53:02",""
"1571027","25.3294","0.0009","25.3294","0.0009","25.1795","0.0014","90","","90","","90","","16154.6","1.2","173.15","","173.15","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C173 H162 B8 Mo4 N38 -","- C173 H162 B8 Mo4 N38 -","- C692.002 H648 B32 Mo16 N152 -","4","0.25","","Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E.","Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes.","Chemical science","2024","15","14","5152","5162","10.1039/d4sc00090k","","","1.54178","CuKα","","0.0463","0.0347","","","0.085","0.0935","","","","","","1.084","","","","has coordinates,has disorder","291576","2024-05-05","01:53:03",""
"1571028","8.9517","0.0007","15.7349","0.0013","17.3073","0.0013","70.272","0.004","85.441","0.004","80.569","0.005","2262.9","0.3","173.15","","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C35 H33 B2 F6 Mo N10 O4 S2 -","- C35 H33 B2 F6 Mo N10 O4 S2 -","- C70 H66 B4 F12 Mo2 N20 O8 S4 -","2","1","","Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E.","Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes.","Chemical science","2024","15","14","5152","5162","10.1039/d4sc00090k","","","1.54178","CuKα","","0.0554","0.0493","","","0.1442","0.153","","","","","","1.104","","","","has coordinates,has disorder","291576","2024-05-05","01:53:03",""
"1571029","17.5414","0.0008","23.6171","0.001","20.4202","0.0009","90","","90.386","0.003","90","","8459.4","0.6","173","","173","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C81.5 H78 B4 F6 Mo2 N20 O4 S2 -","- C81.5 H78 B4 F6 Mo2 N20 O4 S2 -","- C326 H312 B16 F24 Mo8 N80 O16 S8 -","4","1","","Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E.","Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes.","Chemical science","2024","15","14","5152","5162","10.1039/d4sc00090k","","","1.54178","CuKα","","0.0992","0.0658","","","0.1663","0.1875","","","","","","1.147","","","","has coordinates,has disorder","291576","2024-05-05","01:53:03",""
"1571030","17.6807","0.0012","18.6634","0.0011","19.4278","0.0011","90.335","0.004","112.023","0.004","100.578","0.004","5822.4","0.6","173","2","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C214.12 H164.64 Al2 B8 F72 Mo4 N39.27 O8 -","- C214.164 H164.654 Al2 B8 F72 Mo4 N39.272 O8 -","- C214.164 H164.654 Al2 B8 F72 Mo4 N39.272 O8 -","1","0.5","","Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E.","Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes.","Chemical science","2024","15","14","5152","5162","10.1039/d4sc00090k","","","1.54178","CuKα","","0.1431","0.1009","","","0.2662","0.317","","","","","","1.063","","","","has coordinates,has disorder","291576","2024-05-05","01:53:03",""
"1571031","15.601","0.003","19.921","0.004","12.437","0.003","90","","110.709","0.003","90","","3615.5","1.3","173","2","173.15","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C35 H37 B2 Cl3.25 Mo N9 -","- C34.5 H37 B2 Cl3.25 Mo N9 -","- C138 H148 B8 Cl13 Mo4 N36 -","4","0.5","","Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E.","Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes.","Chemical science","2024","15","14","5152","5162","10.1039/d4sc00090k","","","0.71073","MoKα","","0.0607","0.0447","","","0.1095","0.1185","","","","","","1.063","","","","has coordinates,has disorder","291576","2024-05-05","01:53:03",""
"1571032","16.5897","0.0011","18.7404","0.0012","24.0681","0.0016","109.516","0.004","91.769","0.004","114.335","0.004","6301.2","0.8","173","2","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C109 H94 Al B4 F36 Mo2 N20 O4 -","- C109 H94 Al B4 F36 Mo2 N20 O4 -","- C218 H188 Al2 B8 F72 Mo4 N40 O8 -","2","1","","Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E.","Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes.","Chemical science","2024","15","14","5152","5162","10.1039/d4sc00090k","","","1.54178","CuKα","","0.1056","0.0761","","","0.2083","0.2359","","","","","","1.022","","","","has coordinates,has disorder","291576","2024-05-05","01:53:04",""
"1571033","16.1437","0.0006","23.4937","0.0008","20.896","0.0007","90","","94.907","0.002","90","","7896.3","0.5","173","2","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H12 Al F36 Fe O5 -","- C28 H12 Al F36 Fe O5 -","- C224 H96 Al8 F288 Fe8 O40 -","8","2","","Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E.","Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes.","Chemical science","2024","15","14","5152","5162","10.1039/d4sc00090k","","","1.54178","CuKα","","0.1112","0.0652","","","0.1611","0.1893","","","","","","1.042","","","","has coordinates,has disorder","291576","2024-05-05","01:53:04",""
"1571034","14.9038","0.0003","17.3373","0.0004","17.7556","0.0004","61.896","0.001","75.415","0.001","80.14","0.002","3909.1","0.15","173","2","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C68 H53 Al B2 F36 Mo N11 O4 -","- C68 H53 Al B2 F36 Mo N11 O4 -","- C136 H106 Al2 B4 F72 Mo2 N22 O8 -","2","1","","Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E.","Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes.","Chemical science","2024","15","14","5152","5162","10.1039/d4sc00090k","","","1.54178","CuKα","","0.0713","0.0676","","","0.189","0.1942","","","","","","1.029","","","","has coordinates,has disorder","291576","2024-05-05","01:53:04",""
"1571035","15.1157","0.0015","25.2386","0.0019","12.3932","0.001","90","","102.171","0.006","90","","4621.7","0.7","173.15","","173.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H36 B2 F6 Mo N11 O4 S2 -","- C35 H36 B2 F6 Mo N11 O4 S2 -","- C140 H144 B8 F24 Mo4 N44 O16 S8 -","4","1","","Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E.","Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes.","Chemical science","2024","15","14","5152","5162","10.1039/d4sc00090k","","","1.54178","CuKα","","0.0868","0.0569","","","0.1524","0.1914","","","","","","1.105","","","","has coordinates,has disorder","291576","2024-05-05","01:53:04",""
"1571036","15.9395","0.0009","18.5574","0.0008","18.9383","0.0009","116.155","0.002","90.495","0.002","98.658","0.002","4953.2","0.4","173.15","","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C84 H66 Al B4 F36 Mo2 N19 O4 -","- C84 H66 Al B4 F36 Mo2 N19 O4 -","- C168 H132 Al2 B8 F72 Mo4 N38 O8 -","2","1","","Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E.","Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes.","Chemical science","2024","15","14","5152","5162","10.1039/d4sc00090k","","","1.54178","CuKα","","0.0658","0.0554","","","0.1453","0.1559","","","","","","1.029","","","","has coordinates,has disorder","291576","2024-05-05","01:53:04",""
"1571037","14.8333","0.001","17.305","0.0012","33.81","0.003","99.265","0.005","99.28","0.005","100.583","0.005","8255.3","1.1","173.15","","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C271 H246 Al4 B8 F144 Mo4 N44 O16 -","- C271 H246 Al4 B8 F144 Mo4 N44 O16 -","- C271 H246 Al4 B8 F144 Mo4 N44 O16 -","1","0.5","","Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E.","Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes.","Chemical science","2024","15","14","5152","5162","10.1039/d4sc00090k","","","1.54178","CuKα","","0.159","0.1193","","","0.2886","0.3241","","","","","","1.061","","","","has coordinates,has disorder","291576","2024-05-05","01:53:04",""
"1571038","8.3549","0.0007","9.3366","0.0008","12.3971","0.0007","69.409","0.007","75.524","0.006","65.217","0.008","815.89","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis[μ-bis(pyridin-2-yl)methanone oxime-κ^3^<i>N</i>:<i>N</i>',<i>N</i>'']bis[diacetato-κ^2^<i>O</i>,<i>O</i>';κ<i>O</i>-zinc(II)]","","- C30 H30 N6 O10 Zn2 -","- C30 H30 N6 O10 Zn2 -","- C30 H30 N6 O10 Zn2 -","1","0.5","ZL4065","Crundwell, Guy; Crundwell, Nigel E.; Westcott, Barry L.","Bis[μ-bis(pyridin-2-yl)methanone oxime-κ3 N:,N′,N′′]bis[diacetato-κ2 O,O′;κO-zinc(II)]","IUCrData","2024","9","2","","","10.1107/S2414314624001226","","x-ray","0.71073","MoKα","","0.0552","0.039","","","0.0896","0.0979","","","","","","1.028","","","","has coordinates","289863","2024-02-17","03:17:14",""
"1571039","18.3338","0.0005","25.9671","0.0007","37.9645","0.0008","90","","90","","90","","18074","0.8","99.99","0.1","99.99","0.1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C122 H94 O24 -","- C122 H94 O24 -","- C488 H376 O96 -","4","0.5","","Xi, Xiao-Juan; Li, Yang; Lang, Feifan; Pang, Jiandong; Bu, Xian-He","Reticular synthesis of 8-connected carboxyl hydrogen-bonded organic frameworks for white-light-emission.","Chemical science","2024","15","12","4529","4537","10.1039/d3sc06410g","","x-ray","1.54184","CuKα","","0.1348","0.1155","","","0.3421","0.3628","","","","","","1.382","","","","has coordinates,has disorder","290867","2024-04-04","22:57:51",""
"1571040","18.3974","0.0003","26.3784","0.0003","37.7312","0.0004","90","","90","","90","","18310.7","0.4","99.98","0.1","99.98","0.1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C116 H82 O24 -","- C116 H82 O24 -","- C464 H328 O96 -","4","0.5","","Xi, Xiao-Juan; Li, Yang; Lang, Feifan; Pang, Jiandong; Bu, Xian-He","Reticular synthesis of 8-connected carboxyl hydrogen-bonded organic frameworks for white-light-emission.","Chemical science","2024","15","12","4529","4537","10.1039/d3sc06410g","","x-ray","1.54184","CuKα","","0.1221","0.1085","","","0.323","0.341","","","","","","1.361","","","","has coordinates,has disorder","290867","2024-04-04","22:57:51",""
"1571041","8.6659","0.0005","11.1071","0.0006","14.7913","0.0008","76.376","0.005","86.941","0.004","72.404","0.005","1318.66","0.13","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H54 N Si2 -","- C24 H54 N Si2 -","- C48 H108 N2 Si4 -","2","1","","Knüpfer, Christian; Klerner, Lukas; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","s-Block metal complexes of superbulky (<sup><i>t</i></sup>Bu<sub>3</sub>Si)<sub>2</sub>N<sup>-</sup>: a new weakly coordinating anion?","Chemical science","2024","15","12","4386","4395","10.1039/d3sc06896j","","x-ray","1.54184","CuKα","","0.036","0.0321","","","0.0858","0.0894","","","","","","1.048","","","","has coordinates,has disorder","290874","2024-04-04","23:00:38",""
"1571042","10.782","0.0002","15.4196","0.0003","23.653","0.0004","80.1846","0.0015","78.8889","0.0016","83.583","0.0015","3789.53","0.12","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C44 H94 K N O8 Si2 -","- C44 H94 K N O8 Si2 -","- C132 H282 K3 N3 O24 Si6 -","3","1.5","","Knüpfer, Christian; Klerner, Lukas; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","s-Block metal complexes of superbulky (<sup><i>t</i></sup>Bu<sub>3</sub>Si)<sub>2</sub>N<sup>-</sup>: a new weakly coordinating anion?","Chemical science","2024","15","12","4386","4395","10.1039/d3sc06896j","","x-ray","1.54184","CuKα","","0.0486","0.042","","","0.1123","0.12","","","","","","1.022","","","","has coordinates,has disorder","290874","2024-04-04","23:00:38",""
"1571043","11.47464","0.00007","11.47464","0.00007","21.21699","0.00017","90","","90","","90","","2793.59","0.03","100","0.6","100","0.6","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C24 H54 Cs N Si2 -","- C24 H54 Cs N Si2 -","- C96 H216 Cs4 N4 Si8 -","4","0.5","","Knüpfer, Christian; Klerner, Lukas; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","s-Block metal complexes of superbulky (<sup><i>t</i></sup>Bu<sub>3</sub>Si)<sub>2</sub>N<sup>-</sup>: a new weakly coordinating anion?","Chemical science","2024","15","12","4386","4395","10.1039/d3sc06896j","","x-ray","1.54184","CuKα","","0.0179","0.0176","","","0.0449","0.0451","","","","","","1.049","","","","has coordinates,has disorder","290874","2024-04-04","23:00:38",""
"1571044","9.0304","0.0001","26.9733","0.0003","17.9436","0.0002","90","","96.548","0.001","90","","4342.19","0.08","100","0.6","100","0.6","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H85 Li N4 O Si2 -","- C37 H85 Li N4 O Si2 -","- C148 H340 Li4 N16 O4 Si8 -","4","1","","Knüpfer, Christian; Klerner, Lukas; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","s-Block metal complexes of superbulky (<sup><i>t</i></sup>Bu<sub>3</sub>Si)<sub>2</sub>N<sup>-</sup>: a new weakly coordinating anion?","Chemical science","2024","15","12","4386","4395","10.1039/d3sc06896j","","x-ray","1.54184","CuKα","","0.0414","0.039","","","0.1053","0.1077","","","","","","1.041","","","","has coordinates,has disorder","290874","2024-04-04","23:00:38",""
"1571045","37.2445","0.0004","8.91795","0.00008","16.82946","0.00017","90","","102.894","0.001","90","","5448.87","0.1","100","0.2","100","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H50 Li N Si2 -","- C25 H50 Li N Si2 -","- C200 H400 Li8 N8 Si16 -","8","1","","Knüpfer, Christian; Klerner, Lukas; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","s-Block metal complexes of superbulky (<sup><i>t</i></sup>Bu<sub>3</sub>Si)<sub>2</sub>N<sup>-</sup>: a new weakly coordinating anion?","Chemical science","2024","15","12","4386","4395","10.1039/d3sc06896j","","x-ray","1.54184","CuKα","","0.0304","0.0296","","","0.0764","0.0771","","","","","","1.024","","","","has coordinates","290874","2024-04-04","23:00:38",""
"1571046","10.0842","0.0002","16.5825","0.0003","13.3677","0.0002","90","","104.184","0.002","90","","2167.22","0.07","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H42 Li N Si2 -","- C18 H42 Li N Si2 -","- C72 H168 Li4 N4 Si8 -","4","1","","Knüpfer, Christian; Klerner, Lukas; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","s-Block metal complexes of superbulky (<sup><i>t</i></sup>Bu<sub>3</sub>Si)<sub>2</sub>N<sup>-</sup>: a new weakly coordinating anion?","Chemical science","2024","15","12","4386","4395","10.1039/d3sc06896j","","x-ray","1.54184","CuKα","","0.0365","0.0324","","","0.0831","0.0861","","","","","","1.031","","","","has coordinates","290874","2024-04-04","23:00:38",""
"1571047","20.1783","0.0002","12.98186","0.00013","25.395","0.0003","90","","106.455","0.0012","90","","6379.8","0.12","100","0.6","100","0.6","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H118 I N O8 Si2 Sr -","- C56 H118 I N O8 Si2 Sr -","- C224 H472 I4 N4 O32 Si8 Sr4 -","4","1","","Knüpfer, Christian; Klerner, Lukas; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","s-Block metal complexes of superbulky (<sup><i>t</i></sup>Bu<sub>3</sub>Si)<sub>2</sub>N<sup>-</sup>: a new weakly coordinating anion?","Chemical science","2024","15","12","4386","4395","10.1039/d3sc06896j","","x-ray","1.54184","CuKα","","0.0289","0.0268","","","0.067","0.0687","","","","","","1.057","","","","has coordinates,has disorder","290874","2024-04-04","23:00:38",""
"1571048","16.7968","0.0004","16.8461","0.0003","23.1147","0.0005","90","","106.935","0.002","90","","6256.9","0.2","99.97","0.11","99.97","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H112.49 Mg N3 O2 Si2 -","- C61 H112.49 Mg N3 O2 Si2 -","- C244 H449.96 Mg4 N12 O8 Si8 -","4","1","","Knüpfer, Christian; Klerner, Lukas; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","s-Block metal complexes of superbulky (<sup><i>t</i></sup>Bu<sub>3</sub>Si)<sub>2</sub>N<sup>-</sup>: a new weakly coordinating anion?","Chemical science","2024","15","12","4386","4395","10.1039/d3sc06896j","","x-ray","1.54184","CuKα","","0.063","0.054","","","0.1614","0.1646","","","","","","1.128","","","","has coordinates,has disorder","290874","2024-04-04","23:00:38",""
"1571049","20.1279","0.0003","26.8869","0.0004","17.1171","0.0003","90","","90.741","0.002","90","","9262.6","0.3","100","0.4","100","0.4","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H86 Li N O8 Si2 -","- C40 H86 Li N O8 Si2 -","- C320 H688 Li8 N8 O64 Si16 -","8","1","","Knüpfer, Christian; Klerner, Lukas; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","s-Block metal complexes of superbulky (<sup><i>t</i></sup>Bu<sub>3</sub>Si)<sub>2</sub>N<sup>-</sup>: a new weakly coordinating anion?","Chemical science","2024","15","12","4386","4395","10.1039/d3sc06896j","","x-ray","1.54184","CuKα","","0.062","0.0562","","","0.1518","0.1566","","","","","","1.091","","","","has coordinates,has disorder","290874","2024-04-04","23:00:38",""
"1571050","14.353","0.0004","17.6841","0.0007","8.9669","0.0003","90","","90","","90","","2275.98","0.13","100","0.6","100","0.6","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18 H42 Cs N Si2 -","- C18 H42 Cs N Si2 -","- C72 H168 Cs4 N4 Si8 -","4","0.5","","Knüpfer, Christian; Klerner, Lukas; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","s-Block metal complexes of superbulky (<sup><i>t</i></sup>Bu<sub>3</sub>Si)<sub>2</sub>N<sup>-</sup>: a new weakly coordinating anion?","Chemical science","2024","15","12","4386","4395","10.1039/d3sc06896j","","x-ray","0.71073","MoKα","","0.031","0.0234","","","0.0513","0.0554","","","","","","1.048","","","","has coordinates","290874","2024-04-04","23:00:38",""
"1571051","20.286","0.0004","14.13261","0.00017","17.3397","0.0003","90","","113.967","0.002","90","","4542.57","0.15","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H78 Cs N Si2 -","- C45 H78 Cs N Si2 -","- C180 H312 Cs4 N4 Si8 -","4","1","","Knüpfer, Christian; Klerner, Lukas; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","s-Block metal complexes of superbulky (<sup><i>t</i></sup>Bu<sub>3</sub>Si)<sub>2</sub>N<sup>-</sup>: a new weakly coordinating anion?","Chemical science","2024","15","12","4386","4395","10.1039/d3sc06896j","","x-ray","0.71073","MoKα","","0.0331","0.0257","","","0.0568","0.0603","","","","","","1.057","","","","has coordinates","290874","2024-04-04","23:00:38",""
"1571052","11.12464","0.00016","14.7718","0.0002","17.2761","0.0003","86.9319","0.0012","72.3912","0.0013","76.3044","0.0013","2628.53","0.07","100","0.1","100","0.1","","","","","","","","5","P 1","P 1","1","","","","- C24 H54 Li N Si2 -","- C24 H54 Li N Si2 -","- C96 H216 Li4 N4 Si8 -","4","4","","Knüpfer, Christian; Klerner, Lukas; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","s-Block metal complexes of superbulky (<sup><i>t</i></sup>Bu<sub>3</sub>Si)<sub>2</sub>N<sup>-</sup>: a new weakly coordinating anion?","Chemical science","2024","15","12","4386","4395","10.1039/d3sc06896j","","x-ray","1.54184","CuKα","","0.0445","0.0395","","","0.1076","0.1132","","","","","","1.042","","","","has coordinates,has disorder","290874","2024-04-04","23:00:38",""
"1571053","11.8092","0.0003","6.61169","0.00013","18.3462","0.0004","90","","92.755","0.002","90","","1430.79","0.06","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 O2 -","- C19 H22 O2 -","- C76 H88 O8 -","4","1","","Voloshkin, Vladislav A.; Villa, Marco; Martynova, Ekaterina A.; Beliš, Marek; Van Hecke, Kristof; Ceroni, Paola; Nolan, Steven P.","Synthesis of cyclobutane-fused chromanones <i>via</i> gold-mediated photocatalysis.","Chemical science","2024","15","12","4571","4580","10.1039/d3sc06675d","","x-ray","1.54184","CuKα","","0.0441","0.0405","","","0.1073","0.1118","","","","","","1.035","","","","has coordinates","290866","2024-04-04","22:57:36",""
"1571054","20.6949","0.0008","21.4736","0.0008","37.0898","0.0017","86.138","0.003","75.416","0.003","77.503","0.002","15572","1.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C80 H88 O8 S4 -","- C80 H88 O8 S4 -","- C720 H792 O72 S36 -","9","4.5","","An, Dongyue; Zhang, Rong; Zhu, Jiangyu; Wang, Teng; Zhao, Yan; Lu, Xuefeng; Liu, Yunqi","From π-conjugated macrocycles to heterocycloarenes based on benzo[2,1-<i>b</i>:3,4-<i>b</i>']dithiophene (BDTh): size- and geometry-dependent host-guest properties.","Chemical science","2024","15","12","4590","4601","10.1039/d3sc05074b","","","1.54178","CuKα","","0.1787","0.098","","","0.2582","0.3229","","","","","","1.022","","","","has coordinates","290873","2024-04-04","22:59:50",""
"1571055","19.1086","0.0004","21.5706","0.0005","22.0668","0.0006","107.294","0.001","108.154","0.001","109.712","0.001","7266.8","0.3","173","2","173","","","","","","","","","4","P -1","-P 1","2","","","","- C176 H176 O16 S8 -","- C176 H176 O16 S8 -","- C352 H352 O32 S16 -","2","1","","An, Dongyue; Zhang, Rong; Zhu, Jiangyu; Wang, Teng; Zhao, Yan; Lu, Xuefeng; Liu, Yunqi","From π-conjugated macrocycles to heterocycloarenes based on benzo[2,1-<i>b</i>:3,4-<i>b</i>']dithiophene (BDTh): size- and geometry-dependent host-guest properties.","Chemical science","2024","15","12","4590","4601","10.1039/d3sc05074b","","","1.54178","CuKα","","0.1232","0.0632","","","0.1549","0.1877","","","","","","0.995","","","","has coordinates,has disorder","290873","2024-04-04","22:59:50",""
"1571056","36.5768","0.0008","36.5768","0.0008","36.5768","0.0008","90","","90","","90","","48934.7","1.9","170","2","170","","","","","","","","","4","I a -3","-I 2b 2c 3","206","","MS6T@C70","","- C310 H264 O24 S12 -","- C310.014 H264 O24 S12 -","- C2480.11 H2112 O192 S96 -","8","0.166667","","An, Dongyue; Zhang, Rong; Zhu, Jiangyu; Wang, Teng; Zhao, Yan; Lu, Xuefeng; Liu, Yunqi","From π-conjugated macrocycles to heterocycloarenes based on benzo[2,1-<i>b</i>:3,4-<i>b</i>']dithiophene (BDTh): size- and geometry-dependent host-guest properties.","Chemical science","2024","15","12","4590","4601","10.1039/d3sc05074b","","","1.54178","CuKα","","0.2527","0.1824","","","0.4436","0.5144","","","","","","1.586","","","","has coordinates,has disorder","290873","2024-04-04","22:59:50",""
"1571057","19.7811","0.0006","21.1752","0.0006","22.0693","0.0006","78.003","0.001","84.786","0.002","86.057","0.002","8993","0.4","173","","173","","","","","","","","","4","P -1","-P 1","2","","MS6T@C60","","- C273.75 H136 O12 S6.5 -","- C273.75 H136 O12 S6.5 -","- C547.5 H272 O24 S13 -","2","1","","An, Dongyue; Zhang, Rong; Zhu, Jiangyu; Wang, Teng; Zhao, Yan; Lu, Xuefeng; Liu, Yunqi","From π-conjugated macrocycles to heterocycloarenes based on benzo[2,1-<i>b</i>:3,4-<i>b</i>']dithiophene (BDTh): size- and geometry-dependent host-guest properties.","Chemical science","2024","15","12","4590","4601","10.1039/d3sc05074b","","","1.54178","CuKα","","0.212","0.1787","","","0.4833","0.5162","","","","","","2.202","","","","has coordinates,has disorder","290873","2024-04-04","22:59:50",""
"1571058","12.0996","0.0009","15.2353","0.0012","17.5608","0.0012","105.518","0.003","90.022","0.003","94.87","0.003","3107","0.4","100.01","","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H45 B11 N4 Si2 -","- C20 H45 B11 N4 Si2 -","- C80 H180 B44 N16 Si8 -","4","2","","Wang, Junyi; Xiang, Libo; Liu, Xiaocui; Matler, Alexander; Lin, Zhenyang; Ye, Qing","Avenue to novel <i>o</i>-carboranyl boron compounds - reactivity study of <i>o</i>-carborane-fused aminoborirane towards organic azides.","Chemical science","2024","15","13","4839","4845","10.1039/d4sc00489b","","","0.71073","MoKα","","0.1314","0.0947","","","0.2072","0.2209","","","","","","1.093","","","","has coordinates","290843","2024-04-04","22:47:52",""
"1571059","10.099","0.0002","10.6588","0.0001","13.6478","0.0002","85.581","0.001","72.43","0.001","72.345","0.001","1334.42","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H31 B11 Cl2 N4 Si2 -","- C14 H31 B11 Cl2 N4 Si2 -","- C28 H62 B22 Cl4 N8 Si4 -","2","1","","Wang, Junyi; Xiang, Libo; Liu, Xiaocui; Matler, Alexander; Lin, Zhenyang; Ye, Qing","Avenue to novel <i>o</i>-carboranyl boron compounds - reactivity study of <i>o</i>-carborane-fused aminoborirane towards organic azides.","Chemical science","2024","15","13","4839","4845","10.1039/d4sc00489b","","x-ray","1.54184","CuKα","K-L~2,3~","0.031","0.0295","","","0.0817","0.0832","","","","","","1.07","","","","has coordinates","290843","2024-04-04","22:47:53",""
"1571060","18.6315","0.0018","11.0376","0.001","22.7392","0.0017","90","","108.033","0.003","90","","4446.5","0.7","99.99","","99.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H63 B22 N5 Si4 -","- C23 H63 B22 N5 Si4 -","- C92 H252 B88 N20 Si16 -","4","1","","Wang, Junyi; Xiang, Libo; Liu, Xiaocui; Matler, Alexander; Lin, Zhenyang; Ye, Qing","Avenue to novel <i>o</i>-carboranyl boron compounds - reactivity study of <i>o</i>-carborane-fused aminoborirane towards organic azides.","Chemical science","2024","15","13","4839","4845","10.1039/d4sc00489b","","","0.71073","MoKα","","0.0795","0.0457","","","0.1158","0.1297","","","","","","1.076","","","","has coordinates","290843","2024-04-04","22:47:53",""
"1571061","9.9271","0.0003","24.775","0.0006","10.7243","0.0003","90","","109.394","0.001","90","","2487.91","0.12","99.99","","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H37 B11 N2 Si3 -","- C11 H37 B11 N2 Si3 -","- C44 H148 B44 N8 Si12 -","4","1","","Wang, Junyi; Xiang, Libo; Liu, Xiaocui; Matler, Alexander; Lin, Zhenyang; Ye, Qing","Avenue to novel <i>o</i>-carboranyl boron compounds - reactivity study of <i>o</i>-carborane-fused aminoborirane towards organic azides.","Chemical science","2024","15","13","4839","4845","10.1039/d4sc00489b","","","0.71073","MoKα","","0.0357","0.0316","","","0.0822","0.0854","","","","","","1.049","","","","has coordinates","290843","2024-04-04","22:47:53",""
"1571062","9.2271","0.0006","10.9005","0.0005","18.1246","0.0012","87.183","0.002","85.142","0.003","77.257","0.002","1770.81","0.18","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C49 H38 B N O -","- C49 H38 B N O -","- C98 H76 B2 N2 O2 -","2","1","","Li, Chuan; Zhang, Kai; Luo, Yanju; Yang, Yang; Huang, Yong; Jia, Mengjiao; He, Yuling; Lei, Yue; Tang, Jian-Xin; Huang, Yan; Lu, Zhiyun","Realizing highly efficient deep-blue organic light-emitting diodes towards Rec.2020 chromaticity by restricting the vibration of the molecular framework.","Chemical science","2024","15","13","4790","4796","10.1039/d3sc06763g","","","0.71073","MoKα","","0.0872","0.0511","","","0.1125","0.1293","","","","","","1.013","","","","has coordinates","290844","2024-04-04","22:48:03",""
"1571063","18.072","0.003","9.2591","0.0016","42.868","0.008","90","","93.026","0.011","90","","7163","2","150","2","150","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C48 H38 B N O S -","- C48 H38 B N O S -","- C384 H304 B8 N8 O8 S8 -","8","1","","Li, Chuan; Zhang, Kai; Luo, Yanju; Yang, Yang; Huang, Yong; Jia, Mengjiao; He, Yuling; Lei, Yue; Tang, Jian-Xin; Huang, Yan; Lu, Zhiyun","Realizing highly efficient deep-blue organic light-emitting diodes towards Rec.2020 chromaticity by restricting the vibration of the molecular framework.","Chemical science","2024","15","13","4790","4796","10.1039/d3sc06763g","","","0.71073","MoKα","","0.127","0.0786","","","0.1906","0.2243","","","","","","1.047","","","","has coordinates","290844","2024-04-04","22:48:03",""
"1571064","10.1637","0.0006","19.7936","0.0011","25.9343","0.0016","90","","90","","90","","5217.4","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H24 Br2 N4 O -","- C27 H24 Br2 N4 O -","- C216 H192 Br16 N32 O8 -","8","1","","Ballav, Nityananda; Saha, Shib Nath; Yadav, Shailesh; Baidya, Mahiuddin","Three-component dicarbofunctionalization of allylamines <i>via</i> nucleopalladation pathway: unlocking vicinal and geminal selectivity.","Chemical science","2024","15","13","4890","4896","10.1039/d4sc00607k","","","0.71073","MoKα","","0.0903","0.0531","","","0.1253","0.1443","","","","","","1.048","","","","has coordinates","290848","2024-04-04","22:49:12",""
"1571065","22.8453","0.0003","23.793","0.0003","26.4043","0.0003","90","","90","","90","","14352.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C120 H204 Au12 Cd2 S12 -","- C120 H204 Au12 Cd2 S12 -","- C480 H816 Au48 Cd8 S48 -","4","1","","Zhou, Jun; Yang, Xiaofei; Zheng, Peisen; Li, Qinzhen; Li, Xiaowu; Chai, Jinsong; Huang, Baoyu; Yang, Sha; Zhu, Manzhou","Construction of an Au<sub>12</sub>Cd<sub>2</sub> nanocluster with circularly polarized luminescence by a metal- and ligand-exchange strategy.","Chemical science","2024","15","13","4853","4859","10.1039/d3sc06810b","","","1.54186","CuKα","","0.0847","0.0656","","","0.1691","0.1769","","","","","","0.974","","","","has coordinates","290846","2024-04-04","22:48:48",""
"1571066","19.1684","0.0003","27.7216","0.0003","28.1292","0.0004","90","","98.324","0.001","90","","14789.8","0.4","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C120 H204 Au12 Cd2 S12 -","- C120 H204 Au12 Cd2 S12 -","- C480 H816 Au48 Cd8 S48 -","4","2","","Zhou, Jun; Yang, Xiaofei; Zheng, Peisen; Li, Qinzhen; Li, Xiaowu; Chai, Jinsong; Huang, Baoyu; Yang, Sha; Zhu, Manzhou","Construction of an Au<sub>12</sub>Cd<sub>2</sub> nanocluster with circularly polarized luminescence by a metal- and ligand-exchange strategy.","Chemical science","2024","15","13","4853","4859","10.1039/d3sc06810b","","","1.54186","CuKα","","0.0958","0.0796","","","0.1967","0.2235","","","","","","1.008","","","","has coordinates","290846","2024-04-04","22:48:48",""
"1571067","22.888","0.003","9.0423","0.0011","17.724","0.002","90","","115.556","0.004","90","","3309.3","0.7","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 Cl2 I2 N6 O2 Zn -","- C26 H32 Cl2 I2 N6 O2 Zn -","- C104 H128 Cl8 I8 N24 O8 Zn4 -","4","0.5","","Sahoo, Sangita; Manna, Subarna; Rit, Arnab","Unravelling a bench-stable zinc-amide compound as highly active multitasking catalyst for radical-mediated selective alk(en)ylation of unactivated carbocycles under mild conditions.","Chemical science","2024","15","14","5238","5247","10.1039/d3sc06334h","","","0.71073","MoKα","","0.0932","0.0653","","","0.1688","0.1905","","","","","","0.984","","","","has coordinates","291574","2024-05-05","01:46:44",""
"1571068","13.7387","0.0012","20.547","0.002","8.4283","0.0009","90","","90","","90","","2379.2","0.4","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","Prop-2-ynyl 3-methoxy-4-(prop-2-ynyloxy)benzoate","","- C14 H12 O4 -","- C14 H12 O4 -","- C112 H96 O32 -","8","2","HB4463","Moodley, Cresten; Muller, Alfred; Belay, Yonas H.","Prop-2-ynyl 3-methoxy-4-(prop-2-ynyloxy)benzoate","IUCrData","2024","9","2","","","10.1107/S2414314624001639","","","0.71073","MoKα","","0.1043","0.0518","","","0.0919","0.1106","","","","","","0.998","","","","has coordinates","289981","2024-02-28","03:28:37",""
"1571069","14.3298","0.0001","27.6726","0.0002","18.9178","0.0002","90","","110.718","0.001","90","","7016.6","0.11","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H82 Fe2 K2 N6 O12 Pb9 -","- C46 H82 Fe2 K2 N6 O12 Pb9 -","- C184 H328 Fe8 K8 N24 O48 Pb36 -","4","1","","Chen, Wei-Xing; Li, Zi-Sheng; Morgan, Harry W. T.; Shu, Cong-Cong; Sun, Zhong-Ming; McGrady, John E.","Fe-Fe bonding in the rhombic Fe<sub>4</sub> cores of the Zintl clusters [Fe<sub>4</sub>E<sub>18</sub>]<sup>4-</sup> (E = Sn and Pb).","Chemical science","2024","15","13","4981","4988","10.1039/d4sc00165f","","x-ray","1.54184","CuKα","","0.0665","0.0597","","","0.1603","0.1658","","","","","","1.017","","","","has coordinates","290847","2024-04-04","22:49:03",""
"1571070","14.3074","0.0001","27.4645","0.0002","18.8056","0.0001","90","","110.678","0.001","90","","6913.54","0.09","100.01","0.11","100.01","0.11","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C92 H164 Fe4 K4 N12 O24 Sn18 -","- C92 H164 Fe4 K4 N12 O24 Sn18 -","- C184 H328 Fe8 K8 N24 O48 Sn36 -","2","0.5","","Chen, Wei-Xing; Li, Zi-Sheng; Morgan, Harry W. T.; Shu, Cong-Cong; Sun, Zhong-Ming; McGrady, John E.","Fe-Fe bonding in the rhombic Fe<sub>4</sub> cores of the Zintl clusters [Fe<sub>4</sub>E<sub>18</sub>]<sup>4-</sup> (E = Sn and Pb).","Chemical science","2024","15","13","4981","4988","10.1039/d4sc00165f","","x-ray","1.54184","CuKα","","0.0472","0.0368","","","0.0886","0.0921","","","","","","1.016","","","","has coordinates,has disorder","290847","2024-04-04","22:49:04",""
"1571071","15.7369","0.0002","15.9735","0.0003","16.6129","0.0002","107.761","0.0014","97.0389","0.0012","112.88","0.0015","3522.99","0.11","129.99","0.1","129.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C42 H86 Fe2 K2 N6 O14 Sn9 -","- C42 H86 Fe2 K2 N6 O14 Sn9 -","- C84 H172 Fe4 K4 N12 O28 Sn18 -","2","1","","Chen, Wei-Xing; Li, Zi-Sheng; Morgan, Harry W. T.; Shu, Cong-Cong; Sun, Zhong-Ming; McGrady, John E.","Fe-Fe bonding in the rhombic Fe<sub>4</sub> cores of the Zintl clusters [Fe<sub>4</sub>E<sub>18</sub>]<sup>4-</sup> (E = Sn and Pb).","Chemical science","2024","15","13","4981","4988","10.1039/d4sc00165f","","x-ray","1.54184","CuKα","","0.0568","0.0518","","","0.1385","0.1423","","","","","","1.034","","","","has coordinates","290847","2024-04-04","22:49:04",""
"1571072","10.8789","0.0002","8.8689","0.0001","11.6944","0.0002","90","","110.898","0.001","90","","1054.1","0.03","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H25 N O2 -","- C27 H25 N O2 -","- C54 H50 N2 O4 -","2","1","","Zhan, Tangyu; Zhou, Liang; Zhou, Yuqiao; Yang, Bingqian; Feng, Xiaoming; Liu, Xiaohua","Iron<sup>III</sup>-catalyzed asymmetric inverse-electron-demand hetero-Diels-Alder reaction of dioxopyrrolidines with simple olefins.","Chemical science","2024","15","13","4797","4803","10.1039/d4sc00078a","","","1.54178","CuKα","","0.0324","0.0317","","","0.0835","0.0842","","","","","","1.039","","","","has coordinates","290845","2024-04-04","22:48:14",""
"1571073","6.0177","0.0001","14.5243","0.0003","23.7109","0.0005","90","","90","","90","","2072.4","0.07","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 N O2 -","- C26 H23 N O2 -","- C104 H92 N4 O8 -","4","1","","Zhan, Tangyu; Zhou, Liang; Zhou, Yuqiao; Yang, Bingqian; Feng, Xiaoming; Liu, Xiaohua","Iron<sup>III</sup>-catalyzed asymmetric inverse-electron-demand hetero-Diels-Alder reaction of dioxopyrrolidines with simple olefins.","Chemical science","2024","15","13","4797","4803","10.1039/d4sc00078a","","","1.54178","CuKα","","0.0382","0.035","","","0.0809","0.0824","","","","","","1.044","","","","has coordinates","290845","2024-04-04","22:48:24",""
"1571074","8.7506","0.0002","9.999","0.0002","25.027","0.0006","90","","90","","90","","2189.79","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 N O4 -","- C26 H23 N O4 -","- C104 H92 N4 O16 -","4","1","","Zhan, Tangyu; Zhou, Liang; Zhou, Yuqiao; Yang, Bingqian; Feng, Xiaoming; Liu, Xiaohua","Iron<sup>III</sup>-catalyzed asymmetric inverse-electron-demand hetero-Diels-Alder reaction of dioxopyrrolidines with simple olefins.","Chemical science","2024","15","13","4797","4803","10.1039/d4sc00078a","","","1.54178","CuKα","","0.037","0.0364","","","0.0951","0.0958","","","","","","1.054","","","","has coordinates","290845","2024-04-04","22:48:25",""
"1571075","12.3363","0.0001","22.0219","0.0002","24.3308","0.0003","90","","96.052","0.001","90","","6573.08","0.11","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H97 N4 O2 P2 -","- C72 H97 N4 O2 P2 -","- C288 H388 N16 O8 P8 -","4","1","","Liu, Shihua; Li, Yinwu; Lin, Jieli; Ke, Zhuofeng; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Sequential radical and cationic reactivity at separated sites within one molecule in solution.","Chemical science","2024","15","14","5376","5384","10.1039/d4sc00201f","","x-ray","1.54184","CuKα","","0.0637","0.0568","","","0.1624","0.1688","","","","","","1.041","","","","has coordinates","291575","2024-05-05","01:51:16",""
"1571076","30.4484","0.0002","15.1788","0.0001","14.0258","0.0001","90","","90","","90","","6482.31","0.08","149.99","0.1","149.99","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C71 H93 N5 O2 P2 -","- C71 H93 N5 O2 P2 -","- C284 H372 N20 O8 P8 -","4","1","","Liu, Shihua; Li, Yinwu; Lin, Jieli; Ke, Zhuofeng; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Sequential radical and cationic reactivity at separated sites within one molecule in solution.","Chemical science","2024","15","14","5376","5384","10.1039/d4sc00201f","","x-ray","1.54184","CuKα","","0.0341","0.0331","","","0.0888","0.0895","","","","","","1.034","","","","has coordinates","291575","2024-05-05","01:51:24",""
"1571077","15.1726","0.0002","16.6364","0.0002","21.9306","0.0002","103.617","0.001","108.01","0.001","91.825","0.001","5083.56","0.11","149.98","0.1","149.98","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C107 H107 B F24 N4 O2 P2 S -","- C107 H107 B F24 N4 O2 P2 S -","- C214 H214 B2 F48 N8 O4 P4 S2 -","2","1","","Liu, Shihua; Li, Yinwu; Lin, Jieli; Ke, Zhuofeng; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Sequential radical and cationic reactivity at separated sites within one molecule in solution.","Chemical science","2024","15","14","5376","5384","10.1039/d4sc00201f","","x-ray","1.54184","CuKα","","0.0906","0.0779","","","0.2159","0.2269","","","","","","1.072","","","","has coordinates,has disorder","291575","2024-05-05","01:51:27",""
"1571078","12.9969","0.0005","20.0236","0.0007","20.1523","0.0007","106.472","0.002","101.18","0.002","96.412","0.002","4855.8","0.3","150","2","150","","","","","","","","","7","P -1","-P 1","2","","","","- C101 H102 B F24 N4 O2 P2 -","- C101 H102 B F23.9994 N4 O2 P2 -","- C202 H204 B2 F47.9988 N8 O4 P4 -","2","1","","Liu, Shihua; Li, Yinwu; Lin, Jieli; Ke, Zhuofeng; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Sequential radical and cationic reactivity at separated sites within one molecule in solution.","Chemical science","2024","15","14","5376","5384","10.1039/d4sc00201f","","","0.71073","MoKα","","0.1929","0.089","","","0.1776","0.2327","","","","","","1.024","","","","has coordinates,has disorder","291575","2024-05-05","01:51:27",""
"1571079","14.7749","0.0002","16.5982","0.0002","20.9941","0.0002","72.259","0.001","77.193","0.001","89.943","0.001","4769.4","0.1","103","5","103","5","","","","","","","","7","P -1","-P 1","2","","","","- C195 H203 B2 F48 N8 O8 P4 -","- C195 H203 B2 F48 N8 O8 P4 -","- C195 H203 B2 F48 N8 O8 P4 -","1","0.5","","Liu, Shihua; Li, Yinwu; Lin, Jieli; Ke, Zhuofeng; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Sequential radical and cationic reactivity at separated sites within one molecule in solution.","Chemical science","2024","15","14","5376","5384","10.1039/d4sc00201f","","x-ray","1.54184","CuKα","","0.0693","0.0606","","","0.1649","0.1718","","","","","","1.044","","","","has coordinates","291575","2024-05-05","01:51:27",""
"1571080","26.0037","0.0008","13.0979","0.0003","40.762","0.0009","90","","95.402","0.002","90","","13821.6","0.6","149.99","0.1","149.99","0.1","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C300 H380 F4 N16 O8 P8 S4 -","- C300 H380 F4 N16 O8 P8 S4 -","- C600 H760 F8 N32 O16 P16 S8 -","2","0.5","","Liu, Shihua; Li, Yinwu; Lin, Jieli; Ke, Zhuofeng; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Sequential radical and cationic reactivity at separated sites within one molecule in solution.","Chemical science","2024","15","14","5376","5384","10.1039/d4sc00201f","","x-ray","1.54184","CuKα","","0.0995","0.072","","","0.198","0.2158","","","","","","1.053","","","","has coordinates,has disorder","291575","2024-05-05","01:51:27",""
"1571081","13.4882","0.0006","17.4109","0.0007","22.772","0.0009","87.067","0.002","73.3","0.002","89.995","0.002","5115","0.4","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C100 H108 B F24 N4 O4 P2 Si -","- C100 H108 B F24 N4 O4 P2 Si -","- C200 H216 B2 F48 N8 O8 P4 Si2 -","2","1","","Liu, Shihua; Li, Yinwu; Lin, Jieli; Ke, Zhuofeng; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Sequential radical and cationic reactivity at separated sites within one molecule in solution.","Chemical science","2024","15","14","5376","5384","10.1039/d4sc00201f","","","0.71073","MoKα","","0.0787","0.0638","","","0.1761","0.1867","","","","","","1.08","","","","has coordinates,has disorder","291575","2024-05-05","01:51:27",""
"1571082","12.4929","0.0002","18.7651","0.0003","22.0705","0.0002","106.62","0.001","95.643","0.001","92.863","0.001","4917.25","0.12","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C102 H104 B F24 N7 O2 P2 -","- C102 H104 B F24 N7 O2 P2 -","- C204 H208 B2 F48 N14 O4 P4 -","2","1","","Liu, Shihua; Li, Yinwu; Lin, Jieli; Ke, Zhuofeng; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Sequential radical and cationic reactivity at separated sites within one molecule in solution.","Chemical science","2024","15","14","5376","5384","10.1039/d4sc00201f","","x-ray","1.54184","CuKα","","0.1259","0.0953","","","0.2679","0.2913","","","","","","1.08","","","","has coordinates,has disorder","291575","2024-05-05","01:51:27",""
"1571083","8.4826","0.0008","17.7973","0.0016","37.589","0.005","90","","90","","90","","5674.7","1.1","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H45 Au B P -","- C30 H45 Au B P -","- C240 H360 Au8 B8 P8 -","8","1","","Hidalgo, Nereida; Le Gac, Arnaud; Mallet-Ladeira, Sonia; Bouhadir, Ghenwa; Bourissou, Didier","Chemo-selective Stille-type coupling of acyl-chlorides upon phosphine-borane Au(i) catalysis.","Chemical science","2024","15","14","5187","5191","10.1039/d3sc06193k","","","0.71073","MoKα","","0.0337","0.0224","","","0.0495","0.0528","","","","","","1.038","","","","has coordinates","291577","2024-05-05","01:53:50",""
"1571084","9.572","0.0004","39.2345","0.0015","15.7352","0.0006","90","","95.739","0.002","90","","5879.8","0.4","193","2","193","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C50 H80 Au2 B2 Cl F6 N O4 P2 S2 -","- C50 H80 Au2 B2 Cl F6 N O4 P2 S2 -","- C200 H320 Au8 B8 Cl4 F24 N4 O16 P8 S8 -","4","1","","Hidalgo, Nereida; Le Gac, Arnaud; Mallet-Ladeira, Sonia; Bouhadir, Ghenwa; Bourissou, Didier","Chemo-selective Stille-type coupling of acyl-chlorides upon phosphine-borane Au(i) catalysis.","Chemical science","2024","15","14","5187","5191","10.1039/d3sc06193k","","","1.54178","CuKα","","0.0274","0.0271","","","0.0676","0.0678","","","","","","1.087","","","","has coordinates","291577","2024-05-05","01:53:56",""
"1571085","10.8707","0.0011","11.6793","0.0012","48.43","0.005","89.013","0.002","86.081","0.002","85.987","0.002","6118.9","1.1","193","2","193","2","","","","","","","","9","P -1","-P 1","2","","","","- C56 H85 Au2 B2 F6 N O4 P2 S2 -","- C56 H85 Au2 B2 F6 N O4 P2 S2 -","- C224 H340 Au8 B8 F24 N4 O16 P8 S8 -","4","2","","Hidalgo, Nereida; Le Gac, Arnaud; Mallet-Ladeira, Sonia; Bouhadir, Ghenwa; Bourissou, Didier","Chemo-selective Stille-type coupling of acyl-chlorides upon phosphine-borane Au(i) catalysis.","Chemical science","2024","15","14","5187","5191","10.1039/d3sc06193k","","","0.71073","MoKα","","0.1192","0.0566","","","0.0973","0.1203","","","","","","1.02","","","","has coordinates,has disorder","291577","2024-05-05","01:53:56",""
"1571086","5.1722","0.0004","11.4102","0.0009","12.6516","0.0011","76.401","0.004","85.975","0.004","80.371","0.004","715.12","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H11 Br N2 O4 -","- C15 H11 Br N2 O4 -","- C30 H22 Br2 N4 O8 -","2","1","","Shahbaz, Muhammad; Farooq, Saba; Choudhary, M. Iqbal; Yousuf, Sammer","Cocrystals of a coumarin derivative: an efficient approach towards anti-leishmanial cocrystals against MIL-resistant Leishmania tropica.","IUCrJ","2024","11","2","224","236","10.1107/S2052252524001416","","","1.54178","CuKα","","0.045","0.0372","","","0.0916","0.0976","","","","","","1.086","","","","has coordinates","290341","2024-03-05","20:46:43",""
"1571087","28.3874","0.001","4.9666","0.0002","21.326","0.0007","90","","95.807","0.002","90","","2991.3","0.19","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H11 F3 N2 O4 -","- C16 H11 F3 N2 O4 -","- C128 H88 F24 N16 O32 -","8","1","","Shahbaz, Muhammad; Farooq, Saba; Choudhary, M. Iqbal; Yousuf, Sammer","Cocrystals of a coumarin derivative: an efficient approach towards anti-leishmanial cocrystals against MIL-resistant Leishmania tropica.","IUCrJ","2024","11","2","224","236","10.1107/S2052252524001416","","","1.54178","CuKα","","0.0327","0.0315","","","0.093","0.0942","","","","","","1.037","","","","has coordinates","290341","2024-03-05","20:46:43",""
"1571088","8.5818","0.0003","21.8411","0.0007","7.7116","0.0002","90","","95.273","0.001","90","","1439.31","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","- C64 H56 N8 O16 -","4","1","","Shahbaz, Muhammad; Farooq, Saba; Choudhary, M. Iqbal; Yousuf, Sammer","Cocrystals of a coumarin derivative: an efficient approach towards anti-leishmanial cocrystals against MIL-resistant Leishmania tropica.","IUCrJ","2024","11","2","224","236","10.1107/S2052252524001416","","","1.54178","CuKα","","0.0586","0.0467","","","0.1196","0.1277","","","","","","1.089","","","","has coordinates","290341","2024-03-05","20:46:43",""
"1571089","11.6158","0.0003","7.6829","0.0002","16.7602","0.0004","90","","103.279","0.001","90","","1455.74","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 N O6 -","- C17 H13 N O6 -","- C68 H52 N4 O24 -","4","1","","Shahbaz, Muhammad; Farooq, Saba; Choudhary, M. Iqbal; Yousuf, Sammer","Cocrystals of a coumarin derivative: an efficient approach towards anti-leishmanial cocrystals against MIL-resistant Leishmania tropica.","IUCrJ","2024","11","2","224","236","10.1107/S2052252524001416","","","1.54178","CuKα","","0.0411","0.0385","","","0.1073","0.1099","","","","","","1.057","","","","has coordinates","290341","2024-03-05","20:46:43",""
"1571090","26.172","0.003","3.9741","0.0004","11.4267","0.0011","90","","90","","90","","1188.5","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H9 N4 O4 -","- C12 H10 N4 O4 -","- C48 H40 N16 O16 -","4","1","","Shahbaz, Muhammad; Farooq, Saba; Choudhary, M. Iqbal; Yousuf, Sammer","Cocrystals of a coumarin derivative: an efficient approach towards anti-leishmanial cocrystals against MIL-resistant Leishmania tropica.","IUCrJ","2024","11","2","224","236","10.1107/S2052252524001416","","","1.54178","CuKα","","0.1295","0.071","","","0.152","0.1769","","","","","","1.063","","","","has coordinates","290341","2024-03-05","20:46:43",""
"1571091","13.5866","0.0008","25.3514","0.0014","28.7868","0.0015","90","","90","","90","","9915.3","1","193","","193","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","HIAM-4040","","- C33 H15 N2 O32 Zr6 -","- C33 H15 N2 O32 Zr6 -","- C132 H60 N8 O128 Zr24 -","4","1","","Peng, Tianyou; Han, Chao-Qin; Xia, Hai-Lun; Zhou, Kang; Zhang, Jian; Si, Jincheng; Wang, Lei; Miao, Jiafeng; Guo, Fu-An; Wang, Hao; Qu, Lu-Lu; Xu, Guozhong; Li, Jing; Liu, Xiao-Yuan","Reticular chemistry guided precise construction of zirconium-pentacarboxylate frameworks with 5-connected Zr<sub>6</sub> clusters.","Chemical science","2024","15","9","3174","3181","10.1039/d3sc05410a","","","1.34139","GaKα","","0.0512","0.0383","","","0.0878","0.092","","","","","","0.913","","","","has coordinates","290044","2024-03-04","02:09:41",""
"1571092","25.437","0.002","28.85","0.002","12.9217","0.0011","90","","90","","90","","9482.7","1.3","193","","193","","","","","","","","","5","I m m a","-I 2b 2","74","","HIAM-4040-OH-EtOH","","- C33 H20 N2 O27 Zr6 -","- C33 H20 N2 O27 Zr6 -","- C132 H80 N8 O108 Zr24 -","4","0.25","","Peng, Tianyou; Han, Chao-Qin; Xia, Hai-Lun; Zhou, Kang; Zhang, Jian; Si, Jincheng; Wang, Lei; Miao, Jiafeng; Guo, Fu-An; Wang, Hao; Qu, Lu-Lu; Xu, Guozhong; Li, Jing; Liu, Xiao-Yuan","Reticular chemistry guided precise construction of zirconium-pentacarboxylate frameworks with 5-connected Zr<sub>6</sub> clusters.","Chemical science","2024","15","9","3174","3181","10.1039/d3sc05410a","","","0.71073","MoKα","","0.1433","0.103","","","0.2936","0.3269","","","","","","1.04","","","","has coordinates,has disorder","290044","2024-03-04","02:09:42",""
"1571093","28.527","0.006","25.427","0.004","13.449","0.003","90","","90","","90","","9755","3","323","","323","","","","","","","","","5","P n m a","-P 2ac 2n","62","","HIAM-4040-OH-323K","","- C33 H16 N2 O33 Zr6 -","- C33 H16 N2 O33 Zr6 -","- C132 H64 N8 O132 Zr24 -","4","0.5","","Peng, Tianyou; Han, Chao-Qin; Xia, Hai-Lun; Zhou, Kang; Zhang, Jian; Si, Jincheng; Wang, Lei; Miao, Jiafeng; Guo, Fu-An; Wang, Hao; Qu, Lu-Lu; Xu, Guozhong; Li, Jing; Liu, Xiao-Yuan","Reticular chemistry guided precise construction of zirconium-pentacarboxylate frameworks with 5-connected Zr<sub>6</sub> clusters.","Chemical science","2024","15","9","3174","3181","10.1039/d3sc05410a","","","1.54178","CuKα","","0.0928","0.0694","","","0.186","0.2078","","","","","","0.93","","","","has coordinates,has disorder","290044","2024-03-04","02:09:42",""
"1571094","28.6081","0.0013","25.3758","0.0013","13.7747","0.0007","90","","90","","90","","9999.8","0.9","193","","193","","","","","","","","","5","P n m a","-P 2ac 2n","62","","HIAM-4040-OH","","- C33 H16 N2 O33 Zr6 -","- C33 H16 N2 O33 Zr6 -","- C132 H64 N8 O132 Zr24 -","4","0.5","","Peng, Tianyou; Han, Chao-Qin; Xia, Hai-Lun; Zhou, Kang; Zhang, Jian; Si, Jincheng; Wang, Lei; Miao, Jiafeng; Guo, Fu-An; Wang, Hao; Qu, Lu-Lu; Xu, Guozhong; Li, Jing; Liu, Xiao-Yuan","Reticular chemistry guided precise construction of zirconium-pentacarboxylate frameworks with 5-connected Zr<sub>6</sub> clusters.","Chemical science","2024","15","9","3174","3181","10.1039/d3sc05410a","","","0.71073","MoKα","","0.1123","0.0734","","","0.1763","0.1972","","","","","","1.059","","","","has coordinates,has disorder","290044","2024-03-04","02:09:42",""
"1571095","28.822","0.003","25.209","0.002","13.8069","0.0013","90","","90","","90","","10031.7","1.6","193","","193","","","","","","","","","5","P n m a","-P 2ac 2n","62","","HIAM-4040-OH-pH2","","- C33 H16 N2 O33 Zr6 -","- C33 H16 N2 O33 Zr6 -","- C132 H64 N8 O132 Zr24 -","4","0.5","","Peng, Tianyou; Han, Chao-Qin; Xia, Hai-Lun; Zhou, Kang; Zhang, Jian; Si, Jincheng; Wang, Lei; Miao, Jiafeng; Guo, Fu-An; Wang, Hao; Qu, Lu-Lu; Xu, Guozhong; Li, Jing; Liu, Xiao-Yuan","Reticular chemistry guided precise construction of zirconium-pentacarboxylate frameworks with 5-connected Zr<sub>6</sub> clusters.","Chemical science","2024","15","9","3174","3181","10.1039/d3sc05410a","","","0.71073","MoKα","","0.0816","0.0524","","","0.1387","0.1522","","","","","","1.038","","","","has coordinates,has disorder","290044","2024-03-04","02:09:42",""
"1571096","28.8021","0.0013","25.366","0.0012","13.6242","0.0007","90","","90","","90","","9953.8","0.8","193","","193","","","","","","","","","5","P n m a","-P 2ac 2n","62","","HIAM-4040-OH-pH12","","- C33 H16 N2 O33 Zr6 -","- C33 H16 N2 O33 Zr6 -","- C132 H64 N8 O132 Zr24 -","4","0.5","","Peng, Tianyou; Han, Chao-Qin; Xia, Hai-Lun; Zhou, Kang; Zhang, Jian; Si, Jincheng; Wang, Lei; Miao, Jiafeng; Guo, Fu-An; Wang, Hao; Qu, Lu-Lu; Xu, Guozhong; Li, Jing; Liu, Xiao-Yuan","Reticular chemistry guided precise construction of zirconium-pentacarboxylate frameworks with 5-connected Zr<sub>6</sub> clusters.","Chemical science","2024","15","9","3174","3181","10.1039/d3sc05410a","","","0.71073","MoKα","","0.0739","0.0512","","","0.1391","0.1507","","","","","","1.037","","","","has coordinates,has disorder","290044","2024-03-04","02:09:42",""
"1571097","28.5667","0.0011","25.4597","0.0008","13.5472","0.0007","90","","90","","90","","9852.9","0.7","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","HIAM-4040-OH-293K","","- C33 H15 N2 O33 Zr6 -","- C33 H15 N2 O33 Zr6 -","- C132 H60 N8 O132 Zr24 -","4","0.5","","Peng, Tianyou; Han, Chao-Qin; Xia, Hai-Lun; Zhou, Kang; Zhang, Jian; Si, Jincheng; Wang, Lei; Miao, Jiafeng; Guo, Fu-An; Wang, Hao; Qu, Lu-Lu; Xu, Guozhong; Li, Jing; Liu, Xiao-Yuan","Reticular chemistry guided precise construction of zirconium-pentacarboxylate frameworks with 5-connected Zr<sub>6</sub> clusters.","Chemical science","2024","15","9","3174","3181","10.1039/d3sc05410a","","","1.54178","CuKα","","0.0563","0.0431","","","0.1264","0.1342","","","","","","1.078","","","","has coordinates,has disorder","290044","2024-03-04","02:09:42",""
"1571098","10.7927","0.0006","9.9495","0.0006","10.0194","0.0006","90","","90","","90","","1075.9","0.11","293","","293","","0.282","","","","","","synthesised in the lab","5","C c c m","-C 2 2c","66","RbCuCo","rubidium copper hexacyanocobaltate","","- C5.52 Co0.92 Cu N5.52 Rb0.9 -","- C5.52 Co0.92 Cu N5.52 Rb0.9 -","- C22.08 Co3.68 Cu4 N22.08 Rb3.6 -","4","0.25","","Boström, Hanna L B; Cairns, Andrew B.; Chen, Muzi; Daisenberger, Dominik; Ridley, Christopher J.; Funnell, Nicholas P.","The pressure response of Jahn-Teller-distorted Prussian blue analogues.","Chemical science","2024","15","9","3155","3164","10.1039/d3sc06912e","powder diffraction","","","Neutron","","","","","","","","","1.27981","0.00628","","","","","","","has coordinates","290045","2024-03-04","02:10:14",""
"1571099","7.1046","0.0002","7.1046","0.0002","10.8768","0.0005","90","","90","","90","","549.01","0.03","293","","293","","0.096","","","","","","synthesised in the lab","5","I -4 m 2","I -4 -2","119","CsCuCo","cesium copper hexacyanocobaltate","","- C5.7 Co0.95 Cs0.857 Cu N5.7 -","- C5.7 Co0.95 Cs0.857 Cu N5.7 -","- C11.4 Co1.9 Cs1.714 Cu2 N11.4 -","2","0.125","","Boström, Hanna L B; Cairns, Andrew B.; Chen, Muzi; Daisenberger, Dominik; Ridley, Christopher J.; Funnell, Nicholas P.","The pressure response of Jahn-Teller-distorted Prussian blue analogues.","Chemical science","2024","15","9","3155","3164","10.1039/d3sc06912e","powder diffraction","","0.3757","synchrotron","","","","","","","","","2.37304","0.14728","","","","","","","has coordinates","290046","2024-03-04","02:10:27",""
"1571100","13.3713","0.0005","6.2669","0.0003","18.6934","0.0006","90","","91.481","0.002","90","","1565.92","0.11","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","7,7-Difluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[3.5]nonan-1-one","","- C15 H23 B F2 O3 -","- C15 H23 B F2 O3 -","- C60 H92 B4 F8 O12 -","4","1","","Prysiazhniuk, Kateryna; Polishchuk, Oleksandr; Shulha, Stanislav; Gudzikevych, Kyrylo; Datsenko, Oleksandr P.; Kubyshkin, Vladimir; Mykhailiuk, Pavel K.","Borylated cyclobutanes <i>via</i> thermal [2 + 2]-cycloaddition.","Chemical science","2024","15","9","3249","3254","10.1039/d3sc06600b","","","0.71073","MoKα","","0.1044","0.0812","","","0.1906","0.2","","","","","","1.159","","","","has coordinates","290048","2024-03-04","02:11:46",""
"1571101","6.1465","0.0009","8.6888","0.0012","14.071","0.002","102.121","0.009","90.881","0.011","90.055","0.01","734.63","0.18","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","(2r,3r)-3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(thiophen-3-yl)cyclobutanone","","- C14 H19 B O3 S -","- C14 H19 B O3 S -","- C28 H38 B2 O6 S2 -","2","1","","Prysiazhniuk, Kateryna; Polishchuk, Oleksandr; Shulha, Stanislav; Gudzikevych, Kyrylo; Datsenko, Oleksandr P.; Kubyshkin, Vladimir; Mykhailiuk, Pavel K.","Borylated cyclobutanes <i>via</i> thermal [2 + 2]-cycloaddition.","Chemical science","2024","15","9","3249","3254","10.1039/d3sc06600b","","","0.71073","MoKα","","0.1543","0.0706","","","0.1609","0.2018","","","","","","0.99","","","","has coordinates,has disorder","290048","2024-03-04","02:11:46",""
"1571102","10.847","0.004","6.213","0.002","11.06","0.003","90","","105.661","0.008","90","","717.7","0.4","273.15","","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-7-oxaspiro[3.5]nonan-1-one","","- C14 H23 B O4 -","- C14 H23 B O4 -","- C28 H46 B2 O8 -","2","1","","Prysiazhniuk, Kateryna; Polishchuk, Oleksandr; Shulha, Stanislav; Gudzikevych, Kyrylo; Datsenko, Oleksandr P.; Kubyshkin, Vladimir; Mykhailiuk, Pavel K.","Borylated cyclobutanes <i>via</i> thermal [2 + 2]-cycloaddition.","Chemical science","2024","15","9","3249","3254","10.1039/d3sc06600b","","","0.71073","MoKα","","0.1045","0.0972","","","0.2727","0.2817","","","","","","1.177","","","","has coordinates","290048","2024-03-04","02:11:47",""
"1571103","9.489","0.002","14.273","0.003","11.565","0.003","90","","107.466","0.015","90","","1494.1","0.6","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[3.3]heptan-1-one","","- C14 H23 B O3 -","- C14 H23 B O3 -","- C56 H92 B4 O12 -","4","1","","Prysiazhniuk, Kateryna; Polishchuk, Oleksandr; Shulha, Stanislav; Gudzikevych, Kyrylo; Datsenko, Oleksandr P.; Kubyshkin, Vladimir; Mykhailiuk, Pavel K.","Borylated cyclobutanes <i>via</i> thermal [2 + 2]-cycloaddition.","Chemical science","2024","15","9","3249","3254","10.1039/d3sc06600b","","","0.71073","MoKα","","0.1679","0.0829","","","0.2118","0.2449","","","","","","0.883","","","","has coordinates","290048","2024-03-04","02:11:47",""
"1571104","6.1342","0.0011","8.6448","0.0014","16.04","0.003","74.401","0.01","86.768","0.016","89.349","0.012","817.9","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","(2r,3r)-2-(4-Bromophenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclobutanone","","- C16 H20 B Br O3 -","- C16 H20 B Br O3 -","- C32 H40 B2 Br2 O6 -","2","1","","Prysiazhniuk, Kateryna; Polishchuk, Oleksandr; Shulha, Stanislav; Gudzikevych, Kyrylo; Datsenko, Oleksandr P.; Kubyshkin, Vladimir; Mykhailiuk, Pavel K.","Borylated cyclobutanes <i>via</i> thermal [2 + 2]-cycloaddition.","Chemical science","2024","15","9","3249","3254","10.1039/d3sc06600b","","","0.71073","MoKα","","0.1216","0.0768","","","0.2001","0.2234","","","","","","1.032","","","","has coordinates","290048","2024-03-04","02:11:47",""
"1571105","6.7371","0.0003","9.7392","0.0005","13.4409","0.0006","102.908","0.003","102.707","0.003","103.17","0.003","802.2","0.07","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[3.6]decan-1-one","","- C16 H27 B O3 -","- C16 H27 B O3 -","- C32 H54 B2 O6 -","2","1","","Prysiazhniuk, Kateryna; Polishchuk, Oleksandr; Shulha, Stanislav; Gudzikevych, Kyrylo; Datsenko, Oleksandr P.; Kubyshkin, Vladimir; Mykhailiuk, Pavel K.","Borylated cyclobutanes <i>via</i> thermal [2 + 2]-cycloaddition.","Chemical science","2024","15","9","3249","3254","10.1039/d3sc06600b","","","0.71073","MoKα","","0.058","0.0431","","","0.0975","0.1055","","","","","","1.035","","","","has coordinates","290048","2024-03-04","02:11:47",""
"1571106","6.9091","0.0009","16.369","0.002","15.729","0.002","90","","92.089","0.01","90","","1777.7","0.4","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[3.3]heptan-1-one","","- C19 H25 B O3 -","- C19 H25 B O3 -","- C76 H100 B4 O12 -","4","1","","Prysiazhniuk, Kateryna; Polishchuk, Oleksandr; Shulha, Stanislav; Gudzikevych, Kyrylo; Datsenko, Oleksandr P.; Kubyshkin, Vladimir; Mykhailiuk, Pavel K.","Borylated cyclobutanes <i>via</i> thermal [2 + 2]-cycloaddition.","Chemical science","2024","15","9","3249","3254","10.1039/d3sc06600b","","","0.71073","MoKα","","0.1627","0.0706","","","0.127","0.1608","","","","","","1.003","","","","has coordinates","290048","2024-03-04","02:11:47",""
"1571107","7.848","0.002","12.529","0.003","12.72","0.003","91.03","0.02","94.94","0.02","89.98","0.02","1245.9","0.5","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","μ-oxo-bis(phthalocyaninatogallium(III)","","- C32 H16 Ga N8 O0.5 -","- C32 H16 Ga N8 O0.5 -","- C64 H32 Ga2 N16 O -","2","1","","Zugenmaier, Peter","Crystal and Molecular Structures of Two Phthalocyanines, Chloro(phthalocyaninato)gallium(III) (ClGaPc) and µ-Oxobis(phthalocyaninato)gallium(III) (PcGaOGaPc)","Crystals","2024","14","2","182","","10.3390/cryst14020182","","","0.71073","MoKα","","0.0447","0.03","","","0.0701","0.0748","","","","","","1.038","","","","has coordinates","290294","2024-03-05","02:00:49",""
"1571108","11.9442","0.0009","15.5313","0.0009","15.9059","0.0012","90","","105.945","0.003","90","","2837.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 B Cu F4 N6 P -","- C28 H25 B Cu F4 N6 P -","- C112 H100 B4 Cu4 F16 N24 P4 -","4","1","","Castro, Jesús; Ferraro, Valentina; Bortoluzzi, Marco","Single-Crystal X-ray Structure Determination of Tris(pyrazol-1-yl)methane Triphenylphosphine Copper(I) Tetrafluoroborate, Hirshfeld Surface Analysis and DFT Calculations","Crystals","2024","14","2","162","","10.3390/cryst14020162","","","0.71073","MoKα","","0.0297","0.0272","","","0.0667","0.068","","","","","","1.062","","","","has coordinates","290295","2024-03-05","02:01:21",""
"1571109","10.918","0.0007","13.802","0.0007","6.521","0.0004","90","","100.154","0.002","90","","967.26","0.1","300","2","300","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Al F5 Fe H14 O7 -","- Al F5 Fe H14 O7 -","- Al4 F20 Fe4 H56 O28 -","4","0.5","","Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo","Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates","Crystals","2024","14","2","197","","10.3390/cryst14020197","","","0.71073","MoKα","","0.0505","0.0424","","","0.0955","0.0997","","","","","","1.085","","","","has coordinates","290296","2024-03-05","02:02:05",""
"1571110","10.8749","0.0016","13.7822","0.0016","6.4894","0.0008","90","","100.397","0.005","90","","956.7","0.2","300","2","300","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Al Co F5 H14 O7 -","- Al Co F5 H14 O7 -","- Al4 Co4 F20 H56 O28 -","4","0.5","","Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo","Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates","Crystals","2024","14","2","197","","10.3390/cryst14020197","","","0.71073","MoKα","","0.0466","0.0434","","","0.1006","0.1031","","","","","","1.111","","","","has coordinates","290296","2024-03-05","02:02:16",""
"1571111","10.788","0.0004","13.6952","0.0004","6.4554","0.0002","90","","100.151","0.0014","90","","938.82","0.05","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Al F5 H14 Ni O7 -","- Al F5 H14 Ni O7 -","- Al4 F20 H56 Ni4 O28 -","4","0.5","","Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo","Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates","Crystals","2024","14","2","197","","10.3390/cryst14020197","","","0.71073","MoKα","","0.0434","0.0407","","","0.0928","0.0945","","","","","","1.116","","","","has coordinates","290296","2024-03-05","02:02:19",""
"1571112","6.4864","0.0009","8.719","0.0011","8.7917","0.0011","103.834","0.003","96.364","0.003","95.4","0.003","476.05","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- Al F5 Fe H14 O7 -","- Al F5 Fe H14 O7 -","- Al2 F10 Fe2 H28 O14 -","2","1","","Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo","Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates","Crystals","2024","14","2","197","","10.3390/cryst14020197","","","0.71073","MoKα","","0.044","0.0425","","","0.1098","0.1133","","","","","","1.129","","","","has coordinates","290296","2024-03-05","02:02:29",""
"1571113","6.4434","0.0005","8.6691","0.0006","8.8031","0.0006","104.019","0.002","96.749","0.002","95.254","0.002","470.08","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- Al Co F5 H14 O7 -","- Al Co F5 H14 O7 -","- Al2 Co2 F10 H28 O14 -","2","1","","Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo","Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates","Crystals","2024","14","2","197","","10.3390/cryst14020197","","","0.71073","MoKα","","0.0364","0.0329","","","0.0714","0.0743","","","","","","1.148","","","","has coordinates","290296","2024-03-05","02:02:30",""
"1571114","6.4022","0.0006","8.5874","0.0007","8.7691","0.0007","104.255","0.003","96.638","0.003","94.816","0.003","460.96","0.07","101","2","101","2","","","","","","","","5","P -1","-P 1","2","","","","- Al F5 H14 Ni O7 -","- Al F5 H14 Ni O7 -","- Al2 F10 H28 Ni2 O14 -","2","1","","Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo","Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates","Crystals","2024","14","2","197","","10.3390/cryst14020197","","","0.71073","MoKα","","0.0548","0.0512","","","0.1377","0.1408","","","","","","1.121","","","","has coordinates","290296","2024-03-05","02:02:30",""
"1571115","5.214","0.0008","7.7014","0.0009","10.4275","0.0016","68.758","0.013","77.177","0.013","71.498","0.012","367.38","0.1","290","2","290","2","","","","","","","","6","P -1","-P 1","2","","","","- C H8 Mg N2 O7 S -","- C H8 Mg N2 O7 S -","- C2 H16 Mg2 N4 O14 S2 -","2","1","","Nikolova, Rositsa; Kostov-Kytin, Vladislav; Petrova, Nadia; Kossev, Krasimir; Titorenkova, Rositsa; Velyanova, Gergana","New Data on Crystal Phases in the System MgSO4–OC(NH2)2–H2O","Crystals","2024","14","3","227","","10.3390/cryst14030227","","x-ray","0.71073","MoKα","","0.0762","0.0673","","","0.1474","0.1511","","","","","","1.239","","","","has coordinates","290297","2024-03-05","02:02:50",""
"1571116","5.2452","0.0011","7.708","0.0014","10.23","0.002","90","","94.291","0.008","90","","412.44","0.14","290","2","290","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C H10 Mg N2 O8 S -","- C H10 Mg N2 O8 S -","- C2 H20 Mg2 N4 O16 S2 -","2","1","","Nikolova, Rositsa; Kostov-Kytin, Vladislav; Petrova, Nadia; Kossev, Krasimir; Titorenkova, Rositsa; Velyanova, Gergana","New Data on Crystal Phases in the System MgSO4–OC(NH2)2–H2O","Crystals","2024","14","3","227","","10.3390/cryst14030227","","","0.71073","MoKα","","0.0379","0.0371","","","0.0994","0.1003","","","","","","0.914","","","","has coordinates","290298","2024-03-05","02:03:01",""
"1571117","10.6791","0.0003","12.5175","0.0004","13.817","0.0004","81.202","0.002","84.247","0.002","82.229","0.002","1802.52","0.09","149.99","0.1","149.99","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H32 F6 Ir N4 O2 P -","- C34 H32 F6 Ir N4 O2 P -","- C68 H64 F12 Ir2 N8 O4 P2 -","2","1","","Fan, Jing-Yan; Yao, Su-Yang; Ye, Bao-Hui","In Situ Synthesis of Hexadentate Cyclometalated Ir(III) Complexes as Photocatalysts for the Oxidation of Sulfides into Sulfoxides in Water","Inorganics","2024","12","3","73","","10.3390/inorganics12030073","","","1.54184","CuKα","","0.0362","0.0329","","","0.0783","0.0807","","","","","","1.037","","","","has coordinates","290299","2024-03-05","04:53:08",""
"1571118","10.5816","0.0001","18.5399","0.0002","17.3118","0.0002","90","","90.374","0.001","90","","3396.19","0.06","149.98","0.1","149.98","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 F6 Ir N4 O2 P -","- C34 H28 F6 Ir N4 O2 P -","- C136 H112 F24 Ir4 N16 O8 P4 -","4","1","","Fan, Jing-Yan; Yao, Su-Yang; Ye, Bao-Hui","In Situ Synthesis of Hexadentate Cyclometalated Ir(III) Complexes as Photocatalysts for the Oxidation of Sulfides into Sulfoxides in Water","Inorganics","2024","12","3","73","","10.3390/inorganics12030073","","x-ray","1.54184","CuKα","","0.0533","0.0392","","","0.0958","0.1009","","","","","","1.062","","","","has coordinates","290300","2024-03-05","04:53:33",""
"1571119","8.3615","0.0003","10.698","0.0005","19.256","0.0007","76.136","0.004","84.487","0.003","77.048","0.003","1628.11","0.12","149.98","0.1","149.98","0.1","","","","","","","","6","P -1","-P 1","2","","F-yea","","- C32 H26 F8 Ir N4 P -","- C32 H26 F8 Ir N4 P -","- C64 H52 F16 Ir2 N8 P2 -","2","1","","Fan, Jing-Yan; Yao, Su-Yang; Ye, Bao-Hui","In Situ Synthesis of Hexadentate Cyclometalated Ir(III) Complexes as Photocatalysts for the Oxidation of Sulfides into Sulfoxides in Water","Inorganics","2024","12","3","73","","10.3390/inorganics12030073","","x-ray","1.54184","CuKα","","0.0395","0.0365","","","0.0902","0.093","","","","","","1.055","","","","has coordinates","290301","2024-03-05","04:53:46",""
"1571120","30.7102","0.0006","18.9149","0.0004","15.7234","0.0002","90","","90.301","0.001","90","","9133.3","0.3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C202 H222 Cl12 Fe8 Ir8 N8 O -","- C202 H222 Cl12 Fe8 Ir8 N8 O -","- C404 H444 Cl24 Fe16 Ir16 N16 O2 -","2","0.25","","Weigand, Stefan; Sünkel, Karlheinz","Chlorido-pentamethylcyclopentadienyl-[2-(2-pyridyl-кN)-ferrocenyl-кC]-iridium(III)","Molbank","2024","2024","1","M1770","","10.3390/M1770","","","0.71069","MoKα","","0.0434","0.0303","","","0.0734","0.0811","","","","","","1.029","","","","has coordinates","290302","2024-03-05","12:05:15",""
"1571121","10.4364","0.0003","13.7629","0.0004","21.5413","0.0005","90","","98.343","0.003","90","","3061.34","0.15","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H35 Cu F6 N9 P3 -","- C27 H35 Cu F6 N9 P3 -","- C108 H140 Cu4 F24 N36 P12 -","4","1","","Smoleński, Piotr; Śliwińska-Hill, Urszula; Kwiecień, Anna; Wolińska, Joanna; Poradowski, Dominik","Design, Synthesis, and Anti-Cancer Evaluation of Novel Water-Soluble Copper(I) Complexes Bearing Terpyridine and PTA Ligands","Molecules","2024","29","5","945","","10.3390/molecules29050945","","x-ray","1.54184","CuKα","","0.0359","0.0331","","","0.0861","0.0878","","","","","","1.058","","","","has coordinates","290303","2024-03-05","13:41:32",""
"1571122","12.249","0.0004","7.5386","0.0003","12.9332","0.0005","90","","102.563","0.001","90","","1165.66","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DMI-57","","","- C14 H10 O2 Se -","- C14 H10 O2 Se -","- C56 H40 O8 Se4 -","4","1","","Dumitraș, Darius; Gal, Emese; Silvestru, Cristian; Pop, Alexandra","Metal Complexes Containing Homoleptic Diorganoselenium(II) Ligands: Synthesis, Characterization and Investigation of Optical Properties.","Molecules (Basel, Switzerland)","2024","29","4","792","","10.3390/molecules29040792","","","0.71073","MoKα","","0.0379","0.0286","","","0.0663","0.0709","","","","","","1.044","","","","has coordinates","290304","2024-03-05","13:41:54",""
"1571123","13.7518","0.0006","19.5095","0.001","4.7253","0.0003","90","","90","","90","","1267.75","0.12","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C32 H20 N2 O4 Se -","- C32 H20 N2 O4 Se -","- C64 H40 N4 O8 Se2 -","2","0.5","","Dumitraș, Darius; Gal, Emese; Silvestru, Cristian; Pop, Alexandra","Metal Complexes Containing Homoleptic Diorganoselenium(II) Ligands: Synthesis, Characterization and Investigation of Optical Properties.","Molecules (Basel, Switzerland)","2024","29","4","792","","10.3390/molecules29040792","","","0.71073","MoKα","","0.0451","0.0325","","","0.0558","0.0598","","","","","","1.043","","","","has coordinates","290305","2024-03-05","13:42:08",""
"1571124","14.54","0.05","15.25","0.05","15.42","0.05","114.04","0.04","99.38","0.04","112.59","0.04","2668","15","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H64 Cl4 O10 -","- C56 H64 Cl4 O10 -","- C112 H128 Cl8 O20 -","2","1","","Li, Zunhua; Tan, Yingzi; Ding, Manhua; Tang, Linli; Zeng, Fei","Keto-Adamantane-Based Macrocycle Crystalline Supramolecular Assemblies Showing Selective Vapochromism to Tetrahydrofuran.","Molecules (Basel, Switzerland)","2024","29","3","719","","10.3390/molecules29030719","","","0.71073","MoKα","","0.2078","0.0908","","","0.24","0.3195","","","","","","0.951","","","","has coordinates","290306","2024-03-05","13:42:27",""
"1571125","18.227","0.005","18.218","0.005","19.01","0.005","90","","111.022","0.004","90","","5892","3","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C126 H124 Cl8 N4 O24 -","- C126 H124 Cl8 N4 O24 -","- C252 H248 Cl16 N8 O48 -","2","0.25","","Li, Zunhua; Tan, Yingzi; Ding, Manhua; Tang, Linli; Zeng, Fei","Keto-Adamantane-Based Macrocycle Crystalline Supramolecular Assemblies Showing Selective Vapochromism to Tetrahydrofuran.","Molecules (Basel, Switzerland)","2024","29","3","719","","10.3390/molecules29030719","","","0.71073","MoKα","","0.1149","0.0801","","","0.2302","0.2671","","","","","","1.041","","","","has coordinates,has disorder","290307","2024-03-05","13:42:52",""
"1571126","21.174","0.003","21.174","0.003","13.5099","0.0019","90","","90","","120","","5245.5","1.3","296.15","","296.15","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Mac","","- C54 H64 O8 -","- C54 H64 O8 -","- C162 H192 O24 -","3","0.5","","Li, Zunhua; Tan, Yingzi; Ding, Manhua; Tang, Linli; Zeng, Fei","Keto-Adamantane-Based Macrocycle Crystalline Supramolecular Assemblies Showing Selective Vapochromism to Tetrahydrofuran.","Molecules (Basel, Switzerland)","2024","29","3","719","","10.3390/molecules29030719","","","0.71073","MoKα","","0.1165","0.059","","","0.1418","0.167","","","","","","0.974","","","","has coordinates","290308","2024-03-05","13:43:07",""
"1571127","19.5688","0.0009","4.0772","0.0003","15.9523","0.0008","90","","104.783","0.005","90","","1230.64","0.13","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","1.54184","CuKα","","0.0695","0.0369","","","0.0763","0.1108","","","","","","1.0846","","","","has coordinates","290321","2024-03-05","20:38:47",""
"1571128","19.55","0.005","4.0396","0.0003","15.854","0.005","90","","104.96","0.04","90","","1209.6","0.5","298","2","298","2","","","140000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.227","0.0802","","","0.1594","0.2245","","","","","","0.997","","","","has coordinates","290321","2024-03-05","20:38:49",""
"1571129","19.561","0.008","4.001","0.0005","15.776","0.009","90","","105.08","0.06","90","","1192.2","0.9","298","2","298","2","","","250000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.2939","0.0655","","","0.0931","0.1488","","","","","","1.027","","","","has coordinates","290321","2024-03-05","20:38:49",""
"1571130","19.582","0.007","3.9289","0.0004","15.625","0.006","90","","105.3","0.05","90","","1159.5","0.7","298","2","298","2","","","480000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.1837","0.0614","","","0.128","0.1744","","","","","","1.007","","","","has coordinates","290321","2024-03-05","20:38:49",""
"1571131","19.581","0.006","3.9351","0.0005","15.64","0.007","90","","105.31","0.04","90","","1162.3","0.7","298","2","298","2","","","660000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.3008","0.0891","","","0.1829","0.2754","","","","","","0.97","","","","has coordinates","290321","2024-03-05","20:38:49",""
"1571132","19.604","0.005","3.8747","0.0003","15.531","0.004","90","","105.37","0.03","90","","1137.5","0.5","298","2","298","2","","","710000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.1674","0.0554","","","0.1101","0.1502","","","","","","1.078","","","","has coordinates","290321","2024-03-05","20:38:49",""
"1571133","19.612","0.005","3.8444","0.0003","15.462","0.004","90","","105.61","0.03","90","","1122.8","0.4","298","2","298","2","","","870000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.1777","0.0639","","","0.1282","0.177","","","","","","1.078","","","","has coordinates","290321","2024-03-05","20:38:49",""
"1571134","19.598","0.009","3.8374","0.0005","15.442","0.009","90","","105.76","0.07","90","","1117.7","0.9","298","2","298","2","","","1030000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.2159","0.0739","","","0.1011","0.1349","","","","","","1.031","","","","has coordinates","290321","2024-03-05","20:38:49",""
"1571135","19.631","0.005","3.7932","0.0003","15.352","0.004","90","","105.95","0.03","90","","1099.2","0.4","298","2","298","2","","","1320000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.2055","0.0616","","","0.1014","0.1384","","","","","","1.053","","","","has coordinates,has disorder","290321","2024-03-05","20:38:49",""
"1571136","19.635","0.003","3.7664","0.0002","15.296","0.003","90","","106.03","0.02","90","","1087.2","0.3","298","2","298","2","","","1540000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.162","0.0632","","","0.0851","0.1126","","","","","","1.059","","","","has coordinates,has disorder","290321","2024-03-05","20:38:50",""
"1571137","19.647","0.004","3.7198","0.0003","15.191","0.004","90","","106.21","0.03","90","","1066.1","0.4","298","2","298","2","","","1740000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.1554","0.0699","","","0.1377","0.1798","","","","","","1.033","","","","has coordinates,has disorder","290321","2024-03-05","20:38:50",""
"1571138","19.647","0.006","3.7375","0.0004","15.222","0.006","90","","106.12","0.04","90","","1073.8","0.6","298","2","298","2","","","1830000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.2104","0.0665","","","0.1012","0.1544","","","","","","1.047","","","","has coordinates,has disorder","290321","2024-03-05","20:38:50",""
"1571139","19.662","0.009","3.7264","0.0006","15.211","0.01","90","","106.16","0.07","90","","1070.5","1","298","2","298","2","","","1950000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.2318","0.0765","","","0.1312","0.1944","","","","","","1.032","","","","has coordinates,has disorder","290321","2024-03-05","20:38:50",""
"1571140","19.648","0.017","3.7139","0.0011","15.171","0.017","90","","106.08","0.12","90","","1063.7","1.7","298","2","298","2","","","2100000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.2259","0.0785","","","0.1641","0.2363","","","","","","0.974","","","","has coordinates,has disorder","290321","2024-03-05","20:38:50",""
"1571141","19.67","0.005","3.6881","0.0003","15.112","0.005","90","","106.48","0.04","90","","1051.3","0.5","298","2","298","2","","","2190000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.245","0.0925","","","0.1432","0.2146","","","","","","1.095","","","","has coordinates,has disorder","290321","2024-03-05","20:38:50",""
"1571142","19.687","0.013","3.6609","0.0007","15.043","0.013","90","","106.48","0.09","90","","1039.6","1.2","298","2","298","2","","","2470000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.2347","0.0735","","","0.0751","0.111","","","","","","1.008","","","","has coordinates,has disorder","290321","2024-03-05","20:38:50",""
"1571143","8.412","0.004","7.9665","0.0011","15.576","0.009","90","","103.33","0.06","90","","1015.7","0.8","298","5","298","5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-bipyridine hydrogen malonate","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","1","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.1954","0.0617","","","0.1093","0.1621","","","","","","1.023","","","","has coordinates","290321","2024-03-05","20:38:50",""
"1571144","8.438","0.006","7.9032","0.0014","15.425","0.01","90","","103.18","0.08","90","","1001.6","1","298","2","298","2","","","3040000","20000","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-bipyridine hydrogen malonate","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","1","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.2782","0.064","","","0.0942","0.162","","","","","","0.911","","","","has coordinates","290321","2024-03-05","20:38:50",""
"1571145","8.4","0.01","7.886","0.003","15.389","0.019","90","","103.93","0.14","90","","989.4","1.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-bipyridine malonate","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","1","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.2481","0.095","","","0.1442","0.2162","","","","","","1.017","","","","has coordinates","290321","2024-03-05","20:38:50",""
"1571146","11.8607","0.0003","11.8607","0.0003","39.8339","0.0019","90","","90","","90","","5603.7","0.3","130","","130","","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C48 H40 F20 Mn O4 P2 Te4 -","- C48 H40 F20 Mn O4 P2 Te4 -","- C192 H160 F80 Mn4 O16 P8 Te16 -","4","0.25","","Pérez-Bitrián, Alberto; Munárriz, Julen; Krause, Konstantin B.; Schlögl, Johanna; Hoffmann, Kurt F.; Sturm, Johanna S.; Hadi, Amiera N.; Teutloff, Christian; Wiesner, Anja; Limberg, Christian; Riedel, Sebastian","Questing for homoleptic mononuclear manganese complexes with monodentate O-donor ligands.","Chemical science","2024","15","15","5564","5572","10.1039/d4sc00543k","","","0.71073","MoKα","","0.0393","0.0299","","","0.0644","0.0712","","","","","","1.133","","","","has coordinates","291585","2024-05-05","01:59:47",""
"1571147","4.9523","0.0002","9.0139","0.0004","14.5673","0.0007","100.404","0.002","92.408","0.002","94.706","0.002","636.36","0.05","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 Cl N2 O -","- C14 H17 Cl N2 O -","- C28 H34 Cl2 N4 O2 -","2","1","","Li, Jiaming; Ni, Hao; Zhang, Weiwei; Lai, Zhencheng; Jin, Huimin; Zeng, Linwei; Cui, Sunliang","A multicomponent reaction for modular assembly of indole-fused heterocycles","Chemical Science","2024","15","14","5211","5217","10.1039/D4SC00522H","","","0.71073","MoKα","","0.0368","0.0341","","","0.0874","0.09","","","","","","1.046","","","","has coordinates","290833","2024-04-04","22:40:24",""
"1571148","5.0074","0.0004","9.0205","0.0007","15.1568","0.0013","80.365","0.003","89.851","0.003","84.042","0.003","671.24","0.09","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 Cl N2 S -","- C14 H17 Cl N2 S -","- C28 H34 Cl2 N4 S2 -","2","1","","Li, Jiaming; Ni, Hao; Zhang, Weiwei; Lai, Zhencheng; Jin, Huimin; Zeng, Linwei; Cui, Sunliang","A multicomponent reaction for modular assembly of indole-fused heterocycles","Chemical Science","2024","15","14","5211","5217","10.1039/D4SC00522H","","","1.34139","GaKα","","0.0539","0.0491","","","0.125","0.1273","","","","","","1.14","","","","has coordinates","290833","2024-04-04","22:40:24",""
"1571149","11.4362","0.0006","11.6969","0.0006","10.4292","0.0006","90","","96.36","0.002","90","","1386.51","0.13","170","2","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Br Cl N2 O -","- C14 H15 Br Cl N2 O -","- C56 H60 Br4 Cl4 N8 O4 -","4","1","","Li, Jiaming; Ni, Hao; Zhang, Weiwei; Lai, Zhencheng; Jin, Huimin; Zeng, Linwei; Cui, Sunliang","A multicomponent reaction for modular assembly of indole-fused heterocycles","Chemical Science","2024","15","14","5211","5217","10.1039/D4SC00522H","","","0.71073","MoKα","","0.0302","0.0281","","","0.0707","0.0722","","","","","","1.027","","","","has coordinates","290833","2024-04-04","22:40:24",""
"1571150","8.3944","0.0008","9.3978","0.0008","20.419","0.002","90","","90","","90","","1610.8","0.3","170","2","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N2 O -","- C20 H22 N2 O -","- C80 H88 N8 O4 -","4","1","","Li, Jiaming; Ni, Hao; Zhang, Weiwei; Lai, Zhencheng; Jin, Huimin; Zeng, Linwei; Cui, Sunliang","A multicomponent reaction for modular assembly of indole-fused heterocycles","Chemical Science","2024","15","14","5211","5217","10.1039/D4SC00522H","","","1.54178","CuKα","","0.0432","0.0431","","","0.1051","0.1052","","","","","","1.187","","","","has coordinates","290833","2024-04-04","22:40:24",""
"1571151","14.3914","0.0001","14.9401","0.0001","33.6959","0.0002","90","","91.185","0.001","90","","7243.37","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","hydroquinone_PDI_macrocycle","","- C66.83 H62.68 Cl2.49 N8 O6 -","- C66.83 H62.68 Cl2.49 N8 O6 -","- C267.32 H250.72 Cl9.96 N32 O24 -","4","1","","Yeung, Angus; Zwijnenburg, Martijn A.; Orton, Georgia R. F.; Robertson, Jennifer H.; Barendt, Timothy A.","Investigating the diastereoselective synthesis of a macrocycle under Curtin-Hammett control.","Chemical science","2024","15","15","5516","5524","10.1039/d3sc05715a","","x-ray","1.54184","CuKα","","0.0882","0.0829","","","0.2357","0.2406","","","","","","1.014","","","","has coordinates,has disorder","291586","2024-05-05","02:01:03",""
"1571152","10.53","0.002","10.929","0.002","12.931","0.004","90","","96.525","0.004","90","","1478.5","0.6","200","2","200","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","2a in manuscript","","","- C26 H42 Cl2 N2 Si2 -","- C26 H42 Cl2 N2 Si2 -","- C52 H84 Cl4 N4 Si4 -","2","0.25","","Hüßler, Christopher; Dietl, Martin C.; Kahle, Justin; Lopes, Eric F.; Kawamura, Miku; Krämer, Petra; Rominger, Frank; Rudolph, Matthias; Hachiya, Iwao; Hashmi, A Stephen K","Synthesis and structural properties of <i>para</i>-diselenopyrazines.","Chemical communications (Cambridge, England)","2024","60","28","3786","3789","10.1039/d4cc00460d","","","0.71073","MoKα","","0.1221","0.0662","","","0.1013","0.1195","","","","","","1.028","","","","has coordinates","290805","2024-04-04","22:26:49",""
"1571153","8.833","0.011","4.114","0.005","14.134","0.017","90","","106.095","0.014","90","","493.5","1","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2c in manuscript","","","- C10 H6 Cl2 N2 -","- C10 H6 Cl2 N2 -","- C20 H12 Cl4 N4 -","2","0.5","","Hüßler, Christopher; Dietl, Martin C.; Kahle, Justin; Lopes, Eric F.; Kawamura, Miku; Krämer, Petra; Rominger, Frank; Rudolph, Matthias; Hachiya, Iwao; Hashmi, A Stephen K","Synthesis and structural properties of <i>para</i>-diselenopyrazines.","Chemical communications (Cambridge, England)","2024","60","28","3786","3789","10.1039/d4cc00460d","","","0.71073","MoKα","","0.1259","0.077","","","0.1903","0.2141","","","","","","1.038","","","","has coordinates","290805","2024-04-04","22:26:50",""
"1571154","4.1984","0.0007","8.1335","0.0012","12.0157","0.0018","90","","96.9877","0.0019","90","","407.26","0.11","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3b in manuscript","","","- C8 H4 N2 Se2 -","- C8 H4 N2 Se2 -","- C16 H8 N4 Se4 -","2","0.5","","Hüßler, Christopher; Dietl, Martin C.; Kahle, Justin; Lopes, Eric F.; Kawamura, Miku; Krämer, Petra; Rominger, Frank; Rudolph, Matthias; Hachiya, Iwao; Hashmi, A Stephen K","Synthesis and structural properties of <i>para</i>-diselenopyrazines.","Chemical communications (Cambridge, England)","2024","60","28","3786","3789","10.1039/d4cc00460d","","","0.71073","MoKα","","0.0302","0.0231","","","0.0559","0.0583","","","","","","1.106","","","","has coordinates","290805","2024-04-04","22:26:50",""
"1571155","14.408","0.0014","16.0163","0.0016","12.9816","0.0013","90","","97.694","0.002","90","","2968.7","0.5","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3a in manuscript","","","- C26 H44 N2 Se2 Si2 -","- C26 H44 N2 Se2 Si2 -","- C104 H176 N8 Se8 Si8 -","4","1","","Hüßler, Christopher; Dietl, Martin C.; Kahle, Justin; Lopes, Eric F.; Kawamura, Miku; Krämer, Petra; Rominger, Frank; Rudolph, Matthias; Hachiya, Iwao; Hashmi, A Stephen K","Synthesis and structural properties of <i>para</i>-diselenopyrazines.","Chemical communications (Cambridge, England)","2024","60","28","3786","3789","10.1039/d4cc00460d","","","0.71073","MoKα","","0.1335","0.0499","","","0.0794","0.0992","","","","","","0.993","","","","has coordinates","290805","2024-04-04","22:26:50",""
"1571156","4.7908","0.0006","9.1049","0.0013","15.3497","0.0018","75.701","0.004","89.134","0.003","80.513","0.003","639.7","0.14","200","2","200","2","","","","","","","","4","P -1","-P 1","2","3f in manuscript","","","- C30 H32 N2 Se2 -","- C30 H32 N2 Se2 -","- C30 H32 N2 Se2 -","1","0.5","","Hüßler, Christopher; Dietl, Martin C.; Kahle, Justin; Lopes, Eric F.; Kawamura, Miku; Krämer, Petra; Rominger, Frank; Rudolph, Matthias; Hachiya, Iwao; Hashmi, A Stephen K","Synthesis and structural properties of <i>para</i>-diselenopyrazines.","Chemical communications (Cambridge, England)","2024","60","28","3786","3789","10.1039/d4cc00460d","","","0.71073","MoKα","","0.0849","0.0474","","","0.0724","0.0822","","","","","","1.009","","","","has coordinates","290805","2024-04-04","22:26:50",""
"1571157","12.5967","0.0002","12.8747","0.0002","15.6198","0.0003","72.566","0.002","69.811","0.001","75.602","0.001","2238.3","0.07","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C102 H102 N6 O24 -","6","3","","Biswas, Soumen; Hughes, William B.; De Angelis, Luca; Haug, Graham C.; Trevino, Ramon; Fremin, Seth O.; Arman, Hadi D.; Larionov, Oleg V.; Doyle, Michael P.","The “cesium effect” magnified: exceptional chemoselectivity in cesium ion mediated nucleophilic reactions","Chemical Science","2024","15","14","5277","5283","10.1039/D4SC00316K","","x-ray","1.54184","CuKα","","0.0565","0.0512","","","0.1191","0.1228","","","","","","1.059","","","","has coordinates,has disorder","290835","2024-04-04","22:41:49",""
"1571158","13.83436","0.00015","11.10289","0.0001","20.5729","0.0002","90","","109.093","0.0012","90","","2986.18","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N2 O5 -","- C29 H26 N2 O5 -","- C116 H104 N8 O20 -","4","1","","Biswas, Soumen; Hughes, William B.; De Angelis, Luca; Haug, Graham C.; Trevino, Ramon; Fremin, Seth O.; Arman, Hadi D.; Larionov, Oleg V.; Doyle, Michael P.","The “cesium effect” magnified: exceptional chemoselectivity in cesium ion mediated nucleophilic reactions","Chemical Science","2024","15","14","5277","5283","10.1039/D4SC00316K","","x-ray","1.54184","CuKα","","0.0475","0.0438","","","0.1209","0.1244","","","","","","1.011","","","","has coordinates,has disorder","290835","2024-04-04","22:41:50",""
"1571159","15.6843","0.0002","6.33089","0.00007","15.89366","0.00018","90","","114.758","0.0015","90","","1433.11","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N O5 -","- C16 H15 N O5 -","- C64 H60 N4 O20 -","4","1","","Biswas, Soumen; Hughes, William B.; De Angelis, Luca; Haug, Graham C.; Trevino, Ramon; Fremin, Seth O.; Arman, Hadi D.; Larionov, Oleg V.; Doyle, Michael P.","The “cesium effect” magnified: exceptional chemoselectivity in cesium ion mediated nucleophilic reactions","Chemical Science","2024","15","14","5277","5283","10.1039/D4SC00316K","","x-ray","1.54184","CuKα","","0.038","0.0351","","","0.0915","0.0943","","","","","","1.056","","","","has coordinates","290835","2024-04-04","22:41:50",""
"1571160","14.9481","0.0016","14.9481","0.0016","7.3954","0.0011","90","","90","","120","","1431.1","0.3","99.99","","99.99","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Ba3 Cl P5 -","- Ba3 Cl P4.9995 -","- Ba18 Cl6 P29.997 -","6","0.166667","","Ishtiyak, Mohd; Samarakoon, S M Gayomi K; Kandabadage Don, Thimira; Watts, Spencer R.; Baranets, Sviatoslav","Novel ternary Zintl phosphide halides Ba<sub>3</sub>P<sub>5</sub>X (X = Cl, Br) with 1D helical phosphorus chains: synthesis, crystal and electronic structure.","Nanoscale","2024","16","16","7916","7925","10.1039/d3nr06492a","","","0.71073","MoKα","","0.0299","0.0246","","","0.04","0.0408","","","","","","1.211","","","","has coordinates","291663","2024-05-05","03:40:56",""
"1571161","15.045","0.004","15.045","0.004","7.537","0.003","90","","90","","120","","1477.5","0.8","99.99","","99.99","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Ba3 Br P5 -","- Ba3 Br P4.9995 -","- Ba18 Br6 P29.997 -","6","0.166667","","Ishtiyak, Mohd; Samarakoon, S M Gayomi K; Kandabadage Don, Thimira; Watts, Spencer R.; Baranets, Sviatoslav","Novel ternary Zintl phosphide halides Ba<sub>3</sub>P<sub>5</sub>X (X = Cl, Br) with 1D helical phosphorus chains: synthesis, crystal and electronic structure.","Nanoscale","2024","16","16","7916","7925","10.1039/d3nr06492a","","","0.71073","MoKα","","0.0659","0.0479","","","0.1056","0.1114","","","","","","1.086","","","","has coordinates","291663","2024-05-05","03:41:02",""
"1571162","21.1314","0.0012","20.6403","0.0011","25.9515","0.0014","90","","110.45","0.002","90","","10605.6","1","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C51 H116 Ag11 Cl4 F3 O19 P8 S17 -","- C51 H116 Ag11 Cl4 F3 O19 P8 S17 -","- C204 H464 Ag44 Cl16 F12 O76 P32 S68 -","4","1","","Yen, Wei-Jung; Liao, Jian-Hong; Chiu, Tzu-Hao; Chen, Jie-Ying; Chen, Yuan Jang; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Doping effect on a two-electron silver nanocluster.","Nanoscale","2024","16","14","7011","7018","10.1039/d4nr00326h","","","0.71073","MoKα","","0.0576","0.0426","","","0.1023","0.1128","","","","","","1.053","","","","has coordinates,has disorder","291009","2024-04-04","23:59:30",""
"1571163","20.052","0.0008","20.1859","0.0008","24.629","0.0009","94.177","0.002","107.105","0.002","103.932","0.002","9136.2","0.6","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C129.23 H188.77 Cl4.69 Cu29 O3 P4 S14.31 -","- C128.388 H186.872 Cl4.692 Cu29 O2.3667 P4 S14.0969 -","- C256.775 H373.744 Cl9.384 Cu58 O4.7334 P8 S28.1938 -","2","1","","Ghosh, Atanu; Sagadevan, Arunachalam; Murugesan, Kathiravan; Nastase, Stefan Adrian F.; Maity, Bholanath; Bodiuzzaman, Mohammad; Shkurenko, Aleksander; Hedhili, Mohamed Nejib; Yin, Jun; Mohammed, Omar F.; Eddaoudi, Mohamed; Cavallo, Luigi; Rueping, Magnus; Bakr, Osman M.","Multiple neighboring active sites of an atomically precise copper nanocluster catalyst for efficient bond-forming reactions.","Materials horizons","2024","11","10","2494","2505","10.1039/d4mh00098f","","","1.54178","CuKα","","0.064","0.0551","","","0.1582","0.17","","","","","","1.049","","","","has coordinates,has disorder","293297","2024-07-05","18:12:32",""
"1571166","9.955","0.0003","10.006","0.0003","11.332","0.0004","89.415","0.0014","78.013","0.0014","78.901","0.0014","1082.99","0.06","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","4-Fluoro-2-(phenylamino)benzoic acid","","- C13 H10 F N O2 -","- C13 H10 F N O2 -","- C52 H40 F4 N4 O8 -","4","2","HB4457","Li, Jingxi; Long, Sihui","4-Fluoro-2-(phenylamino)benzoic acid","IUCrData","2024","9","3","","","10.1107/S2414314624001974","","","0.71073","MoKα","","0.1177","0.0503","","","0.1068","0.1314","","","","","","0.944","","","","has coordinates","290376","2024-03-07","03:09:39",""
"1571167","5.3048","0.0003","5.3048","0.0003","11.4999","0.0009","90","","90","","90","","323.62","0.04","293","2","293","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","Neodymium(III) <i>ortho</i>-oxidotungstate(VI)","","- Nd0.67 O4 W -","- Nd0.6667 O4 W -","- Nd2.6668 O16 W4 -","4","0.25","WM4207","Knies, Benjamin; Hartenbach, Ingo","Crystal structure of defect scheelite-type Nd2/3[WO4]","IUCrData","2024","9","3","","","10.1107/S2414314624001755","","","0.71073","MoKα","","0.0331","0.0224","","","0.0476","0.0499","","","","","","1.008","","","","has coordinates","290377","2024-03-07","03:10:09",""
"1571168","9.1051","0.0013","10.665","0.002","16.688","0.003","90","","102.16","0.02","90","","1584.1","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>erythro</i>-{1-Bromo-1-[(1-phenylethyl)sulfonyl]ethyl}benzene","","- C16 H17 Br O2 S -","- C16 H17 Br O2 S -","- C64 H68 Br4 O8 S4 -","4","1","WM4209","Corfield, Peter W. R.","erythro-{1-Bromo-1-[(1-phenylethyl)sulfonyl]ethyl}benzene","IUCrData","2024","9","3","","","10.1107/S2414314624001895","","","1.5405","CuKα","","0.0505","0.0375","","","0.0948","0.1025","","","","","","1.033","","","","has coordinates","290378","2024-03-07","03:10:29",""
"1571169","11.5962","0.0004","18.4606","0.0005","7.8973","0.0002","90","","106.532","0.007","90","","1620.71","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[<i>S</i>-octyl 3-(2-methylpropylidene)dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>]nickel(II)","","- C26 H50 N4 Ni S4 -","- C26 H50 N4 Ni S4 -","- C52 H100 N8 Ni2 S8 -","2","0.5","WM4208","Khan, Sultana Shakila; Howlader, Md. Belayet Hossain; Sheikh, Md. Chanmiya; Miyatake, Ryuta; Zangrando, Ennio","Bis[S-octyl 3-(2-methylpropylidene)dithiocarbazato-κ2 N 3,S]nickel(II)","IUCrData","2024","9","3","","","10.1107/S241431462400186X","","","0.71075","MoKα","","0.0549","0.0359","","","0.0672","0.0723","","","","","","1.041","","","","has coordinates","290379","2024-03-07","03:10:43",""
"1571170","15.2054","0.0003","3.8818","0.0001","19.8109","0.0004","90","","107.039","0.001","90","","1118","0.04","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Bromo-2-(phenylamino)benzoic acid","","- C13 H10 Br N O2 -","- C13 H10 Br N O2 -","- C52 H40 Br4 N4 O8 -","4","1","HB4456","Kang, Liping; Long, Sihui","5-Bromo-2-(phenylamino)benzoic acid","IUCrData","2024","9","3","","","10.1107/S2414314624001986","","","0.71073","MoKα","","0.0472","0.0378","","","0.1163","0.1304","","","","","","1.207","","","","has coordinates","290380","2024-03-07","03:10:56",""
"1571171","8.3125","0.0001","18.9072","0.0004","15.7906","0.0003","90","","90.617","0.002","90","","2481.6","0.08","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>cis</i>,<i>cis</i>,<i>cis</i>-Dichloridobis(<i>N</i>^4^,<i>N</i>^4^-dimethylpyridin-4-amine-κ<i>N</i>^1^)bis(dimethyl sulfoxide-κ<i>S</i>)ruthenium(II)","","- C18 H32 Cl2 N4 O2 Ru S2 -","- C18 H32 Cl2 N4 O2 Ru S2 -","- C72 H128 Cl8 N16 O8 Ru4 S8 -","4","1","BH4082","Park, Esther H.; Ortiz, Sarah M.; Liang, Todd K.; Smucker, Bradley W.","cis,cis,cis-Dichloridobis(N 4,N 4-dimethylpyridin-4-amine-κN 1)bis(dimethyl sulfoxide-κS)ruthenium(II)","IUCrData","2024","9","3","","","10.1107/S2414314624001913","","","0.71073","MoKα","","0.0623","0.0484","","","0.135","0.1481","","","","","","1.085","","","","has coordinates,has disorder","290381","2024-03-07","03:11:13",""
"1571172","10.0902","0.001","20.276","0.002","14.0678","0.0015","90","","104.978","0.003","90","","2780.3","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H27 O2 P -","- C38 H27 O2 P -","- C152 H108 O8 P4 -","4","1","","Li, Yang; Yan, Xiao-Long; Hu, Li-Yan; Luo, Kai; Zhu, Jie; Wu, Lei","Pd-catalyzed divergent regioselective annulation of phosphinyl allenes accessing polyarylfurans and 2<i>H</i>-chromenes.","Chemical communications (Cambridge, England)","2024","60","28","3814","3817","10.1039/d3cc05974j","","","0.71073","MoKα","","0.077","0.0484","","","0.1093","0.1226","","","","","","1.026","","","","has coordinates","290796","2024-04-04","22:24:45",""
"1571173","8.9061","0.0016","10.4242","0.0018","14.312","0.003","74.291","0.005","76.463","0.005","86.731","0.005","1243.5","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H27 O4 P -","- C30 H27 O4 P -","- C60 H54 O8 P2 -","2","1","","Li, Yang; Yan, Xiao-Long; Hu, Li-Yan; Luo, Kai; Zhu, Jie; Wu, Lei","Pd-catalyzed divergent regioselective annulation of phosphinyl allenes accessing polyarylfurans and 2<i>H</i>-chromenes.","Chemical communications (Cambridge, England)","2024","60","28","3814","3817","10.1039/d3cc05974j","","","0.71073","MoKα","","0.1135","0.0708","","","0.1859","0.2153","","","","","","1.033","","","","has coordinates,has disorder","290796","2024-04-04","22:24:46",""
"1571174","8.7621","0.0008","10.6742","0.0011","16.727","0.0018","80.613","0.003","82.954","0.003","70.163","0.003","1448.1","0.3","273","2","273.15","","","","","","","","","3","P -1","-P 1","2","","","","- C45 H26 O -","- C45 H26 O -","- C90 H52 O2 -","2","1","","Yang, Guang; Zhao, Wen-Xuan; Cao, Jing-Yi; Xue, Zeng-Min; Lin, Hong-Tao; Chen, Shu-Hai; Yamato, Takehiko; Redshaw, Carl; Wang, Chuan-Zeng","Regulable high-contrast mechanofluorochromic enhancement behaviour based on substituent effects.","Chemical communications (Cambridge, England)","2024","60","29","3966","3969","10.1039/d4cc00476k","","","0.71073","MoKα","","0.0856","0.0466","","","0.1156","0.1295","","","","","","1.07","","","","has coordinates","291499","2024-05-05","00:39:19",""
"1571175","51.7208","0.0003","51.7208","0.0003","23.7243","0.0002","90","","90","","120","","54961","0.6","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C101 H132 Cu4 N4 O13 -","- C101 H132 Cu4 N4 O13 -","- C1818 H2376 Cu72 N72 O234 -","18","1","","Osei, Manasseh Kusi; Mirzaei, Saber; Mirzaei, M. Saeed; Valles, Agustin; Hernández Sánchez, Raúl","Reversible dioxygen uptake at [Cu4] clusters","Chemical Science","2024","15","14","5327","5332","10.1039/D3SC06390A","","x-ray","1.54184","CuKα","","0.1243","0.1012","","","0.3104","0.3408","","","","","","1.326","","","","has coordinates,has disorder","290834","2024-04-04","22:41:10",""
"1571176","14.3434","0.0003","18.4638","0.0005","19.1152","0.0005","107.861","0.002","104.915","0.002","94.308","0.002","4590.2","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C94 H115 Cu4 N5 O12.25 -","- C94 H115 Cu4 N5 O12.25 -","- C188 H230 Cu8 N10 O24.5 -","2","1","","Osei, Manasseh Kusi; Mirzaei, Saber; Mirzaei, M. Saeed; Valles, Agustin; Hernández Sánchez, Raúl","Reversible dioxygen uptake at [Cu4] clusters","Chemical Science","2024","15","14","5327","5332","10.1039/D3SC06390A","","x-ray","1.54184","CuKα","","0.1907","0.1052","","","0.2911","0.3509","","","","","","1.062","","","","has coordinates,has disorder","290834","2024-04-04","22:41:11",""
"1571177","7.0333","0.0003","11.0537","0.0005","15.3641","0.0007","79.685","0.002","85.884","0.002","82.938","0.002","1164.73","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H29 B N O8.5 -","- C22 H29 B N O8.5 -","- C44 H58 B2 N2 O17 -","2","1","","Rulli, Federica; Sanz-Liarte, Guillem; Roca, Pol; Martínez, Nina; Medina, Víctor; Puig de la Bellacasa, Raimon; Shafir, Alexandr; Cuenca, Ana B.","From propenolysis to enyne metathesis: tools for expedited assembly of 4<i>a</i>,8<i>a</i>-azaboranaphthalene and extended polycycles with embedded BN.","Chemical science","2024","15","15","5674","5680","10.1039/d3sc06676b","","","0.71073","MoKα","","0.1061","0.0726","","","0.1831","0.2026","","","","","","1.08","","","","has coordinates,has disorder","291580","2024-05-05","01:55:37",""
"1571178","7.7013","0.0003","13.3036","0.0006","14.8499","0.0006","68.809","0.002","86.831","0.002","82.254","0.002","1405.59","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H76 B2 N2 O18 -","- C56 H76 B2 N2 O18 -","- C56 H76 B2 N2 O18 -","1","0.5","","Rulli, Federica; Sanz-Liarte, Guillem; Roca, Pol; Martínez, Nina; Medina, Víctor; Puig de la Bellacasa, Raimon; Shafir, Alexandr; Cuenca, Ana B.","From propenolysis to enyne metathesis: tools for expedited assembly of 4<i>a</i>,8<i>a</i>-azaboranaphthalene and extended polycycles with embedded BN.","Chemical science","2024","15","15","5674","5680","10.1039/d3sc06676b","","","0.71073","MoKα","","0.0992","0.0649","","","0.1359","0.1505","","","","","","1.077","","","","has coordinates,has disorder","291580","2024-05-05","01:55:41",""
"1571179","10.2478","0.0006","19.9069","0.0014","35.264","0.002","90","","94.106","0.005","90","","7175.5","0.8","150","0.1","150.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H43 Fe O13 S32 -","- C53 H43 Fe O13 S32 -","- C212 H172 Fe4 O52 S128 -","4","0.5","","Blundell, Toby J.; Rusbridge, Elizabeth K.; Pemberton, Rebecca E.; Brannan, Michael J.; Morritt, Alexander L.; Ogar, Joseph O.; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku; Martin, Lee","Introduction of new guest molecules into BEDT-TTF radical-cation salts with tris(oxalato)ferrate","CrystEngComm","2024","26","14","1962","1975","10.1039/D4CE00099D","","","1.54184","CuKα","","0.1218","0.0862","","","0.2072","0.2425","","","","","","1.037","","","","has coordinates,has disorder","290893","2024-04-04","23:08:27",""
"1571180","10.3279","0.0003","20.0206","0.0005","35.3409","0.0009","90","","92.91","0.007","90","","7298","0.3","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H39 Fe O14 S32 -","- C52 H39 Fe O14 S32 -","- C208 H156 Fe4 O56 S128 -","4","0.5","","Blundell, Toby J.; Rusbridge, Elizabeth K.; Pemberton, Rebecca E.; Brannan, Michael J.; Morritt, Alexander L.; Ogar, Joseph O.; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku; Martin, Lee","Introduction of new guest molecules into BEDT-TTF radical-cation salts with tris(oxalato)ferrate","CrystEngComm","2024","26","14","1962","1975","10.1039/D4CE00099D","","","0.71075","MoKα","","0.054","0.0382","","","0.0849","0.0919","","","","","","1.019","","","","has coordinates,has disorder","290893","2024-04-04","23:08:27",""
"1571181","10.2331","0.001","11.1922","0.0009","35.2191","0.0014","89.485","0.005","86.524","0.006","62.861","0.009","3582.2","0.6","150","0.1","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C53 H41 Fe O14 S32 -","- C53 H41 Fe O14 S32 -","- C106 H82 Fe2 O28 S64 -","2","1","","Blundell, Toby J.; Rusbridge, Elizabeth K.; Pemberton, Rebecca E.; Brannan, Michael J.; Morritt, Alexander L.; Ogar, Joseph O.; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku; Martin, Lee","Introduction of new guest molecules into BEDT-TTF radical-cation salts with tris(oxalato)ferrate","CrystEngComm","2024","26","14","1962","1975","10.1039/D4CE00099D","","","1.54184","CuKα","","0.1749","0.1359","","","0.3833","0.4348","","","","","","1.514","","","","has coordinates,has disorder","290893","2024-04-04","23:08:27",""
"1571182","11.1233","0.0002","11.5487","0.0002","35.1801","0.0006","89.381","0.006","85.771","0.006","69.934","0.005","4232.83","0.19","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H44 Fe O14 S40 -","- C58 H50 Fe O15 S40 -","- C116 H100 Fe2 O30 S80 -","2","1","","Blundell, Toby J.; Rusbridge, Elizabeth K.; Pemberton, Rebecca E.; Brannan, Michael J.; Morritt, Alexander L.; Ogar, Joseph O.; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku; Martin, Lee","Introduction of new guest molecules into BEDT-TTF radical-cation salts with tris(oxalato)ferrate","CrystEngComm","2024","26","14","1962","1975","10.1039/D4CE00099D","","","0.71075","MoKα","","0.0844","0.0595","","","0.1699","0.1863","","","","","","1.041","","","","has coordinates","290893","2024-04-04","23:08:27",""
"1571183","24.9368","0.0006","19.4844","0.0003","31.8267","0.001","90","","108.849","0.003","90","","14634.6","0.7","293","2","293","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C50 H37 Fe O12 S32 -","- C50 H37 Fe O12 S32 -","- C400 H296 Fe8 O96 S256 -","8","2","","Blundell, Toby J.; Rusbridge, Elizabeth K.; Pemberton, Rebecca E.; Brannan, Michael J.; Morritt, Alexander L.; Ogar, Joseph O.; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku; Martin, Lee","Introduction of new guest molecules into BEDT-TTF radical-cation salts with tris(oxalato)ferrate","CrystEngComm","2024","26","14","1962","1975","10.1039/D4CE00099D","","","1.54184","CuKα","","0.1527","0.0706","","","0.1774","0.2294","","","","","","0.962","","","","has coordinates,has disorder","290893","2024-04-04","23:08:27",""
"1571184","20.98915","0.00015","17.36611","0.00009","20.56133","0.00013","90","","110.078","0.0008","90","","7039.14","0.08","169.99","0.1","169.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C86 H72 Br2 N2 Ni -","- C86 H72 Br2 N2 Ni -","- C344 H288 Br8 N8 Ni4 -","4","1","","Saeed, Hassan; Mahmood, Qaiser; Yuan, Rongyan; Wang, Yizhou; Zou, Song; Tahir, Kainat Fatima; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","High-performance polyethylene elastomers using a hybrid steric approach in α-diimine nickel precatalysts","Polymer Chemistry","2024","15","14","1437","1452","10.1039/D4PY00061G","","x-ray","1.54184","CuKα","","0.0604","0.0578","","","0.2423","0.2479","","","","","","1.175","","","","has coordinates","291070","2024-04-05","00:18:24",""
"1571185","28.8212","0.0018","10.4943","0.0004","30.215","0.002","90","","118.38","0.008","90","","8040.4","1","170","0.1","170","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C100 H100 Br2 N2 Ni -","- C100 H100 Br2 N2 Ni -","- C400 H400 Br8 N8 Ni4 -","4","1","","Saeed, Hassan; Mahmood, Qaiser; Yuan, Rongyan; Wang, Yizhou; Zou, Song; Tahir, Kainat Fatima; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","High-performance polyethylene elastomers using a hybrid steric approach in α-diimine nickel precatalysts","Polymer Chemistry","2024","15","14","1437","1452","10.1039/D4PY00061G","","x-ray","0.71073","MoKα","","0.2209","0.1353","","","0.2532","0.2861","","","","","","1.167","","","","has coordinates,has disorder","291070","2024-04-05","00:18:25",""
"1571186","21.2367","0.0002","17.34528","0.00014","20.7624","0.0002","90","","109.538","0.0011","90","","7207.59","0.12","169.99","0.1","169.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C88 H76 Br2 N2 Ni -","- C88 H76 Br2 N2 Ni -","- C352 H304 Br8 N8 Ni4 -","4","1","","Saeed, Hassan; Mahmood, Qaiser; Yuan, Rongyan; Wang, Yizhou; Zou, Song; Tahir, Kainat Fatima; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","High-performance polyethylene elastomers using a hybrid steric approach in α-diimine nickel precatalysts","Polymer Chemistry","2024","15","14","1437","1452","10.1039/D4PY00061G","","x-ray","1.54184","CuKα","","0.0545","0.0505","","","0.1491","0.1521","","","","","","1.029","","","","has coordinates","291070","2024-04-05","00:18:25",""
"1571187","8.2168","0.0012","12.1811","0.0018","28.132","0.004","90","","93.702","0.005","90","","2809.8","0.7","273.15","","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N2 O4 S2 -","- C30 H28 N2 O4 S2 -","- C120 H112 N8 O16 S8 -","4","1","","Sun, Haoyany; Pan, Junhong; Zhao, Wenying; Zhou, Tong; Song, Xizhong; Lin, Jun; Jin, Yi","Scandium-catalyzed chemoselective carbene insertion into N-H over S-H: access to <i>o</i>-alkylamine-diaryl disulfides.","Chemical communications (Cambridge, England)","2024","60","28","3798","3801","10.1039/d4cc00557k","","x-ray","0.71073","MoKα","","0.199","0.111","","","0.1506","0.172","","","","","","1.092","","","","has coordinates","290800","2024-04-04","22:25:38",""
"1571188","14.474","0.0012","12.9605","0.001","14.8707","0.0012","90","","110.226","0.002","90","","2617.6","0.4","273.15","","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H32 N2 O2 -","- C33 H32 N2 O2 -","- C132 H128 N8 O8 -","4","1","","Xu, Lihua; Zhao, Jiang","Bromine atom introduction improves the F<sup>-</sup> sensing ability of an indolo[3,2-<i>b</i>]carbazole-salicylaldehyde-based fluorescence turn-on sensor.","Chemical communications (Cambridge, England)","2024","60","28","3830","3833","10.1039/d3cc05991j","","","0.71073","MoKα","","0.1327","0.1003","","","0.2412","0.2791","","","","","","1.027","","","","has coordinates","290803","2024-04-04","22:26:26",""
"1571189","6.148","0.0004","11.2791","0.0007","8.6416","0.0006","90","","98.935","0.006","90","","591.97","0.07","94","0.1","94","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","Di-tert-butyldiphosphatetrahedrane","","","- C10 H18 P2 -","- C10 H18 P2 -","- C20 H36 P4 -","2","1","","Hierlmeier, Gabriele; Kutta, Roger Jan; Coburger, Peter; Stammler, Hans-Georg; Schwabedissen, Jan; Mitzel, Norbert W.; Dimitrova, Maria; Berger, Raphael J. F.; Nuernberger, Patrick; Wolf, Robert","Structure and photochemistry of di-<i>tert</i>-butyldiphosphatetrahedrane.","Chemical science","2024","15","15","5596","5603","10.1039/d4sc00936c","","","0.71073","MoKα","","0.0369","0.027","","","0.0542","0.0555","","","","","","0.839","","","","has coordinates","291588","2024-05-05","02:02:16",""
"1571190","7.7927","0.0001","27.0421","0.0003","26.5278","0.0002","90","","96.253","0.001","90","","5556.97","0.1","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H83 N3 O6 P6 -","- C51 H83 N3 O6 P6 -","- C204 H332 N12 O24 P24 -","4","1","","Hierlmeier, Gabriele; Kutta, Roger Jan; Coburger, Peter; Stammler, Hans-Georg; Schwabedissen, Jan; Mitzel, Norbert W.; Dimitrova, Maria; Berger, Raphael J. F.; Nuernberger, Patrick; Wolf, Robert","Structure and photochemistry of di-<i>tert</i>-butyldiphosphatetrahedrane.","Chemical science","2024","15","15","5596","5603","10.1039/d4sc00936c","","x-ray","1.54184","CuKα","","0.0431","0.039","","","0.1015","0.1041","","","","","","1.057","","","","has coordinates","291588","2024-05-05","02:02:20",""
"1571191","14.7865","0.0005","10.4516","0.0003","13.5026","0.0003","90","","90","","90","","2086.73","0.1","99.96","0.18","99.96","0.18","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H34 Co N O P -","- C22 H34 Co N O P -","- C88 H136 Co4 N4 O4 P4 -","4","1","","Höeg, Finn; Luxenberger, Lea; Fedulin, Andrey; Jacobi von Wangelin, Axel","Cobalt-catalyzed double hydroboration of pyridines","Chemical Science","2024","15","14","5201","5210","10.1039/D3SC05418G","","x-ray","0.71073","MoKα","","0.0596","0.0531","","","0.1122","0.1171","","","","","","1.064","","","","has coordinates","290875","2024-04-04","23:02:12",""
"1571192","14.1533","0.0004","6.0972","0.0002","15.4812","0.0004","90","","100.501","0.002","90","","1313.58","0.07","99.95","0.13","99.95","0.13","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H19 N O2 -","- C15 H19 N O2 -","- C60 H76 N4 O8 -","4","1","","Höeg, Finn; Luxenberger, Lea; Fedulin, Andrey; Jacobi von Wangelin, Axel","Cobalt-catalyzed double hydroboration of pyridines","Chemical Science","2024","15","14","5201","5210","10.1039/D3SC05418G","","","1.54184","CuKα","","0.0656","0.0627","","","0.1533","0.1588","","","","","","1.059","","","","has coordinates","290875","2024-04-04","23:02:13",""
"1571193","8.5688","0.0005","12.8423","0.0005","13.3857","0.0005","100.81","0.003","95.593","0.004","92.022","0.004","1437.81","0.12","99.97","0.13","99.97","0.13","","","","","","","","7","P -1","-P 1","2","","","","- C28 H46 B Co N O3 P -","- C28 H46 B Co N O3 P -","- C56 H92 B2 Co2 N2 O6 P2 -","2","1","","Höeg, Finn; Luxenberger, Lea; Fedulin, Andrey; Jacobi von Wangelin, Axel","Cobalt-catalyzed double hydroboration of pyridines","Chemical Science","2024","15","14","5201","5210","10.1039/D3SC05418G","","","1.54184","CuKα","","0.0611","0.0561","","","0.1494","0.1588","","","","","","1.112","","","","has coordinates","290875","2024-04-04","23:02:13",""
"1571194","22.308","0.0005","9.2019","0.0002","22.7534","0.0005","90","","95.001","0.002","90","","4652.95","0.18","99.94","0.17","99.94","0.17","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H38 Co N O P -","- C24 H38 Co N O P -","- C192 H304 Co8 N8 O8 P8 -","8","2","","Höeg, Finn; Luxenberger, Lea; Fedulin, Andrey; Jacobi von Wangelin, Axel","Cobalt-catalyzed double hydroboration of pyridines","Chemical Science","2024","15","14","5201","5210","10.1039/D3SC05418G","","x-ray","1.54184","CuKα","","0.0663","0.057","","","0.1529","0.1634","","","","","","1.085","","","","has coordinates","290875","2024-04-04","23:02:13",""
"1571195","16.4812","0.0005","8.4448","0.0002","28.0381","0.0008","90","","103.883","0.003","90","","3788.36","0.19","99.92","0.18","99.92","0.18","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H63 B Co2 N O3 P -","- C38 H63 B Co2 N O3 P -","- C152 H252 B4 Co8 N4 O12 P4 -","4","1","","Höeg, Finn; Luxenberger, Lea; Fedulin, Andrey; Jacobi von Wangelin, Axel","Cobalt-catalyzed double hydroboration of pyridines","Chemical Science","2024","15","14","5201","5210","10.1039/D3SC05418G","","x-ray","0.71073","MoKα","","0.0583","0.0489","","","0.1291","0.1352","","","","","","1.1","","","","has coordinates","290875","2024-04-04","23:02:13",""
"1571196","12.7059","0.0003","10.7086","0.0002","12.8648","0.0002","90","","92.7679","0.0018","90","","1748.37","0.06","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Compound_13","Compound_13","","- C21 H20 N3 P -","- C21 H20 N3 P -","- C84 H80 N12 P4 -","4","1","","Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.","Electrosynthesis of iminophosphoranes and applications in nickel catalysis.","Chemical science","2024","15","16","5980","5992","10.1039/d3sc05357a","","x-ray","1.54184","CuKα","","0.0435","0.0401","","","0.1046","0.107","","","","","","1.064","","","","has coordinates","291567","2024-05-05","01:39:11",""
"1571197","24.4855","0.0004","24.4855","0.0004","11.1476","0.0002","90","","90","","120","","5788.02","0.17","100","0.1","100","0.1","","","","","","","","5","R -3 :H","-R 3","148","Compound_26","Compound_26","","- C14 H14 N2 O P -","- C14 H14 N2 O P -","- C252 H252 N36 O18 P18 -","18","1","","Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.","Electrosynthesis of iminophosphoranes and applications in nickel catalysis.","Chemical science","2024","15","16","5980","5992","10.1039/d3sc05357a","","x-ray","1.54184","CuKα","","0.0445","0.0421","","","0.1208","0.1229","","","","","","1.102","","","","has coordinates","291567","2024-05-05","01:39:17",""
"1571198","15.3525","0.0002","9.81549","0.00015","17.346","0.0002","90","","98.1105","0.0013","90","","2587.76","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Compound_22","Compound_22","","- C30 H33 N4 P -","- C30 H33 N4 P -","- C120 H132 N16 P4 -","4","1","","Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.","Electrosynthesis of iminophosphoranes and applications in nickel catalysis.","Chemical science","2024","15","16","5980","5992","10.1039/d3sc05357a","","x-ray","1.54184","CuKα","","0.037","0.0334","","","0.0847","0.0877","","","","","","1.048","","","","has coordinates","291567","2024-05-05","01:39:17",""
"1571199","9.1045","0.0001","26.3845","0.0003","9.3517","0.0001","90","","93.698","0.001","90","","2241.77","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","Compound_36","Compound_36","","- C54 H48 N4 P4 -","- C54 H48 N4 P4 -","- C108 H96 N8 P8 -","2","1","","Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.","Electrosynthesis of iminophosphoranes and applications in nickel catalysis.","Chemical science","2024","15","16","5980","5992","10.1039/d3sc05357a","","x-ray","1.54184","CuKα","","0.0526","0.0512","","","0.1582","0.1597","","","","","","1.083","","","","has coordinates","291567","2024-05-05","01:39:18",""
"1571200","17.814","0.0003","14.2764","0.0002","14.7633","0.0002","90","","107.84","0.002","90","","3574.06","0.1","297.42","0.1","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N4 P -","- C20 H17 N4 P -","- C160 H136 N32 P8 -","8","2","","Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.","Electrosynthesis of iminophosphoranes and applications in nickel catalysis.","Chemical science","2024","15","16","5980","5992","10.1039/d3sc05357a","","x-ray","1.54184","CuKα","","0.0428","0.0367","","","0.1047","0.1099","","","","","","1.061","","","","has coordinates,has disorder","291567","2024-05-05","01:39:18",""
"1571201","9.39428","0.00009","11.00098","0.00013","20.6966","0.0002","90","","90","","90","","2138.92","0.04","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 N3 O P -","- C25 H24 N3 O P -","- C100 H96 N12 O4 P4 -","4","1","","Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.","Electrosynthesis of iminophosphoranes and applications in nickel catalysis.","Chemical science","2024","15","16","5980","5992","10.1039/d3sc05357a","","x-ray","1.54184","CuKα","","0.0263","0.0257","","","0.0644","0.0649","","","","","","1.04","","","","has coordinates","291567","2024-05-05","01:39:18",""
"1571202","12.0937","0.0003","27.134","0.0006","15.1168","0.0003","90","","104.658","0.002","90","","4799.14","0.19","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","mds322","","- C49 H40 Br4 N9 Ni2 O P2 -","- C49 H40 Br4 N9 Ni2 O P2 -","- C196 H160 Br16 N36 Ni8 O4 P8 -","4","1","","Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.","Electrosynthesis of iminophosphoranes and applications in nickel catalysis.","Chemical science","2024","15","16","5980","5992","10.1039/d3sc05357a","","x-ray","0.71073","MoKα","","0.0663","0.0497","","","0.1131","0.1196","","","","","","1.056","","","","has coordinates,has disorder","291567","2024-05-05","01:39:18",""
"1571203","10.0468","0.0002","10.5532","0.0002","11.2334","0.0002","81.121","0.002","72.014","0.002","84.044","0.002","1117.26","0.04","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","Compound35","Compound35","","- C27 H24 N2 O P2 -","- C27 H24 N2 O P2 -","- C54 H48 N4 O2 P4 -","2","1","","Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.","Electrosynthesis of iminophosphoranes and applications in nickel catalysis.","Chemical science","2024","15","16","5980","5992","10.1039/d3sc05357a","","x-ray","1.54184","CuKα","","0.036","0.034","","","0.0866","0.0879","","","","","","1.074","","","","has coordinates","291567","2024-05-05","01:39:18",""
"1571204","12.0258","0.0001","17.4694","0.0001","19.0196","0.0001","90","","102.948","0.001","90","","3894.11","0.05","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","Compound_31","Compound_31","","- C35.2 H31.2 N4.8 O2 P1.6 -","- C35.2 H31.2 N4.8 O2 P1.6 -","- C176 H156 N24 O10 P8 -","5","2.5","","Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.","Electrosynthesis of iminophosphoranes and applications in nickel catalysis.","Chemical science","2024","15","16","5980","5992","10.1039/d3sc05357a","","x-ray","1.54184","CuKα","","0.0307","0.0302","","","0.0822","0.0826","","","","","","1.028","","","","has coordinates","291567","2024-05-05","01:39:18",""
"1571205","9.683","0.0008","38.907","0.004","13.2918","0.0011","90","","106.154","0.004","90","","4809.8","0.8","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H56 Cl12 N2 O P2 Ti2 -","- C32 H56 Cl12 N2 O P2 Ti2 -","- C128 H224 Cl48 N8 O4 P8 Ti8 -","4","1","","Kounalis, Errikos; van Tongeren, Dylan; Melnikov, Stanislav; Lutz, Martin; Broere, Daniël L J","Pendulum-like hemilability in a Ti-based frustrated Lewis Trio.","Chemical science","2024","15","15","5555","5563","10.1039/d3sc06789k","","","0.71073","MoKα","","0.19","0.1107","","","0.2692","0.3155","","","","","","1.047","","","","has coordinates,has disorder","291584","2024-05-05","01:59:09",""
"1571206","16.8812","0.0014","16.61","0.0011","15.6315","0.0009","90","","111.688","0.003","90","","4072.7","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H59 Cl4 N2 P2 Ti -","- C34 H59 Cl4 N2 P2 Ti -","- C136 H236 Cl16 N8 P8 Ti4 -","4","1","","Kounalis, Errikos; van Tongeren, Dylan; Melnikov, Stanislav; Lutz, Martin; Broere, Daniël L J","Pendulum-like hemilability in a Ti-based frustrated Lewis Trio.","Chemical science","2024","15","15","5555","5563","10.1039/d3sc06789k","","","0.71073","MoKα","","0.1489","0.0715","","","0.1625","0.1987","","","","","","1.02","","","","has coordinates,has disorder","291584","2024-05-05","01:59:14",""
"1571207","15.1125","0.0003","20.187","0.0005","27.1948","0.0006","90","","90","","90","","8296.5","0.3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C31 H56 Au2 Cl6 N2 P2 Ti -","- C31 H56 Au2 Cl6 N2 P2 Ti -","- C248 H448 Au16 Cl48 N16 P16 Ti8 -","8","1","","Kounalis, Errikos; van Tongeren, Dylan; Melnikov, Stanislav; Lutz, Martin; Broere, Daniël L J","Pendulum-like hemilability in a Ti-based frustrated Lewis Trio.","Chemical science","2024","15","15","5555","5563","10.1039/d3sc06789k","","","0.71073","MoKα","","0.0669","0.0373","","","0.0739","0.083","","","","","","1.03","","","","has coordinates","291584","2024-05-05","01:59:14",""
"1571208","12.8524","0.0003","18.0304","0.0007","21.306","0.0006","102.735","0.001","104.569","0.001","105.177","0.001","4389.9","0.2","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C86 H84 B Cl3 F24 N2 O P2 Ti -","- C86 H84 B Cl3 F24 N2 O P2 Ti -","- C172 H168 B2 Cl6 F48 N4 O2 P4 Ti2 -","2","1","","Kounalis, Errikos; van Tongeren, Dylan; Melnikov, Stanislav; Lutz, Martin; Broere, Daniël L J","Pendulum-like hemilability in a Ti-based frustrated Lewis Trio.","Chemical science","2024","15","15","5555","5563","10.1039/d3sc06789k","","","0.71073","MoKα","","0.1277","0.0566","","","0.1154","0.1418","","","","","","1.014","","","","has coordinates,has disorder","291584","2024-05-05","01:59:14",""
"1571209","18.2372","0.0013","18.2261","0.001","19.3593","0.0008","90","","90.255","0.003","90","","6434.8","0.6","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C58 H56 B Cl3 F24 N2 P2 Ti -","- C58 H56 B Cl3 F24 N2 P2 Ti -","- C232 H224 B4 Cl12 F96 N8 P8 Ti4 -","4","1","","Kounalis, Errikos; van Tongeren, Dylan; Melnikov, Stanislav; Lutz, Martin; Broere, Daniël L J","Pendulum-like hemilability in a Ti-based frustrated Lewis Trio.","Chemical science","2024","15","15","5555","5563","10.1039/d3sc06789k","","","0.71073","MoKα","","0.103","0.0589","","","0.1456","0.1699","","","","","","1.029","","","","has coordinates","291584","2024-05-05","01:59:14",""
"1571210","11.8542","0.0016","10.8829","0.0013","8.9354","0.0012","90","","99.888","0.005","90","","1135.6","0.3","380","","380","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-1H-purin-6-one","penciclovir","","- C10 H15 N5 O3 -","- C10 H15 N5 O3 -","- C40 H60 N20 O12 -","4","1","","Meng, Jiantao; Su, Yuan; Zhu, Hang; Cai, Ting","Shape memory and self-healing in a molecular crystal with inverse temperature symmetry breaking.","Chemical science","2024","15","15","5738","5745","10.1039/d3sc06800e","","","0.71073","MoKα","","0.1107","0.056","","","0.1228","0.1556","","","","","","1.031","","","","has coordinates","291583","2024-05-05","01:58:30",""
"1571211","9.093","0.004","10.918","0.004","11.805","0.004","87.335","0.012","80.598","0.013","86.279","0.015","1153","0.8","400","","400","","","","","","","","","4","P -1","-P 1","2","2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-1H-purin-6-one","penciclovir","","- C10 H15 N5 O3 -","- C10 H15 N5 O3 -","- C40 H60 N20 O12 -","4","2","","Meng, Jiantao; Su, Yuan; Zhu, Hang; Cai, Ting","Shape memory and self-healing in a molecular crystal with inverse temperature symmetry breaking.","Chemical science","2024","15","15","5738","5745","10.1039/d3sc06800e","","","0.71073","MoKα","","0.1243","0.0729","","","0.1664","0.1971","","","","","","1.074","","","","has coordinates","291583","2024-05-05","01:58:30",""
"1571212","6.4286","0.0001","8.7411","0.0002","33.5094","0.0006","90","","90","","90","","1882.99","0.06","296.3","0.6","296.3","0.6","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 F4 N O -","- C24 H17 F4 N O -","- C96 H68 F16 N4 O4 -","4","1","","Fang, Chao; Wang, Quan-Pu; Xu, Bing; Zhang, Zhan-Ming; Zhang, Junliang","Palladium/XuPhos-catalyzed enantioselective cascade Heck/intermolecular C(sp<sup>2</sup>)-H alkylation reaction.","Chemical science","2024","15","15","5573","5580","10.1039/d4sc00262h","","x-ray","1.54184","CuKα","","0.0334","0.0302","","","0.0769","0.079","","","","","","1.06","","","","has coordinates","291587","2024-05-05","02:01:28",""
"1571213","18.288","0.004","24.723","0.005","6.9501","0.0015","90","","92.813","0.006","90","","3138.6","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H20 F20 O4 S6 -","- C68 H20 F20 O4 S6 -","- C136 H40 F40 O8 S12 -","2","0.5","","Shukla, Pragati; Ambhore, Madan D.; Anand, Venkataramanarao G.","Open shell (4<i>n</i> + 2)π and closed shell 4<i>n</i>π planar core-modified decaphyrins.","Chemical science","2024","15","16","6022","6027","10.1039/d3sc05251f","","","0.71073","MoKα","","0.1012","0.0649","","","0.1527","0.1754","","","","","","0.915","","","","has coordinates","291571","2024-05-05","01:42:19",""
"1571214","18.258","0.004","13.448","0.003","21.934","0.005","90","","104.115","0.007","90","","5223","2","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C94 H74 S10 -","- C94 H74 S10 -","- C188 H148 S20 -","2","0.5","","Shukla, Pragati; Ambhore, Madan D.; Anand, Venkataramanarao G.","Open shell (4<i>n</i> + 2)π and closed shell 4<i>n</i>π planar core-modified decaphyrins.","Chemical science","2024","15","16","6022","6027","10.1039/d3sc05251f","","","0.71073","MoKα","","0.1971","0.0754","","","0.186","0.2407","","","","","","1.051","","","","has coordinates","291571","2024-05-05","01:42:25",""
"1571215","12.453","0.003","21.757","0.006","23.66","0.006","66.193","0.008","79.426","0.009","86.247","0.008","5765","3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H20 Cl0 F20 S10 -","- C68 H20 F20 S10 -","- C204 H60 F60 S30 -","3","1.5","","Shukla, Pragati; Ambhore, Madan D.; Anand, Venkataramanarao G.","Open shell (4<i>n</i> + 2)π and closed shell 4<i>n</i>π planar core-modified decaphyrins.","Chemical science","2024","15","16","6022","6027","10.1039/d3sc05251f","","","0.71073","MoKα","","0.2459","0.0893","","","0.2012","0.2642","","","","","","0.943","","","","has coordinates","291571","2024-05-05","01:42:25",""
"1571216","23.966","0.008","12.143","0.004","32.204","0.012","90","","99.057","0.011","90","","9255","6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C100 H74 Cl2 F6 O5 S10 -","- C100 H74 Cl2 F6 O5 S10 -","- C400 H296 Cl8 F24 O20 S40 -","4","1","","Shukla, Pragati; Ambhore, Madan D.; Anand, Venkataramanarao G.","Open shell (4<i>n</i> + 2)π and closed shell 4<i>n</i>π planar core-modified decaphyrins.","Chemical science","2024","15","16","6022","6027","10.1039/d3sc05251f","","","0.71073","MoKα","","0.2413","0.117","","","0.2736","0.3327","","","","","","1.083","","","","has coordinates","291571","2024-05-05","01:42:25",""
"1571217","4.3844","0.0001","16.88","0.0003","23.4788","0.0004","90","","91.0715","0.0019","90","","1737.33","0.06","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 F3 N O5 -","- C18.001 H16 F3.0015 N O5.001 -","- C72.004 H64 F12.006 N4 O20.004 -","4","1","","Wang, Yu; Li, Yiwen; Ni, Yeke; Bučar, Dejan-Krešimir; Dalby, Paul A.; Ward, John M.; Jeffries, Jack W. E.; Hailes, Helen C.","A transaminase-mediated aldol reaction and applications in cascades to styryl pyridines.","Catalysis science & technology","2024","14","9","2390","2399","10.1039/d3cy01370g","","x-ray","1.54184","CuKα","","0.0501","0.045","","","0.11","0.1134","","","","","","1.073","","","","has coordinates,has disorder","292757","2024-07-05","12:58:52",""
"1571218","11.1145","0.001","11.1145","0.001","9.6132","0.0012","90","","90","","90","","1187.5","0.2","120","","120","","","","","","","","","6","P -4 m 2","P -4 -2","115","","","","- C7 H16 B10 Cu N O4 -","- C7 H16 B10 Cu N O4 -","- C14 H32 B20 Cu2 N2 O8 -","2","0.25","","Wang, Lingyao; Wu, Shuangshuang; Hu, Jianbo; Jiang, Yunjia; Li, Jiahao; Hu, Yongqi; Han, Yan; Ben, Teng; Chen, Banglin; Zhang, Yuanbin","A novel hydrophobic carborane-hybrid microporous material for reversed C<sub>2</sub>H<sub>6</sub> adsorption and efficient C<sub>2</sub>H<sub>4</sub>/C<sub>2</sub>H<sub>6</sub> separation under humid conditions.","Chemical science","2024","15","15","5653","5659","10.1039/d4sc00424h","","","1.54178","CuKα","","0.05","0.0439","","","0.111","0.1189","","","","","","1.104","","","","has coordinates,has disorder","291579","2024-05-05","01:55:07",""
"1571219","11.1145","0.0006","11.1145","0.0006","9.5867","0.0007","90","","90","","90","","1184.27","0.13","120","","120","","","","","","","","","6","P -4 m 2","P -4 -2","115","","","","- C8.1 H18.2 B10 Cu N O4 -","- C8.1 H18.2 B10 Cu N O4 -","- C16.2 H36.4 B20 Cu2 N2 O8 -","2","0.25","","Wang, Lingyao; Wu, Shuangshuang; Hu, Jianbo; Jiang, Yunjia; Li, Jiahao; Hu, Yongqi; Han, Yan; Ben, Teng; Chen, Banglin; Zhang, Yuanbin","A novel hydrophobic carborane-hybrid microporous material for reversed C<sub>2</sub>H<sub>6</sub> adsorption and efficient C<sub>2</sub>H<sub>4</sub>/C<sub>2</sub>H<sub>6</sub> separation under humid conditions.","Chemical science","2024","15","15","5653","5659","10.1039/d4sc00424h","","","0.71073","MoKα","","0.0559","0.0474","","","0.1143","0.1231","","","","","","1.144","","","","has coordinates,has disorder","291579","2024-05-05","01:55:13",""
"1571220","11.0892","0.0015","11.0892","0.0015","9.581","0.0014","90","","90","","90","","1178.2","0.3","120","","120","","","","","","","","","6","P -4 m 2","P -4 -2","115","","","","- C8 H17 B10 Cu N O4 -","- C8 H17 B10 Cu N O4 -","- C16 H34 B20 Cu2 N2 O8 -","2","0.25","","Wang, Lingyao; Wu, Shuangshuang; Hu, Jianbo; Jiang, Yunjia; Li, Jiahao; Hu, Yongqi; Han, Yan; Ben, Teng; Chen, Banglin; Zhang, Yuanbin","A novel hydrophobic carborane-hybrid microporous material for reversed C<sub>2</sub>H<sub>6</sub> adsorption and efficient C<sub>2</sub>H<sub>4</sub>/C<sub>2</sub>H<sub>6</sub> separation under humid conditions.","Chemical science","2024","15","15","5653","5659","10.1039/d4sc00424h","","","0.71073","MoKα","","0.1199","0.0853","","","0.209","0.2396","","","","","","1.081","","","","has coordinates,has disorder","291579","2024-05-05","01:55:13",""
"1571221","11.1131","0.0011","11.1131","0.0011","9.6111","0.0012","90","","90","","90","","1187","0.2","293.15","","293.15","","","","","","","","","6","P -4 m 2","P -4 -2","115","","","","- C7 H16 B10 Cu N O4 -","- C7 H16 B10 Cu N O4 -","- C14 H32 B20 Cu2 N2 O8 -","2","0.25","","Wang, Lingyao; Wu, Shuangshuang; Hu, Jianbo; Jiang, Yunjia; Li, Jiahao; Hu, Yongqi; Han, Yan; Ben, Teng; Chen, Banglin; Zhang, Yuanbin","A novel hydrophobic carborane-hybrid microporous material for reversed C<sub>2</sub>H<sub>6</sub> adsorption and efficient C<sub>2</sub>H<sub>4</sub>/C<sub>2</sub>H<sub>6</sub> separation under humid conditions.","Chemical science","2024","15","15","5653","5659","10.1039/d4sc00424h","","","0.71073","MoKα","","0.069","0.0539","","","0.1468","0.1701","","","","","","1.214","","","","has coordinates,has disorder","291579","2024-05-05","01:55:13",""
"1571222","14.769","0.003","15.187","0.003","21.191","0.004","90","","106.73","0.03","90","","4551.9","1.7","100","0.2","100","0.2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C105.5 H103 B2 Cl3 Co2 N8 O4 -","- C105.5 H103 B2 Cl3 Co2 N8 O4 -","- C211 H206 B4 Cl6 Co4 N16 O8 -","2","1","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71092","Synchrotron","","0.0917","0.0716","","","0.2093","0.2286","","","","","","1.063","","","","has coordinates,has disorder","291582","2024-05-05","01:57:36",""
"1571223","30.09","0.006","10.04","0.002","27.93","0.006","90","","90","","90","","8438","3","371.6","0.2","371.6","0.2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H46 B Co N4 O2 -","- C50 H46 B Co N4 O2 -","- C400 H368 B8 Co8 N32 O16 -","8","2","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.1085","0.047","","","0.128","0.1622","","","","","","0.979","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571224","29.872","0.006","9.931","0.002","27.754","0.006","90","","90","","90","","8233","3","271.59","0.02","270.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H46 B Co N4 O2 -","- C50 H46 B Co N4 O2 -","- C400 H368 B8 Co8 N32 O16 -","8","2","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.0711","0.0456","","","0.1157","0.1505","","","","","","1.082","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571225","29.62","0.006","9.84","0.002","27.53","0.006","90","","90","","90","","8024","3","99.96","0.02","99.96","0.02","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H46 B Co N4 O2 -","- C50 H46 B Co N4 O2 -","- C400 H368 B8 Co8 N32 O16 -","8","2","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.0813","0.0513","","","0.1227","0.1427","","","","","","1.029","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571226","20.212","0.004","9.634","0.0019","22.929","0.005","90","","95.57","0.03","90","","4443.7","1.6","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 B Co N4 O2 -","- C54 H54 B Co N4 O2 -","- C216 H216 B4 Co4 N16 O8 -","4","1","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.0705","0.0676","","","0.1786","0.1815","","","","","","1.046","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571227","30","0.006","9.98","0.002","27.84","0.006","90","","90","","90","","8335","3","330","0.2","330","0.2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H46 B Co N4 O2 -","- C50 H46 B Co N4 O2 -","- C400 H368 B8 Co8 N32 O16 -","8","2","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.0696","0.0404","","","0.1105","0.128","","","","","","1.008","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571228","20.258","0.004","9.648","0.0019","22.962","0.005","90","","95.6","0.03","90","","4466.5","1.6","153","0.2","153","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 B Co N4 O2 -","- C53.999 H53.998 B Co N4 O2 -","- C215.996 H215.992 B4 Co4 N16 O8 -","4","1","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.0718","0.068","","","0.1843","0.1883","","","","","","1.054","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571229","29.67","0.006","9.86","0.002","27.58","0.006","90","","90","","90","","8068","3","150.12","0.02","150.12","0.02","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H46 B Co N4 O2 -","- C50 H46 B Co N4 O2 -","- C400 H368 B8 Co8 N32 O16 -","8","2","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.0828","0.0482","","","0.1119","0.1289","","","","","","1.016","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571230","29.76","0.006","9.89","0.002","27.66","0.006","90","","90","","90","","8141","3","201.34","0.02","201.34","0.02","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H46 B Co N4 O2 -","- C50 H46 B Co N4 O2 -","- C400 H368 B8 Co8 N32 O16 -","8","2","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.0793","0.0478","","","0.1146","0.133","","","","","","1.011","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571231","20.464","0.004","9.708","0.0019","23.147","0.005","90","","95.64","0.03","90","","4576.2","1.6","276","0.2","276","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 B Co N4 O2 -","- C53.999 H53.998 B Co N4 O2 -","- C215.996 H215.992 B4 Co4 N16 O8 -","4","1","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.0874","0.0783","","","0.2227","0.2341","","","","","","1.057","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571232","20.716","0.004","9.795","0.002","23.515","0.005","90","","95.47","0.03","90","","4749.8","1.7","400","0.2","400","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 B Co N4 O2 -","- C54 H54 B Co N4 O2 -","- C216 H216 B4 Co4 N16 O8 -","4","1","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.075","0.0624","","","0.198","0.2157","","","","","","1.066","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571233","20.675","0.004","9.779","0.002","23.468","0.005","90","","95.49","0.03","90","","4723","1.7","376","0.2","376","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 B Co N4 O2 -","- C54.001 H54.002 B Co N4 O2 -","- C216.004 H216.008 B4 Co4 N16 O8 -","4","1","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.0888","0.0699","","","0.2113","0.2405","","","","","","1.067","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571234","20.525","0.004","9.727","0.0019","23.244","0.005","90","","95.61","0.03","90","","4618.4","1.6","302","0.2","302","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 B Co N4 O2 -","- C54 H54 B Co N4 O2 -","- C216 H216 B4 Co4 N16 O8 -","4","1","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.087","0.0757","","","0.2212","0.2356","","","","","","1.06","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571235","20.581","0.004","9.747","0.0019","23.342","0.005","90","","95.56","0.03","90","","4660.4","1.6","327","0.2","327","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 B Co N4 O2 -","- C54 H54 B Co N4 O2 -","- C216 H216 B4 Co4 N16 O8 -","4","1","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71073","Synchrotron","","0.0855","0.0724","","","0.2163","0.2354","","","","","","1.069","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571236","20.402","0.004","9.692","0.0019","23.077","0.005","90","","95.63","0.03","90","","4541.1","1.6","252","0.2","252","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 B Co N4 O2 -","- C54 H54 B Co N4 O2 -","- C216 H216 B4 Co4 N16 O8 -","4","1","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.0839","0.0769","","","0.2128","0.221","","","","","","1.035","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571237","20.325","0.004","9.671","0.0019","23.011","0.005","90","","95.61","0.03","90","","4501.4","1.6","202","0.2","202","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 B Co N4 O2 -","- C54.001 H54.002 B Co N4 O2 -","- C216.004 H216.008 B4 Co4 N16 O8 -","4","1","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.0791","0.0742","","","0.2001","0.2055","","","","","","1.026","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571238","20.625","0.004","9.765","0.002","23.419","0.005","90","","95.51","0.03","90","","4694.9","1.7","352","0.2","352","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 B Co N4 O2 -","- C54 H54 B Co N4 O2 -","- C216 H216 B4 Co4 N16 O8 -","4","1","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.0855","0.0709","","","0.2113","0.2327","","","","","","1.051","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571239","13.1125","0.0001","21.0944","0.0001","18.8571","0.0001","90","","107.233","0.001","90","","4981.73","0.06","100.01","0.1","100.01","0.1","","","100","","","","","4","P 1 21 1","P 2yb","4","H-YLGGG-OH Q8 complex hydrate","L-tyrosyl-L-leucylglycylglycylglycine cucurbit[8]uril complex octadecahydrate","","- C69 H116 N37 O42 -","- C69 H116 N37 O42 -","- C138 H232 N74 O84 -","2","1","","Suating, Paolo; Ewe, Marc B.; Kimberly, Lauren B.; Arman, Hadi D.; Wherritt, Daniel J.; Urbach, Adam R.","Peptide recognition by a synthetic receptor at subnanomolar concentrations","Chemical Science","2024","15","14","5133","5142","10.1039/D4SC01122H","","x-ray","1.54184","CuKα","","0.0391","0.0377","","","0.0973","0.0986","","","","","","1.031","","","","has coordinates","290832","2024-04-04","22:40:12",""
"1571240","34.6961","0.0003","14.6388","0.0001","18.863","0.0001","90","","90.751","0.001","90","","9579.87","0.12","99.99","0.1","99.99","0.1","","","100","","","","synthetic","4","C 1 2 1","C 2y","5","LYGGG Q8 complex","L-leucyl-L-tyrosylglycylglycylglycine cucurbit[8]uril complex hydrate","","- C276 H381.4 N148 O132.2 -","- C276 H381.4 N148 O132.2 -","- C276 H381.4 N148 O132.2 -","1","0.25","","Suating, Paolo; Ewe, Marc B.; Kimberly, Lauren B.; Arman, Hadi D.; Wherritt, Daniel J.; Urbach, Adam R.","Peptide recognition by a synthetic receptor at subnanomolar concentrations","Chemical Science","2024","15","14","5133","5142","10.1039/D4SC01122H","","x-ray","1.54184","CuKα","","0.059","0.056","","","0.1308","0.1324","","","","","","1.069","","","","has coordinates,has disorder","290832","2024-04-04","22:40:13",""
"1571241","30.2632","0.0014","17.8811","0.0008","14.5204","0.0007","90","","116.644","0.001","90","","7023.2","0.6","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H18 N4 O4 -","- C19 H18 N4 O4 -","- C304 H288 N64 O64 -","16","4","","Gerz, Isabelle; Aunan, Erlend S.; Finelli, Valeria; Abu Rasheed, Mouhammad; Deplano, Gabriele; Cortez S P, Rafael; Schmidtke, Inga L.; Wragg, David S.; Signorile, Matteo; Hylland, Knut T.; Borfecchia, Elisa; Lillerud, Karl Petter; Bordiga, Silvia; Olsbye, Unni; Amedjkouh, Mohamed","Enabling a bioinspired <i>N</i>,<i>N</i>,<i>N</i>-copper coordination motif through spatial control in UiO-67: synthesis and reactivity.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8141","8153","10.1039/d3dt03096b","","x-ray","0.71073","MoKα","","0.061","0.0447","","","0.0971","0.1038","","","","","","1.01","","","","has coordinates","293059","2024-07-05","16:19:54",""
"1571242","9.4125","0.0005","9.5825","0.0005","12.6203","0.0007","111.81","0.001","94.784","0.001","97.059","0.001","1038.46","0.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 Cl2 N4 O7 -","- C17 H22 Cl2 N4 O7 -","- C34 H44 Cl4 N8 O14 -","2","1","","Gerz, Isabelle; Aunan, Erlend S.; Finelli, Valeria; Abu Rasheed, Mouhammad; Deplano, Gabriele; Cortez S P, Rafael; Schmidtke, Inga L.; Wragg, David S.; Signorile, Matteo; Hylland, Knut T.; Borfecchia, Elisa; Lillerud, Karl Petter; Bordiga, Silvia; Olsbye, Unni; Amedjkouh, Mohamed","Enabling a bioinspired <i>N</i>,<i>N</i>,<i>N</i>-copper coordination motif through spatial control in UiO-67: synthesis and reactivity.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8141","8153","10.1039/d3dt03096b","","x-ray","0.71073","MoKα","","0.0382","0.0326","","","0.085","0.0885","","","","","","1.06","","","","has coordinates","293059","2024-07-05","16:19:57",""
"1571243","7.0232","0.0012","13.372","0.002","20.612","0.003","95.02","0.007","91.808","0.009","100.397","0.009","1894.5","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H36 Cu N8 O8 -","- C38 H36 Cu N8 O8 -","- C76 H72 Cu2 N16 O16 -","2","1","","Gerz, Isabelle; Aunan, Erlend S.; Finelli, Valeria; Abu Rasheed, Mouhammad; Deplano, Gabriele; Cortez S P, Rafael; Schmidtke, Inga L.; Wragg, David S.; Signorile, Matteo; Hylland, Knut T.; Borfecchia, Elisa; Lillerud, Karl Petter; Bordiga, Silvia; Olsbye, Unni; Amedjkouh, Mohamed","Enabling a bioinspired <i>N</i>,<i>N</i>,<i>N</i>-copper coordination motif through spatial control in UiO-67: synthesis and reactivity.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8141","8153","10.1039/d3dt03096b","","","0.71073","MoKα","","0.1283","0.1064","","","0.2336","0.2436","","","","","","1.166","","","","has coordinates","293059","2024-07-05","16:19:57",""
"1571244","8.489","0.0012","16.4","0.002","27.936","0.003","90","","90","","90","","3889.2","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","10-Bromo-<i>N</i>,<i>N</i>-diphenylanthracen-9-amine","","- C26 H18 Br N -","- C26 H18 Br N -","- C208 H144 Br8 N8 -","8","1","HB4462","Sureshkumar, K.; Khamrang, Themmila; Hemamalini, Madhukar; Saravanan, Dhandayutham; Antony, G. Jerald Maria","10-Bromo-N,N-diphenylanthracen-9-amine","IUCrData","2024","9","3","","","10.1107/S2414314624002074","","","0.71073","MoKα","","0.0993","0.0525","","","0.0886","0.1094","","","","","","1.077","","","","has coordinates","290479","2024-03-13","03:23:06",""
"1571245","9.3848","0.0002","11.5366","0.0003","14.8861","0.0004","79.747","0.001","83.521","0.001","72.5","0.001","1509.53","0.07","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H23 Br Cl3 N2 O2 P -","- C32 H23 Br Cl3 N2 O2 P -","- C64 H46 Br2 Cl6 N4 O4 P2 -","2","1","","Xu, Shengbo; Mi, Ruijie; Zheng, Guangfan; Li, Xingwei","Cobalt- or rhodium-catalyzed synthesis of 1,2-dihydrophosphete oxides <i>via</i> C-H activation and formal phosphoryl migration.","Chemical science","2024","15","16","6012","6021","10.1039/d4sc00649f","","","0.71073","MoKα","","0.0351","0.0292","","","0.0758","0.0798","","","","","","1.022","","","","has coordinates","291568","2024-05-05","01:39:56",""
"1571246","9.3078","0.0002","12.9452","0.0003","13.3909","0.0003","83.589","0.001","79.897","0.001","69.502","0.001","1485.68","0.06","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H26 Cl2 N3 O3 P -","- C32 H26 Cl2 N3 O3 P -","- C64 H52 Cl4 N6 O6 P2 -","2","1","","Xu, Shengbo; Mi, Ruijie; Zheng, Guangfan; Li, Xingwei","Cobalt- or rhodium-catalyzed synthesis of 1,2-dihydrophosphete oxides <i>via</i> C-H activation and formal phosphoryl migration.","Chemical science","2024","15","16","6012","6021","10.1039/d4sc00649f","","","0.71073","MoKα","","0.0553","0.0459","","","0.1132","0.1222","","","","","","1.046","","","","has coordinates,has disorder","291568","2024-05-05","01:40:01",""
"1571247","8.1586","0.0003","21.503","0.0008","8.6653","0.0003","90","","95.275","0.003","90","","1513.75","0.1","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17.36 H22.73 N2 O -","- C17.37 H22.74 N2 O -","- C69.48 H90.96 N8 O4 -","4","1","","Ma, Foqing; Li, Yunlong; Akkarasereenon, Kornkamon; Qiu, Huiying; Cheung, Yuen Tsz; Guo, Zhihong; Tong, Rongbiao","Aza-Achmatowicz rearrangement coupled with intermolecular aza-Friedel-Crafts enables total syntheses of uleine and aspidosperma alkaloids.","Chemical science","2024","15","15","5730","5737","10.1039/d4sc00601a","","x-ray","1.54184","CuKα","","0.07","0.054","","","0.1389","0.1506","","","","","","1.03","","","","has coordinates,has disorder","291578","2024-05-05","01:54:32",""
"1571248","8.9869","0.0006","9.3453","0.0005","11.174","0.0006","83.313","0.005","81.185","0.005","61.479","0.006","813.81","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N2 O3 -","- C18 H22 N2 O3 -","- C36 H44 N4 O6 -","2","1","","Ma, Foqing; Li, Yunlong; Akkarasereenon, Kornkamon; Qiu, Huiying; Cheung, Yuen Tsz; Guo, Zhihong; Tong, Rongbiao","Aza-Achmatowicz rearrangement coupled with intermolecular aza-Friedel-Crafts enables total syntheses of uleine and aspidosperma alkaloids.","Chemical science","2024","15","15","5730","5737","10.1039/d4sc00601a","","x-ray","1.54184","CuKα","","0.0393","0.0346","","","0.0866","0.0907","","","","","","1.035","","","","has coordinates","291578","2024-05-05","01:54:36",""
"1571249","10.539","0.002","10.9798","0.0018","11.7826","0.0015","92.457","0.009","108.816","0.004","103.145","0.004","1246.7","0.4","102","","102","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27 N4 O P -","- C29 H27 N4 O P -","- C58 H54 N8 O2 P2 -","2","1","","Kopp, Richard O.; Kleynemeyer, Sabrina L.; Groth, Lucie J.; Ernst, Moritz J.; Rupf, Susanne M.; Weber, Manuela; Kershaw Cook, Laurence J.; Coles, Nathan T.; Neale, Samuel E.; Müller, Christian","Highly selective, reversible water activation by P,N-cooperativity in pyridyl-functionalized phosphinines.","Chemical science","2024","15","15","5496","5506","10.1039/d3sc05930h","","","0.71073","MoKα","","0.0544","0.0454","","","0.103","0.1073","","","","","","1.067","","","","has coordinates","291581","2024-05-05","01:56:08",""
"1571250","6.0233","0.0002","7.6255","0.0002","21.2045","0.0006","90","","93.2936","0.0009","90","","972.33","0.05","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 N4 P -","- C25 H17 N4 P -","- C50 H34 N8 P2 -","2","0.5","","Kopp, Richard O.; Kleynemeyer, Sabrina L.; Groth, Lucie J.; Ernst, Moritz J.; Rupf, Susanne M.; Weber, Manuela; Kershaw Cook, Laurence J.; Coles, Nathan T.; Neale, Samuel E.; Müller, Christian","Highly selective, reversible water activation by P,N-cooperativity in pyridyl-functionalized phosphinines.","Chemical science","2024","15","15","5496","5506","10.1039/d3sc05930h","","","0.71073","MoKα","","0.0593","0.0591","","","0.1348","0.135","","","","","","1.299","","","","has coordinates,has disorder","291581","2024-05-05","01:56:15",""
"1571251","6.0439","0.0002","10.8817","0.0005","11.4035","0.0005","102.992","0.002","95.821","0.001","93.214","0.001","724.61","0.05","150","","150","","","","","","","","","4","P -1","-P 1","2","","6,6',6'',6'''-(phosphinine-2,3,5,6-tetrayl)tetrakis(3-methylpyridine) toluene solvate","","- C36 H33 N4 P -","- C36 H33 N4 P -","- C36 H33 N4 P -","1","0.5","","Kopp, Richard O.; Kleynemeyer, Sabrina L.; Groth, Lucie J.; Ernst, Moritz J.; Rupf, Susanne M.; Weber, Manuela; Kershaw Cook, Laurence J.; Coles, Nathan T.; Neale, Samuel E.; Müller, Christian","Highly selective, reversible water activation by P,N-cooperativity in pyridyl-functionalized phosphinines.","Chemical science","2024","15","15","5496","5506","10.1039/d3sc05930h","","","0.71073","MoKα","","0.0782","0.0735","","","0.1536","0.1556","","","","","","1.277","","","","has coordinates,has disorder","291581","2024-05-05","01:56:15",""
"1571252","22.4512","0.0008","22.4512","0.0008","10.3077","0.0005","90","","90","","90","","5195.7","0.4","150","","150","","","","","","","","","7","I -4","I -4","82","","","","- C103.44 H78.88 Cl6.88 Li4 N16 O4 P4 -","- C103.44 H78.88 Cl6.88 Li4 N16 O4 P4 -","- C206.88 H157.76 Cl13.76 Li8 N32 O8 P8 -","2","0.25","","Kopp, Richard O.; Kleynemeyer, Sabrina L.; Groth, Lucie J.; Ernst, Moritz J.; Rupf, Susanne M.; Weber, Manuela; Kershaw Cook, Laurence J.; Coles, Nathan T.; Neale, Samuel E.; Müller, Christian","Highly selective, reversible water activation by P,N-cooperativity in pyridyl-functionalized phosphinines.","Chemical science","2024","15","15","5496","5506","10.1039/d3sc05930h","","x-ray","1.54178","CuKα","","0.067","0.0505","","","0.1201","0.13","","","","","","1.045","","","","has coordinates,has disorder","291581","2024-05-05","01:56:15",""
"1571253","8.4144","0.0005","9.2664","0.0005","14.4244","0.001","90","","103.942","0.002","90","","1091.55","0.12","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,2-bis(5-methylpyridin-2-yl)ethyne","","- C14 H12 N2 -","- C14 H12 N2 -","- C56 H48 N8 -","4","0.5","","Kopp, Richard O.; Kleynemeyer, Sabrina L.; Groth, Lucie J.; Ernst, Moritz J.; Rupf, Susanne M.; Weber, Manuela; Kershaw Cook, Laurence J.; Coles, Nathan T.; Neale, Samuel E.; Müller, Christian","Highly selective, reversible water activation by P,N-cooperativity in pyridyl-functionalized phosphinines.","Chemical science","2024","15","15","5496","5506","10.1039/d3sc05930h","","x-ray","0.71073","MoKα","","0.1081","0.0718","","","0.198","0.2543","","","","","","1.058","","","","has coordinates,has disorder","291581","2024-05-05","01:56:15",""
"1571254","19.1051","0.0008","17.5837","0.0007","19.9459","0.0007","90","","99.885","0.001","90","","6601.1","0.4","105","","105","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C59 H52 Cl2 Cu4 I4 N8 P2 -","- C58 H50 Cu4 I4 N8 P2 -","- C232 H200 Cu16 I16 N32 P8 -","4","1","","Kopp, Richard O.; Kleynemeyer, Sabrina L.; Groth, Lucie J.; Ernst, Moritz J.; Rupf, Susanne M.; Weber, Manuela; Kershaw Cook, Laurence J.; Coles, Nathan T.; Neale, Samuel E.; Müller, Christian","Highly selective, reversible water activation by P,N-cooperativity in pyridyl-functionalized phosphinines.","Chemical science","2024","15","15","5496","5506","10.1039/d3sc05930h","","","0.71073","MoKα","","0.0604","0.0391","","","0.0762","0.094","","","","","","1.148","","","","has coordinates","291581","2024-05-05","01:56:15",""
"1571255","13.4985","0.0008","16.3402","0.0011","8.5914","0.0004","90","","99.883","0.005","90","","1866.87","0.19","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Br N3 O2 -","- C20 H18 Br N3 O2 -","- C80 H72 Br4 N12 O8 -","4","1","","Vijayakumar, Monica; Yhobu, Zhoveta; Małecki, Jan Grzegorz; Nagaraju, Dodahhali H.; Keri, Rangappa S.; Budagumpi, Srinivasa","Comprehensive enhancement in electrocatalytic oxygen evolution performance of nickel and cobalt complexes derived from π-conjugated N-heterocyclic carbene ligands through carbon composite strategy","Catalysis Science & Technology","2024","14","9","2489","2502","10.1039/D3CY01732J","","x-ray","0.71073","MoKα","","0.1038","0.0518","","","0.0995","0.1182","","","","","","1.039","","","","has coordinates","292758","2024-07-05","12:59:01",""
"1571256","10.7857","0.0016","14.519","0.002","11.7467","0.0018","90","","103.727","0.015","90","","1787","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Br N3 O2 -","- C20 H18 Br N3 O2 -","- C80 H72 Br4 N12 O8 -","4","1","","Vijayakumar, Monica; Yhobu, Zhoveta; Małecki, Jan Grzegorz; Nagaraju, Dodahhali H.; Keri, Rangappa S.; Budagumpi, Srinivasa","Comprehensive enhancement in electrocatalytic oxygen evolution performance of nickel and cobalt complexes derived from π-conjugated N-heterocyclic carbene ligands through carbon composite strategy","Catalysis Science & Technology","2024","14","9","2489","2502","10.1039/D3CY01732J","","x-ray","0.71073","MoKα","","0.1052","0.0525","","","0.1102","0.1385","","","","","","0.973","","","","has coordinates","292758","2024-07-05","12:59:02",""
"1571257","12.4142","0.0013","15.1667","0.0013","18.9994","0.0018","90","","92.258","0.004","90","","3574.5","0.6","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H43 N3 P2 -","- C43 H43 N3 P2 -","- C172 H172 N12 P8 -","4","1","","Coburger, Peter; Buzanich, Ana Guilherme; Emmerling, Franziska; Abbenseth, Josh","Combining geometric constraint and redox non-innocence within an ambiphilic PBiP pincer ligand.","Chemical science","2024","15","16","6036","6043","10.1039/d4sc00197d","","","0.71073","MoKα","","0.0454","0.0393","","","0.1027","0.1075","","","","","","1.0422","","","","has coordinates","291573","2024-05-05","01:45:41",""
"1571258","10.9439","0.0007","21.0052","0.001","21.9721","0.0012","92.01","0.002","101.049","0.002","103.267","0.002","4808.4","0.5","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C53 H48 Bi N3 O3 P2 W -","- C46 H40 Bi N3 O3 P2 W -","- C184 H160 Bi4 N12 O12 P8 W4 -","4","2","","Coburger, Peter; Buzanich, Ana Guilherme; Emmerling, Franziska; Abbenseth, Josh","Combining geometric constraint and redox non-innocence within an ambiphilic PBiP pincer ligand.","Chemical science","2024","15","16","6036","6043","10.1039/d4sc00197d","","","0.71073","MoKα","","0.0908","0.0514","","","0.1137","0.1332","","","","","","0.9746","","","","has coordinates","291573","2024-05-05","01:45:46",""
"1571259","12.5454","0.001","14.8524","0.0015","20.97","0.002","72.803","0.004","83.022","0.003","86.907","0.003","3704.3","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H40 Bi N3 P2 -","- C43 H40 Bi N3 P2 -","- C172 H160 Bi4 N12 P8 -","4","2","","Coburger, Peter; Buzanich, Ana Guilherme; Emmerling, Franziska; Abbenseth, Josh","Combining geometric constraint and redox non-innocence within an ambiphilic PBiP pincer ligand.","Chemical science","2024","15","16","6036","6043","10.1039/d4sc00197d","","","0.71073","MoKα","","0.0587","0.0367","","","0.0771","0.087","","","","","","1.0131","","","","has coordinates","291573","2024-05-05","01:45:46",""
"1571260","11.8543","0.0004","22.0339","0.0008","17.7751","0.0007","90","","102.638","0.001","90","","4530.3","0.3","173","2","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H36 Br2 N6 Ni -","- C50 H36 Br2 N6 Ni -","- C200 H144 Br8 N24 Ni4 -","4","1","","Yang, Jingshuang; Chi, Yue; Zhang, Yuxing; Jian, Zhongbao","An aza-cyclophane supported macrocyclic α-diimine nickel catalyst for ethylene polymerization","Polymer Chemistry","2024","15","15","1530","1535","10.1039/D3PY01402A","","","0.71073","MoKα","","0.1139","0.0523","","","0.1145","0.1376","","","","","","1.021","","","","has coordinates","291702","2024-05-05","04:14:27",""
"1571261","7.8263","0.0004","11.618","0.0006","28.9031","0.0015","90","","90","","90","","2628","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H31 N3 O -","- C33 H31 N3 O -","- C132 H124 N12 O4 -","4","1","","Dai, Lei; Zhou, Xueting; Guo, Jiami; Huang, Qingqin; Lu, Yixin","Copper-catalyzed atroposelective synthesis of C-O axially chiral compounds enabled by chiral 1,8-naphthyridine based ligands.","Chemical science","2024","15","16","5993","6001","10.1039/d4sc01074d","","","1.54178","CuKα","","0.0252","0.0251","","","0.0637","0.0639","","","","","","1.067","","","","has coordinates","291569","2024-05-05","01:40:33",""
"1571262","13.1931","","13.214","","6.213","","90","","90","","90","","1083.14","","100","","100","","","","","","","","","4","I b a m","-I 2 2c","72","1-methyluracil","","","- C5 H6 N2 O2 -","- C5 H6 N2 O2 -","- C40 H48 N16 O16 -","8","0.5","OF5004","Olech, Barbara; Brázda, Petr; Palatinus, Lukas; Dominiak, Paulina Maria","Dynamical refinement with multipolar electron scattering factors.","IUCrJ","2024","11","3","","","10.1107/S2052252524001763","","electron","0.0251","electron","","0.1355","0.0953","","","0.1001","0.1032","","","","0","0","2.8854","","","","has coordinates","290612","2024-03-23","03:14:56",""
"1571263","13.1931","","13.214","","6.213","","90","","90","","90","","1083.14","","100","","100","","","","","","","","","4","I b a m","-I 2 2c","72","1-methyluracil","","","- C5 H6 N2 O2 -","- C5 H6 N2 O2 -","- C40 H48 N16 O16 -","8","0.5","OF5004","Olech, Barbara; Brázda, Petr; Palatinus, Lukas; Dominiak, Paulina Maria","Dynamical refinement with multipolar electron scattering factors.","IUCrJ","2024","11","3","","","10.1107/S2052252524001763","","electron","0.0251","electron","","0.1273","0.0892","","","0.0959","0.0988","","","","0","0","2.76","","","","has coordinates","290612","2024-03-23","03:14:57",""
"1571264","13.1931","","13.214","","6.213","","90","","90","","90","","1083.14","","100","","100","","","","","","","","","4","I b a m","-I 2 2c","72","1-methyluracil","","","- C5 H6 N2 O2 -","- C5 H6 N2 O2 -","- C40 H48 N16 O16 -","8","0.5","OF5004","Olech, Barbara; Brázda, Petr; Palatinus, Lukas; Dominiak, Paulina Maria","Dynamical refinement with multipolar electron scattering factors.","IUCrJ","2024","11","3","","","10.1107/S2052252524001763","","electron","0.0251","electron","","0.1257","0.0875","","","0.094","0.097","","","","0","0","2.7109","","","","has coordinates","290612","2024-03-23","03:14:57",""
"1571265","6.7236","0.0005","7.2935","0.0005","16.1649","0.0011","77.57","0.006","80.354","0.005","89.412","0.006","762.9","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","{<i>N</i>-[1-(2-Oxidophenyl)ethylidene]-<i>DL</i>-alaninato}(pentane-1,5-diyl)silicon(IV)","","- C16 H21 N O3 Si -","- C16 H21 N O3 Si -","- C32 H42 N2 O6 Si2 -","2","1","TK4102","Böhme, Uwe; Fels, Sabine","{N-[1-(2-Oxidophenyl)ethylidene]-DL-alaninato}(pentane-1,5-diyl)silicon(IV)","IUCrData","2024","9","3","","","10.1107/S2414314624002281","","","0.71073","MoKα","","0.0563","0.0418","","","0.0982","0.1066","","","","","","1.098","","","","has coordinates,has disorder","290613","2024-03-23","03:19:03",""
"1571266","10.3048","0.0002","24.114","0.0006","12.6416","0.0004","90","","100.911","0.003","90","","3084.52","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[(μ-2,3-diethyl-7,8-dimethylquinoxaline-κ^2^<i>N</i>:<i>N</i>)(2,3-diethyl-7,8-dimethylquinoxaline-κ<i>N</i>)-μ-nitrato-κ^2^<i>O</i>:<i>O</i>'-nitrato-κ^2^<i>O</i>,<i>O</i>'-disilver(I)]","","- C28 H36 Ag2 N6 O6 -","- C28 H36 Ag2 N6 O6 -","- C112 H144 Ag8 N24 O24 -","4","1","ZL4069","Crundwell, Guy; Leeds, Ashley","Poly[(μ-2,3-diethyl-7,8-dimethylquinoxaline-κ2 N:N)(2,3-diethyl-7,8-dimethylquinoxaline-κN)-μ-nitrato-κ2 O:O′-nitrato-κ2 O,O′-disilver(I)]","IUCrData","2024","9","3","","","10.1107/S2414314624002475","","x-ray","0.71073","MoKα","","0.0793","0.0387","","","0.0798","0.0956","","","","","","1.003","","","","has coordinates,has disorder","290614","2024-03-23","03:19:17",""
"1571267","6.2497","0.0002","13.8633","0.0006","14.6254","0.0005","90","","90","","90","","1267.17","0.08","295","1","295","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl <i>N</i>-{(1<i>R</i>)-2-[(methoxycarbonyl)oxy]-1-phenylethyl}carbamate","","- C12 H15 N O5 -","- C12 H15 N O5 -","- C48 H60 N4 O20 -","4","1","HB4464","Mendoza Herrera, María del Consuelo; Sampedro Cruz, Mario; Pérez Díaz, Lydia María; Rivera Márquez, José Antonio; Orea Flores, Laura; Bernès, Sylvain","Methyl N-{(1R)-2-[(methoxycarbonyl)oxy]-1-phenylethyl}carbamate","IUCrData","2024","9","3","","","10.1107/S2414314624002220","","x-ray","0.71073","MoKα","","0.0667","0.0464","","","0.1072","0.1183","","","","","","1.026","","","","has coordinates","290615","2024-03-23","03:19:31",""
"1571268","7.6288","0.0003","8.753","0.0004","9.3794","0.0004","90.707","0.004","106.138","0.004","114.285","0.005","542.62","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-Dibromidotetrakis(5-methyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)\ manganese(II)","","- C16 H24 Br2 Mn N8 -","- C16 H24 Br2 Mn N8 -","- C16 H24 Br2 Mn N8 -","1","0.5","ZL4064","Athan, Manikumar; Krishnan, Soundararajan; Loganathan, Nagarajan","trans-Dibromidotetrakis(5-methyl-1H-pyrazole-κN 2)manganese(II)","IUCrData","2024","9","3","","","10.1107/S2414314624002372","","","0.71073","MoKα","","0.0462","0.0318","","","0.061","0.064","","","","","","1.037","","","","has coordinates","290616","2024-03-23","03:19:42",""
"1571269","6.7949","0.0002","6.9491","0.0002","16.708","0.0008","89.525","0.003","82.547","0.003","82.347","0.003","775.26","0.05","125","","125","","","","","","","","","6","P -1","-P 1","2","","4-Fluorobenzyl (<i>Z</i>)-2-(2-oxoindolin-3-ylidene)hydrazine-1-carbodithioate","","- C16 H12 F N3 O S2 -","- C16 H12 F N3 O S2 -","- C32 H24 F2 N6 O2 S4 -","2","1","HB4466","Abdul Manan, Mohd Abdul Fatah; Cordes, David B.; McKay, Aidan P.","4-Fluorobenzyl (Z)-2-(2-oxoindolin-3-ylidene)hydrazine-1-carbodithioate","IUCrData","2024","9","3","","","10.1107/S2414314624002359","","x-ray","1.54184","CuKα","","0.131","0.1056","","","0.2397","0.268","","","","","","1.003","","","","has coordinates","290617","2024-03-23","03:20:02",""
"1571270","7.5425","0.0003","17.6838","0.0009","18.892","0.0011","90","","90","","90","","2519.8","0.2","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-Ferrocenyl-2-[(2-ferrocenylethenyl)(morpholin-4-yl)methyl]-1,3-dithiolane","","- C29 H31 Fe2 N O S2 -","- C29 H31 Fe2 N O S2 -","- C116 H124 Fe8 N4 O4 S8 -","4","1","TK4101","Oliva-Colunga, Claudia; Sánchez García, Jessica J.; Flores-Alamo, Marcos; Klimova, Elena I.","2-Ferrocenyl-2-[(2-ferrocenylethenyl)(morpholin-4-yl)methyl]-1,3-dithiolane","IUCrData","2024","9","3","","","10.1107/S2414314624002347","","","0.71073","MoKα","","0.0631","0.0555","","","0.1274","0.1386","","","","","","1.056","","","","has coordinates,has disorder","290618","2024-03-23","03:20:18",""
"1571271","21.2076","0.0005","21.2076","0.0005","7.7012","0.0002","90","","90","","120","","2999.66","0.13","298","0.1","298","0.1","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C17 H8 F6 O4 Zn -","- C17 H8 F6 O4 Zn -","- C102 H48 F36 O24 Zn6 -","6","0.5","","Whitehead, Bevan S.; Brennessel, William W.; Michtavy, Shane S.; Silva, Hope A.; Kim, Jaehwan; Milner, Phillip J.; Porosoff, Marc D.; Barnett, Brandon R.","Selective adsorption of fluorinated super greenhouse gases within a metal-organic framework with dynamic corrugated ultramicropores.","Chemical science","2024","15","16","5964","5972","10.1039/d3sc07007g","","x-ray","1.54184","CuKα","","0.0627","0.0383","","","0.0775","0.0887","","","","","","1.081","","","","has coordinates","291572","2024-05-05","01:42:59",""
"1571272","21.2035","0.0005","21.2035","0.0005","7.6959","0.0002","90","","90","","120","","2996.44","0.13","298","0.1","298","0.1","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C17 H8 F6 O4 Zn -","- C17 H8 F6 O4 Zn -","- C102 H48 F36 O24 Zn6 -","6","0.5","","Whitehead, Bevan S.; Brennessel, William W.; Michtavy, Shane S.; Silva, Hope A.; Kim, Jaehwan; Milner, Phillip J.; Porosoff, Marc D.; Barnett, Brandon R.","Selective adsorption of fluorinated super greenhouse gases within a metal-organic framework with dynamic corrugated ultramicropores.","Chemical science","2024","15","16","5964","5972","10.1039/d3sc07007g","","x-ray","1.54184","CuKα","","0.0598","0.0399","","","0.0942","0.1032","","","","","","1.024","","","","has coordinates","291572","2024-05-05","01:43:06",""
"1571273","21.2057","0.0007","21.2057","0.0007","7.6878","0.0002","90","","90","","120","","2993.9","0.16","249.99","0.1","249.99","0.1","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C17 H8 F6 O4 Zn -","- C17 H8 F6 O4 Zn -","- C102 H48 F36 O24 Zn6 -","6","0.5","","Whitehead, Bevan S.; Brennessel, William W.; Michtavy, Shane S.; Silva, Hope A.; Kim, Jaehwan; Milner, Phillip J.; Porosoff, Marc D.; Barnett, Brandon R.","Selective adsorption of fluorinated super greenhouse gases within a metal-organic framework with dynamic corrugated ultramicropores.","Chemical science","2024","15","16","5964","5972","10.1039/d3sc07007g","","x-ray","1.54184","CuKα","","0.0592","0.0368","","","0.0806","0.0886","","","","","","1.017","","","","has coordinates","291572","2024-05-05","01:43:06",""
"1571274","21.2065","0.0006","21.2065","0.0006","7.6905","0.0003","90","","90","","120","","2995.18","0.17","250","0.1","250","0.1","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C17 H8 F6 O4 Zn -","- C17 H8 F6 O4 Zn -","- C102 H48 F36 O24 Zn6 -","6","0.5","","Whitehead, Bevan S.; Brennessel, William W.; Michtavy, Shane S.; Silva, Hope A.; Kim, Jaehwan; Milner, Phillip J.; Porosoff, Marc D.; Barnett, Brandon R.","Selective adsorption of fluorinated super greenhouse gases within a metal-organic framework with dynamic corrugated ultramicropores.","Chemical science","2024","15","16","5964","5972","10.1039/d3sc07007g","","x-ray","1.54184","CuKα","","0.1044","0.0547","","","0.1368","0.1783","","","","","","1.047","","","","has coordinates","291572","2024-05-05","01:43:06",""
"1571275","21.2008","0.0006","21.2008","0.0006","7.6911","0.0002","90","","90","","120","","2993.81","0.14","272.99","0.1","272.99","0.1","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C17 H8 F6 O4 Zn -","- C17 H8 F6 O4 Zn -","- C102 H48 F36 O24 Zn6 -","6","0.5","","Whitehead, Bevan S.; Brennessel, William W.; Michtavy, Shane S.; Silva, Hope A.; Kim, Jaehwan; Milner, Phillip J.; Porosoff, Marc D.; Barnett, Brandon R.","Selective adsorption of fluorinated super greenhouse gases within a metal-organic framework with dynamic corrugated ultramicropores.","Chemical science","2024","15","16","5964","5972","10.1039/d3sc07007g","","x-ray","1.54184","CuKα","","0.0519","0.0344","","","0.0763","0.082","","","","","","1.055","","","","has coordinates","291572","2024-05-05","01:43:06",""
"1571276","8.8939","0.0005","10.6953","0.0007","11.302","0.0008","109.349","0.002","98.738","0.002","98.497","0.002","979.7","0.11","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H13 F3 N2 O6 S3 -","- C16 H13 F3 N2 O6 S3 -","- C32 H26 F6 N4 O12 S6 -","2","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.0298","0.0279","","","0.0789","0.0806","","","","","","1.036","","","","has coordinates,has disorder","291570","2024-05-05","01:41:25",""
"1571277","11.2326","0.0006","18.0655","0.0009","14.1136","0.0004","90","","101.844","0.001","90","","2803","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 F6 O3.5 S2 -","- C31 H25 F6 O3.5 S2 -","- C124 H100 F24 O14 S8 -","4","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.0375","0.0343","","","0.0893","0.0919","","","","","","1.038","","","","has coordinates,has disorder","291570","2024-05-05","01:41:35",""
"1571278","10.6503","0.0016","11.1577","0.0017","12.0098","0.0018","109.986","0.004","98.765","0.004","97.218","0.005","1301.1","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 F4 N2 O5 S2 -","- C25 H22 F4 N2 O5 S2 -","- C50 H44 F8 N4 O10 S4 -","2","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.0368","0.0332","","","0.0901","0.0934","","","","","","1.036","","","","has coordinates","291570","2024-05-05","01:41:36",""
"1571279","10.5731","0.0018","13.509","0.002","18.976","0.003","103.841","0.005","96.946","0.004","107.996","0.005","2446.6","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H39 F6 N5 O9 S4 -","- C46 H36 F6 N4 O9 S4 -","- C92 H72 F12 N8 O18 S8 -","2","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.0578","0.0449","","","0.1169","0.123","","","","","","1.146","","","","has coordinates,has disorder","291570","2024-05-05","01:41:36",""
"1571280","10.7059","0.0007","16.869","0.0007","12.6192","0.0008","90","","106.941","0.002","90","","2180.1","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 B F4 O2 S -","- C23 H25 B F4 O2 S -","- C92 H100 B4 F16 O8 S4 -","4","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.0311","0.0296","","","0.0823","0.0837","","","","","","1.031","","","","has coordinates,has disorder","291570","2024-05-05","01:41:36",""
"1571281","9.7055","0.0006","11.9141","0.0009","12.9664","0.001","79.46","0.002","68.373","0.002","70.766","0.002","1312.75","0.16","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H23 B F7 N S -","- C30 H23 B F7 N S -","- C60 H46 B2 F14 N2 S2 -","2","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.0434","0.0399","","","0.1085","0.1116","","","","","","1.046","","","","has coordinates","291570","2024-05-05","01:41:36",""
"1571282","11.2625","0.0015","11.5958","0.0016","12.8133","0.0018","108.624","0.004","94.05","0.004","114.412","0.004","1403.6","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H19 Cl4 F3 N2 O4 S2 -","- C24 H19 Cl4 F3 N2 O4 S2 -","- C48 H38 Cl8 F6 N4 O8 S4 -","2","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.0421","0.0387","","","0.1094","0.1132","","","","","","1.043","","","","has coordinates","291570","2024-05-05","01:41:36",""
"1571283","8.945","0.002","9.215","0.003","14.225","0.004","97.773","0.008","102.84","0.008","111.165","0.008","1035.7","0.5","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H20 O S -","- C29 H20 O S -","- C58 H40 O2 S2 -","2","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.0498","0.0426","","","0.1143","0.1197","","","","","","1.089","","","","has coordinates,has disorder","291570","2024-05-05","01:41:36",""
"1571284","9.4954","0.0008","11.2014","0.0012","11.5541","0.0011","72.592","0.003","87.789","0.003","68.141","0.003","1084.64","0.18","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22 O S -","- C30 H22 O S -","- C60 H44 O2 S2 -","2","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.0427","0.0378","","","0.1017","0.1061","","","","","","1.037","","","","has coordinates","291570","2024-05-05","01:41:36",""
"1571285","8.946","0.002","10.892","0.003","12.669","0.004","95.044","0.007","109.263","0.011","93.731","0.009","1155","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 B F7 O2 S -","- C26 H20 B F6.9991 O2 S -","- C52 H40 B2 F13.9982 O4 S2 -","2","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.0447","0.0375","","","0.0947","0.1006","","","","","","1.028","","","","has coordinates,has disorder","291570","2024-05-05","01:41:36",""
"1571286","7.4771","0.0006","9.2628","0.0008","15.6995","0.0014","75.56","0.003","84.91","0.004","85.28","0.005","1046.79","0.16","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H25 B F4 O2 S -","- C23 H25 B F4 O2 S -","- C46 H50 B2 F8 O4 S2 -","2","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.0447","0.0394","","","0.1007","0.1053","","","","","","1.058","","","","has coordinates,has disorder","291570","2024-05-05","01:41:36",""
"1571287","12.1265","0.0005","11.7452","0.0005","19.7744","0.0009","90","","106.223","0.002","90","","2704.3","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H25 F3 O5 S2 -","- C31 H25 F3 O5 S2 -","- C124 H100 F12 O20 S8 -","4","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.036","0.0341","","","0.095","0.0966","","","","","","1.057","","","","has coordinates","291570","2024-05-05","01:41:36",""
"1571288","8.9043","0.001","11.4746","0.0013","12.294","0.0012","92.737","0.003","99.024","0.003","111.462","0.003","1147","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C25 H20 B Br F4 O2 S -","- C25 H20 B Br F4 O2 S -","- C50 H40 B2 Br2 F8 O4 S2 -","2","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.0337","0.0285","","","0.07","0.0729","","","","","","1.022","","","","has coordinates","291570","2024-05-05","01:41:36",""
"1571289","9.3811","0.0006","10.8726","0.0011","12.1464","0.001","63.826","0.002","68.524","0.004","80.59","0.002","1034.66","0.15","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 B F7 S -","- C23 H16 B F7 S -","- C46 H32 B2 F14 S2 -","2","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.0433","0.0403","","","0.111","0.1133","","","","","","1.085","","","","has coordinates,has disorder","291570","2024-05-05","01:41:36",""
"1571290","6.8498","0.0016","9.93","0.002","15.949","0.004","78.205","0.008","88.999","0.01","81.864","0.011","1051.2","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H15 F3 O4 S2 -","- C22 H15 F3 O4 S2 -","- C44 H30 F6 O8 S4 -","2","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.0479","0.0399","","","0.0982","0.1042","","","","","","1.026","","","","has coordinates","291570","2024-05-05","01:41:36",""
"1571291","15.2188","0.0005","19.6877","0.0007","20.5242","0.0006","65.104","0.003","85.72","0.003","69.053","0.003","5188.5","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C94 H110 N2 Na2 O12 S8 Zr2 -","- C94 H110 N2 Na2 O12 S8 Zr2 -","- C188 H220 N4 Na4 O24 S16 Zr4 -","2","1","","Li, Liang-Jun; Mu, Wen-Lei; Tian, Yi-Qi; Yu, Wei-Dong; Li, Lan-Yan; Yan, Jun; Liu, Chao","Ag<sup>1+</sup> incorporation <i>via</i> a Zr<sup>4+</sup>-anchored metalloligand: fine-tuning catalytic Ag sites in Zr/Ag bimetallic clusters for enhanced eCO<sub>2</sub>RR-to-CO activity.","Chemical science","2024","15","20","7643","7650","10.1039/d3sc07005k","","x-ray","1.54184","CuKα","","0.0633","0.0502","","","0.126","0.1372","","","","","","1.013","","","","has coordinates,has disorder","292907","2024-07-05","15:02:49",""
"1571292","26.4396","0.0002","12.2954","0.00011","32.4346","0.0003","90","","90","","90","","10544","0.16","150","","150","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C100 H122 Ag2 N4 O14 S8 Zr2 -","- C100 H122 Ag2 N4 O14 S8 Zr2 -","- C400 H488 Ag8 N16 O56 S32 Zr8 -","4","0.5","","Li, Liang-Jun; Mu, Wen-Lei; Tian, Yi-Qi; Yu, Wei-Dong; Li, Lan-Yan; Yan, Jun; Liu, Chao","Ag<sup>1+</sup> incorporation <i>via</i> a Zr<sup>4+</sup>-anchored metalloligand: fine-tuning catalytic Ag sites in Zr/Ag bimetallic clusters for enhanced eCO<sub>2</sub>RR-to-CO activity.","Chemical science","2024","15","20","7643","7650","10.1039/d3sc07005k","","x-ray","1.54184","CuKα","","0.0418","0.0354","","","0.0915","0.0957","","","","","","1.028","","","","has coordinates,has disorder","292907","2024-07-05","15:02:50",""
"1571293","21.2954","0.0004","42.655","0.0009","26.1848","0.0005","90","","109.152","0.002","90","","22468.6","0.8","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C174 H184 Ag6 O22 S16 Zr2 -","- C174 H184 Ag6 O22 S16 Zr2 -","- C696 H736 Ag24 O88 S64 Zr8 -","4","1","","Li, Liang-Jun; Mu, Wen-Lei; Tian, Yi-Qi; Yu, Wei-Dong; Li, Lan-Yan; Yan, Jun; Liu, Chao","Ag<sup>1+</sup> incorporation <i>via</i> a Zr<sup>4+</sup>-anchored metalloligand: fine-tuning catalytic Ag sites in Zr/Ag bimetallic clusters for enhanced eCO<sub>2</sub>RR-to-CO activity.","Chemical science","2024","15","20","7643","7650","10.1039/d3sc07005k","","x-ray","1.34139","GaKα","","0.1801","0.1535","","","0.3093","0.3258","","","","","","1.174","","","","has coordinates,has disorder","292907","2024-07-05","15:02:51",""
"1571294","19.50529","0.00011","36.9188","0.0002","32.66914","0.00016","90","","98.6186","0.0005","90","","23259.8","0.2","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C197 H228 Ag7 N4 O25 S16 Zr2 -","- C197 H228 Ag7 N4 O25 S16 Zr2 -","- C788 H912 Ag28 N16 O100 S64 Zr8 -","4","1","","Li, Liang-Jun; Mu, Wen-Lei; Tian, Yi-Qi; Yu, Wei-Dong; Li, Lan-Yan; Yan, Jun; Liu, Chao","Ag<sup>1+</sup> incorporation <i>via</i> a Zr<sup>4+</sup>-anchored metalloligand: fine-tuning catalytic Ag sites in Zr/Ag bimetallic clusters for enhanced eCO<sub>2</sub>RR-to-CO activity.","Chemical science","2024","15","20","7643","7650","10.1039/d3sc07005k","","x-ray","1.54184","CuKα","","0.0845","0.0672","","","0.1835","0.1947","","","","","","1.074","","","","has coordinates,has disorder","292907","2024-07-05","15:02:59",""
"1571295","29.9395","0.0003","27.5788","0.0003","7.07968","0.00009","90","","90","","90","","5845.66","0.11","100","","100","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C17 H15.25 F N2 O2.125 -","- C17 H15.25 F N2 O2.125 -","- C272 H244 F16 N32 O34 -","16","1","","Venkatesh, Yarra; Marotta, Nicholas P.; Lee, Virginia M.-Y.; Petersson, E. James","Highly tunable bimane-based fluorescent probes: design, synthesis, and application as a selective amyloid binding dye.","Chemical science","2024","15","16","6053","6063","10.1039/d4sc00024b","","x-ray","1.54184","CuKα","","0.0369","0.0365","","","0.0978","0.0982","","","","","","1.087","","","","has coordinates","291566","2024-05-05","01:38:03",""
"1571296","3.85501","0.00008","13.319","0.0003","14.7962","0.0003","90","","94.88","0.002","90","","756.96","0.03","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 N3 O4 -","- C17 H15 N3 O4 -","- C34 H30 N6 O8 -","2","1","","Venkatesh, Yarra; Marotta, Nicholas P.; Lee, Virginia M.-Y.; Petersson, E. James","Highly tunable bimane-based fluorescent probes: design, synthesis, and application as a selective amyloid binding dye.","Chemical science","2024","15","16","6053","6063","10.1039/d4sc00024b","","x-ray","0.71073","MoKα","","0.0241","0.0237","","","0.0626","0.0629","","","","","","1.029","","","","has coordinates","291566","2024-05-05","01:38:06",""
"1571297","7.0514","0.0006","17.1123","0.001","30.72","0.002","90","","91.352","0.008","90","","3705.8","0.5","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N3 O3 -","- C20 H25 N3 O3 -","- C160 H200 N24 O24 -","8","2","","Venkatesh, Yarra; Marotta, Nicholas P.; Lee, Virginia M.-Y.; Petersson, E. James","Highly tunable bimane-based fluorescent probes: design, synthesis, and application as a selective amyloid binding dye.","Chemical science","2024","15","16","6053","6063","10.1039/d4sc00024b","","x-ray","0.71073","MoKα","","0.1047","0.0719","","","0.1949","0.2144","","","","","","1.047","","","","has coordinates","291566","2024-05-05","01:38:06",""
"1571298","16.5216","0.0001","16.5216","0.0001","20.1532","0.0003","90","","90","","90","","5501.08","0.09","298","2","298.15","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C32 H28 F3 N O2 -","- C32 H28 F3 N O2 -","- C256 H224 F24 N8 O16 -","8","1","","Lu, Yi-Nan; Che, Chao; Zhen, Guangjin; Chang, Xin; Dong, Xiu-Qin; Wang, Chun-Jiang","Visible-light-enabled stereoselective synthesis of functionalized cyclohexylamine derivatives <i>via</i> [4 + 2] cycloadditions.","Chemical science","2024","15","17","6507","6514","10.1039/d4sc00667d","","x-ray","1.54178","CuKα","","0.0845","0.0614","","","0.1844","0.2011","","","","","","1.049","","","","has coordinates","291564","2024-05-05","01:37:05",""
"1571299","22.7125","0.0003","7.217","0.0001","22.9642","0.0003","90","","90","","90","","3764.2","0.09","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H24 O -","- C26 H24 O -","- C208 H192 O8 -","8","1","","Lu, Yi-Nan; Che, Chao; Zhen, Guangjin; Chang, Xin; Dong, Xiu-Qin; Wang, Chun-Jiang","Visible-light-enabled stereoselective synthesis of functionalized cyclohexylamine derivatives <i>via</i> [4 + 2] cycloadditions.","Chemical science","2024","15","17","6507","6514","10.1039/d4sc00667d","","x-ray","1.54184","CuKα","","0.0445","0.042","","","0.1107","0.1129","","","","","","1.036","","","","has coordinates","291564","2024-05-05","01:37:07",""
"1571300","9.5911","0.0001","23.4883","0.0004","11.486","0.0002","90","","97.703","0.001","90","","2564.2","0.07","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 F3 N O2 -","- C32 H28 F3 N O2 -","- C128 H112 F12 N4 O8 -","4","1","","Lu, Yi-Nan; Che, Chao; Zhen, Guangjin; Chang, Xin; Dong, Xiu-Qin; Wang, Chun-Jiang","Visible-light-enabled stereoselective synthesis of functionalized cyclohexylamine derivatives <i>via</i> [4 + 2] cycloadditions.","Chemical science","2024","15","17","6507","6514","10.1039/d4sc00667d","","x-ray","1.54178","CuKα","","0.0485","0.038","","","0.0955","0.1006","","","","","","1.083","","","","has coordinates","291564","2024-05-05","01:37:07",""
"1571301","22.681","0.005","13.694","0.003","35.586","0.007","90","","101.482","0.004","90","","10832","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48.75 H32.25 N9.25 O14 Tb2 -","- C48.75 H32.25 N9.25 O14 Tb2 -","- C390 H258 N74 O112 Tb16 -","8","1","","Wang, Xinrui; Gopalsamy, Karuppasamy; Clavier, Gilles; Maurin, Guillaume; Ding, Bin; Tissot, Antoine; Serre, Christian","Lanthanide MOF-based luminescent sensor arrays for the detection of castration-resistant prostate cancer curing drugs and biomarkers.","Chemical science","2024","15","17","6488","6499","10.1039/d3sc06899d","","","0.71073","MoKα","","0.1329","0.1254","","","0.3347","0.3392","","","","","","1.005","","","","has coordinates,has disorder","291562","2024-05-05","01:35:37",""
"1571302","22.6951","0.0013","13.7413","0.0006","35.681","0.003","90","","101.363","0.006","90","","10909.4","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49.35 H33.25 Eu2 N9.45 O14 -","- C49.35 H33.25 Eu2 N9.45 O14 -","- C394.8 H266 Eu16 N75.6 O112 -","8","1","","Wang, Xinrui; Gopalsamy, Karuppasamy; Clavier, Gilles; Maurin, Guillaume; Ding, Bin; Tissot, Antoine; Serre, Christian","Lanthanide MOF-based luminescent sensor arrays for the detection of castration-resistant prostate cancer curing drugs and biomarkers.","Chemical science","2024","15","17","6488","6499","10.1039/d3sc06899d","","x-ray","0.71073","MoKα","","0.0657","0.05","","","0.1109","0.1195","","","","","","1.086","","","","has coordinates,has disorder","291562","2024-05-05","01:35:40",""
"1571303","22.3154","0.0002","9.7484","0.0001","11.297","0.0001","90","","92.656","0.001","90","","2454.9","0.04","99.99","0.11","99.99","0.11","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 O6 -","- C30 H32 O6 -","- C120 H128 O24 -","4","1","","Chen, Bolin; Zhang, Xijing; Yang, Yufen; Xu, Dongdong; Wu, Qianwei; Wang, Shibo; Bao, Shiqi; Zhang, Xuemei; Ding, Yahui; Wang, Liang; Chen, Yue","Hypocretenolides: collective total syntheses and activities toward metastatic colon cancer.","Chemical science","2024","15","17","6397","6401","10.1039/d4sc01469c","","x-ray","1.54184","CuKα","","0.0379","0.0355","","","0.0902","0.0918","","","","","","1.05","","","","has coordinates","291560","2024-05-05","01:33:59",""
"1571304","8.5784","0.0007","8.7025","0.0004","9.1689","0.0005","101.163","0.004","92.706","0.006","105.082","0.005","644.96","0.07","301.17","0.1","301.17","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C11 H10 N O -","- C10 H12.6667 N0.666667 O1.33333 -","- C30 H38 N2 O4 -","3","1.5","","Chen, Bolin; Zhang, Xijing; Yang, Yufen; Xu, Dongdong; Wu, Qianwei; Wang, Shibo; Bao, Shiqi; Zhang, Xuemei; Ding, Yahui; Wang, Liang; Chen, Yue","Hypocretenolides: collective total syntheses and activities toward metastatic colon cancer.","Chemical science","2024","15","17","6397","6401","10.1039/d4sc01469c","","x-ray","1.54184","CuKα","","0.0615","0.0517","","","0.1588","0.1668","","","","","","0.908","","","","has coordinates","291560","2024-05-05","01:34:02",""
"1571305","11.361","0.004","20.063","0.007","9.862","0.004","90","","116.079","0.016","90","","2019","1.3","293","","293","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C24 H28 O2 -","- C24 H28 O2 -","- C96 H112 O8 -","4","1","","Xu, Fan; Sheng, Jinyu; Stindt, Charlotte N.; Crespi, Stefano; Danowski, Wojciech; Hilbers, Michiel F.; Buma, Wybren Jan; Feringa, Ben L.","All-visible-light-driven stiff-stilbene photoswitches.","Chemical science","2024","15","18","6763","6769","10.1039/d4sc00983e","","","0.71073","MoKα","","0.0843","0.0547","","","0.1097","0.1258","","","","","","1.026","","","","has coordinates","292917","2024-07-05","15:06:26",""
"1571306","13.2599","0.0018","8.8008","0.0013","15.7527","0.0019","90","","110.535","0.005","90","","1721.5","0.4","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 O2 -","- C22 H24 O2 -","- C88 H96 O8 -","4","1","","Xu, Fan; Sheng, Jinyu; Stindt, Charlotte N.; Crespi, Stefano; Danowski, Wojciech; Hilbers, Michiel F.; Buma, Wybren Jan; Feringa, Ben L.","All-visible-light-driven stiff-stilbene photoswitches.","Chemical science","2024","15","18","6763","6769","10.1039/d4sc00983e","","","0.71073","MoKα","","0.0971","0.0612","","","0.1238","0.1476","","","","","","1.061","","","","has coordinates","292917","2024-07-05","15:06:27",""
"1571307","9.6167","0.0008","12.0209","0.001","18.8367","0.0016","90","","90","","90","","2177.5","0.3","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 O4 -","- C26 H28 O4 -","- C104 H112 O16 -","4","1","","Xu, Fan; Sheng, Jinyu; Stindt, Charlotte N.; Crespi, Stefano; Danowski, Wojciech; Hilbers, Michiel F.; Buma, Wybren Jan; Feringa, Ben L.","All-visible-light-driven stiff-stilbene photoswitches.","Chemical science","2024","15","18","6763","6769","10.1039/d4sc00983e","","","0.71073","MoKα","","0.0766","0.0545","","","0.1163","0.1297","","","","","","1.025","","","","has coordinates","292917","2024-07-05","15:06:27",""
"1571308","13.827","0.0008","11.0385","0.0005","16.8969","0.0007","90","","92.719","0.004","90","","2576.1","0.2","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 N2 O3 S -","- C32 H26 N2 O3 S -","- C128 H104 N8 O12 S4 -","4","1","","Chaturvedi, Atul K.; Shukla, Rahul K.; Volla, Chandra M. R.","Rh(iii)-catalyzed sp<sup>3</sup>/sp<sup>2</sup>-C-H heteroarylations <i>via</i> cascade C-H activation and cyclization.","Chemical science","2024","15","17","6544","6551","10.1039/d3sc06955a","","x-ray","0.71073","MoKα","","0.0734","0.0494","","","0.1101","0.126","","","","","","1.021","","","","has coordinates","291563","2024-05-05","01:36:04",""
"1571309","9.3547","0.0002","11.556","0.0003","12.3884","0.0003","88.421","0.002","69.933","0.002","76.069","0.002","1218.69","0.05","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H24 N2 O2 S -","- C31 H24 N2 O2 S -","- C62 H48 N4 O4 S2 -","2","1","","Chaturvedi, Atul K.; Shukla, Rahul K.; Volla, Chandra M. R.","Rh(iii)-catalyzed sp<sup>3</sup>/sp<sup>2</sup>-C-H heteroarylations <i>via</i> cascade C-H activation and cyclization.","Chemical science","2024","15","17","6544","6551","10.1039/d3sc06955a","","","1.54184","CuKα","","0.0827","0.0683","","","0.1885","0.2237","","","","","","1.033","","","","has coordinates","291563","2024-05-05","01:36:06",""
"1571310","15.1491","0.0013","8.24","0.0006","17.97","0.0013","90","","91.932","0.004","90","","2241.9","0.3","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","P2Mac","","- C26 H24 N6 O3 -","- C26 H24 N6 O3 -","- C104 H96 N24 O12 -","4","1","","Pradhan, Nyaya Prakash; Gupta, Sweety; Ghosh, Swapnendu Narayan; Paul, Amit; Talukder, Santanu; Srivastava, Aasheesh","Self-assembly of water-filled molecular saddles to generate diverse morphologies and high proton conductivity.","Nanoscale","2024","16","17","8427","8433","10.1039/d4nr00456f","","","0.71073","MoKα","","0.1239","0.0539","","","0.1107","0.1445","","","","","","1.0134","","","","has coordinates","291662","2024-05-05","03:39:58",""
"1571311","21.5917","0.0004","23.598","0.0005","26.7319","0.0005","95.805","0.002","110.205","0.002","97.054","0.002","12533.9","0.5","150","2","149.99","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C208 H139 Ag12 Au5 F54 Fe4 P8 S9 -","- C208 H139 Ag12 Au5 F54 Fe4 P8 S9 -","- C416 H278 Ag24 Au10 F108 Fe8 P16 S18 -","2","1","","Wang, Jiawei; Ma, Along; Ren, Yonggang; Shen, Xuekairui; Wang, Yifei; Song, Caixia; Wang, Shuxin","An Au<sub>5</sub>Ag<sub>12</sub>(SR)<sub>9</sub>(dppf)<sub>4</sub> alloy nanocluster: structural determination and optical property and photothermal conversion investigation.","Nanoscale","2024","16","18","9047","9054","10.1039/d4nr00312h","","","0.71073","MoKα","","0.1116","0.0736","","","0.1863","0.2037","","","","","","1.093","","","","has coordinates","293180","2024-07-05","17:30:48",""
"1571312","26.718","0.004","9.8834","0.0013","20.648","0.003","90","","90","","90","","5452.4","1.3","125","2","125","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","Bis[2,6-bis(1<i>H</i>-benzimidazol-2-yl)pyridine]ruthenium(II) bis(hexafluoridophosphate) diethyl ether trisolvate","","- C50 H56 F12 N10 O3 P2 Ru -","- C50 H56 F12 N10 O3 P2 Ru -","- C200 H224 F48 N40 O12 P8 Ru4 -","4","1","BT4148","Althubyani, Layla M.; MacLean, Brian J.; Robertson, Katherine N.; Aquino, Manuel A.S.","Bis[2,6-bis(1H-benzimidazol-2-yl)pyridine]ruthenium(II) bis(hexafluoridophosphate) diethyl ether trisolvate","IUCrData","2024","9","3","","","10.1107/S2414314624002694","","","0.71073","MoKα","","0.1046","0.092","","","0.1934","0.1987","","","","","","1.184","","","","has coordinates","290712","2024-03-29","03:15:51",""
"1571313","4.4453","0.0006","8.1098","0.001","12.7463","0.0018","90","","90","","90","","459.51","0.11","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- As B F H4 N O4 -","- As B F H4 N O4 -","- As4 B4 F4 H16 N4 O16 -","4","1","","Bai, Zhiyong; Lee, Jihyun; Hu, Chun-Li; Zou, Guohong; Ok, Kang Min","Hydrogen bonding bolstered head-to-tail ligation of functional chromophores in a 0D SbF<sub>3</sub>·glycine adduct for a short-wave ultraviolet nonlinear optical material.","Chemical science","2024","15","17","6572","6576","10.1039/d4sc01353k","","x-ray","1.3405","GaKα","","0.0667","0.0616","","","0.1548","0.1764","","","","","","1.154","","","","has coordinates","291565","2024-05-05","01:37:30",""
"1571314","21.54594","0.00012","25.73674","0.00014","29.44669","0.00016","73.2304","0.0005","71.3145","0.0005","72.7778","0.0005","14432.2","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C152 H184 N6 O24 -","- C126 H112 N6 O10 -","- C504 H448 N24 O40 -","4","2","","Andrews, Keith G.; Horton, Peter N.; Coles, Simon J.","Programmable synthesis of organic cages with reduced symmetry.","Chemical science","2024","15","17","6536","6543","10.1039/d4sc00889h","","x-ray","1.54178","CuKα","","0.1194","0.1109","","","0.3439","0.353","","","","","","1.053","","","","has coordinates,has disorder","291556","2024-05-05","01:31:18",""
"1571315","22.249","0.001","42.9082","0.0014","23.6046","0.0004","90","","92.591","0.003","90","","22511.4","1.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C220 H264 N6 O21 -","- C176 H176 N6 O10 -","- C704 H704 N24 O40 -","4","1","","Andrews, Keith G.; Horton, Peter N.; Coles, Simon J.","Programmable synthesis of organic cages with reduced symmetry.","Chemical science","2024","15","17","6536","6543","10.1039/d4sc00889h","","x-ray","1.54178","CuKα","","0.1168","0.0879","","","0.2385","0.272","","","","","","1.002","","","","has coordinates","291556","2024-05-05","01:31:22",""
"1571316","20.2715","0.0006","42.387","0.003","25.285","0.0007","90","","91.715","0.002","90","","21716.4","1.8","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C182 H230 N12 O31 -","- C122 H110 N12 O10 -","- C488 H440 N48 O40 -","4","2","","Andrews, Keith G.; Horton, Peter N.; Coles, Simon J.","Programmable synthesis of organic cages with reduced symmetry.","Chemical science","2024","15","17","6536","6543","10.1039/d4sc00889h","","x-ray","1.54178","CuKα","K-L~3~","0.1101","0.0898","","","0.2452","0.2739","","","","","","1.07","","","","has coordinates","291556","2024-05-05","01:31:22",""
"1571317","11.4532","0.0005","29.5233","0.0009","23.5755","0.0008","90","","97.369","0.004","90","","7905.9","0.5","140","0.1","140","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H139 Fe2 N6 P8 Si4 Sm -","- C55 H139 Fe2 N6 P8 Si4 Sm -","- C220 H556 Fe8 N24 P32 Si16 Sm4 -","4","1","","Jori, Nadir; Moreno, Juan J.; Shivaraam, R. A. Keerthi; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Campos, Jesús; Mazzanti, Marinella","Iron promoted end-on dinitrogen-bridging in heterobimetallic complexes of uranium and lanthanides.","Chemical science","2024","15","18","6842","6852","10.1039/d4sc01050g","","x-ray","1.54184","CuKα","","0.1143","0.0585","","","0.103","0.1237","","","","","","0.976","","","","has coordinates","292915","2024-07-05","15:06:05",""
"1571318","20.9865","0.0004","19.1066","0.0005","25.5457","0.0005","90","","90","","90","","10243.3","0.4","200.15","","200.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H84 Fe N4 P4 Si4 Sm -","- C32 H84 Fe N4 P4 Si4 Sm -","- C256 H672 Fe8 N32 P32 Si32 Sm8 -","8","1","","Jori, Nadir; Moreno, Juan J.; Shivaraam, R. A. Keerthi; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Campos, Jesús; Mazzanti, Marinella","Iron promoted end-on dinitrogen-bridging in heterobimetallic complexes of uranium and lanthanides.","Chemical science","2024","15","18","6842","6852","10.1039/d4sc01050g","","x-ray","1.54184","CuKα","","0.0532","0.0378","","","0.0905","0.0995","","","","","","1.02","","","","has coordinates","292915","2024-07-05","15:06:05",""
"1571319","10.35562","0.00015","36.8715","0.0003","14.64313","0.00018","90","","99.5143","0.0013","90","","5514.24","0.12","200.07","0.16","200.07","0.16","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H93.2 Fe N4 O P4 Si4 Yb -","- C36 H93.2 Fe N4 O P4 Si4 Yb -","- C144 H372.8 Fe4 N16 O4 P16 Si16 Yb4 -","4","1","","Jori, Nadir; Moreno, Juan J.; Shivaraam, R. A. Keerthi; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Campos, Jesús; Mazzanti, Marinella","Iron promoted end-on dinitrogen-bridging in heterobimetallic complexes of uranium and lanthanides.","Chemical science","2024","15","18","6842","6852","10.1039/d4sc01050g","","x-ray","1.54184","CuKα","","0.0342","0.0314","","","0.08","0.0821","","","","","","1.066","","","","has coordinates,has disorder","292915","2024-07-05","15:06:05",""
"1571320","16.81721","0.00016","19.7326","0.0002","20.13034","0.00017","90","","90","","90","","6680.2","0.11","140","0.1","140","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C62 H111 Fe N2 O3 P4 U -","- C62 H111 Fe N2 O3 P4 U -","- C248 H444 Fe4 N8 O12 P16 U4 -","4","1","","Jori, Nadir; Moreno, Juan J.; Shivaraam, R. A. Keerthi; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Campos, Jesús; Mazzanti, Marinella","Iron promoted end-on dinitrogen-bridging in heterobimetallic complexes of uranium and lanthanides.","Chemical science","2024","15","18","6842","6852","10.1039/d4sc01050g","","x-ray","1.54184","CuKα","","0.0283","0.0263","","","0.0621","0.063","","","","","","1.091","","","","has coordinates,has disorder","292915","2024-07-05","15:06:05",""
"1571321","11.6015","0.00016","18.3958","0.0002","27.5562","0.0004","90","","94.1162","0.0012","90","","5865.84","0.13","139.99","0.1","139.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H102 Fe N5 P4 Si6 Tm -","- C38 H102 Fe N5 P4 Si6 Tm -","- C152 H408 Fe4 N20 P16 Si24 Tm4 -","4","1","","Jori, Nadir; Moreno, Juan J.; Shivaraam, R. A. Keerthi; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Campos, Jesús; Mazzanti, Marinella","Iron promoted end-on dinitrogen-bridging in heterobimetallic complexes of uranium and lanthanides.","Chemical science","2024","15","18","6842","6852","10.1039/d4sc01050g","","x-ray","1.54184","CuKα","","0.0497","0.0421","","","0.1111","0.1151","","","","","","1.046","","","","has coordinates","292915","2024-07-05","15:06:05",""
"1571322","11.56977","0.00016","19.2708","0.0005","27.3324","0.0007","78.622","0.002","89.5036","0.0015","89.1024","0.0016","5973.4","0.2","140","0.1","140","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C38 H102 Ce Fe N5 P4 Si6 -","- C38 H102 Ce Fe N5 P4 Si6 -","- C152 H408 Ce4 Fe4 N20 P16 Si24 -","4","2","","Jori, Nadir; Moreno, Juan J.; Shivaraam, R. A. Keerthi; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Campos, Jesús; Mazzanti, Marinella","Iron promoted end-on dinitrogen-bridging in heterobimetallic complexes of uranium and lanthanides.","Chemical science","2024","15","18","6842","6852","10.1039/d4sc01050g","","x-ray","1.54184","CuKα","","0.0721","0.0645","","","0.1805","0.1889","","","","","","1.04","","","","has coordinates","292915","2024-07-05","15:06:05",""
"1571323","11.8173","0.0005","18.0593","0.0007","27.8343","0.0012","90","","93.235","0.004","90","","5930.7","0.4","140","0.1","140","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H102 Fe N5 P4 Si6 Sm -","- C38 H102 Fe N5 P4 Si6 Sm -","- C152 H408 Fe4 N20 P16 Si24 Sm4 -","4","1","","Jori, Nadir; Moreno, Juan J.; Shivaraam, R. A. Keerthi; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Campos, Jesús; Mazzanti, Marinella","Iron promoted end-on dinitrogen-bridging in heterobimetallic complexes of uranium and lanthanides.","Chemical science","2024","15","18","6842","6852","10.1039/d4sc01050g","","x-ray","1.54184","CuKα","","0.0843","0.0659","","","0.188","0.204","","","","","","1.081","","","","has coordinates,has disorder","292915","2024-07-05","15:06:05",""
"1571324","11.6319","0.0005","18.3899","0.0009","27.7329","0.0015","90","","94.323","0.004","90","","5915.5","0.5","139.99","0.1","139.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H102 Dy Fe N5 P4 Si6 -","- C38 H102 Dy Fe N5 P4 Si6 -","- C152 H408 Dy4 Fe4 N20 P16 Si24 -","4","1","","Jori, Nadir; Moreno, Juan J.; Shivaraam, R. A. Keerthi; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Campos, Jesús; Mazzanti, Marinella","Iron promoted end-on dinitrogen-bridging in heterobimetallic complexes of uranium and lanthanides.","Chemical science","2024","15","18","6842","6852","10.1039/d4sc01050g","","x-ray","1.54184","CuKα","","0.1082","0.0603","","","0.1242","0.1357","","","","","","0.867","","","","has coordinates","292915","2024-07-05","15:06:05",""
"1571325","11.55749","0.00016","19.2532","0.0003","27.3197","0.0005","78.7323","0.0015","89.482","0.0013","89.047","0.0012","5961.04","0.17","140","0.1","140","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C38 H102 Fe N5 P4 Si6 U -","- C38 H102 Fe N5 P4 Si6 U -","- C152 H408 Fe4 N20 P16 Si24 U4 -","4","2","","Jori, Nadir; Moreno, Juan J.; Shivaraam, R. A. Keerthi; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Campos, Jesús; Mazzanti, Marinella","Iron promoted end-on dinitrogen-bridging in heterobimetallic complexes of uranium and lanthanides.","Chemical science","2024","15","18","6842","6852","10.1039/d4sc01050g","","x-ray","1.54184","CuKα","","0.0367","0.0306","","","0.069","0.0716","","","","","","1.008","","","","has coordinates,has disorder","292915","2024-07-05","15:06:05",""
"1571326","12.599","0.006","25.838","0.011","13.639","0.006","90","","116.756","0.005","90","","3965","3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C24 H20 F6 Fe N8 Ti -","- C24 H20 F6 Fe N8 Ti -","- C96 H80 F24 Fe4 N32 Ti4 -","4","0.5","","Liu, Shuang; Huang, Yuhang; Wan, Jingmeng; Zheng, Jia-Jia; Krishna, Rajamani; Li, Yi; Ge, Kai; Tang, Jie; Duan, Jingui","Fine-regulation of gradient gate-opening in nanoporous crystals for sieving separation of ternary C3 hydrocarbons.","Chemical science","2024","15","17","6583","6588","10.1039/d3sc05489f","","","0.71073","MoKα","","0.1415","0.0835","","","0.2181","0.2385","","","","","","1.039","","","","has coordinates","291557","2024-05-05","01:31:57",""
"1571327","13.517","0.016","25.27","0.03","12.693","0.015","90","","117.986","0.016","90","","3829","8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Co F6 N8 Zr -","- C24 H20 Co F6 N8 Zr -","- C96 H80 Co4 F24 N32 Zr4 -","4","1","","Liu, Shuang; Huang, Yuhang; Wan, Jingmeng; Zheng, Jia-Jia; Krishna, Rajamani; Li, Yi; Ge, Kai; Tang, Jie; Duan, Jingui","Fine-regulation of gradient gate-opening in nanoporous crystals for sieving separation of ternary C3 hydrocarbons.","Chemical science","2024","15","17","6583","6588","10.1039/d3sc05489f","","","0.71073","MoKα","","0.1347","0.0775","","","0.1522","0.1684","","","","","","1.018","","","","has coordinates","291557","2024-05-05","01:32:03",""
"1571328","13.709","0.008","25.837","0.015","12.83","0.008","90","","117.798","0.007","90","","4020","4","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 F6 Fe N8 O0 Zr -","- C24 H20 F6 Fe N8 Zr -","- C96 H80 F24 Fe4 N32 Zr4 -","4","1","","Liu, Shuang; Huang, Yuhang; Wan, Jingmeng; Zheng, Jia-Jia; Krishna, Rajamani; Li, Yi; Ge, Kai; Tang, Jie; Duan, Jingui","Fine-regulation of gradient gate-opening in nanoporous crystals for sieving separation of ternary C3 hydrocarbons.","Chemical science","2024","15","17","6583","6588","10.1039/d3sc05489f","","","0.71073","MoKα","","0.2202","0.1532","","","0.3496","0.3803","","","","","","1.108","","","","has coordinates","291557","2024-05-05","01:32:03",""
"1571329","13.667","0.008","25.634","0.014","12.72","0.007","90","","115.987","0.008","90","","4006","4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Co F6 N8 Ti -","- C24 H20 Co F6 N8 Ti -","- C96 H80 Co4 F24 N32 Ti4 -","4","1","","Liu, Shuang; Huang, Yuhang; Wan, Jingmeng; Zheng, Jia-Jia; Krishna, Rajamani; Li, Yi; Ge, Kai; Tang, Jie; Duan, Jingui","Fine-regulation of gradient gate-opening in nanoporous crystals for sieving separation of ternary C3 hydrocarbons.","Chemical science","2024","15","17","6583","6588","10.1039/d3sc05489f","","","0.71073","MoKα","","0.116","0.0591","","","0.1478","0.1635","","","","","","1.01","","","","has coordinates","291557","2024-05-05","01:32:03",""
"1571330","5.5635","0.0002","9.3426","0.0003","15.419","0.0005","98.598","0.001","96.263","0.001","103.897","0.001","760.41","0.04","250","","250","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H8 Bi O10 S2 -","- C14 H8 Bi O10 S2 -","- C28 H16 Bi2 O20 S4 -","2","1","","Shi, Cai; Gomez-Mendoza, Miguel; Gómez de Oliveira, Eloy; García-Tecedor, Miguel; Barawi, Mariam; Esteban-Betegón, Fátima; Liras, Marta; Gutiérrez-Puebla, Enrique; Monge, Angeles; de la Peña O'Shea, Víctor A; Gándara, Felipe","An anthraquinone-based bismuth-iron metal-organic framework as an efficient photoanode in photoelectrochemical cells.","Chemical science","2024","15","18","6860","6866","10.1039/d4sc00980k","","x-ray","1.54184","CuKα","","0.0238","0.023","","","0.0679","0.0686","","","","","","1.103","","","","has coordinates","292909","2024-07-05","15:03:45",""
"1571331","32.9343","0.0014","6.5367","0.0003","15.9709","0.0007","90","","93.563","0.001","90","","3431.6","0.3","250","","250.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H12 Bi2 Fe2 O23 S4 -","- C28 H12 Bi2 Fe2 O23 S4 -","- C112 H48 Bi8 Fe8 O92 S16 -","4","0.5","","Shi, Cai; Gomez-Mendoza, Miguel; Gómez de Oliveira, Eloy; García-Tecedor, Miguel; Barawi, Mariam; Esteban-Betegón, Fátima; Liras, Marta; Gutiérrez-Puebla, Enrique; Monge, Angeles; de la Peña O'Shea, Víctor A; Gándara, Felipe","An anthraquinone-based bismuth-iron metal-organic framework as an efficient photoanode in photoelectrochemical cells.","Chemical science","2024","15","18","6860","6866","10.1039/d4sc00980k","","x-ray","1.54178","CuKα","","0.0372","0.0372","","","0.0939","0.0939","","","","","","1.103","","","","has coordinates","292909","2024-07-05","15:03:46",""
"1571332","17.7326","0.0006","17.7326","0.0006","7.7899","0.0003","90","","90","","120","","2121.33","0.13","300","","300","","","","","","","","","4","P -6","P -6","174","","","","- Ba Ga6 Mg6 Se16 -","- Ba Ga6 Mg6 Se16 -","- Ba3 Ga18 Mg18 Se48 -","3","0.5","","Wang, Linan; Chu, Dongdong; Yang, Zhihua; Li, Junjie; Pan, Shilie","Wide band gap selenide infrared nonlinear optical materials A<sup>II</sup>Mg<sub>6</sub>Ga<sub>6</sub>Se<sub>16</sub> with strong SHG responses and high laser-induced damage thresholds.","Chemical science","2024","15","17","6577","6582","10.1039/d4sc00334a","","","0.71073","MoKα","","0.0338","0.0261","","","0.0618","0.067","","","","","","1.022","","","","has coordinates","291559","2024-05-05","01:33:19",""
"1571333","17.5327","0.0003","17.5327","0.0003","7.7603","0.0002","90","","90","","120","","2065.89","0.07","273.15","","273.15","","","","","","","","","4","P -6","P -6","174","","","","- Ca Ga6 Mg6 Se16 -","- Ca Ga6 Mg6 Se16 -","- Ca3 Ga18 Mg18 Se48 -","3","0.5","","Wang, Linan; Chu, Dongdong; Yang, Zhihua; Li, Junjie; Pan, Shilie","Wide band gap selenide infrared nonlinear optical materials A<sup>II</sup>Mg<sub>6</sub>Ga<sub>6</sub>Se<sub>16</sub> with strong SHG responses and high laser-induced damage thresholds.","Chemical science","2024","15","17","6577","6582","10.1039/d4sc00334a","","","0.71073","MoKα","","0.0537","0.0389","","","0.0989","0.1089","","","","","","1.081","","","","has coordinates","291559","2024-05-05","01:33:29",""
"1571334","17.6115","0.0009","17.6115","0.0009","7.7684","0.0003","90","","90","","120","","2086.68","0.17","300","","300","","","","","","","","","4","P -6","P -6","174","","","","- Ga6 Mg6 Se16 Sr -","- Ga6 Mg6 Se16 Sr -","- Ga18 Mg18 Se48 Sr3 -","3","0.5","","Wang, Linan; Chu, Dongdong; Yang, Zhihua; Li, Junjie; Pan, Shilie","Wide band gap selenide infrared nonlinear optical materials A<sup>II</sup>Mg<sub>6</sub>Ga<sub>6</sub>Se<sub>16</sub> with strong SHG responses and high laser-induced damage thresholds.","Chemical science","2024","15","17","6577","6582","10.1039/d4sc00334a","","","0.71073","MoKα","","0.0394","0.0243","","","0.0574","0.0647","","","","","","1.023","","","","has coordinates","291559","2024-05-05","01:33:29",""
"1571335","25.8699","0.0002","14.53966","0.00015","7.44906","0.00008","90","","90","","90","","2801.89","0.05","100","0.11","100","0.11","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C17 H16 N2 -","- C17 H16 N2 -","- C136 H128 N16 -","8","2","","Saleh, Nidal; Sucre-Rosales, Estefanía; Zinna, Francesco; Besnard, Céline; Vauthey, Eric; Lacour, Jérôme","Axially-chiral boramidine for detailed (chir)optical studies.","Chemical science","2024","15","17","6530","6535","10.1039/d4sc00870g","","x-ray","1.54184","CuKα","","0.0301","0.0292","","","0.0752","0.0759","","","","","","1.074","","","","has coordinates","291558","2024-05-05","01:32:27",""
"1571336","14.6488","0.0001","23.2014","0.0002","18.0516","0.0001","90","","95.193","0.001","90","","6110.06","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69 H67 Cl2 Si4 Sn2 -","- C69 H67 Cl2 Si4 Sn2 -","- C276 H268 Cl8 Si16 Sn8 -","4","1","","Sugamata, Koh; Asakawa, Teppei; Minoura, Mao","A tin analogue of propadiene with cumulated C[double bond, length as m-dash]Sn double bonds.","Chemical science","2024","15","19","7072","7078","10.1039/d4sc00093e","","","0.4139","Synchrotron","","0.0262","0.0233","","","0.0611","0.0622","","","","","","1.056","","","","has coordinates","292891","2024-07-05","14:58:28",""
"1571337","14.5967","0.0005","23.35","0.0008","18.0604","0.0006","90","","94.819","0.003","90","","6133.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69 H67 Br2 Si4 Sn2 -","- C69 H67 Br2 Si4 Sn2 -","- C276 H268 Br8 Si16 Sn8 -","4","1","","Sugamata, Koh; Asakawa, Teppei; Minoura, Mao","A tin analogue of propadiene with cumulated C[double bond, length as m-dash]Sn double bonds.","Chemical science","2024","15","19","7072","7078","10.1039/d4sc00093e","","","0.71073","MoKα","","0.07","0.0504","","","0.0963","0.1049","","","","","","1.103","","","","has coordinates","292891","2024-07-05","14:58:29",""
"1571338","11.2316","0.0003","12.9893","0.0004","17.563","0.0005","70.964","0.003","75.647","0.003","84.203","0.003","2345.98","0.13","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H56 O2 Si4 Sn -","- C54 H56 O2 Si4 Sn -","- C108 H112 O4 Si8 Sn2 -","2","1","","Sugamata, Koh; Asakawa, Teppei; Minoura, Mao","A tin analogue of propadiene with cumulated C[double bond, length as m-dash]Sn double bonds.","Chemical science","2024","15","19","7072","7078","10.1039/d4sc00093e","","","0.71073","MoKα","","0.0304","0.0264","","","0.0597","0.0614","","","","","","1.028","","","","has coordinates","292891","2024-07-05","14:58:29",""
"1571339","10.8346","0.0002","15.7565","0.0003","26.9143","0.0005","90","","90.212","0.002","90","","4594.65","0.15","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H52 Si4 Sn -","- C54 H52 Si4 Sn -","- C216 H208 Si16 Sn4 -","4","1","","Sugamata, Koh; Asakawa, Teppei; Minoura, Mao","A tin analogue of propadiene with cumulated C[double bond, length as m-dash]Sn double bonds.","Chemical science","2024","15","19","7072","7078","10.1039/d4sc00093e","","","0.71073","MoKα","","0.0288","0.0243","","","0.071","0.0733","","","","","","1.044","","","","has coordinates","292891","2024-07-05","14:58:29",""
"1571340","10.0462","0.0004","10.6969","0.0004","12.2851","0.0003","81.137","0.002","74.219","0.003","66.744","0.004","1165.58","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H52 Si4 Sn2 -","- C54 H52 Si4 Sn2 -","- C54 H52 Si4 Sn2 -","1","0.5","","Sugamata, Koh; Asakawa, Teppei; Minoura, Mao","A tin analogue of propadiene with cumulated C[double bond, length as m-dash]Sn double bonds.","Chemical science","2024","15","19","7072","7078","10.1039/d4sc00093e","","","0.71073","MoKα","","0.0168","0.0166","","","0.0435","0.0436","","","","","","1.046","","","","has coordinates","292891","2024-07-05","14:58:29",""
"1571341","11.5084","0.0004","13.1355","0.0005","17.4215","0.0007","71.074","0.004","75.05","0.004","84.125","0.003","2406.38","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H60 Si4 Sn -","- C56 H60 Si4 Sn -","- C112 H120 Si8 Sn2 -","2","1","","Sugamata, Koh; Asakawa, Teppei; Minoura, Mao","A tin analogue of propadiene with cumulated C[double bond, length as m-dash]Sn double bonds.","Chemical science","2024","15","19","7072","7078","10.1039/d4sc00093e","","","0.71073","MoKα","","0.0298","0.027","","","0.0546","0.0556","","","","","","1.059","","","","has coordinates","292891","2024-07-05","14:58:29",""
"1571342","14.49307","0.00015","14.6781","0.00014","20.2591","0.0003","89.6876","0.0009","88.754","0.001","89.3655","0.0008","4308.39","0.09","140","0.1","140","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C90.5 H112 Ce O10 Si4 -","- C90.5 H112 Ce O10 Si4 -","- C181 H224 Ce2 O20 Si8 -","2","1","","Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.","Chemical science","2024","15","18","6874","6883","10.1039/d4sc00051j","","x-ray","1.54184","CuKα","","0.0408","0.0354","","","0.0863","0.0887","","","","","","1.022","","","","has coordinates,has disorder","292913","2024-07-05","15:05:16",""
"1571343","13.9674","0.0004","18.1707","0.0004","21.7736","0.0004","89.0799","0.0015","88.765","0.002","87.017","0.002","5516.7","0.2","140.01","0.1","140.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C52 H77 O10 Si3 Tb -","- C52 H77 O10 Si3 Tb -","- C208 H308 O40 Si12 Tb4 -","4","2","","Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.","Chemical science","2024","15","18","6874","6883","10.1039/d4sc00051j","","x-ray","1.54184","CuKα","","0.0585","0.0421","","","0.0986","0.1072","","","","","","1.018","","","","has coordinates,has disorder","292913","2024-07-05","15:05:16",""
"1571344","11.1371","0.0002","14.2669","0.0003","24.2013","0.0005","106.086","0.0017","99.498","0.0018","93.6846","0.0016","3619.56","0.13","140","0.1","140","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C86 H85 O6 Si3 Tb -","- C86 H85 O6 Si3 Tb -","- C172 H170 O12 Si6 Tb2 -","2","1","","Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.","Chemical science","2024","15","18","6874","6883","10.1039/d4sc00051j","","x-ray","1.54184","CuKα","","0.0356","0.0316","","","0.0762","0.0786","","","","","","1.029","","","","has coordinates,has disorder","292913","2024-07-05","15:05:16",""
"1571345","13.79296","0.00019","22.3194","0.0002","18.4603","0.0002","90","","91.7441","0.0012","90","","5680.38","0.11","140","0.1","140","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H54 N3 O3 Si3 Tb -","- C66 H54 N3 O3 Si3 Tb -","- C264 H216 N12 O12 Si12 Tb4 -","4","1","","Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.","Chemical science","2024","15","18","6874","6883","10.1039/d4sc00051j","","x-ray","1.54184","CuKα","","0.065","0.0516","","","0.1396","0.1472","","","","","","1.035","","","","has coordinates,has disorder","292913","2024-07-05","15:05:16",""
"1571346","11.2033","0.0003","14.3534","0.0003","24.5094","0.0005","106.235","0.0018","99.3584","0.0018","93.8891","0.0017","3706.91","0.15","200","0.11","200","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C86 H85 Ce O6 Si3 -","- C86 H85 Ce O6 Si3 -","- C172 H170 Ce2 O12 Si6 -","2","1","","Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.","Chemical science","2024","15","18","6874","6883","10.1039/d4sc00051j","","x-ray","1.54184","CuKα","","0.0421","0.0363","","","0.0891","0.0947","","","","","","1.011","","","","has coordinates,has disorder","292913","2024-07-05","15:05:16",""
"1571347","14.7864","0.0003","14.7864","0.0003","55.7285","0.001","90","","90","","120","","10552","0.4","199.99","0.12","199.99","0.12","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C98.8 H149.6 K O18.2 Si4 Tb -","- C87.9996 H127.999 K O15.4999 Si4 Tb -","- C351.998 H511.997 K4 O61.9996 Si16 Tb4 -","4","0.333333","","Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.","Chemical science","2024","15","18","6874","6883","10.1039/d4sc00051j","","x-ray","1.54184","CuKα","","0.0751","0.0695","","","0.1709","0.1747","","","","","","1.074","","","","has coordinates,has disorder","292913","2024-07-05","15:05:16",""
"1571348","11.1967","0.0004","14.3423","0.0005","24.4587","0.0006","106.237","0.003","99.362","0.003","93.699","0.003","3695.7","0.2","200","0.1","200","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C86 H85 O6 Pr Si3 -","- C86 H85 O6 Pr Si3 -","- C172 H170 O12 Pr2 Si6 -","2","1","","Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.","Chemical science","2024","15","18","6874","6883","10.1039/d4sc00051j","","x-ray","1.54184","CuKα","","0.0312","0.027","","","0.0668","0.0692","","","","","","1.021","","","","has coordinates,has disorder","292913","2024-07-05","15:05:16",""
"1571349","14.87393","0.00016","14.87393","0.00016","55.4259","0.0007","90","","90","","120","","10619.3","0.2","200","0.11","200","0.11","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C88 H128 Ce K O15.5 Si4 -","- C87.9996 H127.999 Ce K O15.4999 Si4 -","- C351.998 H511.997 Ce4 K4 O61.9996 Si16 -","4","0.333333","","Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.","Chemical science","2024","15","18","6874","6883","10.1039/d4sc00051j","","x-ray","1.54184","CuKα","","0.0588","0.0581","","","0.1554","0.1561","","","","","","1.088","","","","has coordinates,has disorder","292913","2024-07-05","15:05:16",""
"1571350","15.94855","0.00011","22.45159","0.00016","25.0337","0.00019","90","","90","","90","","8963.82","0.11","139.99","0.1","139.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C102 H108 Ce O10 Si4 -","- C94 H92 Ce O8 Si4 -","- C376 H368 Ce4 O32 Si16 -","4","1","","Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.","Chemical science","2024","15","18","6874","6883","10.1039/d4sc00051j","","x-ray","1.54184","CuKα","","0.0431","0.0409","","","0.1073","0.1097","","","","","","1.03","","","","has coordinates,has disorder","292913","2024-07-05","15:05:16",""
"1571351","17.6194","0.0003","13.8469","0.0003","31.8914","0.0005","90","","91.3763","0.0014","90","","7778.4","0.2","200","0.1","200","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C87 H73.5 N4.5 O4 Si4 Tb -","- C84 H69 N3 O4 Si4 Tb -","- C336 H276 N12 O16 Si16 Tb4 -","4","1","","Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.","Chemical science","2024","15","18","6874","6883","10.1039/d4sc00051j","","x-ray","1.54184","CuKα","","0.0555","0.0412","","","0.0997","0.1069","","","","","","1.068","","","","has coordinates","292913","2024-07-05","15:05:16",""
"1571352","13.6564","0.0001","43.2742","0.0005","14.2403","0.0001","90","","100.185","0.001","90","","8282.97","0.13","139.99","0.1","139.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C92 H81 K N7 O4 Pr Si4 -","- C86 H72 K N4 O4 Pr Si4 -","- C344 H288 K4 N16 O16 Pr4 Si16 -","4","1","","Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.","Chemical science","2024","15","18","6874","6883","10.1039/d4sc00051j","","x-ray","1.54184","CuKα","","0.0693","0.0597","","","0.1539","0.161","","","","","","1.02","","","","has coordinates","292913","2024-07-05","15:05:16",""
"1571353","14.6865","0.0006","15.3137","0.0006","18.9586","0.0006","87.191","0.003","67.976","0.003","65.256","0.004","3560.2","0.3","139.99","0.1","139.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C168 H142 K2 N4 O9 Si8 Tb2 -","- C164 H132 K2 N4 O8 Si8 Tb2 -","- C164 H132 K2 N4 O8 Si8 Tb2 -","1","0.5","","Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.","Chemical science","2024","15","18","6874","6883","10.1039/d4sc00051j","","x-ray","1.54184","CuKα","","0.0378","0.0335","","","0.0841","0.0871","","","","","","1.018","","","","has coordinates","292913","2024-07-05","15:05:16",""
"1571354","14.0838","0.0014","14.2282","0.0017","21.775","0.003","77.38","0.01","74.179","0.009","63.234","0.011","3725","0.9","200","0.11","200","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C88.5 H72 K O4 Si4 Tb -","- C85 H68 K O4 Si4 Tb -","- C170 H136 K2 O8 Si8 Tb2 -","2","1","","Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.","Chemical science","2024","15","18","6874","6883","10.1039/d4sc00051j","","x-ray","1.54184","CuKα","","0.1308","0.085","","","0.2142","0.2509","","","","","","1.0844","","","","has coordinates,has disorder","292913","2024-07-05","15:05:16",""
"1571355","13.1108","0.0012","12.0581","0.0011","18.0846","0.0016","90","","108.199","0.003","90","","2716","0.4","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","silicon bisamidinate","(N,N'-dimethylbutylamidinate)dichlorosilane","","- C22 H46 Cl2 N4 Si -","- C22 H46 Cl2 N4 Si -","- C88 H184 Cl8 N16 Si4 -","4","0.5","","Parker, Megan A.; De Marco, Maria Letizia; Castro-Grijalba, Alexander; Ghoridi, Anissa; Portehault, David; Pechev, Stanislav; Hillard, Elizabeth A.; Lacomme, Sabrina; Bessière, Aurélie; Cunin, Frédérique; Rosa, Patrick; Gonidec, Mathieu; Drisko, Glenna L.","Size-tunable silicon nanoparticles synthesized in solution <i>via</i> a redox reaction.","Nanoscale","2024","16","16","7958","7964","10.1039/d3nr05793c","","","0.71073","MoKα","","0.055","0.033","","","0.0734","0.081","","","","","","1.034","","","","has coordinates","291664","2024-05-05","03:41:27",""
"1571356","19.0635","0.0002","15.8724","0.0002","21.4307","0.0002","90","","91.957","0.001","90","","6480.79","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H35 N9 O4 -","- C33 H35 N9 O4 -","- C264 H280 N72 O32 -","8","2","","Li, Xing-Chi; Cheng, Ying; Wang, Xu-Dong; Tong, Shuo; Wang, Mei-Xiang","<i>De novo</i> synthesis of inherently chiral heteracalix[4]aromatics from enantioselective macrocyclization enabled by chiral phosphoric acid-catalyzed intramolecular S<sub>N</sub>Ar reaction.","Chemical science","2024","15","10","3610","3615","10.1039/d3sc06436k","","","1.54184","CuKα","","0.0542","0.0472","","","0.1293","0.1355","","","","","","1.027","","","","has coordinates,has disorder","290771","2024-04-04","00:51:18",""
"1571357","10.0108","0.0002","12.9368","0.0003","17.2186","0.0004","105.174","0.002","98.881","0.002","107.685","0.002","1983.04","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H43 N9 O4 -","- C45 H43 N9 O4 -","- C90 H86 N18 O8 -","2","1","","Li, Xing-Chi; Cheng, Ying; Wang, Xu-Dong; Tong, Shuo; Wang, Mei-Xiang","<i>De novo</i> synthesis of inherently chiral heteracalix[4]aromatics from enantioselective macrocyclization enabled by chiral phosphoric acid-catalyzed intramolecular S<sub>N</sub>Ar reaction.","Chemical science","2024","15","10","3610","3615","10.1039/d3sc06436k","","","1.54184","CuKα","","0.0373","0.0365","","","0.0922","0.0928","","","","","","0.999","","","","has coordinates","290771","2024-04-04","00:51:19",""
"1571358","11.1997","0.0001","11.6776","0.0002","15.8142","0.0003","74.25","0.002","73.224","0.001","70.731","0.002","1833.45","0.06","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","lxc-200-3","","- C40 H40 Br N9 O4 -","- C40 H40 Br N9 O4 -","- C80 H80 Br2 N18 O8 -","2","1","","Li, Xing-Chi; Cheng, Ying; Wang, Xu-Dong; Tong, Shuo; Wang, Mei-Xiang","<i>De novo</i> synthesis of inherently chiral heteracalix[4]aromatics from enantioselective macrocyclization enabled by chiral phosphoric acid-catalyzed intramolecular S<sub>N</sub>Ar reaction.","Chemical science","2024","15","10","3610","3615","10.1039/d3sc06436k","","x-ray","1.54184","CuKα","","0.0325","0.0313","","","0.0801","0.0808","","","","","","1.033","","","","has coordinates","290771","2024-04-04","00:51:19",""
"1571359","24.616","0.0007","13.0934","0.0005","9.9979","0.0003","90","","90","","90","","3222.39","0.18","99.99","0.1","99.99","0.1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C34 H37 N9 O4 -","- C34 H37 N9 O4 -","- C136 H148 N36 O16 -","4","1","","Li, Xing-Chi; Cheng, Ying; Wang, Xu-Dong; Tong, Shuo; Wang, Mei-Xiang","<i>De novo</i> synthesis of inherently chiral heteracalix[4]aromatics from enantioselective macrocyclization enabled by chiral phosphoric acid-catalyzed intramolecular S<sub>N</sub>Ar reaction.","Chemical science","2024","15","10","3610","3615","10.1039/d3sc06436k","","x-ray","1.54184","CuKα","","0.0468","0.042","","","0.1057","0.114","","","","","","1.116","","","","has coordinates,has disorder","290771","2024-04-04","00:51:19",""
"1571360","14.2497","0.0002","36.7753","0.0005","14.495","0.0002","90","","90","","90","","7595.92","0.18","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C34.5 H38 Cl N9 O5 -","- C34.5 H37 Cl N9 O5 -","- C276 H296 Cl8 N72 O40 -","8","1","","Li, Xing-Chi; Cheng, Ying; Wang, Xu-Dong; Tong, Shuo; Wang, Mei-Xiang","<i>De novo</i> synthesis of inherently chiral heteracalix[4]aromatics from enantioselective macrocyclization enabled by chiral phosphoric acid-catalyzed intramolecular S<sub>N</sub>Ar reaction.","Chemical science","2024","15","10","3610","3615","10.1039/d3sc06436k","","","1.54184","CuKα","","0.0893","0.0857","","","0.2538","0.2575","","","","","","1.202","","","","has coordinates,has disorder","290771","2024-04-04","00:51:20",""
"1571361","17.0775","0.0001","17.0775","0.0001","48.3005","0.0003","90","","90","","120","","12199.2","0.13","100","2","100","2","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C36.25 H42 N9 O4.5 -","- C36.25 H41 N9 O4.5 -","- C435 H492 N108 O54 -","12","1","","Li, Xing-Chi; Cheng, Ying; Wang, Xu-Dong; Tong, Shuo; Wang, Mei-Xiang","<i>De novo</i> synthesis of inherently chiral heteracalix[4]aromatics from enantioselective macrocyclization enabled by chiral phosphoric acid-catalyzed intramolecular S<sub>N</sub>Ar reaction.","Chemical science","2024","15","10","3610","3615","10.1039/d3sc06436k","","","1.54184","CuKα","","0.0571","0.0539","","","0.1454","0.1486","","","","","","1.014","","","","has coordinates,has disorder","290771","2024-04-04","00:51:20",""
"1571362","18.719","0.004","21.435","0.004","30.531","0.006","72.94","0.03","89.08","0.03","88.27","0.03","11706","4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C157 H222 N66 O60.5 Pd8 S4 -","- C157 H222 N66 O60.5 Pd8 S4 -","- C314 H444 N132 O121 Pd16 S8 -","2","1","","Prajapati, Dharmraj; Bhandari, Pallab; Zangrando, Ennio; Mukherjee, Partha Sarathi","A water-soluble Pd<sub>4</sub> molecular tweezer for selective encapsulation of isomeric quinones and their recyclable extraction.","Chemical science","2024","15","10","3616","3624","10.1039/d3sc05093a","","","0.7","synchrotron","","0.0607","0.0571","","","0.175","0.1789","","","","","","1.025","","","","has coordinates,has disorder","290772","2024-04-04","00:51:50",""
"1571363","24.228","0.0007","19.8535","0.0004","27.1355","0.0009","90","","114.199","0.004","90","","11905.5","0.7","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H100 Fe K N2 O9 Si -","- C57 H100 Fe K N2 O9 Si -","- C456 H800 Fe8 K8 N16 O72 Si8 -","8","2","","Bhutto, Samuel M.; Hooper, Reagan X.; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Iron(iv) alkyl complexes: electronic structure contributions to Fe-C bond homolysis and migration reactions that form N-C bonds from N<sub>2</sub>.","Chemical science","2024","15","10","3485","3494","10.1039/d3sc05939a","","","0.71073","MoKα","","0.0889","0.0725","","","0.168","0.1809","","","","","","1.107","","","","has coordinates","290773","2024-04-04","00:53:15",""
"1571364","10.6104","0.0005","20.3504","0.0008","17.3268","0.0008","90","","95.909","0.004","90","","3721.4","0.3","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H57 Fe N4 Si2 -","- C35 H57 Fe N4 Si2 -","- C140 H228 Fe4 N16 Si8 -","4","1","","Bhutto, Samuel M.; Hooper, Reagan X.; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Iron(iv) alkyl complexes: electronic structure contributions to Fe-C bond homolysis and migration reactions that form N-C bonds from N<sub>2</sub>.","Chemical science","2024","15","10","3485","3494","10.1039/d3sc05939a","","","1.54184","CuKα","","0.1047","0.0819","","","0.2318","0.2464","","","","","","1.087","","","","has coordinates,has disorder","290773","2024-04-04","00:53:16",""
"1571365","8.6993","0.0004","12.0566","0.0004","18.0449","0.0006","88.974","0.003","82.392","0.003","83.828","0.003","1865.07","0.12","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H60 Fe N4 Si2 -","- C36 H60 Fe N4 Si2 -","- C72 H120 Fe2 N8 Si4 -","2","1","","Bhutto, Samuel M.; Hooper, Reagan X.; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Iron(iv) alkyl complexes: electronic structure contributions to Fe-C bond homolysis and migration reactions that form N-C bonds from N<sub>2</sub>.","Chemical science","2024","15","10","3485","3494","10.1039/d3sc05939a","","","1.54184","CuKα","","0.06","0.0533","","","0.1468","0.1613","","","","","","1.16","","","","has coordinates,has disorder","290773","2024-04-04","00:53:16",""
"1571366","10.38","0.0004","11.5329","0.0004","20.2705","0.0006","76","0.003","82.547","0.003","72.992","0.003","2247","0.14","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H68 Fe N4 Si3 -","- C39 H68 Fe N4 Si3 -","- C78 H136 Fe2 N8 Si6 -","2","1","","Bhutto, Samuel M.; Hooper, Reagan X.; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Iron(iv) alkyl complexes: electronic structure contributions to Fe-C bond homolysis and migration reactions that form N-C bonds from N<sub>2</sub>.","Chemical science","2024","15","10","3485","3494","10.1039/d3sc05939a","","","1.54184","CuKα","","0.0488","0.0455","","","0.1182","0.1211","","","","","","1.051","","","","has coordinates","290773","2024-04-04","00:53:16",""
"1571367","10.1151","0.0001","17.6923","0.0002","20.5843","0.0003","90","","90","","90","","3683.75","0.08","93","2","93","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C35 H57 Fe N3 Si2 -","- C35 H57 Fe N3 Si2 -","- C140 H228 Fe4 N12 Si8 -","4","0.5","","Bhutto, Samuel M.; Hooper, Reagan X.; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Iron(iv) alkyl complexes: electronic structure contributions to Fe-C bond homolysis and migration reactions that form N-C bonds from N<sub>2</sub>.","Chemical science","2024","15","10","3485","3494","10.1039/d3sc05939a","","","1.54184","CuKα","","0.0521","0.0488","","","0.1297","0.1324","","","","","","1.1","","","","has coordinates,has disorder","290773","2024-04-04","00:53:17",""
"1571368","13.0503","0.0006","13.4395","0.0006","20.4096","0.0007","83.732","0.003","71.934","0.004","66.707","0.004","3125.4","0.3","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H88 Fe K N2 O8 -","- C56 H88 Fe K N2 O8 -","- C112 H176 Fe2 K2 N4 O16 -","2","1","","Bhutto, Samuel M.; Hooper, Reagan X.; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Iron(iv) alkyl complexes: electronic structure contributions to Fe-C bond homolysis and migration reactions that form N-C bonds from N<sub>2</sub>.","Chemical science","2024","15","10","3485","3494","10.1039/d3sc05939a","","","1.54184","CuKα","","0.0901","0.0734","","","0.1986","0.2118","","","","","","1.045","","","","has coordinates,has disorder","290773","2024-04-04","00:53:17",""
"1571369","11.9946","0.0002","19.7217","0.0003","17.1523","0.0003","90","","95.257","0.001","90","","4040.38","0.12","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H62 Fe N4 Si2 -","- C41 H62 Fe N4 Si2 -","- C164 H248 Fe4 N16 Si8 -","4","1","","Bhutto, Samuel M.; Hooper, Reagan X.; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Iron(iv) alkyl complexes: electronic structure contributions to Fe-C bond homolysis and migration reactions that form N-C bonds from N<sub>2</sub>.","Chemical science","2024","15","10","3485","3494","10.1039/d3sc05939a","","","1.54184","CuKα","","0.0313","0.0295","","","0.0733","0.0744","","","","","","1.037","","","","has coordinates","290773","2024-04-04","00:53:17",""
"1571370","4.00906","0.00004","11.18764","0.0001","28.593","0.0002","90","","90","","90","","1282.45","0.019","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 N O5 -","- C14 H11 N O5 -","- C56 H44 N4 O20 -","4","1","","Mondal, Saikat; Reddy, C. Malla; Saha, Subhankar","Crystal property engineering using molecular-supramolecular equivalence: mechanical property alteration in hydrogen bonded systems.","Chemical science","2024","15","10","3578","3587","10.1039/d3sc06462j","","","1.54184","CuKα","","0.0402","0.0387","","","0.1019","0.1035","","","","","","1.1213","","","","has coordinates,has disorder","290774","2024-04-04","00:54:35",""
"1571371","4.0056","0.0002","11.2133","0.0004","28.6053","0.0011","90","","90","","90","","1284.84","0.09","288","15","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 Br0.1 N0.9 O4.8 -","- C14 H10 Br0.1 N0.9 O4.8 -","- C56 H40 Br0.4 N3.6 O19.2 -","4","1","","Mondal, Saikat; Reddy, C. Malla; Saha, Subhankar","Crystal property engineering using molecular-supramolecular equivalence: mechanical property alteration in hydrogen bonded systems.","Chemical science","2024","15","10","3578","3587","10.1039/d3sc06462j","","","1.54184","CuKα","","0.0579","0.0484","","","0.1301","0.1362","","","","","","1.064","","","","has coordinates,has disorder","290774","2024-04-04","00:54:36",""
"1571372","6.9794","0.0001","7.6259","0.0001","12.3471","0.0001","93.144","0.001","97.362","0.001","94.061","0.001","648.752","0.014","100.01","0.12","100.01","0.12","","","","","","","","4","P 1","P 1","1","","","","- C15 H13 N O5 -","- C15 H13 N O5 -","- C30 H26 N2 O10 -","2","2","","Mondal, Saikat; Reddy, C. Malla; Saha, Subhankar","Crystal property engineering using molecular-supramolecular equivalence: mechanical property alteration in hydrogen bonded systems.","Chemical science","2024","15","10","3578","3587","10.1039/d3sc06462j","","x-ray","1.54184","CuKα","","0.0346","0.0345","","","0.0925","0.0927","","","","","","0.99","","","","has coordinates","290774","2024-04-04","00:54:36",""
"1571373","3.9536","0.0001","11.245","0.0001","30.6382","0.0005","90","","90","","90","","1362.12","0.04","285","12","285","12","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N O5 -","- C15 H13 N O5 -","- C60 H52 N4 O20 -","4","1","","Mondal, Saikat; Reddy, C. Malla; Saha, Subhankar","Crystal property engineering using molecular-supramolecular equivalence: mechanical property alteration in hydrogen bonded systems.","Chemical science","2024","15","10","3578","3587","10.1039/d3sc06462j","","","1.54184","CuKα","","0.0445","0.0416","","","0.1199","0.1231","","","","","","1.073","","","","has coordinates,has disorder","290774","2024-04-04","00:54:36",""
"1571374","6.8843","0.0006","29.823","0.003","10.8712","0.001","90","","102.271","0.003","90","","2181","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 B Fe O4 -","- C24 H27 B Fe O4 -","- C96 H108 B4 Fe4 O16 -","4","1","","Raj, Gowtham; Vasudev, D. S.; Christopher, Sarah; Babulal, Anupama; Harsha, P.; Ram, Soumakanya; Tiwari, Mehul; Sauer, Markus; Varghese, Reji","Multifunctional siRNA/ferrocene/cyclodextrin nanoparticles for enhanced chemodynamic cancer therapy.","Nanoscale","2024","16","7","3755","3763","10.1039/d3nr06071c","","","0.71073","MoKα","","0.0803","0.0549","","","0.1355","0.1498","","","","","","1.075","","","","has coordinates","290786","2024-04-04","11:44:41",""
"1571375","11.43405","0.00006","11.43405","0.00006","25.89293","0.00013","90","","90","","120","","2931.65","0.03","149.99","0.1","149.99","0.1","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C25 H25.17 N O2.08 -","- C25 H25.1666 N O2.0833 -","- C150 H151 N6 O12.4998 -","6","1","","Chen, Bin; Pan, Bendu; He, Xiaobo; Jiang, Long; Chan, Albert S. C.; Qiu, Liqin","Access to chiral dihydrophenanthridines <i>via</i> a palladium(0)-catalyzed Suzuki coupling and C-H arylation cascade reaction using new chiral-bridged biphenyl bifunctional ligands.","Chemical science","2024","15","18","6884","6890","10.1039/d4sc00621f","","x-ray","1.54184","CuKα","","0.0275","0.0272","","","0.0729","0.0733","","","","","","1.026","","","","has coordinates,has disorder","292914","2024-07-05","15:05:26",""
"1571376","19.2401","0.001","12.1579","0.0007","10.1312","0.0006","90","","90","","90","","2369.9","0.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H28 Mn N4 O5 -","- C24 H28 Mn N4 O5 -","- C96 H112 Mn4 N16 O20 -","4","0.5","","Boro, Mridul; Baishya, Trishnajyoti; Frontera, Antonio; Barceló-Oliver, Miquel; Bhattacharyya, Manjit K.","Energetic Features of H-Bonded and π-Stacked Assemblies in Pyrazole-Based Coordination Compounds of Mn(II) and Cu(II): Experimental and Theoretical Studies","Crystals","2024","14","4","318","","10.3390/cryst14040318","","","1.54178","CuKα","","0.0434","0.0414","","","0.1109","0.1133","","","","","","1.086","","","","has coordinates","291081","2024-04-05","05:50:41",""
"1571377","15.6899","0.0005","10.7161","0.0003","11.3062","0.0004","90","","90","","90","","1900.96","0.11","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H26 Cu N4 O4 -","- C18 H26 Cu N4 O4 -","- C72 H104 Cu4 N16 O16 -","4","0.5","","Boro, Mridul; Baishya, Trishnajyoti; Frontera, Antonio; Barceló-Oliver, Miquel; Bhattacharyya, Manjit K.","Energetic Features of H-Bonded and π-Stacked Assemblies in Pyrazole-Based Coordination Compounds of Mn(II) and Cu(II): Experimental and Theoretical Studies","Crystals","2024","14","4","318","","10.3390/cryst14040318","","","1.54178","CuKα","","0.0482","0.0475","","","0.1395","0.1402","","","","","","1.143","","","","has coordinates","291082","2024-04-05","05:50:56",""
"1571378","5.0459","0.0009","9.373","0.002","9.5454","0.0018","90","","96.187","0.018","90","","448.82","0.15","100","","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H7 F3 N4 O2 -","- C7 H7 F3 N4 O2 -","- C14 H14 F6 N8 O4 -","2","0.5","","Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana","Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides","Crystals","2024","14","4","319","","10.3390/cryst14040319","","x-ray","0.71073","MoKα","","0.0932","0.0665","","","0.1881","0.2204","","","","","","1.062","","","","has coordinates","291083","2024-04-05","05:51:24",""
"1571379","8.71","0.006","6.292","0.005","15.26","0.011","90","","90","","90","","836.3","1.1","100.15","","100.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H6 Cl2 Cu N4 -","- C5 H6 Cl2 Cu N4 -","- C20 H24 Cl8 Cu4 N16 -","4","0.5","","Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana","Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides","Crystals","2024","14","4","319","","10.3390/cryst14040319","","","0.71073","MoKα","","0.0767","0.0697","","","0.1601","0.1624","","","","","","1.344","","","","has coordinates","291083","2024-04-05","05:51:24",""
"1571380","8.924","0.002","6.3937","0.0016","15.626","0.004","90","","90","","90","","891.6","0.4","100.15","","100.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H6 Br2 Cu N4 -","- C5 H6 Br2 Cu N4 -","- C20 H24 Br8 Cu4 N16 -","4","0.5","","Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana","Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides","Crystals","2024","14","4","319","","10.3390/cryst14040319","","x-ray","0.71073","MoKα","K-L~3~","0.044","0.0328","","","0.081","0.0886","","","","","","1.073","","","","has coordinates","291083","2024-04-05","05:51:24",""
"1571381","8.6664","0.0002","6.2964","0.0002","14.894","0.0004","90","","90","","90","","812.72","0.04","100","2","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","Pyrazine Copper Chloride","","","- C5 H6 Cl2 Cu N4 -","- C5 H6 Cl2 Cu N4 -","- C20 H24 Cl8 Cu4 N16 -","4","0.5","","Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana","Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides","Crystals","2024","14","4","319","","10.3390/cryst14040319","","","1.54184","CuKα","","0.0663","0.0609","","","0.1587","0.163","","","","","","1.14","","","","has coordinates","291083","2024-04-05","05:51:25",""
"1571382","8.943","0.0002","6.4316","0.0002","15.2113","0.0003","90","","90","","90","","874.92","0.04","100","0.1","100.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H6 Br2 Cu N4 -","- C5 H6 Br2 Cu N4 -","- C20 H24 Br8 Cu4 N16 -","4","0.5","","Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana","Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides","Crystals","2024","14","4","319","","10.3390/cryst14040319","","","1.54184","CuKα","","0.0589","0.0562","","","0.1473","0.1505","","","","","","1.079","","","","has coordinates","291083","2024-04-05","05:51:25",""
"1571383","8.3731","0.0004","10.9315","0.0006","9.5637","0.0003","90","","103.022","0.004","90","","852.86","0.07","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 Cl2 Cu N3 -","- C6 H7 Cl2 Cu N3 -","- C24 H28 Cl8 Cu4 N12 -","4","1","","Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana","Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides","Crystals","2024","14","4","319","","10.3390/cryst14040319","","x-ray","0.71073","MoKα","","0.056","0.042","","","0.0889","0.098","","","","","","1.05","","","","has coordinates","291083","2024-04-05","05:51:25",""
"1571384","8.4622","0.0012","10.6392","0.0014","9.6678","0.0013","90","","99.036","0.005","90","","859.6","0.2","100.15","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 Cl2 Cu N4 -","- C5 H6 Cl2 Cu N4 -","- C20 H24 Cl8 Cu4 N16 -","4","1","","Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana","Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides","Crystals","2024","14","4","319","","10.3390/cryst14040319","","","0.71073","MoKα","","0.0343","0.0269","","","0.0674","0.0704","","","","","","1.017","","","","has coordinates","291083","2024-04-05","05:51:25",""
"1571385","12.0056","0.0009","13.9227","0.001","21.5251","0.0015","84.548","0.003","81.768","0.003","87.722","0.003","3543.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H27 F4 Ir N4 O4.25 -","- C33 H27 F4 Ir N4 O4.25 -","- C132 H108 F16 Ir4 N16 O17 -","4","2","","Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A.","Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors","Crystals","2024","14","3","281","","10.3390/cryst14030281","","","0.71073","MoKα","","0.0409","0.0362","","","0.1153","0.1205","","","","","","1.109","","","","has coordinates,has disorder","291084","2024-04-05","05:52:51",""
"1571386","20.1167","0.0011","16.8038","0.001","17.1342","0.0009","90","","107.127","0.002","90","","5535.1","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28.5 H19 Cl F4 Ir N4 O2.5 -","- C28.5 H18.9999 Cl0.9999 F4 Ir N4 O2.5 -","- C228 H151.999 Cl7.9992 F32 Ir8 N32 O20 -","8","2","","Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A.","Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors","Crystals","2024","14","3","281","","10.3390/cryst14030281","","","0.71073","MoKα","","0.0504","0.0364","","","0.0778","0.0872","","","","","","1.111","","","","has coordinates,has disorder","291084","2024-04-05","05:52:51",""
"1571387","9.3656","0.0005","16.9853","0.0008","9.5139","0.0005","90","","91.2046","0.0018","90","","1513.11","0.13","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H25 Cl4 Ir N4 O3 -","- C30 H25 Cl4 Ir N4 O3 -","- C60 H50 Cl8 Ir2 N8 O6 -","2","1","","Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A.","Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors","Crystals","2024","14","3","281","","10.3390/cryst14030281","","","0.71073","MoKα","","0.0236","0.0204","","","0.0439","0.0463","","","","","","1.038","","","","has coordinates","291084","2024-04-05","05:52:51",""
"1571388","9.3682","0.0006","16.9395","0.001","9.4088","0.0005","90","","91.347","0.002","90","","1492.69","0.15","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H25 Cl4 Ir N4 O2 -","- C30 H25 Cl4 Ir N4 O2 -","- C60 H50 Cl8 Ir2 N8 O4 -","2","1","","Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A.","Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors","Crystals","2024","14","3","281","","10.3390/cryst14030281","","","0.71073","MoKα","","0.0175","0.0164","","","0.0376","0.0396","","","","","","0.946","","","","has coordinates","291084","2024-04-05","05:52:52",""
"1571389","8.815","0.0006","12.0339","0.001","22.3146","0.0017","87.528","0.003","79.542","0.003","89.854","0.003","2325.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H15 F4 Ir N4 O2 -","- C27 H15 F4 Ir N4 O2 -","- C108 H60 F16 Ir4 N16 O8 -","4","2","","Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A.","Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors","Crystals","2024","14","3","281","","10.3390/cryst14030281","","","0.71073","MoKα","","0.0283","0.0214","","","0.0419","0.0464","","","","","","1.191","","","","has coordinates","291084","2024-04-05","05:52:52",""
"1571390","9.6985","0.0008","24.7164","0.0018","13.7261","0.0009","90","","93.775","0.003","90","","3283.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 Cl2 F10 Ir N6 P -","- C31 H20 Cl2 F10 Ir N6 P -","- C124 H80 Cl8 F40 Ir4 N24 P4 -","4","1","","Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A.","Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors","Crystals","2024","14","3","281","","10.3390/cryst14030281","","","0.71073","MoKα","","0.0498","0.0409","","","0.0865","0.0938","","","","","","1.067","","","","has coordinates","291084","2024-04-05","05:52:52",""
"1571391","13.8002","0.0006","14.3504","0.0006","17.3147","0.0008","72.193","0.002","89.145","0.002","89.584","0.002","3264.3","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C32.5 H24 Cl F10 Ir N6 O0.5 P -","- C32.5 H24 Cl F10 Ir N6 O0.5 P -","- C130 H96 Cl4 F40 Ir4 N24 O2 P4 -","4","2","","Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A.","Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors","Crystals","2024","14","3","281","","10.3390/cryst14030281","","","0.71073","MoKα","","0.0513","0.0404","","","0.0839","0.0944","","","","","","1.1","","","","has coordinates,has disorder","291084","2024-04-05","05:52:52",""
"1571392","8.6227","0.0009","13.5061","0.0013","16.6738","0.0015","104.272","0.003","94.651","0.004","90.132","0.004","1875.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H32 Cl2 F10 Ir N6 P -","- C37 H32 Cl2 F10 Ir N6 P -","- C74 H64 Cl4 F20 Ir2 N12 P2 -","2","1","","Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A.","Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors","Crystals","2024","14","3","281","","10.3390/cryst14030281","","","0.71073","MoKα","","0.0274","0.0242","","","0.0561","0.0587","","","","","","1.123","","","","has coordinates","291084","2024-04-05","05:52:52",""
"1571393","10.8324","0.0004","16.0987","0.0006","31.5748","0.001","90","","90","","90","","5506.3","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H22 F6 Ir N6 P -","- C30 H22 F6 Ir N6 P -","- C240 H176 F48 Ir8 N48 P8 -","8","1","","Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A.","Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors","Crystals","2024","14","3","281","","10.3390/cryst14030281","","","0.71073","MoKα","","0.0478","0.0319","","","0.0599","0.0707","","","","","","1.219","","","","has coordinates","291084","2024-04-05","05:52:52",""
"1571394","10.1298","0.0006","10.14","0.0006","24.4558","0.0013","84.557","0.005","85.566","0.005","78.612","0.005","2447","0.2","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C56 H90 Si -","- C56 H90 Si -","- C112 H180 Si2 -","2","1","","Mochihara, Kazuki; Morimoto, Tatsuto; Ota, Kei; Marumoto, Shinsuke; Hashizume, Daisuke; Matsuo, Tsukasa","Approach to the “Missing” Diarylsilylene: Formation, Characterization, and Intramolecular C–H Bond Activation of Blue Diarylsilylenes with Bulky Rind Groups","International Journal of Molecular Sciences","2024","25","7","3761","","10.3390/ijms25073761","","x-ray","0.71073","MoKα","","0.1496","0.0768","","","0.163","0.1914","","","","","","1.023","","","","has coordinates","291085","2024-04-05","11:49:03",""
"1571395","32.72","0.007","18.594","0.004","16.662","0.004","90","","104.756","0.003","90","","9803","4","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C56 H90 Si -","- C56 H90 Si -","- C448 H720 Si8 -","8","1","","Mochihara, Kazuki; Morimoto, Tatsuto; Ota, Kei; Marumoto, Shinsuke; Hashizume, Daisuke; Matsuo, Tsukasa","Approach to the “Missing” Diarylsilylene: Formation, Characterization, and Intramolecular C–H Bond Activation of Blue Diarylsilylenes with Bulky Rind Groups","International Journal of Molecular Sciences","2024","25","7","3761","","10.3390/ijms25073761","","","0.71073","MoKα","","0.0969","0.0757","","","0.1704","0.1823","","","","","","1.098","","","","has coordinates,has disorder","291086","2024-04-05","11:49:26",""
"1571396","12.9236","0.0003","18.9633","0.0004","20.6577","0.0005","90","","102.518","0.002","90","","4942.3","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H92 O Si -","- C56 H92 O Si -","- C224 H368 O4 Si4 -","4","1","","Mochihara, Kazuki; Morimoto, Tatsuto; Ota, Kei; Marumoto, Shinsuke; Hashizume, Daisuke; Matsuo, Tsukasa","Approach to the “Missing” Diarylsilylene: Formation, Characterization, and Intramolecular C–H Bond Activation of Blue Diarylsilylenes with Bulky Rind Groups","International Journal of Molecular Sciences","2024","25","7","3761","","10.3390/ijms25073761","","","0.71073","MoKα","","0.0657","0.0455","","","0.107","0.1147","","","","","","1.048","","","","has coordinates,has disorder","291087","2024-04-05","11:49:47",""
"1571397","4.8569","0.0005","6.4389","0.0007","8.7323","0.001","87.837","0.004","74.463","0.004","83.06","0.004","261.17","0.05","300","2","300","2","","","","","","","","2","P -1","-P 1","2","","","","- Al3.12 Fe1.63 -","- Al3.121 Fe1.629 -","- Al12.484 Fe6.516 -","4","2","","Liu, Yibo; Fan, Changzeng; Wen, Bin; Xu, Zhefeng; Fu, Ruidong; Zhang, Lifeng","Orientation Relationship of Intergrowth Al2Fe and Al5Fe2 Intermetallics Determined by Single-Crystal X-ray Diffraction","Metals","2024","14","3","337","","10.3390/met14030337","","","0.71073","MoKα","","0.0831","0.0543","","","0.096","0.1044","","","","","","1.057","","","","has coordinates,has disorder","291088","2024-04-05","14:31:22",""
"1571398","7.635","0.003","6.392","0.002","4.2007","0.0014","90","","90","","90","","205.01","0.12","300","2","300","2","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Al2.86 Fe -","- Al2.86 Fe -","- Al11.44 Fe4 -","4","0.25","","Liu, Yibo; Fan, Changzeng; Wen, Bin; Xu, Zhefeng; Fu, Ruidong; Zhang, Lifeng","Orientation Relationship of Intergrowth Al2Fe and Al5Fe2 Intermetallics Determined by Single-Crystal X-ray Diffraction","Metals","2024","14","3","337","","10.3390/met14030337","","","0.71073","MoKα","","0.0611","0.0363","","","0.0763","0.0844","","","","","","1.017","","","","has coordinates","291089","2024-04-05","14:31:36",""
"1571399","13.8153","0.0004","5.447","0.0002","9.6098","0.0003","90","","90","","90","","723.16","0.04","100.15","","100.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- F6 O3 Pb2 Se Si -","- F6 O3 Pb2 Se Si -","- F24 O12 Pb8 Se4 Si4 -","4","0.5","","Li, Peng-Fei; Hu, Chun-Li; Mao, Jiang-Gao; Kong, Fang","Pb<sub>2</sub>(SeO<sub>3</sub>)(SiF<sub>6</sub>): the first selenite fluorosilicate with a wide bandgap and large birefringence achieved through perfluorinated group modification.","Chemical science","2024","15","19","7104","7110","10.1039/d4sc01376j","","","0.71073","MoKα","","0.0199","0.0189","","","0.0459","0.0465","","","","","","1.03","","","","has coordinates","292885","2024-07-05","14:16:06",""
"1571400","9.2665","0.0011","16.7883","0.0016","6.7319","0.0009","90","","90","","90","","1047.3","0.2","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C6 H5.5 N0.5 O -","- C6 H5.5 N0.5 O -","- C48 H44 N4 O8 -","8","1","","Ye, Xingchen; Pan, Huaijin; Huang, Yong; Chen, Jiean; Wang, Zhaofeng","Photochemical three-component assembly of tri-substituted oxazoles through a carbenic phosphorus-nitrile hybrid ylide formation/trapping cascade.","Chemical science","2024","15","17","6515","6521","10.1039/d4sc01355g","","x-ray","0.71073","MoKα","","0.0687","0.0499","","","0.1216","0.1358","","","","","","1.022","","","","has coordinates,has disorder","291561","2024-05-05","01:34:55",""
"1571401","10.8146","0.0001","14.7684","0.0002","15.0422","0.0002","90","","93.05","0.001","90","","2399.05","0.05","303.33","0.1","303.33","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 B F4 N O P -","- C25 H25 B F4 N O P -","- C100 H100 B4 F16 N4 O4 P4 -","4","1","","Ye, Xingchen; Pan, Huaijin; Huang, Yong; Chen, Jiean; Wang, Zhaofeng","Photochemical three-component assembly of tri-substituted oxazoles through a carbenic phosphorus-nitrile hybrid ylide formation/trapping cascade.","Chemical science","2024","15","17","6515","6521","10.1039/d4sc01355g","","x-ray","1.54184","CuKα","","0.0469","0.0445","","","0.1298","0.1317","","","","","","1.109","","","","has coordinates","291561","2024-05-05","01:35:00",""
"1571402","7.4015","0.0004","8.5478","0.0006","11.0934","0.0005","96.71","0.004","92.275","0.004","111.131","0.006","647.62","0.07","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H11 Br0.97 N O3 -","- C15 H11 Br0.975 N O3 -","- C30 H22 Br1.95 N2 O6 -","2","1","","Wang, Zhuoer; Cao, Zhaozhen; Hao, Aiyou; Xing, Pengyao","Pnictogen bonding in imide derivatives for chiral folding and self-assembly.","Chemical science","2024","15","18","6924","6933","10.1039/d4sc00554f","","x-ray","0.71073","MoKα","","0.0704","0.0488","","","0.1232","0.1404","","","","","","1.199","","","","has coordinates,has disorder","292912","2024-07-05","15:04:22",""
"1571403","9.5671","0.0002","6.22015","0.00011","14.7354","0.0003","90","","104.31","0.002","90","","849.68","0.03","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H16 Br N O3 -","- C21 H16 Br N O3 -","- C42 H32 Br2 N2 O6 -","2","1","","Wang, Zhuoer; Cao, Zhaozhen; Hao, Aiyou; Xing, Pengyao","Pnictogen bonding in imide derivatives for chiral folding and self-assembly.","Chemical science","2024","15","18","6924","6933","10.1039/d4sc00554f","","x-ray","1.54184","CuKα","","0.0383","0.037","","","0.0985","0.0999","","","","","","1.047","","","","has coordinates","292912","2024-07-05","15:04:22",""
"1571404","8.6432","0.0006","5.5418","0.0003","22.9285","0.0012","90","","99","0.006","90","","1084.73","0.11","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Br2 N2 O6 -","- C22 H20 Br2 N2 O6 -","- C44 H40 Br4 N4 O12 -","2","1","","Wang, Zhuoer; Cao, Zhaozhen; Hao, Aiyou; Xing, Pengyao","Pnictogen bonding in imide derivatives for chiral folding and self-assembly.","Chemical science","2024","15","18","6924","6933","10.1039/d4sc00554f","","","0.71073","MoKα","","0.0694","0.039","","","0.0724","0.0827","","","","","","1.009","","","","has coordinates","292912","2024-07-05","15:04:22",""
"1571405","7.3573","0.0004","8.0361","0.0006","21.7154","0.0013","90","","93.798","0.006","90","","1281.08","0.14","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Br0.97 N O3 -","- C15 H11 Br0.9689 N O3 -","- C60 H44 Br3.8756 N4 O12 -","4","1","","Wang, Zhuoer; Cao, Zhaozhen; Hao, Aiyou; Xing, Pengyao","Pnictogen bonding in imide derivatives for chiral folding and self-assembly.","Chemical science","2024","15","18","6924","6933","10.1039/d4sc00554f","","x-ray","0.71073","MoKα","","0.0829","0.0542","","","0.1049","0.1114","","","","","","1.171","","","","has coordinates,has disorder","292912","2024-07-05","15:04:22",""
"1571406","6.3065","0.0003","13.7236","0.0004","34.6883","0.0012","90","","90","","90","","3002.2","0.2","173","0.1","173","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H28 Br2 N3 O6 -","- C34 H28 Br2 N2 O6 -","- C136 H112 Br8 N8 O24 -","4","1","","Wang, Zhuoer; Cao, Zhaozhen; Hao, Aiyou; Xing, Pengyao","Pnictogen bonding in imide derivatives for chiral folding and self-assembly.","Chemical science","2024","15","18","6924","6933","10.1039/d4sc00554f","","x-ray","1.54184","CuKα","","0.1362","0.1254","","","0.3595","0.3757","","","","","","1.546","","","","has coordinates","292912","2024-07-05","15:04:22",""
"1571407","10.6039","0.0003","8.8338","0.0002","15.3191","0.0003","90","","92.902","0.002","90","","1433.14","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","(3R,5S)-5-([1,1'-biphenyl]-4-ylmethyl)-3-methylpyrrolidin-2-one","","- C18 H19 N O -","- C18 H19 N O -","- C72 H76 N4 O4 -","4","2","","Chen, Long; Qu, Ge; Cai, Zhiqiang; Yuan, Bo; Sun, Zhoutong","Synthesis of a sacubitril precursor via the construction of one-pot chemoenzymatic cascades","Catalysis Science & Technology","2024","14","10","2817","2824","10.1039/D4CY00145A","","x-ray","1.54184","CuKα","","0.0405","0.0355","","","0.1035","0.1061","","","","","","1.14","","","","has coordinates","292753","2024-07-05","12:57:37",""
"1571408","23.6038","0.0016","12.3774","0.0009","17.1095","0.0011","90","","90","","90","","4998.6","0.6","170","","170","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C59 H44 F6 O7 S4 -","- C59 H44 F6 O7 S4 -","- C236 H176 F24 O28 S16 -","4","0.5","","Sun, Jinghui; Yan, Yifei; Chen, Xuanxuan; Huang, Zhiwei; Huang, Yinhua","Palladium-catalyzed regio- and stereo-selective phosphination of cyclic biarylsulfonium salts to access atropoisomeric phosphines.","Chemical science","2024","15","18","6943","6948","10.1039/d4sc00446a","","","1.34139","GaKα","","0.1018","0.0667","","","0.1613","0.1835","","","","","","1.042","","","","has coordinates,has disorder","292911","2024-07-05","15:04:12",""
"1571409","8.1621","0.0003","11.298","0.0004","16.5498","0.0006","90","","94.61","0.002","90","","1521.21","0.1","170","","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H31 P S -","- C40 H31 P S -","- C80 H62 P2 S2 -","2","1","","Sun, Jinghui; Yan, Yifei; Chen, Xuanxuan; Huang, Zhiwei; Huang, Yinhua","Palladium-catalyzed regio- and stereo-selective phosphination of cyclic biarylsulfonium salts to access atropoisomeric phosphines.","Chemical science","2024","15","18","6943","6948","10.1039/d4sc00446a","","","0.71073","MoKα","","0.0401","0.0371","","","0.0925","0.0951","","","","","","1.074","","","","has coordinates","292911","2024-07-05","15:04:12",""
"1571410","11.039","0.0006","15.1879","0.0008","16.0708","0.0007","112.211","0.002","104.135","0.002","103.663","0.002","2251.2","0.2","170","","170","","","","","","","","","4","P 1","P 1","1","","","","- C39 H29 P S -","- C39 H29 P S -","- C117 H87 P3 S3 -","3","3","","Sun, Jinghui; Yan, Yifei; Chen, Xuanxuan; Huang, Zhiwei; Huang, Yinhua","Palladium-catalyzed regio- and stereo-selective phosphination of cyclic biarylsulfonium salts to access atropoisomeric phosphines.","Chemical science","2024","15","18","6943","6948","10.1039/d4sc00446a","","","0.71073","MoKα","","0.0591","0.047","","","0.1012","0.1094","","","","","","1.08","","","","has coordinates","292911","2024-07-05","15:04:13",""
"1571411","9.2907","0.0003","14.7314","0.0004","21.2629","0.0006","90","","90","","90","","2910.15","0.15","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H39 O3 P -","- C34 H39 O3 P -","- C136 H156 O12 P4 -","4","1","","Patra, Jatin; Nair, Akshay M.; Volla, Chandra M. R.","Expedient radical phosphonylations <i>via</i> ligand to metal charge transfer on bismuth.","Chemical science","2024","15","19","7136","7143","10.1039/d4sc00692e","","x-ray","0.71073","MoKα","","0.0565","0.0467","","","0.1063","0.1149","","","","","","1.044","","","","has coordinates","292882","2024-07-05","14:15:38",""
"1571412","8.7082","0.0005","11.7522","0.0005","20.0325","0.0012","90","","90","","90","","2050.14","0.19","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 O5 P -","- C24 H21 O5 P -","- C96 H84 O20 P4 -","4","1","","Patra, Jatin; Nair, Akshay M.; Volla, Chandra M. R.","Expedient radical phosphonylations <i>via</i> ligand to metal charge transfer on bismuth.","Chemical science","2024","15","19","7136","7143","10.1039/d4sc00692e","","x-ray","0.71073","MoKα","","0.0616","0.0525","","","0.1323","0.1491","","","","","","0.881","","","","has coordinates","292882","2024-07-05","14:15:38",""
"1571413","12.6015","0.0003","16.8085","0.0002","14.3074","0.0003","90","","112.713","0.002","90","","2795.47","0.1","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H24 Cl3 O3 P -","- C32 H23 O3 P -","- C128 H92 O12 P4 -","4","1","","Patra, Jatin; Nair, Akshay M.; Volla, Chandra M. R.","Expedient radical phosphonylations <i>via</i> ligand to metal charge transfer on bismuth.","Chemical science","2024","15","19","7136","7143","10.1039/d4sc00692e","","x-ray","0.71073","MoKα","","0.0681","0.0597","","","0.1533","0.1606","","","","","","1.062","","","","has coordinates","292882","2024-07-05","14:15:38",""
"1571414","7.5376","0.0009","7.932","0.0009","11.5935","0.0012","82.325","0.004","74.766","0.004","65.24","0.003","607.1","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H7 Br2 I -","- C12 H7 Br2 I -","- C24 H14 Br4 I2 -","2","1","","Carter Martos, Daniel; de Abreu, Maxime; Hauk, Pascal; Fackler, Philipp; Wencel-Delord, Joanna","Easy access to polyhalogenated biaryls: regioselective (di)halogenation of hypervalent bromines and chlorines.","Chemical science","2024","15","18","6770","6776","10.1039/d4sc01234h","","","0.71073","MoKα","","0.0399","0.0288","","","0.0641","0.0688","","","","","","1.019","","","","has coordinates","292910","2024-07-05","15:04:00",""
"1571415","7.5445","0.0003","7.7965","0.0003","11.5759","0.0004","81.165","0.001","73.519","0.001","64.541","0.001","589.13","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H7 Br Cl I -","- C12 H7 Br Cl I -","- C24 H14 Br2 Cl2 I2 -","2","1","","Carter Martos, Daniel; de Abreu, Maxime; Hauk, Pascal; Fackler, Philipp; Wencel-Delord, Joanna","Easy access to polyhalogenated biaryls: regioselective (di)halogenation of hypervalent bromines and chlorines.","Chemical science","2024","15","18","6770","6776","10.1039/d4sc01234h","","","0.71073","MoKα","","0.0234","0.0202","","","0.0425","0.0439","","","","","","1.094","","","","has coordinates","292910","2024-07-05","15:04:01",""
"1571416","7.3449","0.0002","15.539","0.0003","8.8357","0.0002","90","","104.827","0.001","90","","974.86","0.04","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 Cl O -","- C13 H7 Cl O -","- C52 H28 Cl4 O4 -","4","1","","Carter Martos, Daniel; de Abreu, Maxime; Hauk, Pascal; Fackler, Philipp; Wencel-Delord, Joanna","Easy access to polyhalogenated biaryls: regioselective (di)halogenation of hypervalent bromines and chlorines.","Chemical science","2024","15","18","6770","6776","10.1039/d4sc01234h","","","0.71073","MoKα","","0.0324","0.0308","","","0.085","0.0865","","","","","","1.059","","","","has coordinates","292910","2024-07-05","15:04:01",""
"1571417","7.4022","0.0003","7.8572","0.0003","11.338","0.0004","83.992","0.001","76.446","0.001","65.073","0.001","581.33","0.04","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H7 Br3 -","- C12 H7 Br3 -","- C24 H14 Br6 -","2","1","","Carter Martos, Daniel; de Abreu, Maxime; Hauk, Pascal; Fackler, Philipp; Wencel-Delord, Joanna","Easy access to polyhalogenated biaryls: regioselective (di)halogenation of hypervalent bromines and chlorines.","Chemical science","2024","15","18","6770","6776","10.1039/d4sc01234h","","","0.71073","MoKα","","0.0287","0.0236","","","0.055","0.0574","","","","","","1.033","","","","has coordinates","292910","2024-07-05","15:04:01",""
"1571418","17.6518","0.0002","9.34996","0.00012","24.7713","0.0003","90","","105.336","0.0014","90","","3942.77","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H38 Mg N4 O -","- C48 H38 Mg N4 O -","- C192 H152 Mg4 N16 O4 -","4","1","","Meher, Sushanta Kumar; Nayak, Prakash; Dhala, Sasmita; Tripathy, Swetapadma; Venkatasubbaiah, Krishnan","Magnesium-porphyrin as an efficient photocatalyst for the transformation of CO2 to cyclic carbonates and oxazolidinones under ambient conditions","Catalysis Science & Technology","2024","14","11","3125","3130","10.1039/D4CY00246F","","x-ray","1.54184","CuKα","","0.0606","0.0546","","","0.1621","0.1685","","","","","","1.0418","","","","has coordinates,has disorder","292759","2024-07-05","12:59:37",""
"1571419","63.7924","0.001","9.6005","0.0001","17.2224","0.0002","90","","90.202","0.001","90","","10547.6","0.2","223.15","","223.15","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C3 H3 F3 Li N O3 S -","- C3 H3 F3 Li N O3 S -","- C180 H180 F180 Li60 N60 O180 S60 -","60","15","","Philippi, Frederik; Middendorf, Maleen; Shigenobu, Keisuke; Matsuyama, Yuna; Palumbo, Oriele; Pugh, David; Sudoh, Taku; Dokko, Kaoru; Watanabe, Masayoshi; Schönhoff, Monika; Shinoda, Wataru; Ueno, Kazuhide","Evolving better solvate electrolytes for lithium secondary batteries.","Chemical science","2024","15","19","7342","7358","10.1039/d4sc01492h","","","1.54184","CuKα","","0.0624","0.0568","","","0.1364","0.1406","","","","","","1.029","","","","has coordinates,has disorder","292890","2024-07-05","14:58:10",""
"1571420","5.544","0.0002","9.2231","0.0002","10.2431","0.0002","80.255","0.002","83.499","0.002","86.548","0.002","512.43","0.02","223.15","","223.15","","","","","","","","","7","P -1","-P 1","2","","","","- C5 H9 F3 Li N O3 S -","- C5 H9 F3 Li N O3 S -","- C10 H18 F6 Li2 N2 O6 S2 -","2","1","","Philippi, Frederik; Middendorf, Maleen; Shigenobu, Keisuke; Matsuyama, Yuna; Palumbo, Oriele; Pugh, David; Sudoh, Taku; Dokko, Kaoru; Watanabe, Masayoshi; Schönhoff, Monika; Shinoda, Wataru; Ueno, Kazuhide","Evolving better solvate electrolytes for lithium secondary batteries.","Chemical science","2024","15","19","7342","7358","10.1039/d4sc01492h","","x-ray","1.54184","CuKα","","0.0659","0.0632","","","0.1781","0.1828","","","","","","1.125","","","","has coordinates","292890","2024-07-05","14:58:10",""
"1571421","5.4317","0.0002","7.1254","0.0003","8.5194","0.0003","95.165","0.003","96.669","0.003","104.049","0.003","315.3","0.02","223.15","","223.15","","","","","","","","","5","P -1","-P 1","2","","","","- C4 H4 N2 O2 S -","- C4 H4 N2 O2 S -","- C8 H8 N4 O4 S2 -","2","1","","Philippi, Frederik; Middendorf, Maleen; Shigenobu, Keisuke; Matsuyama, Yuna; Palumbo, Oriele; Pugh, David; Sudoh, Taku; Dokko, Kaoru; Watanabe, Masayoshi; Schönhoff, Monika; Shinoda, Wataru; Ueno, Kazuhide","Evolving better solvate electrolytes for lithium secondary batteries.","Chemical science","2024","15","19","7342","7358","10.1039/d4sc01492h","","x-ray","1.54184","CuKα","","0.0314","0.0308","","","0.0795","0.0799","","","","","","1.068","","","","has coordinates","292890","2024-07-05","14:58:10",""
"1571422","24.3674","0.0012","5.7733","0.0002","24.0521","0.0008","90","","105.238","0.004","90","","3264.7","0.2","223.15","","223.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H19 F3 Li N O4 S2 -","- C10 H19 F3 Li N O4 S2 -","- C80 H152 F24 Li8 N8 O32 S16 -","8","1","","Philippi, Frederik; Middendorf, Maleen; Shigenobu, Keisuke; Matsuyama, Yuna; Palumbo, Oriele; Pugh, David; Sudoh, Taku; Dokko, Kaoru; Watanabe, Masayoshi; Schönhoff, Monika; Shinoda, Wataru; Ueno, Kazuhide","Evolving better solvate electrolytes for lithium secondary batteries.","Chemical science","2024","15","19","7342","7358","10.1039/d4sc01492h","","","1.54184","CuKα","","0.0767","0.0639","","","0.1895","0.1994","","","","","","1.115","","","","has coordinates,has disorder","292890","2024-07-05","14:58:10",""
"1571423","10.398","0.0002","19.9938","0.0003","22.173","0.0004","90","","95.895","0.002","90","","4585.29","0.14","223.15","","223.15","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C24 H44 F12 Li4 N4 O14 S5 -","- C24 H44 F12 Li4 N4 O14 S5 -","- C96 H176 F48 Li16 N16 O56 S20 -","4","0.5","","Philippi, Frederik; Middendorf, Maleen; Shigenobu, Keisuke; Matsuyama, Yuna; Palumbo, Oriele; Pugh, David; Sudoh, Taku; Dokko, Kaoru; Watanabe, Masayoshi; Schönhoff, Monika; Shinoda, Wataru; Ueno, Kazuhide","Evolving better solvate electrolytes for lithium secondary batteries.","Chemical science","2024","15","19","7342","7358","10.1039/d4sc01492h","","x-ray","1.54184","CuKα","","0.0593","0.0543","","","0.1543","0.1601","","","","","","1.044","","","","has coordinates,has disorder","292890","2024-07-05","14:58:10",""
"1571424","6.7137","0.0003","7.9569","0.0003","11.1702","0.0004","98.12","0.003","97.915","0.004","113.035","0.004","531.3","0.04","223.15","","223.15","","","","","","","","","6","P -1","-P 1","2","","","","- C7 H9 Li N2 O3 S -","- C7 H9 Li N2 O3 S -","- C14 H18 Li2 N4 O6 S2 -","2","1","","Philippi, Frederik; Middendorf, Maleen; Shigenobu, Keisuke; Matsuyama, Yuna; Palumbo, Oriele; Pugh, David; Sudoh, Taku; Dokko, Kaoru; Watanabe, Masayoshi; Schönhoff, Monika; Shinoda, Wataru; Ueno, Kazuhide","Evolving better solvate electrolytes for lithium secondary batteries.","Chemical science","2024","15","19","7342","7358","10.1039/d4sc01492h","","","1.54184","CuKα","","0.0546","0.053","","","0.1348","0.1364","","","","","","1.103","","","","has coordinates,has disorder","292890","2024-07-05","14:58:10",""
"1571425","10.778","0.002","9.8031","0.0017","11.594","0.003","90","","117.183","0.007","90","","1089.7","0.4","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H27 B O3 P2 -","- C22 H27 B O3 P2 -","- C44 H54 B2 O6 P4 -","2","1","","Li, Longlong; Yu, Kui; An, Hejun; Cai, Xinping; Song, Qiuling","Enantioselective copper-catalyzed B-H bond insertion reaction of α-diazo phosphonates to access chiral α-boryl phosphonates.","Chemical science","2024","15","19","7130","7135","10.1039/d4sc01271b","","","0.71073","MoKα","","0.0572","0.0358","","","0.0809","0.102","","","","","","1.072","","","","has coordinates","292883","2024-07-05","14:15:48",""
"1571426","8.1744","0.0003","11.9929","0.0005","13.8763","0.0006","68.678","0.002","77.48","0.002","81.887","0.002","1234.2","0.09","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H50 Cl4 Cu N6 O6 -","- C44 H50 Cl4 Cu N6 O6 -","- C44 H50 Cl4 Cu N6 O6 -","1","0.5","","Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas","Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.","Chemical science","2024","15","19","7041","7050","10.1039/d4sc00732h","","","1.54178","CuKα","","0.0692","0.0585","","","0.152","0.1613","","","","","","1.064","","","","has coordinates","292886","2024-07-05","14:23:44",""
"1571427","8.5583","0.0009","21.737","0.003","12.8769","0.0019","90","","108.475","0.014","90","","2272.1","0.5","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 Cl4 Mn N6 O6 -","- C44 H50 Cl4 Mn N6 O6 -","- C88 H100 Cl8 Mn2 N12 O12 -","2","0.5","","Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas","Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.","Chemical science","2024","15","19","7041","7050","10.1039/d4sc00732h","","x-ray","1.54184","CuKα","","0.1362","0.0754","","","0.1829","0.2346","","","","","","0.967","","","","has coordinates","292886","2024-07-05","14:23:44",""
"1571428","8.4844","0.0001","20.9466","0.0002","12.8419","0.0001","90","","107.427","0.001","90","","2177.5","0.04","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H46 Cl4 Mg N6 O6 -","- C42 H46 Cl4 Mg N6 O6 -","- C84 H92 Cl8 Mg2 N12 O12 -","2","0.5","","Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas","Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.","Chemical science","2024","15","19","7041","7050","10.1039/d4sc00732h","","x-ray","1.54184","CuKα","","0.0463","0.0431","","","0.1135","0.1169","","","","","","1.072","","","","has coordinates","292886","2024-07-05","14:23:44",""
"1571429","11.3205","0.0004","13.1","0.0005","15.6723","0.0006","113.727","0.001","98.624","0.001","97.298","0.001","2058.1","0.13","170","2","170","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H42 Cl4 N6 O4 Zn -","- C42 H42 Cl4 N6 O4 Zn -","- C84 H84 Cl8 N12 O8 Zn2 -","2","1","","Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas","Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.","Chemical science","2024","15","19","7041","7050","10.1039/d4sc00732h","","","1.54178","CuKα","","0.0391","0.0361","","","0.0943","0.0968","","","","","","1.051","","","","has coordinates","292886","2024-07-05","14:23:44",""
"1571430","14.8231","0.0001","14.7787","0.0001","19.9676","0.0002","90","","96.879","0.001","90","","4342.74","0.06","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H44 Cl4 N6 O5 Zn -","- C42 H44 Cl4 N6 O5 Zn -","- C168 H176 Cl16 N24 O20 Zn4 -","4","1","","Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas","Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.","Chemical science","2024","15","19","7041","7050","10.1039/d4sc00732h","","x-ray","1.54184","CuKα","","0.0566","0.0486","","","0.1357","0.1454","","","","","","1.044","","","","has coordinates,has disorder","292886","2024-07-05","14:23:44",""
"1571431","21.7971","0.0005","8.3133","0.0002","21.527","0.0006","90","","90.584","0.002","90","","3900.62","0.17","170","","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H36 Cl4 Cu N6 O4 -","- C39 H36 Cl4 Cu N6 O4 -","- C156 H144 Cl16 Cu4 N24 O16 -","4","1","","Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas","Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.","Chemical science","2024","15","19","7041","7050","10.1039/d4sc00732h","","","1.54184","CuKα","","0.0717","0.0608","","","0.1626","0.175","","","","","","1.08","","","","has coordinates","292886","2024-07-05","14:23:44",""
"1571432","8.5133","0.0002","20.8959","0.0007","12.8879","0.0004","90","","107.409","0.001","90","","2187.65","0.11","170","0.1","170","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H46 Cl4 Mn N6 O6 -","- C42 H46 Cl4 Mn N6 O6 -","- C84 H92 Cl8 Mn2 N12 O12 -","2","0.5","","Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas","Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.","Chemical science","2024","15","19","7041","7050","10.1039/d4sc00732h","","","0.71073","MoKα","","0.0369","0.0311","","","0.0802","0.0852","","","","","","1.075","","","","has coordinates","292886","2024-07-05","14:23:44",""
"1571433","8.5036","0.0001","21.7792","0.0003","12.8123","0.0002","90","","108.489","0.002","90","","2250.38","0.06","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 Cl4 Mg N6 O6 -","- C44 H50 Cl4 Mg N6 O6 -","- C88 H100 Cl8 Mg2 N12 O12 -","2","0.5","","Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas","Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.","Chemical science","2024","15","19","7041","7050","10.1039/d4sc00732h","","x-ray","1.54184","CuKα","","0.0421","0.0346","","","0.0893","0.0942","","","","","","1.048","","","","has coordinates","292886","2024-07-05","14:23:44",""
"1571434","8.1316","0.0003","10.8394","0.0003","24.3849","0.0007","90","","97.503","0.003","90","","2130.92","0.12","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H46 Cl4 Cu N6 O6 -","- C42 H46 Cl4 Cu N6 O6 -","- C84 H92 Cl8 Cu2 N12 O12 -","2","0.5","","Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas","Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.","Chemical science","2024","15","19","7041","7050","10.1039/d4sc00732h","","x-ray","1.54184","CuKα","","0.0595","0.0526","","","0.1443","0.1532","","","","","","1.072","","","","has coordinates,has disorder","292886","2024-07-05","14:23:44",""
"1571435","15.7556","0.0003","15.5699","0.0003","16.1773","0.0003","90","","109.828","0.002","90","","3733.23","0.13","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H36 Cl4 N6 O4 Zn -","- C39 H36 Cl4 N6 O4 Zn -","- C156 H144 Cl16 N24 O16 Zn4 -","4","1","","Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas","Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.","Chemical science","2024","15","19","7041","7050","10.1039/d4sc00732h","","x-ray","1.54184","CuKα","","0.058","0.0542","","","0.1465","0.1519","","","","","","1.059","","","","has coordinates","292886","2024-07-05","14:23:44",""
"1571436","14.7461","0.0003","14.5959","0.0003","19.2358","0.0003","90","","97.599","0.002","90","","4103.81","0.14","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H42 Cl4 N6 O5 Zn -","- C41 H42 Cl4 N6 O5 Zn -","- C164 H168 Cl16 N24 O20 Zn4 -","4","1","","Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas","Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.","Chemical science","2024","15","19","7041","7050","10.1039/d4sc00732h","","x-ray","1.54184","CuKα","","0.0561","0.0524","","","0.1407","0.145","","","","","","1.027","","","","has coordinates","292886","2024-07-05","14:23:44",""
"1571437","21.9901","0.0003","11.7699","0.0002","15.3428","0.0002","90","","106.646","0.001","90","","3804.63","0.1","149.95","0.15","149.95","0.15","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H36 Cl2 N4 Zn -","- C46 H36 Cl2 N4 Zn -","- C184 H144 Cl8 N16 Zn4 -","4","1","","Shonde, Tunde Blessed; Liu, He; Olasupo, Oluwadara Joshua; Bouchard, Alexander; Bouchard, Sara; Franklin, Annaliese; Lin, Xinsong; Stand, Luis M.; Ma, Biwu","Aggregation-induced emission organic metal halide complex for X-ray scintillation.","Materials horizons","2024","11","13","3076","3081","10.1039/d4mh00142g","","x-ray","1.54184","CuKα","","0.0497","0.0471","","","0.1334","0.1378","","","","","","1.085","","","","has coordinates","293298","2024-07-05","18:12:45",""
"1571438","10.7014","0.0007","11.5495","0.0006","14.4626","0.0009","96.02","0.002","109.788","0.002","111.822","0.002","1505.99","0.16","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","1","","- C22 H35 B21 -","- C22 H35 B21 -","- C44 H70 B42 -","2","1","","Li, Yijie; Tamizmani, Masilamani; Akram, Manjur O.; Martin, Caleb D.","Carborane-arene fused boracyclic analogues of polycyclic aromatic hydrocarbons accessed by intramolecular borylation.","Chemical science","2024","15","20","7568","7575","10.1039/d4sc00990h","","","0.71073","MoKα","","0.049","0.0431","","","0.118","0.1234","","","","","","1.041","","","","has coordinates","292905","2024-07-05","15:01:56",""
"1571439","11.6463","0.0003","6.9742","0.0002","26.5047","0.0008","90","","95.4","0.001","90","","2143.25","0.1","150","2","150","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","4","","- C22 H23 B11 -","- C22 H23 B11 -","- C88 H92 B44 -","4","1","","Li, Yijie; Tamizmani, Masilamani; Akram, Manjur O.; Martin, Caleb D.","Carborane-arene fused boracyclic analogues of polycyclic aromatic hydrocarbons accessed by intramolecular borylation.","Chemical science","2024","15","20","7568","7575","10.1039/d4sc00990h","","","0.71073","MoKα","","0.072","0.0541","","","0.1269","0.148","","","","","","1.07","","","","has coordinates","292905","2024-07-05","15:01:56",""
"1571440","16.7926","0.0007","11.1704","0.0004","14.4378","0.0006","90","","101.45","0.002","90","","2654.34","0.18","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","BrBPhoCb2","","- C16 H30 B21 Br -","- C16 H30 B21 Br -","- C64 H120 B84 Br4 -","4","1","","Li, Yijie; Tamizmani, Masilamani; Akram, Manjur O.; Martin, Caleb D.","Carborane-arene fused boracyclic analogues of polycyclic aromatic hydrocarbons accessed by intramolecular borylation.","Chemical science","2024","15","20","7568","7575","10.1039/d4sc00990h","","","0.71073","MoKα","","0.0417","0.0379","","","0.099","0.1013","","","","","","1.081","","","","has coordinates","292905","2024-07-05","15:01:56",""
"1571441","10.959","0.0006","15.3894","0.0007","20.917","0.0012","90","","94.611","0.002","90","","3516.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","BrB2NpoCb2","","- C25 H36 B21 Br Cl2 -","- C25 H36 B21 Br Cl2 -","- C100 H144 B84 Br4 Cl8 -","4","1","","Li, Yijie; Tamizmani, Masilamani; Akram, Manjur O.; Martin, Caleb D.","Carborane-arene fused boracyclic analogues of polycyclic aromatic hydrocarbons accessed by intramolecular borylation.","Chemical science","2024","15","20","7568","7575","10.1039/d4sc00990h","","","0.71073","MoKα","","0.0634","0.0532","","","0.1512","0.1636","","","","","","1.069","","","","has coordinates","292905","2024-07-05","15:01:56",""
"1571442","21.0576","0.0008","12.2737","0.0005","23.5735","0.001","90","","90","","90","","6092.7","0.4","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2","","- C24 H33 B21 -","- C24 H33 B21 -","- C192 H264 B168 -","8","1","","Li, Yijie; Tamizmani, Masilamani; Akram, Manjur O.; Martin, Caleb D.","Carborane-arene fused boracyclic analogues of polycyclic aromatic hydrocarbons accessed by intramolecular borylation.","Chemical science","2024","15","20","7568","7575","10.1039/d4sc00990h","","","0.71073","MoKα","","0.0649","0.0619","","","0.1513","0.1532","","","","","","1.088","","","","has coordinates","292905","2024-07-05","15:01:56",""
"1571443","11.4807","0.0005","9.3411","0.0005","18.5768","0.0009","90","","96.484","0.002","90","","1979.48","0.17","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3","","- C18 H21 B11 -","- C18 H21 B11 -","- C72 H84 B44 -","4","1","","Li, Yijie; Tamizmani, Masilamani; Akram, Manjur O.; Martin, Caleb D.","Carborane-arene fused boracyclic analogues of polycyclic aromatic hydrocarbons accessed by intramolecular borylation.","Chemical science","2024","15","20","7568","7575","10.1039/d4sc00990h","","","0.71073","MoKα","","0.0548","0.0501","","","0.1269","0.1329","","","","","","1.074","","","","has coordinates","292905","2024-07-05","15:01:56",""
"1571444","10.8811","0.0012","10.8811","0.0012","31.653","0.005","90","","90","","120","","3245.6","0.7","100","","100","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C2.57 H3.86 Cu0.14 N0.86 O0.86 -","- C2.57143 H3.28571 Cu0.142857 N0.857143 O0.571429 -","- C108 H138 Cu6 N36 O24 -","42","7","","Maniappan, Sonia; Dutta, Camelia; Cheran, Arunima; Solís, Diego M; Kumar, Jatish","Engineering copper plasmonic chirality <i>via</i> ligand-induced dissolution for enantioselective recognition of amino acids.","Chemical science","2024","15","19","7121","7129","10.1039/d4sc00477a","","","0.71073","MoKα","","0.0601","0.0576","","","0.1435","0.1447","","","","","","1.123","","","","has coordinates","292888","2024-07-05","14:57:09",""
"1571445","10.9067","0.0008","10.9067","0.0008","31.97","0.004","90","","90","","120","","3293.5","0.5","100","","100","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C2.571 H4.146 Cu0.143 N0.857 O -","- C2.57143 H3.28571 Cu0.142857 N0.857143 O0.571429 -","- C108 H138 Cu6 N36 O24 -","42","7","","Maniappan, Sonia; Dutta, Camelia; Cheran, Arunima; Solís, Diego M; Kumar, Jatish","Engineering copper plasmonic chirality <i>via</i> ligand-induced dissolution for enantioselective recognition of amino acids.","Chemical science","2024","15","19","7121","7129","10.1039/d4sc00477a","","","0.71073","MoKα","","0.0717","0.0677","","","0.1608","0.1631","","","","","","1.032","","","","has coordinates","292888","2024-07-05","14:57:09",""
"1571446","10.6889","0.0007","14.1596","0.0009","15.3942","0.0009","82.996","0.005","87.336","0.005","68.73","0.006","2155","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Ni3(H3sal-dahp)?DMF","C42H50N6Ni3O12","","- C42 H50 N6 Ni3 O12 -","- C42 H48 N6 Ni3 O12 -","- C84 H96 N12 Ni6 O24 -","2","1","","Li, Li; Zhao, Hui-Feng; Gan, Mei-Xing; Zhang, Tao; Li, Jia-Ning; Tao, Shi; Peng, Jing; Yu, Hai-Bin; Peng, Xu","Amorphous conversion in pyrolytic symmetric trinuclear nickel clusters trigger trifunctional electrocatalysts.","Chemical science","2024","15","20","7689","7697","10.1039/d4sc01696c","","x-ray","1.54184","CuKα","","0.0759","0.0683","","","0.1949","0.2012","","","","","","1.076","","","","has coordinates","292906","2024-07-05","15:02:05",""
"1571447","8.6747","0.0005","6.9706","0.0005","12.3186","0.0006","90","","107.234","0.006","90","","711.44","0.08","173.01","0.1","173.01","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","'2,4-dibromo-6-(3,3-dimethyl-3H-indol-2-yl)phenol'","","- C16 H13 Br2 N O -","- C16 H13 Br2 N O -","- C32 H26 Br4 N2 O2 -","2","0.5","","Stoerkler, Timothée; Ulrich, Gilles; Retailleau, Pascal; Laurent, Adèle D; Jacquemin, Denis; Massue, Julien","Experimental and theoretical comprehension of ESIPT fluorophores based on a 2-(2'-hydroxyphenyl)-3,3'-dimethylindole (HDMI) scaffold.","Chemical science","2024","15","19","7206","7218","10.1039/d4sc01937g","","x-ray","0.71073","MoKα","","0.0331","0.0199","","","0.0326","0.0347","","","","","","1.0353","","","","has coordinates","292889","2024-07-05","14:57:55",""
"1571448","8.50238","0.00018","10.0282","0.0002","12.6916","0.0003","70.6975","0.0019","89.7069","0.0017","85.8279","0.0017","1018.39","0.04","173","0.1","173","0.1","","","","","","","","4","P -1","-P 1","2","","'2,4-dibromo-6-(3,3-dimethyl-3H-indol-2-yl)phenol'","","- C26 H21 N3 O -","- C26 H21 N3 O -","- C52 H42 N6 O2 -","2","1","","Stoerkler, Timothée; Ulrich, Gilles; Retailleau, Pascal; Laurent, Adèle D; Jacquemin, Denis; Massue, Julien","Experimental and theoretical comprehension of ESIPT fluorophores based on a 2-(2'-hydroxyphenyl)-3,3'-dimethylindole (HDMI) scaffold.","Chemical science","2024","15","19","7206","7218","10.1039/d4sc01937g","","x-ray","0.71073","MoKα","","0.02","0.0153","","","0.0325","0.0336","","","","","","1.0715","","","","has coordinates","292889","2024-07-05","14:57:56",""
"1571449","8.3326","0.0002","12.8054","0.0003","32.7329","0.0008","90","","90","","90","","3492.67","0.14","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Br2 N2 O3 -","- C18 H16 Br2 N2 O3 -","- C144 H128 Br16 N16 O24 -","8","1","","Ishikawa, Soh; Yamasumi, Kazuhisa; Sugiura, Shinya; Sato, Shunsuke; Watanabe, Go; Koo, Yun Hee; Seki, Shu; Bando, Yuya; Haketa, Yohei; Shinokubo, Hiroshi; Maeda, Hiromitsu","Norcorroles as antiaromatic π-electronic systems that form dimension-controlled assemblies.","Chemical science","2024","15","20","7603","7609","10.1039/d4sc01633e","","","0.81032","Synchrotron","","0.0505","0.05","","","0.1231","0.1234","","","","","","1.121","","","","has coordinates","292908","2024-07-05","15:03:15",""
"1571450","19.513","0.008","3.9317","0.0017","18.474","0.007","90","","96.947","0.015","90","","1406.9","1","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 N4 Ni O6 -","- C36 H30 N4 Ni O6 -","- C72 H60 N8 Ni2 O12 -","2","0.5","","Ishikawa, Soh; Yamasumi, Kazuhisa; Sugiura, Shinya; Sato, Shunsuke; Watanabe, Go; Koo, Yun Hee; Seki, Shu; Bando, Yuya; Haketa, Yohei; Shinokubo, Hiroshi; Maeda, Hiromitsu","Norcorroles as antiaromatic π-electronic systems that form dimension-controlled assemblies.","Chemical science","2024","15","20","7603","7609","10.1039/d4sc01633e","","","0.71073","MoKα","","0.1183","0.0834","","","0.1605","0.1758","","","","","","1.15","","","","has coordinates","292908","2024-07-05","15:03:16",""
"1571451","8.9821","0.0001","31.6135","0.0003","12.7862","0.0002","90","","90.976","0.001","90","","3630.19","0.08","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 Br4 N4 Ni O6 -","- C36 H30 Br4 N4 Ni O6 -","- C144 H120 Br16 N16 Ni4 O24 -","4","1","","Ishikawa, Soh; Yamasumi, Kazuhisa; Sugiura, Shinya; Sato, Shunsuke; Watanabe, Go; Koo, Yun Hee; Seki, Shu; Bando, Yuya; Haketa, Yohei; Shinokubo, Hiroshi; Maeda, Hiromitsu","Norcorroles as antiaromatic π-electronic systems that form dimension-controlled assemblies.","Chemical science","2024","15","20","7603","7609","10.1039/d4sc01633e","","","1.54184","CuKα","","0.0368","0.0362","","","0.0941","0.0946","","","","","","1.075","","","","has coordinates,has disorder","292908","2024-07-05","15:03:16",""
"1571452","13.0251","0.0004","13.0786","0.0004","22.9482","0.0009","95.536","0.002","105.627","0.002","95.81","0.003","3714","0.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C54.67 H68.67 N4 Ni O6.67 -","- C54.6667 H68.6667 N4 Ni O6.66667 -","- C164 H206 N12 Ni3 O20 -","3","1.5","","Ishikawa, Soh; Yamasumi, Kazuhisa; Sugiura, Shinya; Sato, Shunsuke; Watanabe, Go; Koo, Yun Hee; Seki, Shu; Bando, Yuya; Haketa, Yohei; Shinokubo, Hiroshi; Maeda, Hiromitsu","Norcorroles as antiaromatic π-electronic systems that form dimension-controlled assemblies.","Chemical science","2024","15","20","7603","7609","10.1039/d4sc01633e","","","0.81082","Synchrotron","","0.1214","0.0875","","","0.2344","0.2634","","","","","","1.034","","","","has coordinates,has disorder","292908","2024-07-05","15:03:16",""
"1571453","15.7599","0.0016","17.6063","0.0016","15.3755","0.0014","90","","90","","90","","4266.3","0.7","100","","100","","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C48 H32 Cl2 F2 N4 O4 U2 -","- C48 H32 Cl2 F2 N4 O4 U2 -","- C192 H128 Cl8 F8 N16 O16 U8 -","4","0.5","","Rutkauskaite, Ryte; Zhang, Xiaobin; Woodward, Adam W.; Liu, Yanlin; Herrera, Gabriel; Purkis, Jamie; Woodall, Sean D.; Sarsfield, Mark; Schreckenbach, Georg; Natrajan, Louise S.; Arnold, Polly L.","The effect of ancillary ligands on hydrocarbon C-H bond functionalization by uranyl photocatalysts.","Chemical science","2024","15","18","6965","6978","10.1039/d4sc01310g","","","0.7288","synchrotron","","0.0394","0.0279","","","0.0584","0.0625","","","","","","1.032","","","","has coordinates","292916","2024-07-05","15:06:17",""
"1571454","12.2797","0.0002","12.7824","0.0002","24.6681","0.0003","90","","90","","90","","3872","0.1","99.99","0.13","99.99","0.13","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 Cl2 N4 O2 U -","- C48 H32 Cl2 N4 O2 U -","- C192 H128 Cl8 N16 O8 U4 -","4","1","","Rutkauskaite, Ryte; Zhang, Xiaobin; Woodward, Adam W.; Liu, Yanlin; Herrera, Gabriel; Purkis, Jamie; Woodall, Sean D.; Sarsfield, Mark; Schreckenbach, Georg; Natrajan, Louise S.; Arnold, Polly L.","The effect of ancillary ligands on hydrocarbon C-H bond functionalization by uranyl photocatalysts.","Chemical science","2024","15","18","6965","6978","10.1039/d4sc01310g","","x-ray","0.71073","MoKα","","0.0316","0.0246","","","0.043","0.0443","","","","","","1.021","","","","has coordinates","292916","2024-07-05","15:06:17",""
"1571455","9.0602","0.0001","18.1719","0.0002","15.7262","0.0002","90","","97.135","0.001","90","","2569.13","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Cl2 N2 O3 U -","- C28 H24 Cl2 N2 O3 U -","- C112 H96 Cl8 N8 O12 U4 -","4","1","","Rutkauskaite, Ryte; Zhang, Xiaobin; Woodward, Adam W.; Liu, Yanlin; Herrera, Gabriel; Purkis, Jamie; Woodall, Sean D.; Sarsfield, Mark; Schreckenbach, Georg; Natrajan, Louise S.; Arnold, Polly L.","The effect of ancillary ligands on hydrocarbon C-H bond functionalization by uranyl photocatalysts.","Chemical science","2024","15","18","6965","6978","10.1039/d4sc01310g","","x-ray","0.71073","MoKα","","0.0202","0.0167","","","0.0363","0.0371","","","","","","1.033","","","","has coordinates","292916","2024-07-05","15:06:17",""
"1571456","14.4589","0.0002","26.3459","0.0004","14.4152","0.0002","90","","89.399","0.001","90","","5490.92","0.14","99.98","0.12","99.98","0.12","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H42 Cl6 N4 O4 U2 -","- C60 H42 Cl6 N4 O4 U2 -","- C240 H168 Cl24 N16 O16 U8 -","4","0.5","","Rutkauskaite, Ryte; Zhang, Xiaobin; Woodward, Adam W.; Liu, Yanlin; Herrera, Gabriel; Purkis, Jamie; Woodall, Sean D.; Sarsfield, Mark; Schreckenbach, Georg; Natrajan, Louise S.; Arnold, Polly L.","The effect of ancillary ligands on hydrocarbon C-H bond functionalization by uranyl photocatalysts.","Chemical science","2024","15","18","6965","6978","10.1039/d4sc01310g","","x-ray","0.71073","MoKα","","0.0426","0.0261","","","0.0547","0.0623","","","","","","1.063","","","","has coordinates,has disorder","292916","2024-07-05","15:06:17",""
"1571457","11.1956","0.0005","16.7938","0.0007","21.6192","0.001","90","","94.677","0.002","90","","4051.2","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H62 N7 P -","- C35 H62 N7 P -","- C140 H248 N28 P4 -","4","1","","Wen, Lang-Qi; Chen, Wei; Ren, Wei-Min; Lu, Xiao-Bing; Zhou, Hui","N,N′-Bis(imidazolyl)guanidinylphosphines: powerful initiators for conjugate-addition polymerization of Michael-type monomers","Polymer Chemistry","2024","15","18","1877","1883","10.1039/D3PY01231J","","","0.71073","MoKα","","0.1179","0.0661","","","0.1802","0.2055","","","","","","1.037","","","","has coordinates,has disorder","293295","2024-07-05","18:10:42",""
"1571458","11.3245","0.0015","18.881","0.003","17.927","0.002","90","","98.208","0.004","90","","3793.8","0.9","272","","272","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H50 N7 P S2 -","- C36 H50 N7 P S2 -","- C144 H200 N28 P4 S8 -","4","1","","Wen, Lang-Qi; Chen, Wei; Ren, Wei-Min; Lu, Xiao-Bing; Zhou, Hui","N,N′-Bis(imidazolyl)guanidinylphosphines: powerful initiators for conjugate-addition polymerization of Michael-type monomers","Polymer Chemistry","2024","15","18","1877","1883","10.1039/D3PY01231J","","","0.71073","MoKα","","0.1229","0.0671","","","0.1509","0.172","","","","","","1.098","","","","has coordinates","293295","2024-07-05","18:10:51",""
"1571459","7.0744","0.0001","13.6038","0.0003","20.6602","0.0004","98.903","0.001","96.002","0.001","101.59","0.001","1905.31","0.06","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H18 Ni4 O19 -","- C36 H18 Ni4 O19 -","- C72 H36 Ni8 O38 -","2","1","","Sikdar, Nivedita; Laha, Subhajit; Jena, Rohan; Dey, Anupam; Rahimi, Faruk Ahamed; Maji, Tapas Kumar","An adsorbate biased dynamic 3D porous framework for inverse CO<sub>2</sub> sieving over C<sub>2</sub>H<sub>2</sub>.","Chemical science","2024","15","20","7698","7706","10.1039/d3sc06611h","","","0.71073","MoKα","","0.0709","0.041","","","0.1087","0.1236","","","","","","1.06","","","","has coordinates","292904","2024-07-05","15:01:38",""
"1571460","15.6496","0.0008","15.6496","0.0008","18.1435","0.0013","90","","90","","90","","4443.5","0.5","120","2","120","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C44 H68 N2 S4 Zn -","- C44 H68 N2 S4 Zn -","- C176 H272 N8 S16 Zn4 -","4","0.5","","Seo, W. T. Michael; Riffel, Madeline N.; Oliver, Allen G.; Tsui, Emily Y.","Metal-cation-induced shifts in thiolate redox and reduced sulfur speciation.","Chemical science","2024","15","19","7332","7341","10.1039/d4sc01025f","","","0.71073","MoKα","","0.0513","0.0445","","","0.097","0.1018","","","","","","1.076","","","","has coordinates,has disorder","292884","2024-07-05","14:15:56",""
"1571461","10.9064","0.0005","18.3923","0.0011","10.9552","0.0005","90","","90.901","0.004","90","","2197.27","0.19","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 O2 S2 -","- C28 H24 O2 S2 -","- C112 H96 O8 S8 -","4","1","","Hurtado-Gallego, Juan; van der Poel, Sebastiaan; Blaschke, Matthias; Gallego, Almudena; Hsu, Chunwei; López-Nebreda, Rubén; Mayor, Marcel; Pauly, Fabian; Agraït, Nicolás; van der Zant, Herre S. J.","Benchmarking break-junction techniques: electric and thermoelectric characterization of naphthalenophanes.","Nanoscale","2024","16","22","10751","10759","10.1039/d4nr00704b","","x-ray","1.34143","GaKα","","0.1056","0.0813","","","0.2333","0.2574","","","","","","1.03","","","","has coordinates","293177","2024-07-05","17:28:38",""
"1571462","23.0173","0.0003","10.1152","0.0001","26.443","0.0003","90","","113.484","0.001","90","","5646.64","0.12","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Br N2 -","- C23 H19 Br N2 -","- C276 H228 Br12 N24 -","12","3","","Pragya, Pragya; Rangan, Krishnan; Khungar, Bharti","Detection of TNP and Sulfite Ion in Aqueous Medium by Pyrazinium-based Chemosensor","Sensors & Diagnostics","2024","","","","","10.1039/D3SD00345K","","x-ray","1.54184","CuKα","","0.0383","0.0361","","","0.0999","0.1014","","","","","","1.076","","","","has coordinates","291286","2024-04-19","04:10:23",""
"1571463","17.3755","0.0002","19.6061","0.0002","15.0107","0.0002","90","","103.371","0.001","90","","4975.02","0.1","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H21 N5 O7 -","- C29 H21 N5 O7 -","- C232 H168 N40 O56 -","8","1","","Pragya, Pragya; Rangan, Krishnan; Khungar, Bharti","Detection of TNP and Sulfite Ion in Aqueous Medium by Pyrazinium-based Chemosensor","Sensors & Diagnostics","2024","","","","","10.1039/D3SD00345K","","x-ray","1.54184","CuKα","","0.0592","0.0557","","","0.1389","0.1412","","","","","","1.058","","","","has coordinates","291286","2024-04-19","04:10:24",""
"1571464","15.4846","0.0003","15.4846","0.0003","12.3372","0.0004","90","","90","","90","","2958.13","0.13","114","3","110","","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","InOF-1_110K","","- C8 H3 In O5 -","- C8 H3 In O5 -","- C64 H24 In8 O40 -","8","0.5","","Liu, Zhanning; Xing, Chengyong; Wu, Shaowen; Ma, Min; Tian, Jian","Biphenyl tetracarboxylic acid-based metal-organic frameworks: a case of topology-dependent thermal expansion.","Materials horizons","2024","11","14","3345","3351","10.1039/d3mh02185h","","","1.54184","CuKα","","0.0247","0.0241","","","0.0631","0.0638","","","","","","1.128","","","","has coordinates","293946","2024-08-05","20:09:41",""
"1571465","15.4791","0.0002","15.4791","0.0002","12.3348","0.0003","90","","90","","90","","2955.45","0.09","200.06","0.1","200","","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","InOF-1_200K","","- C8 H3 In O5 -","- C8 H3 In O5 -","- C64 H24 In8 O40 -","8","0.5","","Liu, Zhanning; Xing, Chengyong; Wu, Shaowen; Ma, Min; Tian, Jian","Biphenyl tetracarboxylic acid-based metal-organic frameworks: a case of topology-dependent thermal expansion.","Materials horizons","2024","11","14","3345","3351","10.1039/d3mh02185h","","","1.54184","CuKα","","0.0225","0.0217","","","0.0623","0.0626","","","","","","1.167","","","","has coordinates","293946","2024-08-05","20:09:42",""
"1571466","15.4819","0.0002","15.4819","0.0002","12.3361","0.0003","90","","90","","90","","2956.83","0.09","150.01","0.1","150","","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","InOF-1_150K","","- C8 H3 In O5 -","- C8 H3 In O5 -","- C64 H24 In8 O40 -","8","0.5","","Liu, Zhanning; Xing, Chengyong; Wu, Shaowen; Ma, Min; Tian, Jian","Biphenyl tetracarboxylic acid-based metal-organic frameworks: a case of topology-dependent thermal expansion.","Materials horizons","2024","11","14","3345","3351","10.1039/d3mh02185h","","","1.54184","CuKα","","0.022","0.0214","","","0.0599","0.0602","","","","","","1.158","","","","has coordinates","293946","2024-08-05","20:09:42",""
"1571467","15.4763","0.0003","15.4763","0.0003","12.3336","0.0003","90","","90","","90","","2954.09","0.11","250","0.1","250","","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","InOF-1_250K","","- C8 H3 In O5 -","- C8 H3 In O5 -","- C64 H24 In8 O40 -","8","0.5","","Liu, Zhanning; Xing, Chengyong; Wu, Shaowen; Ma, Min; Tian, Jian","Biphenyl tetracarboxylic acid-based metal-organic frameworks: a case of topology-dependent thermal expansion.","Materials horizons","2024","11","14","3345","3351","10.1039/d3mh02185h","","","1.54184","CuKα","","0.0186","0.018","","","0.0512","0.0515","","","","","","1.21","","","","has coordinates","293946","2024-08-05","20:09:42",""
"1571468","15.4711","0.0002","15.4711","0.0002","12.331","0.0003","90","","90","","90","","2951.49","0.09","350","0.1","350","","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","InOF-1_350K","","- C8 H3 In O5 -","- C8 H3 In O5 -","- C64 H24 In8 O40 -","8","0.5","","Liu, Zhanning; Xing, Chengyong; Wu, Shaowen; Ma, Min; Tian, Jian","Biphenyl tetracarboxylic acid-based metal-organic frameworks: a case of topology-dependent thermal expansion.","Materials horizons","2024","11","14","3345","3351","10.1039/d3mh02185h","","","1.54184","CuKα","","0.025","0.0219","","","0.0552","0.0565","","","","","","1.111","","","","has coordinates","293946","2024-08-05","20:09:42",""
"1571469","15.4732","0.00014","15.4732","0.00014","12.3324","0.00017","90","","90","","90","","2952.62","0.06","300.1","0.18","300.1","0.18","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","InOF-1_300K","","- C8 H3 In O5 -","- C8 H3 In O5 -","- C64 H24 In8 O40 -","8","0.5","","Liu, Zhanning; Xing, Chengyong; Wu, Shaowen; Ma, Min; Tian, Jian","Biphenyl tetracarboxylic acid-based metal-organic frameworks: a case of topology-dependent thermal expansion.","Materials horizons","2024","11","14","3345","3351","10.1039/d3mh02185h","","x-ray","1.54184","CuKα","","0.0226","0.0217","","","0.062","0.0624","","","","","","1.163","","","","has coordinates","293946","2024-08-05","20:09:42",""
"1571470","22.0407","0.0006","12.4642","0.0003","18.0706","0.0005","90","","107.495","0.001","90","","4734.7","0.2","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Ethidium benzoate methanol monosolvate","8-Amino-5-ethyl-6-phenylphenanthridin-5-ium benzoate methanol monosolvate","","- C29 H29 N3 O3 -","- C29 H29 N3 O3 -","- C232 H232 N24 O24 -","8","1","TK4103","Shimazaki, Runa; Sadakiyo, Masaaki","Ethidium benzoate methanol monosolvate","IUCrData","2024","9","4","","","10.1107/S241431462400302X","","","0.71069","MoKα","","0.0688","0.0532","","","0.139","0.1504","","","","","","1.048","","","","has coordinates","291294","2024-04-19","04:54:56",""
"1571471","8.313","0.0004","7.2925","0.0004","6.4432","0.0003","90","","102.186","0.002","90","","381.8","0.03","","","293","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C3 Na2 O2 -","- C3 Na2 O2 -","- C12 Na8 O8 -","4","0.5","","Krüger, Markus; Lamann-Glees, Alexandra; Sebastian, Sean S; Siegel, Renée; Senker, Jürgen; Hempelmann, Jan; Dronskowski, Richard; Ruschewitz, Uwe","Na<sub>2</sub>C<sub>3</sub>O<sub>2</sub>: The First Crystalline Compound with the Elusive <sup>-</sup>C≡C-COO<sup>-</sup> Anion.","Angewandte Chemie (International ed. in English)","2024","","","e202402978","","10.1002/anie.202402978","powder diffraction","x-ray","0.47674","","","","","","","","","","0.0516","","","","","","","","has coordinates","291307","2024-04-21","18:51:19",""
"1571472","12.28419","0.00014","13.47791","0.00017","13.8303","0.00017","90","","90","","90","","2289.82","0.05","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H21 N O4 -","- C28 H21 N O4 -","- C112 H84 N4 O16 -","4","1","","Gaucherand, Arthur; Yen-Pon, Expédite; García-López, Diego; Naubron, Jean-Valère; Chentouf, Sara; Giorgi, Michel; Humbel, Stéphane; Jean, Marion; Rodriguez, Jean; Bonne, Damien","Padlocking dihydrofurannulation for the control of small degree of helicity built on a fused-tetracyclic core.","Chemical science","2024","15","19","7300","7307","10.1039/d4sc00745j","","x-ray","1.54184","CuKα","","0.04","0.0371","","","0.0992","0.1032","","","","","","1.025","","","","has coordinates","292887","2024-07-05","14:50:19",""
"1571473","15.4716","0.0008","10.1507","0.0008","27.2357","0.0019","90","","90","","90","","4277.3","0.5","295","","295","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C54 H38 N2 O10 -","- C54 H38 N2 O10 -","- C216 H152 N8 O40 -","4","1","","Gaucherand, Arthur; Yen-Pon, Expédite; García-López, Diego; Naubron, Jean-Valère; Chentouf, Sara; Giorgi, Michel; Humbel, Stéphane; Jean, Marion; Rodriguez, Jean; Bonne, Damien","Padlocking dihydrofurannulation for the control of small degree of helicity built on a fused-tetracyclic core.","Chemical science","2024","15","19","7300","7307","10.1039/d4sc00745j","","x-ray","1.54184","CuKα","","0.0792","0.0706","","","0.1815","0.1946","","","","","","1.04","","","","has coordinates","292887","2024-07-05","14:50:19",""
"1571474","15.316","0.0005","9.2552","0.0002","16.7635","0.0005","90","","112.958","0.004","90","","2188.05","0.13","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 Cl N O4 -","- C27 H18 Cl N O4 -","- C108 H72 Cl4 N4 O16 -","4","1","","Gaucherand, Arthur; Yen-Pon, Expédite; García-López, Diego; Naubron, Jean-Valère; Chentouf, Sara; Giorgi, Michel; Humbel, Stéphane; Jean, Marion; Rodriguez, Jean; Bonne, Damien","Padlocking dihydrofurannulation for the control of small degree of helicity built on a fused-tetracyclic core.","Chemical science","2024","15","19","7300","7307","10.1039/d4sc00745j","","x-ray","1.54184","CuKα","","0.0671","0.0473","","","0.1342","0.1692","","","","","","1.132","","","","has coordinates","292887","2024-07-05","14:50:19",""
"1571475","8.7947","0.0002","9.7683","0.0002","13.675","0.0003","78.591","0.002","74.221","0.002","66.162","0.002","1028.93","0.04","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H19 N O4 -","- C27 H19 N O4 -","- C54 H38 N2 O8 -","2","1","","Gaucherand, Arthur; Yen-Pon, Expédite; García-López, Diego; Naubron, Jean-Valère; Chentouf, Sara; Giorgi, Michel; Humbel, Stéphane; Jean, Marion; Rodriguez, Jean; Bonne, Damien","Padlocking dihydrofurannulation for the control of small degree of helicity built on a fused-tetracyclic core.","Chemical science","2024","15","19","7300","7307","10.1039/d4sc00745j","","x-ray","1.54184","CuKα","","0.0469","0.0435","","","0.1221","0.126","","","","","","1.039","","","","has coordinates","292887","2024-07-05","14:50:19",""
"1571476","10.9082","0.0006","13.462","0.0007","28.21","0.0013","90","","90","","90","","4142.5","0.4","295","","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H17 N O5 -","- C27 H17 N O5 -","- C216 H136 N8 O40 -","8","1","","Gaucherand, Arthur; Yen-Pon, Expédite; García-López, Diego; Naubron, Jean-Valère; Chentouf, Sara; Giorgi, Michel; Humbel, Stéphane; Jean, Marion; Rodriguez, Jean; Bonne, Damien","Padlocking dihydrofurannulation for the control of small degree of helicity built on a fused-tetracyclic core.","Chemical science","2024","15","19","7300","7307","10.1039/d4sc00745j","","x-ray","1.54184","CuKα","","0.097","0.0661","","","0.231","0.2934","","","","","","1.132","","","","has coordinates","292887","2024-07-05","14:50:19",""
"1571477","9.1876","0.0001","11.1452","0.0001","20.9565","0.0002","90","","90","","90","","2145.9","0.04","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H20 N2 O3 -","- C27 H20 N2 O3 -","- C108 H80 N8 O12 -","4","1","","Gaucherand, Arthur; Yen-Pon, Expédite; García-López, Diego; Naubron, Jean-Valère; Chentouf, Sara; Giorgi, Michel; Humbel, Stéphane; Jean, Marion; Rodriguez, Jean; Bonne, Damien","Padlocking dihydrofurannulation for the control of small degree of helicity built on a fused-tetracyclic core.","Chemical science","2024","15","19","7300","7307","10.1039/d4sc00745j","","x-ray","1.54184","CuKα","","0.0419","0.0404","","","0.1123","0.1142","","","","","","1.069","","","","has coordinates","292887","2024-07-05","14:50:19",""
"1571478","10.93381","0.00014","15.53317","0.00018","11.17806","0.00014","90","","92.8746","0.0012","90","","1896.06","0.04","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H16 O3 -","- C27 H16 O3 -","- C108 H64 O12 -","4","1","","Gaucherand, Arthur; Yen-Pon, Expédite; García-López, Diego; Naubron, Jean-Valère; Chentouf, Sara; Giorgi, Michel; Humbel, Stéphane; Jean, Marion; Rodriguez, Jean; Bonne, Damien","Padlocking dihydrofurannulation for the control of small degree of helicity built on a fused-tetracyclic core.","Chemical science","2024","15","19","7300","7307","10.1039/d4sc00745j","","x-ray","1.54184","CuKα","","0.0378","0.0347","","","0.0957","0.0992","","","","","","1.043","","","","has coordinates","292887","2024-07-05","14:50:19",""
"1571479","6.021","0.002","26.469","0.01","26.963","0.01","90","","90","","90","","4297","3","170","2","170","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H29 Cl Si -","- C24 H29 Cl Si -","- C192 H232 Cl8 Si8 -","8","1","","Song, Yulong; Fu, Chunling; Zheng, Jian; Ma, Shengming","Copper-catalyzed remote double functionalization of allenynes.","Chemical science","2024","15","20","7789","7794","10.1039/d4sc00034j","","","0.71073","MoKα","","0.0628","0.0408","","","0.0897","0.1023","","","","","","1.03","","","","has coordinates","292903","2024-07-05","15:01:31",""
"1571480","17.1404","0.0017","28.846","0.003","11.2819","0.001","90","","99.946","0.003","90","","5494.3","0.9","170","2","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H36 B N O5 -","- C29 H36 B N O5 -","- C232 H288 B8 N8 O40 -","8","2","","Song, Yulong; Fu, Chunling; Zheng, Jian; Ma, Shengming","Copper-catalyzed remote double functionalization of allenynes.","Chemical science","2024","15","20","7789","7794","10.1039/d4sc00034j","","","0.71073","MoKα","","0.1079","0.0809","","","0.2435","0.2754","","","","","","1.027","","","","has coordinates,has disorder","292903","2024-07-05","15:01:31",""
"1571481","6.3985","0.0003","11.144","0.0006","24.0417","0.001","90","","90","","90","","1714.29","0.14","125","","125","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 N2 O3 -","- C22 H16 N2 O3 -","- C88 H64 N8 O12 -","4","1","","Conboy, Aífe; Goodfellow, Alister S.; Kasten, Kevin; Dunne, Joanne; Cordes, David B.; Bühl, Michael; Smith, Andrew D.","De-epimerizing DyKAT of β-lactones generated by isothiourea-catalysed enantioselective [2 + 2] cycloaddition.","Chemical science","2024","15","23","8896","8904","10.1039/d4sc01410c","","x-ray","1.54184","CuKα","","0.0748","0.0539","","","0.1349","0.1545","","","","","","1.05","","","","has coordinates","292924","2024-07-05","15:07:48",""
"1571482","8.043","0.002","10.783","0.003","28.473","0.008","90","","90","","90","","2469.4","1.2","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 Cl4 N3 O4 -","- C23 H23 Cl4 N3 O4 -","- C92 H92 Cl16 N12 O16 -","4","1","","Conboy, Aífe; Goodfellow, Alister S.; Kasten, Kevin; Dunne, Joanne; Cordes, David B.; Bühl, Michael; Smith, Andrew D.","De-epimerizing DyKAT of β-lactones generated by isothiourea-catalysed enantioselective [2 + 2] cycloaddition.","Chemical science","2024","15","23","8896","8904","10.1039/d4sc01410c","","x-ray","0.71073","MoKα","","0.0533","0.0462","","","0.1321","0.139","","","","","","1.031","","","","has coordinates","292924","2024-07-05","15:07:48",""
"1571483","11.2574","0.0002","12.8335","0.0003","19.7938","0.0004","90","","90","","90","","2859.65","0.1","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H35 B S2 Si2 -","- C29 H35 B S2 Si2 -","- C116 H140 B4 S8 Si8 -","4","1","","Adachi, Yohei; Kurihara, Maho; Yamada, Kohei; Arai, Fuka; Hattori, Yuto; Yamana, Keita; Kawasaki, Riku; Ohshita, Joji","Insights into mechanistic interpretation of crystalline-state reddish phosphorescence of non-planar π-conjugated organoboron compounds.","Chemical science","2024","15","21","8127","8136","10.1039/d4sc01184h","","x-ray","0.71073","MoKα","","0.034","0.0294","","","0.0646","0.066","","","","","","1.055","","","","has coordinates","292937","2024-07-05","15:10:54",""
"1571484","9.0896","0.0004","11.2795","0.0006","15.8838","0.001","79.288","0.005","79.038","0.005","79.944","0.004","1554.47","0.15","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C35 H43 B O2 S2 -","- C35 H43 B O2 S2 -","- C70 H86 B2 O4 S4 -","2","1","","Adachi, Yohei; Kurihara, Maho; Yamada, Kohei; Arai, Fuka; Hattori, Yuto; Yamana, Keita; Kawasaki, Riku; Ohshita, Joji","Insights into mechanistic interpretation of crystalline-state reddish phosphorescence of non-planar π-conjugated organoboron compounds.","Chemical science","2024","15","21","8127","8136","10.1039/d4sc01184h","","x-ray","0.71073","MoKα","","0.0745","0.0464","","","0.0986","0.1076","","","","","","1.026","","","","has coordinates","292937","2024-07-05","15:10:55",""
"1571485","12.643","0.0014","13.5587","0.0015","15.527","0.0017","79.838","0.001","69.254","0.001","69.144","0.001","2322.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24.5 H11.5 B F11 S2 -","- C24.5 H11.5 B F11 S2 -","- C98 H46 B4 F44 S8 -","4","2","","Adachi, Yohei; Kurihara, Maho; Yamada, Kohei; Arai, Fuka; Hattori, Yuto; Yamana, Keita; Kawasaki, Riku; Ohshita, Joji","Insights into mechanistic interpretation of crystalline-state reddish phosphorescence of non-planar π-conjugated organoboron compounds.","Chemical science","2024","15","21","8127","8136","10.1039/d4sc01184h","","","0.71073","MoKa","","0.0597","0.0442","","","0.1027","0.1114","","","","","","1.059","","","","has coordinates","292937","2024-07-05","15:10:55",""
"1571486","16.9975","0.0018","15.1142","0.0016","8.3759","0.0009","90","","101.075","0.001","90","","2111.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H8 B F11 S2 -","- C23 H8 B F11 S2 -","- C92 H32 B4 F44 S8 -","4","1","","Adachi, Yohei; Kurihara, Maho; Yamada, Kohei; Arai, Fuka; Hattori, Yuto; Yamana, Keita; Kawasaki, Riku; Ohshita, Joji","Insights into mechanistic interpretation of crystalline-state reddish phosphorescence of non-planar π-conjugated organoboron compounds.","Chemical science","2024","15","21","8127","8136","10.1039/d4sc01184h","","","0.71073","MoKa","","0.0404","0.0339","","","0.0722","0.0758","","","","","","0.974","","","","has coordinates","292937","2024-07-05","15:10:55",""
"1571487","17.971","0.006","25.993","0.008","15.818","0.005","90","","110.657","0.005","90","","6914","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","aOHex_blue","","","- C38 H50 B O2 S2 -","- C38 H50 B O2 S2 -","- C304 H400 B8 O16 S16 -","8","2","","Adachi, Yohei; Kurihara, Maho; Yamada, Kohei; Arai, Fuka; Hattori, Yuto; Yamana, Keita; Kawasaki, Riku; Ohshita, Joji","Insights into mechanistic interpretation of crystalline-state reddish phosphorescence of non-planar π-conjugated organoboron compounds.","Chemical science","2024","15","21","8127","8136","10.1039/d4sc01184h","","","0.71073","MoKa","","0.18","0.0704","","","0.1327","0.1703","","","","","","0.986","","","","has coordinates","292937","2024-07-05","15:10:55",""
"1571488","8.297","0.0003","11.4089","0.0005","29.4395","0.0011","90","","90","","90","","2786.73","0.19","170.01","0.1","170.01","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C144 H128 O16 -","8","1","","Li, Hao-Ran; Ran, Yi-An; Zhu, Yu-Yi; Guo, Weisi; Ni, Shao-Fei; Wen, Li-Rong; Li, Ming; Zhang, Lin-Bao","Electrochemical stereoselective synthesis of polysubstituted 1,4-dicarbonyl <i>Z</i>-alkenes <i>via</i> three-component coupling of sulfoxonium ylides and alkynes with water.","Chemical science","2024","15","21","8156","8162","10.1039/d4sc01141d","","x-ray","0.71073","MoKα","","0.0509","0.041","","","0.1103","0.1158","","","","","","1.056","","","","has coordinates","292928","2024-07-05","15:08:32",""
"1571489","10.7659","0.0004","14.5214","0.0005","11.4358","0.0005","90","","110.658","0.005","90","","1672.87","0.12","297.27","0.1","297.27","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 O2 -","- C20 H20 O2 -","- C80 H80 O8 -","4","1","","Li, Hao-Ran; Ran, Yi-An; Zhu, Yu-Yi; Guo, Weisi; Ni, Shao-Fei; Wen, Li-Rong; Li, Ming; Zhang, Lin-Bao","Electrochemical stereoselective synthesis of polysubstituted 1,4-dicarbonyl <i>Z</i>-alkenes <i>via</i> three-component coupling of sulfoxonium ylides and alkynes with water.","Chemical science","2024","15","21","8156","8162","10.1039/d4sc01141d","","x-ray","0.71073","MoKα","","0.0644","0.0537","","","0.1632","0.1706","","","","","","1.09","","","","has coordinates","292928","2024-07-05","15:08:32",""
"1571490","7.7777","0.0003","8.0764","0.0003","25.7905","0.0009","90","","90","","90","","1620.05","0.1","173","2","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O -","- C22 H20 O -","- C88 H80 O4 -","4","1","","Ding, Bo; Xue, Qilin; Wei, Han; Chen, Jiangwei; Liu, Ze-Shui; Cheng, Hong-Gang; Cong, Hengjiang; Tang, Jianting; Zhou, Qianghui","Enantioconvergent synthesis of chiral fluorenols from racemic secondary alcohols <i>via</i> Pd(ii)/chiral norbornene cooperative catalysis.","Chemical science","2024","15","21","7975","7981","10.1039/d4sc01004c","","","1.54178","CuKα","","0.0352","0.035","","","0.0874","0.0881","","","","","","1.051","","","","has coordinates","292935","2024-07-05","15:09:47",""
"1571491","12.2029","0.0001","12.207","0.0001","20.231","0.0002","106.041","0.001","106.066","0.001","90.658","0.001","2770.52","0.05","296.88","0.15","296.88","0.15","","","","","","","","3","P 1","P 1","1","","","","- C17 H18 O2 -","- C17 H18 O2 -","- C136 H144 O16 -","8","8","","Ding, Bo; Xue, Qilin; Wei, Han; Chen, Jiangwei; Liu, Ze-Shui; Cheng, Hong-Gang; Cong, Hengjiang; Tang, Jianting; Zhou, Qianghui","Enantioconvergent synthesis of chiral fluorenols from racemic secondary alcohols <i>via</i> Pd(ii)/chiral norbornene cooperative catalysis.","Chemical science","2024","15","21","7975","7981","10.1039/d4sc01004c","","x-ray","1.54184","CuKα","","0.0329","0.0324","","","0.0885","0.089","","","","","","1.031","","","","has coordinates","292935","2024-07-05","15:09:48",""
"1571492","18.684","0.004","6.0072","0.0013","19.711","0.004","90","","102.008","0.004","90","","2163.9","0.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H19 N3 O -","- C29 H19 N3 O -","- C116 H76 N12 O4 -","4","1","","Zhou, Huayi; Li, Tengyue; Xie, Mingliang; Zhou, Yannan; Sun, Qikun; Zhang, Shi-Tong; Zhang, Yujian; Yang, Wenjun; Xue, Shanfeng","Improving electron transportation and operational lifetime of full color organic light emitting diodes through a ""weak hydrogen bonding cage"" structure.","Chemical science","2024","15","21","8106","8111","10.1039/d4sc00496e","","","0.71073","MoKα","","0.1317","0.0583","","","0.1409","0.1687","","","","","","0.783","","","","has coordinates","292934","2024-07-05","15:09:39",""
"1571493","10.056","0.0006","21.3696","0.0009","12.5648","0.0006","90","","100.161","0.002","90","","2657.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>mer</i>-Bis(quinoline-2-carboxaldehyde 4-ethylthiosemicarbazonato)nickel(II) methanol 0.33-solvate 0.67-hydrate","","- C26.33 H28.65 N8 Ni O S2 -","- C26.328 H28.656 N8 Ni O S2 -","- C105.312 H114.624 N32 Ni4 O4 S8 -","4","1","BH4083","Awang Adam, Raudhatul Nadhirah; Keasberry, Natasha Ann; Sheikh Abdul Hamid, Malai Haniti","mer-Bis(quinoline-2-carboxaldehyde 4-ethylthiosemicarbazonato)nickel(II) methanol 0.33-solvate 0.67-hydrate","IUCrData","2024","9","4","","","10.1107/S2414314624003390","","","0.71073","MoKα","","0.0385","0.0355","","","0.0808","0.0825","","","","","","1.081","","","","has coordinates,has disorder","291387","2024-04-27","02:08:25",""
"1571494","7.08","0.0003","10.6304","0.0003","11.065","0.0003","89.715","0.002","79.711","0.003","89.598","0.002","819.37","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","4-EtPyBdanI","1-Ethyl-4-(1<i>H</i>-naphtho[1,8-<i>de</i>][1,3,2]diazaborinin-2(3<i>H</i>)-yl)pyridin-1-ium iodide","","- C17 H17 B I N3 -","- C17 H17 B I N3 -","- C34 H34 B2 I2 N6 -","2","1","BX4026","Hashimoto, Shu; Okuno, Tsunehisa","4-(1H-2,3-Dihydronaphtho[1,8-de][1,3,2]diazaborinin-2-yl)-1-ethylpyridin-1-ium iodide","IUCrData","2024","9","4","","","10.1107/S2414314624003626","","x-ray","0.71073","MoKα","","0.0226","0.02","","","0.0513","0.0521","","","","","","1.074","","","","has coordinates","291388","2024-04-27","02:08:40",""
"1571495","25.8993","0.0007","6.6206","0.0002","13.4938","0.0003","90","","96.425","0.002","90","","2299.23","0.11","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","(<i>S</i>~C~,<i>R</i>~S~)-Bromido(<i>N</i>-{4-methyl-1-[(4-methylphenyl)sulfanyl]pentan-2-yl}-<i>N'</i>-(pyridin-2-yl)imidazol-2-ylidene)palladium(II) bromide","","- C21 H25 Br2 N3 Pd S -","- C21 H25 Br2 N3 Pd S -","- C84 H100 Br8 N12 Pd4 S4 -","4","1","ZL4070","Zeng, Xianggui; Xu, Yanze; Guo, Shuling; Xiao, Yongmei; Yuan, Jinwei; Yang, Liangru","(S C,R S)-Bromido(N-{4-methyl-1-[(4-methylphenyl)sulfanyl]pentan-2-yl}-N′-(pyridin-2-yl)imidazol-2-ylidene)palladium(II) bromide","IUCrData","2024","9","4","","","10.1107/S2414314624003602","","x-ray","1.54184","CuKα","","0.0336","0.0299","","","0.0698","0.0723","","","","","","1.036","","","","has coordinates","291389","2024-04-27","02:08:53",""
"1571496","8.8428","0.0005","9.2779","0.0006","9.9343","0.0004","79.126","0.004","82.732","0.004","67.279","0.006","736.99","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Poly[3-methylpyridinium [(μ~2~-dihydrogen phosphito)bis(μ~3~-hydrogen phosphito)dizinc]]","","- C6 H12 N O9 P3 Zn2 -","- C6 H12 N O9 P3 Zn2 -","- C12 H24 N2 O18 P6 Zn4 -","2","1","TK4104","Love-Jennings, Jago G.; McKay, Aidan P.; Cordes, David B.; Harrison, William T. A.","Poly[3-methylpyridinium [(μ2-dihydrogen phosphito)bis(μ3-hydrogen phosphito)dizinc]]","IUCrData","2024","9","4","","","10.1107/S2414314624003456","","","0.71073","MoKα","","0.0735","0.0501","","","0.1254","0.1342","","","","","","1.018","","","","has coordinates","291390","2024-04-27","02:09:06",""
"1571497","25.6112","0.0006","9.7565","0.0002","10.3664","0.0002","90","","95.169","0.002","90","","2579.78","0.09","100.01","0.1","100.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Germacrone","(3<i>E</i>,7<i>E</i>)-3,7-Dimethyl-10-propan-2-ylidenecyclodeca-3,7-dien-1-one","","- C15 H22 O -","- C15 H22 O -","- C120 H176 O8 -","8","1","WM4211","Meurer, Florian; Bodensteiner, Michael; Kolev, Iliyan","Redetermination of germacrone type II based on single-crystal X-ray data","IUCrData","2024","9","4","","","10.1107/S2414314624003468","","","1.54184","CuKα","","0.0344","0.0289","","","0.0733","0.0768","","","","","","1.0708","","","","has coordinates","291391","2024-04-27","02:09:22",""
"1571498","15.862","0.001","6.0503","0.0004","19.064","0.0012","90","","105.287","0.003","90","","1764.8","0.2","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2<i>E</i>,2'<i>E</i>)-1,1'-([1,1'-Biphenyl]-4,4'-diyl)bis[3-(dimethylamino)prop-2-en-1-one]","","- C22 H24 N2 O2 -","- C22 H24 N2 O2 -","- C88 H96 N8 O8 -","4","1","BX4027","Minagawa, Tomohiro; Sadakiyo, Masaaki","(2E,2′E)-1,1′-([1,1′-Biphenyl]-4,4′-diyl)bis[3-(dimethylamino)prop-2-en-1-one]","IUCrData","2024","9","4","","","10.1107/S2414314624003584","","","0.71069","MoKα","","0.0909","0.0632","","","0.1308","0.154","","","","","","1.076","","","","has coordinates","291392","2024-04-27","02:09:36",""
"1571499","6.7497","0.0009","52.478","0.007","18.832","0.003","90","","90","","90","","6670.5","1.6","130","2","130","2","","","","","","","","5","F d d 2","F 2 -2d","43","23007z","13-Nitrobenzo[<i>a</i>][1,4]benzothiazino[3,2-<i>c</i>]phenoxazine","","- C22 H11 N3 O3 S -","- C22 H11 N3 O3 S -","- C352 H176 N48 O48 S16 -","16","1","NX4001","Bader, Mamoun M.; Fiester, Cameron; Pham, Phuong-Truc T.; Bradely, Amy; Nazzal, Amjad","13-Nitrobenzo[a][1,4]benzothiazino[3,2-c]phenoxazine","IUCrData","2024","9","4","","","10.1107/S2414314624002992","","","0.71073","MoKα","","0.0366","0.0327","","","0.0841","0.087","","","","","","1.029","","","","has coordinates","291393","2024-04-27","02:09:55",""
"1571500","6.746","0.002","23.041","0.007","10.939","0.003","90","","97.616","0.005","90","","1685.3","0.9","93","2","93.35","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-(1<i>H</i>-2,3-Dihydronaphtho[1,8-<i>de</i>][1,3,2]diazaborinin-2-yl)-1-ethylpyridin-1-ium iodide monohydrate","","- C17 H19 B I N3 O -","- C17 H19 B I N3 O -","- C68 H76 B4 I4 N12 O4 -","4","1","HB4467","Hashimoto, Shu; Miki, Shintaro; Okuno, Tsunehisa","4-(1H-2,3-Dihydronaphtho[1,8-de][1,3,2]diazaborinin-2-yl)-1-ethylpyridin-1-ium iodide monohydrate","IUCrData","2024","9","4","","","10.1107/S2414314624003699","","","0.71075","MoKα","","0.0318","0.0264","","","0.0529","0.0555","","","","","","1.044","","","","has coordinates","291395","2024-04-27","02:10:09",""
"1571501","8.3455","0.0003","19.2331","0.0006","11.0134","0.0003","90","","102.491","0.003","90","","1725.92","0.1","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Bis[2,3-bis(thiophen-2-yl)pyrido[3,4-<i>b</i>]pyrazine]silver(I) perchlorate methanol disolvate","","- C32 H26 Ag Cl N6 O6 S4 -","- C32 H26 Ag Cl N6 O6 S4 -","- C64 H52 Ag2 Cl2 N12 O12 S8 -","2","1","ZL4071","Crundwell, Guy; Christiana, Rachel A.; Ouellette, Paul; Giorgetti, Andrew F.","Bis[2,3-bis(thiophen-2-yl)pyrido[3,4-b]pyrazine]silver(I) perchlorate methanol disolvate","IUCrData","2024","9","4","","","10.1107/S2414314624003444","","x-ray","0.71073","MoKα","","0.0739","0.0408","","","0.0821","0.0951","","","","","","1.014","","","","has coordinates,has disorder","291396","2024-04-27","02:10:23",""
"1571502","4.00944","","4.00944","","4.00944","","90","","90","","90","","64.454","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Ba O3 Ti -","- Ba O3 Ti -","- Ba O3 Ti -","1","0.0208333","","Namade, Lahu D.; Patil, Amitkumar R.; Jadhav, Sonali R.; Dongale, Tukaram D.; Rajpure, Keshav Y.","Exploring bipolar resistive switching behavior of sprayed BaTiO3 thin films for nonvolatile memory application","Colloids and Surfaces A: Physicochemical and Engineering Aspects","2024","692","","133902","","10.1016/j.colsurfa.2024.133902","","","","","","","","","","","","","","","","","","","","","has coordinates","291398","2024-04-27","11:18:49",""
"1571503","5.7502","0.0002","5.7502","0.0002","10.2521","0.0007","90","","90","","90","","338.98","0.03","293","2","293","2","","","","","","","","5","P -4 m 2","P -4 -2","115","","","","- Ba3 Cl F14 K Zr2 -","- Ba3 Cl F14 K Zr2 -","- Ba3 Cl F14 K Zr2 -","1","0.125","","Yan, Mei; Hu, Chun-Li; Tang, Ru-Ling; Yao, Wen-Dong; Liu, Wenlong; Guo, Sheng-Ping","KBa<sub>3</sub>M<sub>2</sub>F<sub>14</sub>Cl (M = Zr, Hf): novel short-wavelength mixed metal halides with the largest second-harmonic generation responses contributed by mixed functional moieties.","Chemical science","2024","15","22","8500","8505","10.1039/d4sc01259c","","","0.71073","MoKα","","0.0103","0.0102","","","0.0236","0.0236","","","","","","1.119","","","","has coordinates","292872","2024-07-05","14:09:36",""
"1571504","5.7439","0.0003","5.7439","0.0003","10.2541","0.0007","90","","90","","90","","338.31","0.03","293","2","293","2","","","","","","","","5","P -4 m 2","P -4 -2","115","","KBa3Hf2F14Cl","","- Ba3 Cl F14 Hf2 K -","- Ba3 Cl F14 Hf2 K -","- Ba3 Cl F14 Hf2 K -","1","0.125","","Yan, Mei; Hu, Chun-Li; Tang, Ru-Ling; Yao, Wen-Dong; Liu, Wenlong; Guo, Sheng-Ping","KBa<sub>3</sub>M<sub>2</sub>F<sub>14</sub>Cl (M = Zr, Hf): novel short-wavelength mixed metal halides with the largest second-harmonic generation responses contributed by mixed functional moieties.","Chemical science","2024","15","22","8500","8505","10.1039/d4sc01259c","","","0.71073","MoKα","","0.0139","0.0134","","","0.0292","0.0293","","","","","","1.091","","","","has coordinates","292872","2024-07-05","14:09:38",""
"1571505","7.3227","0.001","7.4727","0.0012","11.1037","0.0016","75.512","0.013","83.357","0.011","85.846","0.013","583.73","0.15","295.68","0.1","295.68","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C6 H7 F7 N2 O Sb2 -","- C6 H7 F7 N2 O Sb2 -","- C12 H14 F14 N4 O2 Sb4 -","2","1","","Wu, Jia-Hang; Hu, Chun-Li; Li, Ya-Feng; Mao, Jiang-Gao; Kong, Fang","[(C<sub>5</sub>H<sub>6</sub>N<sub>2</sub>)<sub>2</sub>H](Sb<sub>4</sub>F<sub>13</sub>): a polyfluoroantimonite with a strong second harmonic generation effect.","Chemical science","2024","15","21","8071","8079","10.1039/d4sc01716a","","x-ray","0.71073","MoKα","","0.0434","0.0303","","","0.0536","0.062","","","","","","0.995","","","","has coordinates","292933","2024-07-05","15:09:33",""
"1571506","7.2222","0.0003","8.1293","0.0004","10.3779","0.0004","101.002","0.004","105.247","0.004","106.829","0.004","538.65","0.05","250","0.1","250","0.1","","","","","","","","5","P 1","P 1","1","","","","- C10 H13 F13 N4 Sb4 -","- C10 H13 F13 N4 Sb4 -","- C10 H13 F13 N4 Sb4 -","1","1","","Wu, Jia-Hang; Hu, Chun-Li; Li, Ya-Feng; Mao, Jiang-Gao; Kong, Fang","[(C<sub>5</sub>H<sub>6</sub>N<sub>2</sub>)<sub>2</sub>H](Sb<sub>4</sub>F<sub>13</sub>): a polyfluoroantimonite with a strong second harmonic generation effect.","Chemical science","2024","15","21","8071","8079","10.1039/d4sc01716a","","x-ray","0.71073","MoKα","","0.0261","0.0244","","","0.0486","0.0504","","","","","","1.046","","","","has coordinates","292933","2024-07-05","15:09:33",""
"1571507","11.5951","0.0001","19.7465","0.0001","24.9374","0.0002","90","","96.33","0.001","90","","5674.92","0.07","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55.5 H90 B3 Mg N3 O6 -","- C55.5 H90 B3 Mg N3 O6 -","- C222 H360 B12 Mg4 N12 O24 -","4","1","","Shere, Henry T. W.; Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","The borylamino-diborata-allyl anion.","Chemical science","2024","15","21","7999","8007","10.1039/d4sc01953a","","","1.54184","CuKα","","0.043","0.0382","","","0.0991","0.1033","","","","","","1.031","","","","has coordinates,has disorder","292931","2024-07-05","15:09:13",""
"1571508","10.6784","0.0002","12.5289","0.0002","22.541","0.0003","98.706","0.001","91.35","0.001","99.801","0.001","2933.71","0.08","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C60 H94 B3 Mg N3 O6 -","- C60 H94 B3 Mg N3 O6 -","- C120 H188 B6 Mg2 N6 O12 -","2","1","","Shere, Henry T. W.; Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","The borylamino-diborata-allyl anion.","Chemical science","2024","15","21","7999","8007","10.1039/d4sc01953a","","x-ray","1.54184","CuKα","","0.0473","0.0448","","","0.1207","0.1234","","","","","","1.046","","","","has coordinates","292931","2024-07-05","15:09:13",""
"1571509","11.6016","0.0004","11.9817","0.0004","21.7312","0.0006","93.165","0.003","90.606","0.002","114.468","0.003","2743.44","0.17","149.9","0.6","149.9","0.6","","","","","","","","6","P -1","-P 1","2","","","","- C53 H89 B3 Mg N3 O6 -","- C53 H89 B3 Mg N3 O6 -","- C106 H178 B6 Mg2 N6 O12 -","2","1","","Shere, Henry T. W.; Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","The borylamino-diborata-allyl anion.","Chemical science","2024","15","21","7999","8007","10.1039/d4sc01953a","","x-ray","0.71073","MoKα","","0.0791","0.051","","","0.1142","0.1307","","","","","","1.019","","","","has coordinates,has disorder","292931","2024-07-05","15:09:13",""
"1571510","11.2516","0.0002","13.3172","0.0003","20.8818","0.0005","83.912","0.002","80.949","0.002","77.803","0.002","3011.61","0.12","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C59 H94 B3 Ca N3 O6 -","- C59 H94 B3 Ca N3 O6 -","- C118 H188 B6 Ca2 N6 O12 -","2","1","","Shere, Henry T. W.; Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","The borylamino-diborata-allyl anion.","Chemical science","2024","15","21","7999","8007","10.1039/d4sc01953a","","x-ray","1.54184","CuKα","","0.0475","0.0402","","","0.1008","0.1075","","","","","","1.024","","","","has coordinates,has disorder","292931","2024-07-05","15:09:13",""
"1571511","9.4544","0.0005","10.9663","0.0007","21.7055","0.0013","90","","102.485","0.002","90","","2197.2","0.2","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","20094z","","","- C26 H26 O5 Si -","- C26 H26 O5 Si -","- C104 H104 O20 Si4 -","4","1","","Chinta, Bhavani Shankar; Sneddon, Dorian S.; Hoye, Thomas R.","Cascade reactions of HDDA-benzynes with tethered cyclohexadienones: strain-driven events originating from <i>ortho</i>-annulated benzocyclobutenes.","Chemical science","2024","15","21","8181","8189","10.1039/d4sc00571f","","","0.71073","MoKα","","0.0565","0.0422","","","0.107","0.1173","","","","","","1.022","","","","has coordinates","292929","2024-07-05","15:08:44",""
"1571512","9.514","0.002","12.361","0.003","13.998","0.004","76.32","0.012","77.845","0.008","79.645","0.009","1548.9","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","21152z","","","- C32.5 H32.5 Cl1.5 O9 Si -","- C32.5 H32.5 Cl1.5 O9 Si -","- C65 H65 Cl3 O18 Si2 -","2","1","","Chinta, Bhavani Shankar; Sneddon, Dorian S.; Hoye, Thomas R.","Cascade reactions of HDDA-benzynes with tethered cyclohexadienones: strain-driven events originating from <i>ortho</i>-annulated benzocyclobutenes.","Chemical science","2024","15","21","8181","8189","10.1039/d4sc00571f","","","0.71073","MoKα","","0.1567","0.1068","","","0.2893","0.3364","","","","","","1.046","","","","has coordinates,has disorder","292929","2024-07-05","15:08:44",""
"1571513","12.5341","0.0006","19.6037","0.0012","13.2334","0.0006","90","","91.919","0.002","90","","3249.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","21159z","","","- C32 H42 N2 O9 Os Si -","- C32 H42 N2 O9 Os Si -","- C128 H168 N8 O36 Os4 Si4 -","4","1","","Chinta, Bhavani Shankar; Sneddon, Dorian S.; Hoye, Thomas R.","Cascade reactions of HDDA-benzynes with tethered cyclohexadienones: strain-driven events originating from <i>ortho</i>-annulated benzocyclobutenes.","Chemical science","2024","15","21","8181","8189","10.1039/d4sc00571f","","","0.71073","MoKα","","0.0477","0.0289","","","0.0565","0.0626","","","","","","1.016","","","","has coordinates","292929","2024-07-05","15:08:44",""
"1571514","12.6362","0.0007","18.9096","0.0013","25.048","0.0017","71.929","0.002","86.176","0.002","73.612","0.002","5457.3","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","the cyclopropane","","","- C247 H276 O48 Si8 -","- C247 H276 O48 Si8 -","- C247 H276 O48 Si8 -","1","0.5","","Chinta, Bhavani Shankar; Sneddon, Dorian S.; Hoye, Thomas R.","Cascade reactions of HDDA-benzynes with tethered cyclohexadienones: strain-driven events originating from <i>ortho</i>-annulated benzocyclobutenes.","Chemical science","2024","15","21","8181","8189","10.1039/d4sc00571f","","","0.71073","MoKα","","0.0742","0.0456","","","0.1033","0.1179","","","","","","1.019","","","","has coordinates,has disorder","292929","2024-07-05","15:08:44",""
"1571515","11.7365","0.0005","3.8149","0.0002","35.726","0.0015","90","","97.669","0.002","90","","1585.27","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","24047z","Benzo[<i>a</i>][1,4]benzothiazino[3,2-<i>c</i>]phenothiazine","","- C22 H12 N2 S2 -","- C22 H12 N2 S2 -","- C88 H48 N8 S8 -","4","1","OI4001","Bader, Mamoun M.; Pham, Phuong-Truc T.; Abu Khodair, Salma S.; Saleh, Maysoon I.","Benzo[a][1,4]benzothiazino[3,2-c]phenothiazine","IUCrData","2024","9","4","","","10.1107/S2414314624003572","","","0.71073","MoKα","","0.0564","0.0466","","","0.1111","0.1163","","","","","","1.059","","","","has coordinates","291432","2024-05-01","01:55:50",""
"1571516","5.924","0.0003","18.3064","0.0013","18.6204","0.0012","106.425","0.006","98.852","0.005","92.567","0.005","1905.5","0.2","240","0.1","240","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C39 H27 N3 O11 S4 Zn2 -","- C39 H27 N3 O11 S4 Zn2 -","- C78 H54 N6 O22 S8 Zn4 -","2","1","","Sun, Huili; Zhang, Qiangsheng; Meng, Liuli; Wang, Zhonghao; Fan, Yanan; Mayor, Marcel; Pan, Mei; Su, Cheng-Yong","Thermal control over phosphorescence or thermally activated delayed fluorescence in a metal-organic framework.","Chemical science","2024","15","23","8905","8912","10.1039/d4sc02030h","","x-ray","1.54184","CuKα","","0.0657","0.0536","","","0.1397","0.1488","","","","","","1.053","","","","has coordinates","292921","2024-07-05","15:07:26",""
"1571517","21.3855","0.0001","21.3855","0.0001","27.7201","0.0003","90","","90","","90","","12677.5","0.16","298","","298","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","SO2@Al-ettb","- C29 H14 Al3 O26.28 S5.14 -","- C29 H14 Al3 O26.28 S5.14 -","- C232 H112 Al24 O210.24 S41.12 -","8","0.25","","Yu, Liang; He, Meng; Yao, Jinze; Xia, Qibin; Yang, Sihai; Li, Jing; Wang, Hao","A robust aluminum-octacarboxylate framework with <b>scu</b> topology for selective capture of sulfur dioxide.","Chemical science","2024","15","22","8530","8535","10.1039/d4sc01877j","powder diffraction","","0.82439","synchrotron","","0.56943","","","","","","","","10.029","","","","","","","has coordinates","292866","2024-07-05","14:08:01",""
"1571518","21.5005","0.0006","21.5005","0.0006","28.4908","0.0011","90","","90","","90","","13170.5","0.7","150","","150","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C29 H26 Al3 O16 -","- C29 H26 Al3 O16 -","- C232 H208 Al24 O128 -","8","0.25","","Yu, Liang; He, Meng; Yao, Jinze; Xia, Qibin; Yang, Sihai; Li, Jing; Wang, Hao","A robust aluminum-octacarboxylate framework with <b>scu</b> topology for selective capture of sulfur dioxide.","Chemical science","2024","15","22","8530","8535","10.1039/d4sc01877j","","","1.34139","GaKα","","0.0857","0.079","","","0.236","0.2429","","","","","","1.107","","","","has coordinates,has disorder","292866","2024-07-05","14:08:02",""
"1571519","13.4572","0.0006","9.9639","0.0005","12.5603","0.0006","90","","102.524","0.002","90","","1644.09","0.14","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","Sarah120723","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C80 H76 N4 O12 -","4","2","","Scrivener, Sarah G.; Wang, Yi-Ming","A C-H functionalization approach to diverse nitrogenous scaffolds through conjugate addition of catalytic allyliron nucleophiles.","Chemical science","2024","15","23","8850","8857","10.1039/d4sc00655k","","","1.54184","CuKα","","0.0704","0.0695","","","0.1747","0.1759","","","","","","1.045","","","","has coordinates","292919","2024-07-05","15:06:43",""
"1571520","13.1278","0.0011","13.7431","0.0011","14.5832","0.0013","86.847","0.003","75.173","0.003","69.277","0.003","2377.1","0.4","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H38 F12 N8 O8 P2 Ru -","- C40 H38 F12 N8 O8 P2 Ru -","- C80 H76 F24 N16 O16 P4 Ru2 -","2","1","","Han, Wang-Kang; Li, Jiayu; Zhu, Ruo-Meng; Wei, Min; Xia, Shu-Kun; Fu, Jia-Xing; Zhang, Jinfang; Pang, Huan; Li, Ming-De; Gu, Zhi-Guo","Photosensitizing metal covalent organic framework with fast charge transfer dynamics for efficient CO<sub>2</sub> photoreduction.","Chemical science","2024","15","22","8422","8429","10.1039/d4sc01896f","","x-ray","0.71073","MoKα","","0.0871","0.0665","","","0.1814","0.1998","","","","","","1.024","","","","has coordinates,has disorder","292871","2024-07-05","14:09:20",""
"1571521","17.7264","0.0014","19.5316","0.0015","19.7763","0.0013","117.328","0.005","103.867","0.006","98.797","0.006","5624.4","0.9","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C206 H150 Cl4 Cu22 F24 P8 Se16.01 -","- C206 H150 Cl4 Cu22 F24 P8 Se16 -","- C206 H150 Cl4 Cu22 F24 P8 Se16 -","1","0.5","","Zhou, Huimin; Yang, Tao; Deng, Huijuan; Yun, Yapei; Jin, Shan; Xiong, Lin; Zhu, Manzhou","An insight, at the atomic level, into the structure and catalytic properties of the isomers of the Cu<sub>22</sub> cluster.","Nanoscale","2024","16","21","10318","10324","10.1039/d4nr00973h","","","1.54186","CuKα","","0.0331","0.0276","","","0.0693","0.0712","","","","","","1.031","","","","has coordinates","293182","2024-07-05","17:31:20",""
"1571522","20.2077","0.0006","29.3716","0.0009","36.4328","0.0012","90","","90","","90","","21624.1","1.2","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C204 H146 Cu22.06 F24 P8 Se16 -","- C204 H146 Cu22 F24 P8 Se16 -","- C816 H584 Cu88 F96 P32 Se64 -","4","1","","Zhou, Huimin; Yang, Tao; Deng, Huijuan; Yun, Yapei; Jin, Shan; Xiong, Lin; Zhu, Manzhou","An insight, at the atomic level, into the structure and catalytic properties of the isomers of the Cu<sub>22</sub> cluster.","Nanoscale","2024","16","21","10318","10324","10.1039/d4nr00973h","","","1.54186","CuKα","","0.0757","0.0677","","","0.1697","0.1737","","","","","","1.067","","","","has coordinates,has disorder","293182","2024-07-05","17:31:21",""
"1571523","14.9504","0.0003","16.4998","0.0003","19.5731","0.0003","90","","90","","90","","4828.27","0.15","83","2","83","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C54 H121 N8 O49 V18 -","- C54 H121 N8 O49 V18 -","- C108 H242 N16 O98 V36 -","2","0.5","","Yoshida, Isshin; Kikukawa, Yuji; Mitsuhashi, Ryoji; Hayashi, Yoshihito","Reactivity control of nitrate-incorporating octadecavanadates by changing the oxidation state and metal substitution.","Nanoscale","2024","16","22","10584","10589","10.1039/d4nr01243g","","","0.71073","MoKα","","0.0424","0.0362","","","0.0977","0.102","","","","","","1.053","","","","has coordinates,has disorder","293178","2024-07-05","17:28:49",""
"1571524","12.1612","0.0002","10.2907","0.0002","36.8655","0.0007","90","","96.834","0.002","90","","4580.84","0.15","149.98","0.14","149.98","0.14","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H34 Br2 N2 O4 -","- C48 H34 Br2 N2 O4 -","- C192 H136 Br8 N8 O16 -","4","1","","Lin, Zenggang; Zhang, Peng; Song, Fuqiang; Yang, Yuzhu; Miao, Xuan; Liu, Weisheng","Employing racemization strategies to simultaneously enhance the quantum yield, lifetime, and water stability of room-temperature phosphorescent materials.","Chemical science","2024","15","21","8052","8061","10.1039/d4sc01719f","","x-ray","1.54184","CuKα","","0.0704","0.0628","","","0.1755","0.1824","","","","","","1.045","","","","has coordinates","292930","2024-07-05","15:08:58",""
"1571525","36.1548","0.0008","10.7003","0.0002","12.0413","0.0002","90","","97.414","0.002","90","","4619.44","0.16","150","0.1","150","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C51 H42 Br2 N2 O7 -","- C51 H46 Br2 N2 O7 -","- C204 H184 Br8 N8 O28 -","4","1","","Lin, Zenggang; Zhang, Peng; Song, Fuqiang; Yang, Yuzhu; Miao, Xuan; Liu, Weisheng","Employing racemization strategies to simultaneously enhance the quantum yield, lifetime, and water stability of room-temperature phosphorescent materials.","Chemical science","2024","15","21","8052","8061","10.1039/d4sc01719f","","x-ray","1.54184","CuKα","","0.0548","0.0478","","","0.1336","0.1403","","","","","","1.129","","","","has coordinates,has disorder","292930","2024-07-05","15:08:59",""
"1571526","36.5216","0.0006","10.8114","0.0002","12.1409","0.0002","90","","97.5803","0.0016","90","","4751.94","0.14","297.74","0.18","297.74","0.18","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C48 H34 Br2 N2 O4 -","- C48 H34 Br2 N2 O4 -","- C192 H136 Br8 N8 O16 -","4","1","","Lin, Zenggang; Zhang, Peng; Song, Fuqiang; Yang, Yuzhu; Miao, Xuan; Liu, Weisheng","Employing racemization strategies to simultaneously enhance the quantum yield, lifetime, and water stability of room-temperature phosphorescent materials.","Chemical science","2024","15","21","8052","8061","10.1039/d4sc01719f","","x-ray","1.54184","CuKα","","0.0413","0.0336","","","0.0867","0.0916","","","","","","1.051","","","","has coordinates,has disorder","292930","2024-07-05","15:08:59",""
"1571527","10.42669","0.00014","12.40814","0.00015","18.05325","0.00018","79.3587","0.0009","81.0124","0.001","87.8419","0.001","2267.21","0.05","150","0.1","150","0.1","","","","","","","","5","P 1","P 1","1","","","","- C96 H70 Br4 N4 O10 -","- C96 H72 Br4 N4 O10 -","- C96 H72 Br4 N4 O10 -","1","1","","Lin, Zenggang; Zhang, Peng; Song, Fuqiang; Yang, Yuzhu; Miao, Xuan; Liu, Weisheng","Employing racemization strategies to simultaneously enhance the quantum yield, lifetime, and water stability of room-temperature phosphorescent materials.","Chemical science","2024","15","21","8052","8061","10.1039/d4sc01719f","","x-ray","1.54184","CuKα","","0.0559","0.0536","","","0.1481","0.1505","","","","","","1.045","","","","has coordinates","292930","2024-07-05","15:08:59",""
"1571528","7.7396","0.0004","26.8784","0.0014","12.574","0.0006","90","","105.563","0.003","90","","2519.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H27 Br N2 O2 -","- C31 H27 Br N2 O2 -","- C124 H108 Br4 N8 O8 -","4","1","","Grzelak, Magdalena; Kumar, Dharmendra; Kochman, Michał Andrzej; Morawiak, Maja; Wiosna-Sałyga, Gabriela; Kubas, Adam; Data, Przemysław; Lindner, Marcin","An unprecedented roll-off ratio in high-performing red TADF OLED emitters featuring 2,3-indole-annulated naphthalene imide and auxiliary donors.","Chemical science","2024","15","22","8404","8413","10.1039/d4sc01391c","","","1.54178","CuKα","","0.0944","0.0757","","","0.2273","0.2416","","","","","","1.096","","","","has coordinates","292867","2024-07-05","14:08:17",""
"1571529","16.6094","0.0006","9.5173","0.0003","27.5112","0.0009","90","","104.757","0.002","90","","4205.4","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H49 N3 O4 -","- C50 H49 N3 O4 -","- C200 H196 N12 O16 -","4","1","","Grzelak, Magdalena; Kumar, Dharmendra; Kochman, Michał Andrzej; Morawiak, Maja; Wiosna-Sałyga, Gabriela; Kubas, Adam; Data, Przemysław; Lindner, Marcin","An unprecedented roll-off ratio in high-performing red TADF OLED emitters featuring 2,3-indole-annulated naphthalene imide and auxiliary donors.","Chemical science","2024","15","22","8404","8413","10.1039/d4sc01391c","","","1.54178","CuKα","","0.1167","0.0698","","","0.1741","0.2002","","","","","","1.055","","","","has coordinates","292867","2024-07-05","14:08:17",""
"1571530","23.9323","0.0004","11.4133","0.00017","13.3857","0.0002","90","","97.5023","0.0015","90","","3624.96","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","JW 156","MMG 156","","- C44 H37 Cl2 N3 O3 -","- C44 H37 Cl2 N3 O3 -","- C176 H148 Cl8 N12 O12 -","4","1","","Grzelak, Magdalena; Kumar, Dharmendra; Kochman, Michał Andrzej; Morawiak, Maja; Wiosna-Sałyga, Gabriela; Kubas, Adam; Data, Przemysław; Lindner, Marcin","An unprecedented roll-off ratio in high-performing red TADF OLED emitters featuring 2,3-indole-annulated naphthalene imide and auxiliary donors.","Chemical science","2024","15","22","8404","8413","10.1039/d4sc01391c","","x-ray","1.54184","CuKα","","0.0547","0.0423","","","0.1097","0.1179","","","","","","1.032","","","","has coordinates,has disorder","292867","2024-07-05","14:08:17",""
"1571531","11.2686","0.0003","12.7274","0.0003","13.7006","0.0003","113.329","0.001","94.216","0.001","104.544","0.001","1713.09","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H42 N3 O4 -","- C42 H42 N3 O4 -","- C84 H84 N6 O8 -","2","1","","Grzelak, Magdalena; Kumar, Dharmendra; Kochman, Michał Andrzej; Morawiak, Maja; Wiosna-Sałyga, Gabriela; Kubas, Adam; Data, Przemysław; Lindner, Marcin","An unprecedented roll-off ratio in high-performing red TADF OLED emitters featuring 2,3-indole-annulated naphthalene imide and auxiliary donors.","Chemical science","2024","15","22","8404","8413","10.1039/d4sc01391c","","","1.54178","CuKα","","0.1371","0.0679","","","0.1836","0.2253","","","","","","0.997","","","","has coordinates","292867","2024-07-05","14:08:17",""
"1571532","11.4231","0.0004","13.6228","0.0004","44.313","0.0018","90","","90","","90","","6895.8","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C45 H36 N2 O2 -","- C45 H36 N2 O2 -","- C360 H288 N16 O16 -","8","1","","Grzelak, Magdalena; Kumar, Dharmendra; Kochman, Michał Andrzej; Morawiak, Maja; Wiosna-Sałyga, Gabriela; Kubas, Adam; Data, Przemysław; Lindner, Marcin","An unprecedented roll-off ratio in high-performing red TADF OLED emitters featuring 2,3-indole-annulated naphthalene imide and auxiliary donors.","Chemical science","2024","15","22","8404","8413","10.1039/d4sc01391c","","","1.54178","CuKα","","0.2581","0.0731","","","0.141","0.2068","","","","","","0.975","","","","has coordinates","292867","2024-07-05","14:08:17",""
"1571533","15.256","0.012","8.189","0.006","22.995","0.017","90","","93.293","0.008","90","","2868","4","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 N O P -","- C38 H26 N O P -","- C152 H104 N4 O4 P4 -","4","1","","Zhong, Daokun; Liu, Siqi; Yue, Ling; Feng, Zhao; Wang, Hongyan; Yang, Peng; Su, Bochao; Yang, Xiaolong; Sun, Yuanhui; Zhou, Guijiang","Achieving pure room temperature phosphorescence (RTP) in phenoselenazine-based organic emitters through synergism among heavy atom effect, enhanced n → π* transitions and magnified electron coupling by the A-D-A molecular configuration.","Chemical science","2024","15","24","9112","9119","10.1039/d4sc01200c","","","","","","0.132","","","","","","","","","","","","","","","has coordinates","292849","2024-07-05","13:54:17",""
"1571534","9.0789","0.0005","11.2974","0.0008","12.713","0.0008","110.2","0.006","94.41","0.005","92.531","0.005","1216.63","0.14","110","0.14","110","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 Mn2 N O11 -","- C24 H15 Mn2 N O11 -","- C48 H30 Mn4 N2 O22 -","2","1","","Eastwood, Jonathan B.; Burden, Thomas J.; Hammarback, L. Anders; Horbaczewskyj, Chris; Tanner, Theo F. N.; Clark, Ian P.; Greetham, Gregory; Towrie, Michael; Fairlamb, Ian J. S.; Lynam, Jason M.","The importance of understanding (pre)catalyst activation in versatile C-H bond functionalisations catalysed by [Mn<sub>2</sub>(CO)<sub>10</sub>].","Chemical science","2024","15","24","9183","9191","10.1039/d4sc01215a","","x-ray","0.71073","MoKα","","0.0456","0.0355","","","0.0734","0.0803","","","","","","1.062","","","","has coordinates","292853","2024-07-05","13:55:12",""
"1571535","17.3078","0.0018","17.5817","0.0018","18.5767","0.0019","79.878","0.004","73.879","0.004","87.864","0.004","5345.7","1","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C129 H104 B2 Cl N Os P4 -","- C129 H104 B2 Cl N Os P4 -","- C258 H208 B4 Cl2 N2 Os2 P8 -","2","1","","Zheng, Xuejuan; Huang, Fanping; Li, Xinyuan; Zhuo, Kaiyue; Chen, Dafa; Luo, Ming; Xia, Haiping","Isomerization reactions of metal vinylidene units.","Chemical science","2024","15","22","8443","8450","10.1039/d4sc01993h","","x-ray","1.54178","CuKα","","0.0404","0.0366","","","0.1086","0.1113","","","","","","1.088","","","","has coordinates","292868","2024-07-05","14:08:45",""
"1571536","22.014","0.003","21.683","0.003","12.1814","0.0015","90","","98.337","0.005","90","","5753.1","1.3","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C65 H53 B Cl4 F4 N Os P3 -","- C65 H53 B Cl4 F4 N Os P3 -","- C260 H212 B4 Cl16 F16 N4 Os4 P12 -","4","1","","Zheng, Xuejuan; Huang, Fanping; Li, Xinyuan; Zhuo, Kaiyue; Chen, Dafa; Luo, Ming; Xia, Haiping","Isomerization reactions of metal vinylidene units.","Chemical science","2024","15","22","8443","8450","10.1039/d4sc01993h","","x-ray","1.54178","CuKα","","0.0434","0.0359","","","0.0846","0.0896","","","","","","1.049","","","","has coordinates,has disorder","292868","2024-07-05","14:08:45",""
"1571537","10.0004","0.0013","11.4627","0.0015","27.876","0.004","101.832","0.005","93.282","0.005","91.924","0.005","3119.1","0.7","100","","100","","","","","","","","","10","P -1","-P 1","2","","","","- C71 H56 B Br Cl4 F4 N Os P3 S -","- C71 H56 B Br Cl4 F4 N Os P3 S -","- C142 H112 B2 Br2 Cl8 F8 N2 Os2 P6 S2 -","2","1","","Zheng, Xuejuan; Huang, Fanping; Li, Xinyuan; Zhuo, Kaiyue; Chen, Dafa; Luo, Ming; Xia, Haiping","Isomerization reactions of metal vinylidene units.","Chemical science","2024","15","22","8443","8450","10.1039/d4sc01993h","","x-ray","1.54178","CuKα","","0.0367","0.0356","","","0.0935","0.0943","","","","","","1.047","","","","has coordinates,has disorder","292868","2024-07-05","14:08:45",""
"1571538","15.7974","0.0005","17.7933","0.0005","20.4463","0.0006","75.963","0.001","89.72","0.001","73.086","0.001","5321","0.3","100","0.2","100","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C119 H108 B2 Cl11 N Os P4 -","- C119 H108 B2 Cl11 N Os P4 -","- C238 H216 B4 Cl22 N2 Os2 P8 -","2","1","","Zheng, Xuejuan; Huang, Fanping; Li, Xinyuan; Zhuo, Kaiyue; Chen, Dafa; Luo, Ming; Xia, Haiping","Isomerization reactions of metal vinylidene units.","Chemical science","2024","15","22","8443","8450","10.1039/d4sc01993h","","x-ray","1.54178","CuKα","","0.0516","0.0507","","","0.1336","0.1345","","","","","","1.046","","","","has coordinates","292868","2024-07-05","14:08:45",""
"1571539","9.9632","0.0009","11.5217","0.001","29.202","0.003","78.917","0.003","82.668","0.003","88.004","0.003","3262.6","0.5","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C73 H61 B Cl6 F4 N Os P3 S -","- C73 H61 B Cl6 F4 N Os P3 S -","- C146 H122 B2 Cl12 F8 N2 Os2 P6 S2 -","2","1","","Zheng, Xuejuan; Huang, Fanping; Li, Xinyuan; Zhuo, Kaiyue; Chen, Dafa; Luo, Ming; Xia, Haiping","Isomerization reactions of metal vinylidene units.","Chemical science","2024","15","22","8443","8450","10.1039/d4sc01993h","","x-ray","1.34139","GaKα","","0.0516","0.0486","","","0.1176","0.1193","","","","","","1.044","","","","has coordinates,has disorder","292868","2024-07-05","14:08:45",""
"1571540","12.5847","0.0005","20.847","0.0008","21.1394","0.0008","90","","93.812","0.001","90","","5533.7","0.4","100","0.2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H50 Cl4 N Os P3 -","- C63 H50 Cl4 N Os P3 -","- C252 H200 Cl16 N4 Os4 P12 -","4","1","","Zheng, Xuejuan; Huang, Fanping; Li, Xinyuan; Zhuo, Kaiyue; Chen, Dafa; Luo, Ming; Xia, Haiping","Isomerization reactions of metal vinylidene units.","Chemical science","2024","15","22","8443","8450","10.1039/d4sc01993h","","","1.54178","CuKα","","0.0324","0.0316","","","0.0823","0.083","","","","","","1.054","","","","has coordinates","292868","2024-07-05","14:08:45",""
"1571541","14.0545","0.0004","17.0441","0.0005","17.7828","0.0006","78.098","0.001","81.652","0.001","70.887","0.001","3924.5","0.2","100","0.2","100","0.2","","","","","","","","8","P -1","-P 1","2","","","","- C91 H76 B Cl7 N O Os P3 -","- C91 H76 B Cl7 N O Os P3 -","- C182 H152 B2 Cl14 N2 O2 Os2 P6 -","2","1","","Zheng, Xuejuan; Huang, Fanping; Li, Xinyuan; Zhuo, Kaiyue; Chen, Dafa; Luo, Ming; Xia, Haiping","Isomerization reactions of metal vinylidene units.","Chemical science","2024","15","22","8443","8450","10.1039/d4sc01993h","","x-ray","1.54184","CuKα","","0.0359","0.0358","","","0.0958","0.0958","","","","","","1.07","","","","has coordinates","292868","2024-07-05","14:08:45",""
"1571542","17.3296","0.0004","17.6406","0.0004","18.5079","0.0004","79.837","0.001","73.958","0.001","87.976","0.001","5351.8","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C129 H104 B2 Cl N P4 Ru -","- C129 H104 B2 Cl N P4 Ru -","- C258 H208 B4 Cl2 N2 P8 Ru2 -","2","1","","Zheng, Xuejuan; Huang, Fanping; Li, Xinyuan; Zhuo, Kaiyue; Chen, Dafa; Luo, Ming; Xia, Haiping","Isomerization reactions of metal vinylidene units.","Chemical science","2024","15","22","8443","8450","10.1039/d4sc01993h","","x-ray","1.54178","CuKα","","0.0423","0.0392","","","0.0971","0.099","","","","","","1.032","","","","has coordinates","292868","2024-07-05","14:08:45",""
"1571543","14.163","0.0007","14.2184","0.0007","15.9648","0.0008","98.109","0.002","106.294","0.002","101.236","0.002","2960.5","0.3","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C63 H49 Cl2 F6 N Os P4 S -","- C63 H49 Cl2 F6 N Os P4 S -","- C126 H98 Cl4 F12 N2 Os2 P8 S2 -","2","1","","Zheng, Xuejuan; Huang, Fanping; Li, Xinyuan; Zhuo, Kaiyue; Chen, Dafa; Luo, Ming; Xia, Haiping","Isomerization reactions of metal vinylidene units.","Chemical science","2024","15","22","8443","8450","10.1039/d4sc01993h","","x-ray","1.54178","CuKα","","0.0337","0.0311","","","0.0778","0.0792","","","","","","1.036","","","","has coordinates","292868","2024-07-05","14:08:45",""
"1571544","16.9627","0.0008","19.3429","0.0009","22.1477","0.001","110.864","0.002","94.765","0.002","114.869","0.002","5923.8","0.5","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C119 H100 B2 Cl N Os P4 -","- C119 H100 B2 Cl N Os P4 -","- C238 H200 B4 Cl2 N2 Os2 P8 -","2","1","","Zheng, Xuejuan; Huang, Fanping; Li, Xinyuan; Zhuo, Kaiyue; Chen, Dafa; Luo, Ming; Xia, Haiping","Isomerization reactions of metal vinylidene units.","Chemical science","2024","15","22","8443","8450","10.1039/d4sc01993h","","x-ray","1.54178","CuKα","","0.0584","0.0553","","","0.1635","0.1669","","","","","","1.026","","","","has coordinates","292868","2024-07-05","14:08:45",""
"1571545","12.4889","0.0008","4.885","0.0003","20.257","0.0012","90","","92.563","0.006","90","","1234.61","0.13","99.99","0.1","100.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 N8 -","- C30 H24 N8 -","- C60 H48 N16 -","2","0.5","","Tipping, Max B.; Pruñonosa Lara, Lidón; Solea, Atena B.; von Krbek, Larissa K. S.; Ward, Michael D.","Photoswitching of Co(ii)-based coordination cages containing azobenzene backbones.","Chemical science","2024","15","22","8488","8499","10.1039/d4sc01575d","","","1.54184","CuKα","","0.1034","0.0736","","","0.1982","0.2539","","","","","","1.092","","","","has coordinates,has disorder","292869","2024-07-05","14:09:03",""
"1571546","20.35957","0.00013","21.05549","0.00013","23.94804","0.00013","93.3668","0.0005","93.7613","0.0005","94.7042","0.0006","10188.2","0.11","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C191.88 H203.94 B7.94 Co4 F32.28 N48.11 O17.88 -","- C181.881 H151.931 B7.548 Co4 F30.672 N48.107 O1.881 -","- C363.762 H303.862 B15.096 Co8 F61.344 N96.214 O3.762 -","2","1","","Tipping, Max B.; Pruñonosa Lara, Lidón; Solea, Atena B.; von Krbek, Larissa K. S.; Ward, Michael D.","Photoswitching of Co(ii)-based coordination cages containing azobenzene backbones.","Chemical science","2024","15","22","8488","8499","10.1039/d4sc01575d","","","0.6889","","","0.0762","0.0638","","","0.1905","0.1986","","","","","","1.073","","","","has coordinates,has disorder","292869","2024-07-05","14:09:03",""
"1571547","12.942","0.0002","31.1363","0.0006","14.2239","0.0002","90","","90.943","0.001","90","","5730.97","0.16","100","0.11","100","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 N2 O4 S2 -","- C26 H44 N2 O4 S2 -","- C208 H352 N16 O32 S16 -","8","2","","Debsharma, Tapas; Purwanto, Nathan S.; Fenimore, Logan M.; Mitchell, Sarah; Kennedy, Jayme; Torkelson, John M.","BiTEMPS methacrylate dynamic covalent cross-linker providing rapid reprocessability and extrudability of covalent adaptable networks: high-yield synthesis with strong selectivity for disulfide linkages","Polymer Chemistry","2024","15","21","2167","2176","10.1039/D4PY00160E","","x-ray","1.54184","CuKα","","0.0854","0.0681","","","0.1527","0.1599","","","","","","1.081","","","","has coordinates","293296","2024-07-05","18:11:14",""
"1571548","13.9546","0.0004","20.1055","0.0006","11.0995","0.0003","90","","101.725","0.003","90","","3049.14","0.15","99.99","0.13","99.99","0.13","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 N2 O4 S4 -","- C26 H44 N2 O4 S4 -","- C104 H176 N8 O16 S16 -","4","1","","Debsharma, Tapas; Purwanto, Nathan S.; Fenimore, Logan M.; Mitchell, Sarah; Kennedy, Jayme; Torkelson, John M.","BiTEMPS methacrylate dynamic covalent cross-linker providing rapid reprocessability and extrudability of covalent adaptable networks: high-yield synthesis with strong selectivity for disulfide linkages","Polymer Chemistry","2024","15","21","2167","2176","10.1039/D4PY00160E","","x-ray","1.54184","CuKα","","0.059","0.0497","","","0.1327","0.1382","","","","","","1.09","","","","has coordinates","293296","2024-07-05","18:11:15",""
"1571549","6.2869","0.0001","9.3906","0.0002","11.5393","0.0002","89.579","0.002","78.811","0.002","86.145","0.002","666.78","0.02","100.1","0.3","100.1","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C13 H23 N O2 -","- C13 H23 N O2 -","- C26 H46 N2 O4 -","2","1","","Debsharma, Tapas; Purwanto, Nathan S.; Fenimore, Logan M.; Mitchell, Sarah; Kennedy, Jayme; Torkelson, John M.","BiTEMPS methacrylate dynamic covalent cross-linker providing rapid reprocessability and extrudability of covalent adaptable networks: high-yield synthesis with strong selectivity for disulfide linkages","Polymer Chemistry","2024","15","21","2167","2176","10.1039/D4PY00160E","","x-ray","1.54184","CuKα","","0.0443","0.0413","","","0.1064","0.1084","","","","","","1.088","","","","has coordinates","293296","2024-07-05","18:11:15",""
"1571550","12.49888","0.00012","12.16712","0.00012","19.36765","0.00017","90","","91.5744","0.0008","90","","2944.23","0.05","99.99","0.13","99.99","0.13","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H44 N2 O4 S3 -","- C26 H44 N2 O4 S3 -","- C104 H176 N8 O16 S12 -","4","1","","Debsharma, Tapas; Purwanto, Nathan S.; Fenimore, Logan M.; Mitchell, Sarah; Kennedy, Jayme; Torkelson, John M.","BiTEMPS methacrylate dynamic covalent cross-linker providing rapid reprocessability and extrudability of covalent adaptable networks: high-yield synthesis with strong selectivity for disulfide linkages","Polymer Chemistry","2024","15","21","2167","2176","10.1039/D4PY00160E","","x-ray","1.54184","CuKα","","0.0316","0.0299","","","0.0806","0.0818","","","","","","1.078","","","","has coordinates","293296","2024-07-05","18:11:15",""
"1571551","21.266","0.002","19.1361","0.0016","25.447","0.002","90","","90.517","0.003","90","","10355.2","1.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H80 Cl6 Mn3 N18 O46 -","- C90 H78 Cl6 Mn3 N18 O46 -","- C360 H312 Cl24 Mn12 N72 O184 -","4","1","","Castro, Jesús; Ferraro, Valentina; Bortoluzzi, Marco","Further Insight into the Manganese(II) 2,2′-Bipyridine-1,1′-dioxide Homoleptic Complex: Single-Crystal X-ray Structure Determination of the Perchlorate Salt and DFT Calculations","Crystals","2024","14","5","422","","10.3390/cryst14050422","","","0.71073","MoKα","","0.0607","0.0531","","","0.136","0.1421","","","","","","1.069","","","","has coordinates","291703","2024-05-05","09:49:27",""
"1571552","21.302","0.003","19.101","0.003","25.487","0.004","90","","90.354","0.005","90","","10370","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H80 Cl6 Mn3 N18 O46 -","- C90 H72 Cl6 Mn3 N18 O46 -","- C360 H288 Cl24 Mn12 N72 O184 -","4","1","","Castro, Jesús; Ferraro, Valentina; Bortoluzzi, Marco","Further Insight into the Manganese(II) 2,2′-Bipyridine-1,1′-dioxide Homoleptic Complex: Single-Crystal X-ray Structure Determination of the Perchlorate Salt and DFT Calculations","Crystals","2024","14","5","422","","10.3390/cryst14050422","","","0.71073","MoKα","","0.1157","0.1002","","","0.2632","0.271","","","","","","1.096","","","","has coordinates","291703","2024-05-05","09:49:30",""
"1571553","14.5956","0.0009","14.5956","0.0009","7.6929","0.0004","90","","90","","120","","1419.27","0.14","300","2","300","2","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- Al78 Fe18 -","- Al78 Fe18 -","- Al78 Fe18 -","1","0.0277778","","Liu, Yibo; Fan, Changzeng; Xu, Zhefeng; Fu, Ruidong; Wen, Bin; Zhang, Lifeng","Orientation Relationship of the Intergrowth Al13Fe3 and Al13Fe4 Intermetallics Determined by Single-Crystal X-ray Diffraction","Metals","2024","14","4","463","","10.3390/met14040463","","","0.71073","MoKα","","0.0369","0.0327","","","0.0703","0.071","","","","","","1.326","","","","has coordinates","291704","2024-05-05","18:29:34",""
"1571554","15.498","0.004","8.0814","0.0017","12.488","0.003","90","","107.79","0.008","90","","1489.3","0.6","300","2","300","2","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Al3.25 Fe -","- Al3.25 Fe -","- Al78 Fe24 -","24","3","","Liu, Yibo; Fan, Changzeng; Xu, Zhefeng; Fu, Ruidong; Wen, Bin; Zhang, Lifeng","Orientation Relationship of the Intergrowth Al13Fe3 and Al13Fe4 Intermetallics Determined by Single-Crystal X-ray Diffraction","Metals","2024","14","4","463","","10.3390/met14040463","","","0.71073","MoKα","","0.1721","0.0803","","","0.1727","0.223","","","","","","1.064","","","","has coordinates","291705","2024-05-05","18:29:47",""
"1571555","14.8687","0.0006","7.2434","0.0002","12.5592","0.0004","90","","107.559","0.0008","90","","1289.6","0.08","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Cl N3 O2 -","- C13 H14 Cl N3 O2 -","- C52 H56 Cl4 N12 O8 -","4","1","","Bruni, Giovanna; Capsoni, Doretta; Pellegrini, Anna; Altomare, Angela; Coduri, Mauro; Ferrara, Chiara; Galinetto, Pietro; Molteni, Renato","New Findings on the Crystal Polymorphism of Imepitoin.","Molecules (Basel, Switzerland)","2024","29","8","1724","","10.3390/molecules29081724","powder diffraction","","0.354176","","","","","","","","","","0.06576","1.29822","","","","","","","has coordinates","291706","2024-05-05","20:41:03",""
"1571556","12.0281","0.0008","12.3628","0.0009","12.5821","0.0009","110.49","0.003","99.692","0.003","108.754","0.003","1574.1","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H32 Co N4 O12 S -","- C29 H32 Co N4 O12 S -","- C58 H64 Co2 N8 O24 S2 -","2","1","","Lee, Chia-Yi; Ye, Yu-Hui; Wang, Song-Wei; Chen, Jhy-Der","Diverse Co(II) Coordination Polymers with the Same Mixed Ligands: Evaluation of Chemical Stability and Structural Transformation.","Molecules (Basel, Switzerland)","2024","29","8","1748","","10.3390/molecules29081748","","","0.71073","MoKα","","0.044","0.0413","","","0.107","0.1089","","","","","","1.048","","","","has coordinates,has disorder","291707","2024-05-05","20:41:47",""
"1571557","10.537","0.003","12.378","0.002","12.849","0.002","61.476","0.008","72.697","0.01","85.374","0.014","1402","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 Co N4 O10 S -","- C28 H26 Co N4 O10 S -","- C56 H52 Co2 N8 O20 S2 -","2","1","","Lee, Chia-Yi; Ye, Yu-Hui; Wang, Song-Wei; Chen, Jhy-Der","Diverse Co(II) Coordination Polymers with the Same Mixed Ligands: Evaluation of Chemical Stability and Structural Transformation.","Molecules (Basel, Switzerland)","2024","29","8","1748","","10.3390/molecules29081748","","","0.71073","MoKα","","0.0323","0.0296","","","0.0825","0.0841","","","","","","1.063","","","","has coordinates","291707","2024-05-05","20:41:49",""
"1571558","11.6913","0.0008","12.5564","0.0008","13.2862","0.0008","105.716","0.0018","105.604","0.0018","91.3885","0.0019","1798.4","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H33 Co N6 O11 S -","- C35 H31 Co N6 O11 S -","- C70 H62 Co2 N12 O22 S2 -","2","1","","Lee, Chia-Yi; Ye, Yu-Hui; Wang, Song-Wei; Chen, Jhy-Der","Diverse Co(II) Coordination Polymers with the Same Mixed Ligands: Evaluation of Chemical Stability and Structural Transformation.","Molecules (Basel, Switzerland)","2024","29","8","1748","","10.3390/molecules29081748","","","0.71073","MoKα","","0.1193","0.0535","","","0.0871","0.1061","","","","","","1.004","","","","has coordinates,has disorder","291707","2024-05-05","20:41:50",""
"1571559","13.9967","0.0009","14.4949","0.0008","14.9094","0.0008","104.089","0.0014","93.162","0.0015","114.136","0.0014","2636.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H49 Co2 N6 O21 S2 -","- C49 H46 Co2 N6 O21 S2 -","- C98 H92 Co4 N12 O42 S4 -","2","1","","Lee, Chia-Yi; Ye, Yu-Hui; Wang, Song-Wei; Chen, Jhy-Der","Diverse Co(II) Coordination Polymers with the Same Mixed Ligands: Evaluation of Chemical Stability and Structural Transformation.","Molecules (Basel, Switzerland)","2024","29","8","1748","","10.3390/molecules29081748","","","0.71073","MoKα","","0.0811","0.0495","","","0.1133","0.1364","","","","","","1.019","","","","has coordinates,has disorder","291707","2024-05-05","20:41:50",""
"1571560","11.978","0.003","7.588","0.0014","28.042","0.005","90","","101.705","0.018","90","","2495.7","0.9","301","","301","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N3 O6 V -","- C26 H28 N3 O6 V -","- C104 H112 N12 O24 V4 -","4","1","","Hasegawa, Kyoko; Muto, Masahiro; Hamada, Masanobu; Yamada, Yasunori; Tokii, Tadashi; Koikawa, Masayuki","Syntheses, Structures, and Electrochemical Properties of Metallacyclic Oxidovanadium(V) Complexes with Asymmetric Multidentate Linking Ligands.","Molecules (Basel, Switzerland)","2024","29","8","1700","","10.3390/molecules29081700","","","0.71069","MoKα","","0.2748","0.079","","","0.216","0.3181","","","","","","0.947","","","","has coordinates","291708","2024-05-05","20:42:12",""
"1571561","12.465","0.005","16.244","0.006","18.285","0.008","102.99","0.03","98.16","0.03","108.59","0.03","3327","3","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H33 N6 O15 V3 -","- C60 H33 N6 O15 V3 -","- C120 H66 N12 O30 V6 -","2","1","","Hasegawa, Kyoko; Muto, Masahiro; Hamada, Masanobu; Yamada, Yasunori; Tokii, Tadashi; Koikawa, Masayuki","Syntheses, Structures, and Electrochemical Properties of Metallacyclic Oxidovanadium(V) Complexes with Asymmetric Multidentate Linking Ligands.","Molecules (Basel, Switzerland)","2024","29","8","1700","","10.3390/molecules29081700","","x-ray","0.71075","MoKα","","0.0852","0.0568","","","0.1509","0.1766","","","","","","0.949","","","","has coordinates","291709","2024-05-05","20:42:28",""
"1571562","15.307","0.005","15.582","0.005","18.458","0.005","87.11","0.02","69.06","0.02","79.74","0.03","4046","2","292","","292","","","","","","","","","5","P -1","-P 1","2","","","","- C70 H48 N8 O19 V3 -","- C70 H51 N8 O17 V3 -","- C140 H102 N16 O34 V6 -","2","1","","Hasegawa, Kyoko; Muto, Masahiro; Hamada, Masanobu; Yamada, Yasunori; Tokii, Tadashi; Koikawa, Masayuki","Syntheses, Structures, and Electrochemical Properties of Metallacyclic Oxidovanadium(V) Complexes with Asymmetric Multidentate Linking Ligands.","Molecules (Basel, Switzerland)","2024","29","8","1700","","10.3390/molecules29081700","","","0.71069","MoKα","","0.2692","0.0858","","","0.2336","0.3156","","","","","","0.927","","","","has coordinates","291710","2024-05-05","20:42:45",""
"1571563","7.4865","","17.8463","","25.6545","","90","","90","","90","","3427.6","","103","","103","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- Na8.154744 O124.8117 Si60 -","- Na8.156 O124.812 Si60 -","- Na8.156 O124.812 Si60 -","1","0.125","","Örs, Taylan; Deroche, Irena; Chatelard, Corentin; Dodin, Mathias; Martinez-Franco, Raquel; Tuel, Alain; Paillaud, Jean-Louis","Determination of Na+ Cation Locations in Nanozeolite ECR-1 Using a 3D ED Method","Symmetry","2024","16","4","477","","10.3390/sym16040477","","electron","0.02508","electron","","0.5174","0.0966","","","0.1798","0.2245","","","","2.7302","2.7302","0.7976","","","","has coordinates","291713","2024-05-06","01:26:35",""
"1571564","16.8","0.003","18.2","0.004","18.9","0.004","110","0.03","101","0.03","106","0.03","4953","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H56 Cl10 N2 O4 S2 -","- C86 H56 Cl10 N2 O4 S2 -","- C172 H112 Cl20 N4 O8 S4 -","2","1","","Jha, Shivangee; Mehra, Kundan Singh; Dey, Mandira; S, Sujesh; Ghosh, Debashree; Mondal, Pradip Kumar; Polentarutti, Maurizio; Sankar, Jeyaraman","A nine-ring fused terrylene diimide exhibits switching between red TADF and near-IR room temperature phosphorescence.","Chemical science","2024","15","23","8974","8981","10.1039/d4sc01040j","","","0.7","Synchrotron","","0.2818","0.1993","","","0.5119","0.5644","","","","","","1.514","","","","has coordinates,has disorder","292923","2024-07-05","15:07:40",""
"1571565","9.0844","0.0003","10.3859","0.0004","18.7463","0.0006","75.426","0.002","89.765","0.002","88.695","0.002","1711.35","0.1","302","","302","","","","","","","","","5","P 1","P 1","1","","","","- C41 H35 F N2 O5 -","- C41 H35 F N2 O5 -","- C82 H70 F2 N4 O10 -","2","2","","Wang, Yue; Huang, Yue; Bao, Xiaoze; Wei, Xingfu; Wei, Shiqiang; Qu, Jingping; Wang, Baomin","Organocatalytic diastereo- and atropo-selective construction of eight-membered bridged (hetero)biaryls <i>via</i> asymmetric intramolecular [3 + 2] cycloaddition.","Chemical science","2024","15","23","8880","8887","10.1039/d4sc01892c","","","1.54178","CuKα","","0.08","0.0635","","","0.151","0.1708","","","","","","1.094","","","","has coordinates,has disorder","292918","2024-07-05","15:06:35",""
"1571566","10.2162","0.0003","16.7001","0.0004","19.1032","0.0005","90","","105.024","0.001","90","","3147.82","0.15","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H28 Cl3 N3 O3 -","- C36 H28 Cl3 N3 O3 -","- C144 H112 Cl12 N12 O12 -","4","2","","Wang, Yue; Huang, Yue; Bao, Xiaoze; Wei, Xingfu; Wei, Shiqiang; Qu, Jingping; Wang, Baomin","Organocatalytic diastereo- and atropo-selective construction of eight-membered bridged (hetero)biaryls <i>via</i> asymmetric intramolecular [3 + 2] cycloaddition.","Chemical science","2024","15","23","8880","8887","10.1039/d4sc01892c","","","0.71073","MoKα","","0.0399","0.0359","","","0.085","0.0876","","","","","","1.001","","","","has coordinates","292918","2024-07-05","15:06:35",""
"1571567","12.1911","0.0001","12.2435","0.0001","32.968","0.0002","93.146","0.001","92.499","0.001","98.637","0.001","4851.02","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H60 Fe O6 -","- C57 H60 Fe O6 -","- C228 H240 Fe4 O24 -","4","2","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","","0.6889","Synchrotron","","0.0712","0.0596","","","0.1673","0.1754","","","","","","1.105","","","","has coordinates","292898","2024-07-05","15:00:32",""
"1571568","10.9292","0.0002","15.7523","0.0003","12.3261","0.0003","90","","95.5","0.002","90","","2112.29","0.08","120","2","120","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","FEYLLS","","- C52 H50 Fe O4 -","- C52 H50 Fe O4 -","- C104 H100 Fe2 O8 -","2","0.5","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","x-ray","1.54184","CuKα","K-L~2,3~","0.0648","0.0609","","","0.1664","0.1733","","","","","","1.067","","","","has coordinates,has disorder","292898","2024-07-05","15:00:33",""
"1571569","12.1688","0.0003","16.2148","0.0005","21.5184","0.0005","90","","91.955","0.002","90","","4243.42","0.19","120","0.1","120","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H50 Fe O4 -","- C52 H50 Fe O4 -","- C208 H200 Fe4 O16 -","4","1","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","x-ray","1.54184","CuKα","","0.091","0.0789","","","0.2116","0.2232","","","","","","1.124","","","","has coordinates","292898","2024-07-05","15:00:33",""
"1571570","11.4153","0.0005","20.3383","0.0009","18.6089","0.0008","90","","90.572","0.004","90","","4320.2","0.3","99.95","","99.95","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H50 Fe O4 -","- C54 H50 Fe O4 -","- C216 H200 Fe4 O16 -","4","1","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","x-ray","0.6889","Synchrotron","","0.0916","0.0589","","","0.1403","0.1602","","","","","","1.015","","","","has coordinates","292898","2024-07-05","15:00:33",""
"1571571","17.8946","0.0001","20.0899","0.0001","23.5547","0.0001","90","","90","","90","","8467.93","0.07","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C55 H53 O2 -","- C55 H53 O2 -","- C440 H424 O16 -","8","1","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","x-ray","1.54184","CuKα","","0.0495","0.0475","","","0.1217","0.1232","","","","","","1.041","","","","has coordinates","292898","2024-07-05","15:00:33",""
"1571572","12.3798","0.0004","12.6107","0.0004","14.6241","0.0005","86.062","0.003","76.881","0.003","79.062","0.003","2182.32","0.13","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H50 Fe O5 -","- C53 H50 Fe O5 -","- C106 H100 Fe2 O10 -","2","1","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","x-ray","1.54184","CuKα","","0.0379","0.0345","","","0.087","0.0892","","","","","","1.068","","","","has coordinates","292898","2024-07-05","15:00:33",""
"1571573","11.0369","0.0005","13.8006","0.0005","18.0187","0.0008","73.812","0.003","89.056","0.004","72.173","0.004","2502","0.2","119.99","0.11","119.99","0.11","","","","","","","","4","P -1","-P 1","2","","","","- C60 H71 Fe O3 -","- C51 H50 Fe O3 -","- C102 H100 Fe2 O6 -","2","1","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","x-ray","1.54184","CuKα","","0.0601","0.0506","","","0.1323","0.1393","","","","","","1.062","","","","has coordinates","292898","2024-07-05","15:00:33",""
"1571574","10.4522","0.0004","11.8004","0.0004","16.7576","0.0007","86.655","0.003","89.55","0.003","76.007","0.003","2002.09","0.13","119.99","0.1","119.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C52 H50 Fe O2 -","- C52 H50 Fe O2 -","- C104 H100 Fe2 O4 -","2","1","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","x-ray","1.54184","CuKα","","0.1204","0.0941","","","0.2529","0.2726","","","","","","1.02","","","","has coordinates","292898","2024-07-05","15:00:33",""
"1571575","12.6674","0.0003","13.2102","0.0003","14.2164","0.0003","67.027","0.002","83.24","0.002","84.686","0.002","2172.22","0.09","120","2","120.15","","","","","","","","","4","P -1","-P 1","2","","","","- C106 H112 Fe2 O8 -","- C106 H112 Fe2 O8 -","- C106 H112 Fe2 O8 -","1","0.5","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","x-ray","1.54184","CuKα","","0.0327","0.0317","","","0.0891","0.0899","","","","","","1.088","","","","has coordinates","292898","2024-07-05","15:00:33",""
"1571576","19.6224","0.0001","20.014","0.0001","22.4185","0.0001","90","","114.596","0.001","90","","8005.4","0.09","100","","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C52 H50 O2 -","- C52 H50 O2 -","- C416 H400 O16 -","8","2","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","","0.6889","Synchrotron","","0.079","0.0626","","","0.1864","0.1948","","","","","","1.094","","","","has coordinates","292898","2024-07-05","15:00:33",""
"1571577","17.8916","0.0006","16.8787","0.0006","13.6585","0.0005","90","","90","","90","","4124.7","0.3","120","2","120","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C52 H50 O2 -","- C52 H50 O2 -","- C208 H200 O8 -","4","1","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","x-ray","1.54184","CuKα","","0.0556","0.0487","","","0.1285","0.1348","","","","","","1.034","","","","has coordinates","292898","2024-07-05","15:00:33",""
"1571578","13.2353","0.0003","13.8441","0.0005","36.1863","0.0007","79.731","0.002","83.226","0.002","72.453","0.003","6206.1","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C156.5 H160.5 Fe3 O10 -","- C152 H150 Fe3 O10 -","- C304 H300 Fe6 O20 -","2","1","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","x-ray","1.54184","CuKα","","0.1464","0.1085","","","0.2951","0.3229","","","","","","1.038","","","","has coordinates,has disorder","292898","2024-07-05","15:00:33",""
"1571579","12.9566","0.0002","13.7268","0.0003","17.6044","0.0004","81.108","0.002","70.509","0.002","70.199","0.002","2774","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C124 H156 Fe2 O12.25 -","- C124 H156 Fe2 O12.246 -","- C124 H156 Fe2 O12.246 -","1","0.5","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","x-ray","1.54184","CuKα","","0.0539","0.0481","","","0.1318","0.1356","","","","","","1.072","","","","has coordinates,has disorder","292898","2024-07-05","15:00:33",""
"1571580","12.1282","0.0003","14.9679","0.0003","20.5823","0.0005","102.728","0.002","99.634","0.002","107.973","0.002","3353.35","0.15","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C83 H90 Fe O4 -","- C77 H76 Fe O4 -","- C154 H152 Fe2 O8 -","2","1","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","x-ray","1.54184","CuKα","","0.0408","0.0395","","","0.1082","0.1095","","","","","","1.038","","","","has coordinates,has disorder","292898","2024-07-05","15:00:33",""
"1571581","12.4176","0.0002","13.298","0.0002","14.4695","0.0002","65.894","0.002","83.35","0.002","84.359","0.002","2162.86","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C106 H114 Fe2 O8 -","- C100 H100 Fe2 O8 -","- C100 H100 Fe2 O8 -","1","0.5","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","x-ray","1.54184","CuKα","","0.052","0.0449","","","0.1281","0.1335","","","","","","1.086","","","","has coordinates","292898","2024-07-05","15:00:33",""
"1571582","6.243","0.002","8.03","0.003","19.073","0.007","90","","94.875","0.01","90","","952.7","0.6","193","","193","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 O3 S -","- C20 H24 O3 S -","- C40 H48 O6 S2 -","2","1","","Zhao, Lingzi; Liu, Feipeng; Zhuang, Yan; Shen, Mengyang; Xue, Jing; Wang, Xuchao; Zhang, Yuting; Rong, Zi-Qiang","CoH-catalyzed asymmetric remote hydroalkylation of heterocyclic alkenes: a rapid approach to chiral five-membered S- and O-heterocycles.","Chemical science","2024","15","23","8888","8895","10.1039/d4sc01149j","","x-ray","0.71073","MoKα","","0.104","0.0922","","","0.242","0.2547","","","","","","1.121","","","","has coordinates","292922","2024-07-05","15:07:32",""
"1571583","16.291","0.002","6.2878","0.0006","15.4937","0.0018","90","","116.475","0.015","90","","1420.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Br F3 O -","- C16 H10 Br F3 O -","- C64 H40 Br4 F12 O4 -","4","1","","Zhang, Linghong; You, Mengdi; Ban, Xu; Zhao, Xiaowei; Yin, Yanli; Cao, Shanshan; Jiang, Zhiyong","Visible light-driven dearomative ring expansion of (aza)arenes to access dihydrofuran-based polycyclic compounds.","Chemical science","2024","15","23","8828","8834","10.1039/d4sc00748d","","x-ray","1.54184","CuKα","","0.0775","0.056","","","0.1486","0.1743","","","","","","0.968","","","","has coordinates,has disorder","292927","2024-07-05","15:08:24",""
"1571584","9.1987","0.0006","11.0072","0.0006","12.2093","0.0006","90.074","0.004","92.871","0.004","96.049","0.005","1227.76","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H31 F3 O -","- C28 H31 F3 O -","- C56 H62 F6 O2 -","2","1","","Zhang, Linghong; You, Mengdi; Ban, Xu; Zhao, Xiaowei; Yin, Yanli; Cao, Shanshan; Jiang, Zhiyong","Visible light-driven dearomative ring expansion of (aza)arenes to access dihydrofuran-based polycyclic compounds.","Chemical science","2024","15","23","8828","8834","10.1039/d4sc00748d","","x-ray","1.54184","CuKα","","0.0858","0.0731","","","0.2102","0.228","","","","","","1.036","","","","has coordinates","292927","2024-07-05","15:08:24",""
"1571585","6.9554","0.0004","13.0085","0.0007","17.4007","0.0013","75.775","0.006","80.036","0.006","89.708","0.005","1501.96","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 F3 O -","- C18 H15 F3 O -","- C72 H60 F12 O4 -","4","2","","Zhang, Linghong; You, Mengdi; Ban, Xu; Zhao, Xiaowei; Yin, Yanli; Cao, Shanshan; Jiang, Zhiyong","Visible light-driven dearomative ring expansion of (aza)arenes to access dihydrofuran-based polycyclic compounds.","Chemical science","2024","15","23","8828","8834","10.1039/d4sc00748d","","x-ray","1.54184","CuKα","","0.0797","0.0513","","","0.119","0.1277","","","","","","1.003","","","","has coordinates","292927","2024-07-05","15:08:24",""
"1571586","19.1458","0.0002","22.7805","0.0004","23.8161","0.0002","91.223","0.001","94.258","0.001","114.009","0.001","9447.4","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C174 H94 Ag6 Au9 Cl2 F60 P5 -","- C174 H94 Ag6 Au9 Cl2 F60 P5 -","- C348 H188 Ag12 Au18 Cl4 F120 P10 -","2","1","","Deng, Guocheng; Ki, Taeyoung; Yoo, Seungwoo; Liu, Xiaolin; Lee, Kangjae; Bootharaju, Megalamane S.; Hyeon, Taeghwan","[Au<sub>9</sub>Ag<sub>6</sub>(CCR)<sub>10</sub>(DPPM)<sub>2</sub>Cl<sub>2</sub>](PPh<sub>4</sub>): a four-electron cluster with a bi-decahedral twisted metal core.","Nanoscale","2024","16","23","11090","11095","10.1039/d4nr01471e","","x-ray","1.54184","CuKα","","0.0924","0.0771","","","0.1986","0.2098","","","","","","1.019","","","","has coordinates","293181","2024-07-05","17:31:03",""
"1571587","11.6235","0.0003","12.0608","0.0005","16.9201","0.0007","77.785","0.004","87.986","0.003","77.824","0.003","2266.04","0.15","293","","293","","","","","","","","","7","P -1","-P 1","2","","CIH-Zn","","- C34 H24 F N6 O11 P Zn2 -","- C34 H24 F N6 O11 P Zn2 -","- C68 H48 F2 N12 O22 P2 Zn4 -","2","1","","Singh, Avanish Kumar; Singh, Amit Kumar; Sharma, Shashi Kant; Sonkar, Vijay Kumar; Singh, Vinod P.","A highly selective coumarin-based chemosensor for dual sensing of Cu<sup>2+</sup> and Zn<sup>2+</sup> ions with logic gate integration and live cell imaging.","Analytical methods : advancing methods and applications","2024","16","27","4551","4560","10.1039/d4ay00594e","","x-ray","1.54184","CuKα","","0.0821","0.0665","","","0.1947","0.2047","","","","","","1.054","","","","has coordinates","293668","2024-08-05","17:03:34",""
"1571589","23.0809","0.0005","25.7505","0.0006","28.4251","0.0007","91.029","0.001","94.284","0.001","92.462","0.001","16827.8","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C320 H290 Ag19 Au47 -","- C320 H290 Ag19 Au47 -","- C640 H580 Ag38 Au94 -","2","1","","Tang, Shisi; Wang, Endong; Wu, Yanzhen; Song, Tongxin; Zhou, Meng; Cai, Xiao; Gao, Yi; Ding, Weiping; Zhu, Yan","Diachronic evolvement from tetra-icosahedral to quasi-hexagonal close-packed bimetal clusters.","Chemical science","2024","15","22","8372","8379","10.1039/d4sc00942h","","x-ray","0.71073","MoKα","","0.1234","0.0669","","","0.1927","0.2251","","","","","","1.071","","","","has coordinates,has disorder","292864","2024-07-05","14:07:09",""
"1571590","21.3484","0.0014","29.2299","0.0019","40.094","0.003","79.787","0.001","75.632","0.001","89.066","0.001","23842","3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C470 H423 Ag24 Au60 -","- C470 H423 Ag24 Au60 -","- C940 H846 Ag48 Au120 -","2","1","","Tang, Shisi; Wang, Endong; Wu, Yanzhen; Song, Tongxin; Zhou, Meng; Cai, Xiao; Gao, Yi; Ding, Weiping; Zhu, Yan","Diachronic evolvement from tetra-icosahedral to quasi-hexagonal close-packed bimetal clusters.","Chemical science","2024","15","22","8372","8379","10.1039/d4sc00942h","","","0.71073","MoKα","","0.1451","0.0809","","","0.201","0.265","","","","","","1.19","","","","has coordinates","292864","2024-07-05","14:07:10",""
"1571591","4.7537","","5.7244","","4.9738","","90","","90.0801","","90","","135.347","","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","light wolframite","","","- Fe O4 W -","- Fe0.5 O4 W0.5 -","- Fe O8 W -","2","0.5","","Patil, Amitkumar R.; Dongale, Tukaram D.; Pedanekar, Rupesh S.; Sutar,Santosh S.; Kamat, Rajanish K.; Rajpure, Keshav Y.","Multilevel resistive switching in hydrothermally synthesized FeWO4 thin film-based memristive device for non-volatile memory application","Journal of Colloid and Interface Science","2024","669","","444","","10.1016/j.jcis.2024.04.222","","","","","","","","","","","","","","","","","","","","","has coordinates","291791","2024-05-09","05:04:28",""
"1571592","10.584","0.003","13.174","0.004","17.291","0.005","84.579","0.011","73.169","0.01","77.6","0.01","2252.5","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H48 Cl2 N2 O8 Pt -","- C49 H48 Cl2 N2 O8 Pt -","- C98 H96 Cl4 N4 O16 Pt2 -","2","1","","Zhang, Huilan; Chan, Michael Ho-Yeung; Lam, Jonathan; Chen, Ziyong; Leung, Ming-Yi; Wong, Eric Ka-Ho; Wu, Lixin; Yam, Vivian Wing-Wah","Supramolecular assembly of amphiphilic platinum(ii) Schiff base complexes: diverse spectroscopic changes and nanostructures through rational molecular design and solvent control.","Chemical science","2024","15","22","8545","8556","10.1039/d3sc06094b","","","0.71073","MoKα","","0.0391","0.0277","","","0.0604","0.0672","","","","","","1.048","","","","has coordinates,has disorder","292870","2024-07-05","14:09:11",""
"1571593","17.6473","0.0009","7.5383","0.0004","18.6063","0.0009","89.999","0.002","94.196","0.002","90.014","0.002","2468.6","0.2","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H49 N49 O49 -","- C136 H108 N4 O8 -","- C136 H108 N4 O8 -","1","0.5","","Khatun, Mst Nasima; Nandy, Satyendu; Roy, Hirakjyoti; Ghosh, Siddhartha Sankar; Kumar, Sachin; Iyer, Parameswar Krishnan","Sulphur-atom positional engineering in perylenimide: structure-property relationships and H-aggregation directed type-I photodynamic therapy.","Chemical science","2024","15","24","9298","9317","10.1039/d4sc01180e","","","0.71073","MoKα","","0.1893","0.0774","","","0.1928","0.2532","","","","","","1.02","","","","has coordinates","292860","2024-07-05","13:57:40",""
"1571594","7.3852","0.0005","11.7473","0.0008","16.5975","0.0011","83.044","0.002","84.88","0.002","77.501","0.002","1392.51","0.16","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 N O2 S2 -","- C36 H26 N O2 S2 -","- C72 H52 N2 O4 S4 -","2","1","","Khatun, Mst Nasima; Nandy, Satyendu; Roy, Hirakjyoti; Ghosh, Siddhartha Sankar; Kumar, Sachin; Iyer, Parameswar Krishnan","Sulphur-atom positional engineering in perylenimide: structure-property relationships and H-aggregation directed type-I photodynamic therapy.","Chemical science","2024","15","24","9298","9317","10.1039/d4sc01180e","","","0.71073","MoKα","","0.3126","0.1849","","","0.4237","0.5209","","","","","","1.509","","","","has coordinates","292860","2024-07-05","13:57:44",""
"1571595","8.766","0.006","11.916","0.008","15.464","0.011","101.43","0.02","92.94","0.02","111.2","0.02","1462.7","1.8","273","2","273","2","","","","","","","","5","P 1","P 1","1","","","","- C39 H29 N O2 S2 -","- C40 N O2 S2 -","- C80 N2 O4 S4 -","2","2","","Khatun, Mst Nasima; Nandy, Satyendu; Roy, Hirakjyoti; Ghosh, Siddhartha Sankar; Kumar, Sachin; Iyer, Parameswar Krishnan","Sulphur-atom positional engineering in perylenimide: structure-property relationships and H-aggregation directed type-I photodynamic therapy.","Chemical science","2024","15","24","9298","9317","10.1039/d4sc01180e","","","0.71073","MoKα","","0.3389","0.1608","","","0.3439","0.4551","","","","","","1.798","","","","has coordinates","292860","2024-07-05","13:57:52",""
"1571596","20.7","0.3","20.7","0.3","8.8","0.2","90","","90","","90","","3771","12","298","1","298","1","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C41 H30 N4 O -","- C41 H28 N4 -","- C164 H112 N16 -","4","0.25","VQ5005","Bourda, Laurens; Bhandary, Subhrajyoti; Ito, Sho; Göb, Christian R; Van Der Voort, Pascal; Van Hecke, Kristof","Analysis of COF-300 synthesis: probing degradation processes and 3D electron diffraction structure.","IUCrJ","2024","11","4","","","10.1107/S2052252524003713","","electron","0.0251","transmissionelectronmicroscope","","0.1808","0.1372","","","0.3425","0.3793","","","","","","1.316","","","","has coordinates","291819","2024-05-11","01:57:53",""
"1571597","7.1511","0.00013","10.90793","0.00019","17.7744","0.0003","90","","102.494","0.0019","90","","1353.63","0.04","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","YC5047","Zwolenik, A.; Tchoń, D; Makal, A.","Evolution of structure and spectroscopic properties of a new 1,3-diacetylpyrene polymorph with temperature and pressure.","IUCrJ","2024","11","4","","","10.1107/S2052252524003634","","x-ray","0.71073","MoKα","","0.0449","0.0254","","","0.0391","0.0421","","","","","","1.0435","","","","has coordinates","291821","2024-05-11","01:59:10",""
"1571598","7.235","0.0003","11.2573","0.0004","17.7365","0.0005","90","","103.701","0.003","90","","1403.47","0.09","293","1","293","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Zwolenik, A.; Tchoń, D; Makal, A.","Evolution of structure and spectroscopic properties of a new 1,3-diacetylpyrene polymorph with temperature and pressure.","IUCrJ","2024","11","4","","","10.1107/S2052252524003634","","","1.54184","CuKα","","0.0691","0.0538","","","0.1169","0.125","","","","","","1.0709","","","","has coordinates","291821","2024-05-11","01:59:11",""
"1571599","7.235","0.0003","11.2573","0.0004","17.7365","0.0005","90","","103.701","0.003","90","","1403.47","0.09","287","11","293","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Zwolenik, A.; Tchoń, D; Makal, A.","Evolution of structure and spectroscopic properties of a new 1,3-diacetylpyrene polymorph with temperature and pressure.","IUCrJ","2024","11","4","","","10.1107/S2052252524003634","","","1.54184","CuKα","","0.0572","0.042","","","0.0947","0.1037","","","","","","0.8879","","","","has coordinates","291821","2024-05-11","01:59:11",""
"1571600","6.9685","0.0002","10.7405","0.0004","17.5252","0.0006","90","","101.697","0.003","90","","1284.44","0.08","298","","298.15","","","","","","","Pressurized to 0.85 GPa.","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Zwolenik, A.; Tchoń, D; Makal, A.","Evolution of structure and spectroscopic properties of a new 1,3-diacetylpyrene polymorph with temperature and pressure.","IUCrJ","2024","11","4","","","10.1107/S2052252524003634","","","0.41618","synchrotron","","0.0622","0.0364","","","0.074","0.0851","","","","","","1.0995","","","","has coordinates","291821","2024-05-11","01:59:11",""
"1571601","6.9685","0.0002","10.7405","0.0004","17.5252","0.0006","90","","101.697","0.003","90","","1284.44","0.08","298","","298.15","","","","","","","Pressurized to 0.85 GPa.","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Zwolenik, A.; Tchoń, D; Makal, A.","Evolution of structure and spectroscopic properties of a new 1,3-diacetylpyrene polymorph with temperature and pressure.","IUCrJ","2024","11","4","","","10.1107/S2052252524003634","","","0.41618","synchrotron","","0.0604","0.0345","","","0.0695","0.0809","","","","","","1.0541","","","","has coordinates","291821","2024-05-11","01:59:11",""
"1571602","6.90862","0.00018","10.655","0.0005","17.4709","0.0007","90","","101.448","0.003","90","","1260.47","0.09","298","","298.15","","","","","","","Pressurized to 1.1 GPa.","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Zwolenik, A.; Tchoń, D; Makal, A.","Evolution of structure and spectroscopic properties of a new 1,3-diacetylpyrene polymorph with temperature and pressure.","IUCrJ","2024","11","4","","","10.1107/S2052252524003634","","","0.41618","synchrotron","","0.0816","0.0506","","","0.1249","0.1508","","","","","","1.0863","","","","has coordinates","291821","2024-05-11","01:59:11",""
"1571603","6.8196","0.001","10.5519","0.0014","17.3617","0.0017","90","","100.735","0.012","90","","1227.5","0.3","298","","571.15","","","","","","","Pressurized to 1.7 GPa.","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Zwolenik, A.; Tchoń, D; Makal, A.","Evolution of structure and spectroscopic properties of a new 1,3-diacetylpyrene polymorph with temperature and pressure.","IUCrJ","2024","11","4","","","10.1107/S2052252524003634","","","0.41618","synchrotron","","0.1533","0.099","","","0.2757","0.3359","","","","","","1.1178","","","","has coordinates","291821","2024-05-11","01:59:11",""
"1571604","18.5603","0.0002","10.2545","0.0001","7.7955","0.0001","90","","94.45","0.001","90","","1479.22","0.03","113.15","","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl F3 N2 O2 -","- C15 H10 Cl F3 N2 O2 -","- C60 H40 Cl4 F12 N8 O8 -","4","1","","Wu, Wenbo; Chen, Kui; Yu, Hui; Zhu, Jiaxuan; Feng, Yaoguang; Wang, Jingkang; Huang, Xin; Li, Liang; Hao, Hongxun; Wang, Ting; Wang, Na; Naumov, Panče","Trimodal operation of a robust smart organic crystal.","Chemical science","2024","15","24","9287","9297","10.1039/d4sc02152e","","x-ray","1.54184","CuKα","","0.0427","0.0385","","","0.1052","0.1093","","","","","","1.084","","","","has coordinates,has disorder","292861","2024-07-05","13:58:04",""
"1571605","18.6718","0.0016","10.1775","0.001","8.0982","0.0008","90","","92.583","0.003","90","","1537.4","0.3","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl F3 N2 O2 -","- C15 H10 Cl F3 N2 O2 -","- C60 H40 Cl4 F12 N8 O8 -","4","1","","Wu, Wenbo; Chen, Kui; Yu, Hui; Zhu, Jiaxuan; Feng, Yaoguang; Wang, Jingkang; Huang, Xin; Li, Liang; Hao, Hongxun; Wang, Ting; Wang, Na; Naumov, Panče","Trimodal operation of a robust smart organic crystal.","Chemical science","2024","15","24","9287","9297","10.1039/d4sc02152e","","x-ray","0.71073","MoKα","","0.0871","0.055","","","0.1189","0.1364","","","","","","1.027","","","","has coordinates,has disorder","292861","2024-07-05","13:58:13",""
"1571606","19.0164","0.0019","9.4918","0.0012","8.9166","0.0011","90","","85.985","0.01","90","","1605.5","0.3","374.4","","374.4","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl F3 N2 O2 -","- C8.57143 H5.71429 Cl0.571429 F1.71429 N1.14286 O1.14286 -","- C60 H40 Cl4 F12 N8 O8 -","7","1.75","","Wu, Wenbo; Chen, Kui; Yu, Hui; Zhu, Jiaxuan; Feng, Yaoguang; Wang, Jingkang; Huang, Xin; Li, Liang; Hao, Hongxun; Wang, Ting; Wang, Na; Naumov, Panče","Trimodal operation of a robust smart organic crystal.","Chemical science","2024","15","24","9287","9297","10.1039/d4sc02152e","","x-ray","1.54184","CuKα","","0.0956","0.0801","","","0.2936","0.3238","","","","","","1.21","","","","has coordinates","292861","2024-07-05","13:58:14",""
"1571607","18.847","0.006","10.089","0.003","8.313","0.002","90","","90.989","0.01","90","","1580.5","0.8","365","","365","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl F3 N2 O2 -","- C15 H10 Cl F3 N2 O2 -","- C60 H40 Cl4 F12 N8 O8 -","4","1","","Wu, Wenbo; Chen, Kui; Yu, Hui; Zhu, Jiaxuan; Feng, Yaoguang; Wang, Jingkang; Huang, Xin; Li, Liang; Hao, Hongxun; Wang, Ting; Wang, Na; Naumov, Panče","Trimodal operation of a robust smart organic crystal.","Chemical science","2024","15","24","9287","9297","10.1039/d4sc02152e","","x-ray","0.71073","MoKα","","0.1582","0.0677","","","0.1518","0.1986","","","","","","1.021","","","","has coordinates,has disorder","292861","2024-07-05","13:58:22",""
"1571608","18.8875","0.0003","8.26765","0.00014","19.4727","0.0003","90","","96.5615","0.0014","90","","3020.85","0.08","113.15","","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl F3 N2 O2 -","- C15 H10 Cl F3 N2 O2 -","- C120 H80 Cl8 F24 N16 O16 -","8","2","","Wu, Wenbo; Chen, Kui; Yu, Hui; Zhu, Jiaxuan; Feng, Yaoguang; Wang, Jingkang; Huang, Xin; Li, Liang; Hao, Hongxun; Wang, Ting; Wang, Na; Naumov, Panče","Trimodal operation of a robust smart organic crystal.","Chemical science","2024","15","24","9287","9297","10.1039/d4sc02152e","","x-ray","1.54184","CuKα","","0.0648","0.0622","","","0.1755","0.1767","","","","","","1.1","","","","has coordinates","292861","2024-07-05","13:58:22",""
"1571609","19.031","0.016","9.539","0.008","8.813","0.007","90","","86.26","0.03","90","","1596","2","380","","380","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl F3 N2 O2 -","- C15 H10 Cl F3 N2 O2 -","- C60 H40 Cl4 F12 N8 O8 -","4","1","","Wu, Wenbo; Chen, Kui; Yu, Hui; Zhu, Jiaxuan; Feng, Yaoguang; Wang, Jingkang; Huang, Xin; Li, Liang; Hao, Hongxun; Wang, Ting; Wang, Na; Naumov, Panče","Trimodal operation of a robust smart organic crystal.","Chemical science","2024","15","24","9287","9297","10.1039/d4sc02152e","","","0.71073","MoKα","","0.3019","0.1317","","","0.3205","0.4244","","","","","","1.055","","","","has coordinates,has disorder","292861","2024-07-05","13:58:22",""
"1571610","12.7862","0.0007","13.2072","0.0006","15.4523","0.0006","64.913","0.004","70.485","0.004","61.214","0.005","2043.3","0.2","179.99","0.1","179.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C90 H140 N4 O2 Sm2 -","- C90 H140 N4 O2 Sm2 -","- C90 H140 N4 O2 Sm2 -","1","0.5","","Wang, Yi; Zhang, Yurou; Liang, Jiefeng; Tan, Bowen; Deng, Chong; Huang, Wenliang","Neutral inverse-sandwich rare-earth metal complexes of the benzene tetraanion.","Chemical science","2024","15","23","8740","8749","10.1039/d4sc02491e","","","0.71073","MoKα","","0.0381","0.0304","","","0.0745","0.0775","","","","","","1.082","","","","has coordinates,has disorder","292920","2024-07-05","15:07:17",""
"1571611","10.8737","0.0004","11.7593","0.0005","18.5401","0.0008","98.6","0.004","93.568","0.003","92.844","0.003","2335.3","0.17","180","0.1","180","","","","","","","","","4","P -1","-P 1","2","","","","- C53 H67 N2 Sm -","- C53 H67 N2 Sm -","- C106 H134 N4 Sm2 -","2","1","","Wang, Yi; Zhang, Yurou; Liang, Jiefeng; Tan, Bowen; Deng, Chong; Huang, Wenliang","Neutral inverse-sandwich rare-earth metal complexes of the benzene tetraanion.","Chemical science","2024","15","23","8740","8749","10.1039/d4sc02491e","","","0.71073","MoKα","","0.0486","0.0412","","","0.1036","0.1071","","","","","","1.125","","","","has coordinates,has disorder","292920","2024-07-05","15:07:17",""
"1571612","12.5793","0.0004","21.9106","0.0006","15.8022","0.0004","90","","99.436","0.003","90","","4296.5","0.2","179.99","0.1","180","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H65 I2 N2 O Y -","- C41 H65 I2 N2 O Y -","- C164 H260 I8 N8 O4 Y4 -","4","1","","Wang, Yi; Zhang, Yurou; Liang, Jiefeng; Tan, Bowen; Deng, Chong; Huang, Wenliang","Neutral inverse-sandwich rare-earth metal complexes of the benzene tetraanion.","Chemical science","2024","15","23","8740","8749","10.1039/d4sc02491e","","","0.71073","MoKα","","0.1008","0.0662","","","0.1789","0.197","","","","","","1.077","","","","has coordinates,has disorder","292920","2024-07-05","15:07:17",""
"1571613","12.5729","0.0003","21.8852","0.0004","15.9583","0.0003","90","","99.806","0.002","90","","4326.94","0.16","180","0.1","180","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H65 I2 N2 O Sm -","- C41 H65 I2 N2 O Sm -","- C164 H260 I8 N8 O4 Sm4 -","4","1","","Wang, Yi; Zhang, Yurou; Liang, Jiefeng; Tan, Bowen; Deng, Chong; Huang, Wenliang","Neutral inverse-sandwich rare-earth metal complexes of the benzene tetraanion.","Chemical science","2024","15","23","8740","8749","10.1039/d4sc02491e","","","0.71073","MoKα","","0.048","0.0387","","","0.099","0.1038","","","","","","1.061","","","","has coordinates","292920","2024-07-05","15:07:17",""
"1571614","12.8287","0.0002","13.2492","0.0002","15.2084","0.0002","110.299","0.001","94.391","0.001","118.829","0.002","2028.27","0.08","179.99","0.1","179.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C88 H136 N4 O2 Sm2 -","- C88 H136 N4 O2 Sm2 -","- C88 H136 N4 O2 Sm2 -","1","0.5","","Wang, Yi; Zhang, Yurou; Liang, Jiefeng; Tan, Bowen; Deng, Chong; Huang, Wenliang","Neutral inverse-sandwich rare-earth metal complexes of the benzene tetraanion.","Chemical science","2024","15","23","8740","8749","10.1039/d4sc02491e","","","0.71073","MoKα","","0.0246","0.0219","","","0.0549","0.0558","","","","","","1.055","","","","has coordinates,has disorder","292920","2024-07-05","15:07:17",""
"1571615","14.4271","0.0004","17.8919","0.0004","16.0725","0.0004","90","","102.8","0.003","90","","4045.67","0.18","179.98","0.1","180","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H65 N2 Sm -","- C45 H65 N2 Sm -","- C180 H260 N8 Sm4 -","4","1","","Wang, Yi; Zhang, Yurou; Liang, Jiefeng; Tan, Bowen; Deng, Chong; Huang, Wenliang","Neutral inverse-sandwich rare-earth metal complexes of the benzene tetraanion.","Chemical science","2024","15","23","8740","8749","10.1039/d4sc02491e","","","0.71073","MoKα","","0.0437","0.0321","","","0.0792","0.0838","","","","","","1.055","","","","has coordinates","292920","2024-07-05","15:07:17",""
"1571616","22.0209","0.0006","13.3172","0.0003","25.7853","0.0006","90","","96.038","0.003","90","","7519.8","0.3","179.99","0.1","179.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C82 H124 N4 Y2 -","- C82 H124 N4 Y2 -","- C328 H496 N16 Y8 -","4","1","","Wang, Yi; Zhang, Yurou; Liang, Jiefeng; Tan, Bowen; Deng, Chong; Huang, Wenliang","Neutral inverse-sandwich rare-earth metal complexes of the benzene tetraanion.","Chemical science","2024","15","23","8740","8749","10.1039/d4sc02491e","","","0.71073","MoKα","","0.0895","0.0565","","","0.1473","0.1649","","","","","","1.047","","","","has coordinates","292920","2024-07-05","15:07:17",""
"1571617","28.8724","0.0005","21.9655","0.0002","25.9782","0.0004","90","","116.683","0.002","90","","14720.7","0.4","179.99","0.1","179.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H120 N4 Y2 -","- C80 H120 N4 Y2 -","- C640 H960 N32 Y16 -","8","2","","Wang, Yi; Zhang, Yurou; Liang, Jiefeng; Tan, Bowen; Deng, Chong; Huang, Wenliang","Neutral inverse-sandwich rare-earth metal complexes of the benzene tetraanion.","Chemical science","2024","15","23","8740","8749","10.1039/d4sc02491e","","","0.71073","MoKα","","0.1634","0.0833","","","0.1572","0.187","","","","","","1.033","","","","has coordinates","292920","2024-07-05","15:07:17",""
"1571618","11.5404","0.0005","16.0849","0.0006","20.2795","0.0008","90","","91.686","0.001","90","","3762.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H51 B10 N2 Si Ta -","- C34 H51 B10 N2 Si Ta -","- C136 H204 B40 N8 Si4 Ta4 -","4","1","","Yang, Jingting; Xu, Xin; Lin, Zhenyang; Xie, Zuowei","Metallaaromaticity involving a d<sup>0</sup> early transition metal centre: synthesis, structure, and aromaticity of tantallapyridinazirine complexes.","Chemical science","2024","15","21","7943","7948","10.1039/d4sc02629b","","","0.71073","MoKα","","0.0451","0.0289","","","0.0614","0.0682","","","","","","1.03","","","","has coordinates","292932","2024-07-05","15:09:25",""
"1571619","11.5786","0.0008","12.9866","0.001","26.895","0.002","90","","97.57","0.002","90","","4008.9","0.5","284","2","284","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H51 B10 N2 Ta -","- C35 H51 B10 N2 Ta -","- C140 H204 B40 N8 Ta4 -","4","1","","Yang, Jingting; Xu, Xin; Lin, Zhenyang; Xie, Zuowei","Metallaaromaticity involving a d<sup>0</sup> early transition metal centre: synthesis, structure, and aromaticity of tantallapyridinazirine complexes.","Chemical science","2024","15","21","7943","7948","10.1039/d4sc02629b","","","0.71073","MoKα","","0.0273","0.0232","","","0.0525","0.0542","","","","","","1.046","","","","has coordinates,has disorder","292932","2024-07-05","15:09:25",""
"1571620","9.3519","0.0004","17.5941","0.0008","28.9963","0.0013","90","","98.843","0.001","90","","4714.3","0.4","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41.5 H53 B10 N2 Ta -","- C41.5 H53 B10 N2 Ta -","- C166 H212 B40 N8 Ta4 -","4","1","","Yang, Jingting; Xu, Xin; Lin, Zhenyang; Xie, Zuowei","Metallaaromaticity involving a d<sup>0</sup> early transition metal centre: synthesis, structure, and aromaticity of tantallapyridinazirine complexes.","Chemical science","2024","15","21","7943","7948","10.1039/d4sc02629b","","","0.71073","MoKα","","0.0372","0.0331","","","0.0813","0.0834","","","","","","1.194","","","","has coordinates","292932","2024-07-05","15:09:25",""
"1571621","15.3128","0.0006","28.0479","0.001","28.7796","0.0011","90","","90","","90","","12360.6","0.8","260","","260","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H36 Au4 Fe2 N16 O2 -","- C64 H36 Au4 Fe2 N16 O2 -","- C512 H288 Au32 Fe16 N128 O16 -","8","1","","Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.","Chemical science","2024","15","24","9240","9248","10.1039/d4sc00331d","","","0.71073","MoKα","","0.0702","0.0468","","","0.0886","0.0959","","","","","","1.114","","","","has coordinates,has disorder","292863","2024-07-05","14:06:07",""
"1571622","15.3837","0.001","27.856","0.002","28.739","0.0019","90","","90","","90","","12315.5","1.4","259.99","0.1","259.99","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H36 Au4 N16 O2 Zn2 -","- C64 H36 Au4 N16 O2 Zn2 -","- C512 H288 Au32 N128 O16 Zn16 -","8","1","","Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.","Chemical science","2024","15","24","9240","9248","10.1039/d4sc00331d","","x-ray","0.71073","MoKα","","0.1751","0.0692","","","0.1174","0.1651","","","","","","1.044","","","","has coordinates,has disorder","292863","2024-07-05","14:06:17",""
"1571623","27.6016","0.0006","28.7074","0.0008","15.346","0.0005","90","","90","","90","","12159.7","0.6","202.99","0.1","202.99","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H36 Au4 Fe2 N16 O2 -","- C64 H36 Au4 Fe2 N16 O2 -","- C512 H288 Au32 Fe16 N128 O16 -","8","1","","Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.","Chemical science","2024","15","24","9240","9248","10.1039/d4sc00331d","","x-ray","0.71073","MoKα","","0.1351","0.0899","","","0.1755","0.1985","","","","","","1.163","","","","has coordinates,has disorder","292863","2024-07-05","14:06:18",""
"1571624","15.2903","0.001","27.605","0.002","28.6786","0.0016","90","","90","","90","","12104.9","1.4","197.99","0.1","197.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C128 H72 Au8 Fe4 N32 O4 -","- C128 H72 Au8 Fe4 N32 O4 -","- C512 H288 Au32 Fe16 N128 O16 -","4","1","","Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.","Chemical science","2024","15","24","9240","9248","10.1039/d4sc00331d","","x-ray","0.71073","MoKα","","0.1095","0.0698","","","0.1392","0.1636","","","","","","1.064","","","","has coordinates","292863","2024-07-05","14:06:18",""
"1571625","15.0208","0.0009","27.2962","0.0017","28.37","0.0017","90","","90","","90","","11632","1.2","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C128 H72 Au8 Fe4 N32 O4 -","- C128 H72 Au8 Fe4 N32 O4 -","- C512 H288 Au32 Fe16 N128 O16 -","4","1","","Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.","Chemical science","2024","15","24","9240","9248","10.1039/d4sc00331d","","","0.71073","MoKα","","0.0672","0.0401","","","0.0673","0.0717","","","","","","1.065","","","","has coordinates","292863","2024-07-05","14:06:18",""
"1571626","15.40415","0.00012","27.6501","0.0002","28.6347","0.0002","90","","90","","90","","12196.3","0.16","100.01","0.1","100.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H36 Au4 N16 O2 Zn2 -","- C64 H36 Au4 N16 O2 Zn2 -","- C512 H288 Au32 N128 O16 Zn16 -","8","1","","Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.","Chemical science","2024","15","24","9240","9248","10.1039/d4sc00331d","","x-ray","1.54184","CuKα","","0.0606","0.0547","","","0.1547","0.1578","","","","","","1.136","","","","has coordinates,has disorder","292863","2024-07-05","14:06:18",""
"1571627","15.40179","0.00012","27.7406","0.0002","28.6941","0.0002","90","","90","","90","","12259.7","0.16","198","0.1","198","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H36 Au4 N16 O2 Zn2 -","- C64 H36 Au4 N16 O2 Zn2 -","- C512 H288 Au32 N128 O16 Zn16 -","8","1","","Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.","Chemical science","2024","15","24","9240","9248","10.1039/d4sc00331d","","x-ray","1.54184","CuKα","","0.0373","0.0328","","","0.08","0.0819","","","","","","1.064","","","","has coordinates,has disorder","292863","2024-07-05","14:06:18",""
"1571628","15.0987","0.0008","27.5674","0.0015","28.487","0.0015","90","","90","","90","","11857.2","1.1","145","","145","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C128 H72 Au8 Fe4 N32 O4 -","- C128 H72 Au8 Fe4 N32 O4 -","- C512 H288 Au32 Fe16 N128 O16 -","4","1","","Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.","Chemical science","2024","15","24","9240","9248","10.1039/d4sc00331d","","x-ray","0.71073","MoKα","","0.0439","0.0328","","","0.0624","0.0649","","","","","","1.045","","","","has coordinates","292863","2024-07-05","14:06:18",""
"1571629","15.40483","0.00013","27.6851","0.0002","28.6645","0.0002","90","","90","","90","","12225","0.16","145","0.1","145","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H36 Au4 N16 O2 Zn2 -","- C64 H36 Au4 N16 O2 Zn2 -","- C512 H288 Au32 N128 O16 Zn16 -","8","1","","Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.","Chemical science","2024","15","24","9240","9248","10.1039/d4sc00331d","","x-ray","1.54184","CuKα","","0.0513","0.0458","","","0.1359","0.1388","","","","","","1.116","","","","has coordinates,has disorder","292863","2024-07-05","14:06:18",""
"1571630","15.4294","0.00011","27.7081","0.0002","28.7128","0.0002","90","","90","","90","","12275.3","0.15","203","0.1","203","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H36 Au4 N16 O2 Zn2 -","- C64 H36 Au4 N16 O2 Zn2 -","- C512 H288 Au32 N128 O16 Zn16 -","8","1","","Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.","Chemical science","2024","15","24","9240","9248","10.1039/d4sc00331d","","x-ray","1.54184","CuKα","","0.0739","0.07","","","0.1371","0.1386","","","","","","1.299","","","","has coordinates,has disorder","292863","2024-07-05","14:06:18",""
"1571631","10.3144","0.0003","12.2204","0.0004","13.0932","0.0004","90","","92.946","0.001","90","","1648.17","0.09","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N O3 S -","- C17 H21 N O3 S -","- C68 H84 N4 O12 S4 -","4","1","","Ning, Chao; Yu, Ziqi; Shi, Min; Wei, Yin","Palladium-catalyzed selective C-C bond cleavage of keto-vinylidenecyclopropanes: construction of structurally rich dihydrofurans and tetrahydrofurans.","Chemical science","2024","15","24","9192","9200","10.1039/d4sc02536a","","","0.71073","MoKα","","0.0579","0.0479","","","0.1211","0.1291","","","","","","1.059","","","","has coordinates,has disorder","292859","2024-07-05","13:57:28",""
"1571632","19.7752","0.0008","9.1254","0.0003","11.5285","0.0004","90","","96.477","0.001","90","","2067.12","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cl N O3 S2 -","- C20 H22 Cl N O3 S2 -","- C80 H88 Cl4 N4 O12 S8 -","4","1","","Ning, Chao; Yu, Ziqi; Shi, Min; Wei, Yin","Palladium-catalyzed selective C-C bond cleavage of keto-vinylidenecyclopropanes: construction of structurally rich dihydrofurans and tetrahydrofurans.","Chemical science","2024","15","24","9192","9200","10.1039/d4sc02536a","","","0.71073","MoKα","","0.0522","0.0429","","","0.1105","0.1191","","","","","","1.066","","","","has coordinates,has disorder","292859","2024-07-05","13:57:29",""
"1571633","8.6934","0.0001","21.4946","0.0004","12.5425","0.0002","90","","94.276","0.001","90","","2337.18","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H24 B N -","- C33 H24 B N -","- C132 H96 B4 N4 -","4","1","","Qin, Xiaoli; Huang, Lin; Zhan, Ziying; Fu, Peng; Wang, Qing; Zhang, Congyang; Huang, Jianhui; Ding, Zhifeng","Enhancing corannulene chemiluminescence, electrochemiluminescence and photoluminescence by means of an azabora-helicene to slow down its bowl inversion.","Chemical science","2024","15","25","9657","9668","10.1039/d4sc01524j","","x-ray","1.54184","CuKα","","0.068","0.0542","","","0.1578","0.1709","","","","","","1.033","","","","has coordinates","292900","2024-07-05","15:00:58",""
"1571634","7.4071","0.0001","15.896","0.0001","21.0437","0.0002","90","","90","","90","","2477.75","0.04","120","0.1","120","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 F N O3 S -","- C30 H24 F N O3 S -","- C120 H96 F4 N4 O12 S4 -","4","1","","Ewing, Paul M. D. A.; Majhi, Pankaj Kumar; Prentice, Callum; Young, Claire M.; van Rees, Karlotta; Arnold, Polly L.; Zysman-Colman, Eli; Smith, Andrew D.","α-Phenylthioaldehydes for the effective generation of acyl azolium and azolium enolate intermediates.","Chemical science","2024","15","24","9369","9375","10.1039/d3sc06879j","","x-ray","1.54184","CuKα","","0.0458","0.0446","","","0.1167","0.1183","","","","","","1.048","","","","has coordinates","292852","2024-07-05","13:55:04",""
"1571635","10.7079","0.0001","19.7519","0.0002","21.8828","0.0002","75.619","0.001","85.37","0.001","82.816","0.001","4442.08","0.08","169.98","0.1","169.98","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C94 H78 Cl12 N4 O2 S4 -","- C94 H78 Cl12 N4 O2 S4 -","- C188 H156 Cl24 N8 O4 S8 -","2","1","","Wang, Jianxiao; Li, Yonghai; Han, Chenyu; Chen, Liangliang; Bi, Fuzhen; Hu, Zunyuan; Yang, Chunming; Bao, Xichang; Chu, Junhao","All-polymer solar cells with 19% efficiency via introducing pincer-shaped non-covalent bond interactions","Energy & Environmental Science","2024","17","12","4216","4227","10.1039/D4EE01117A","","x-ray","1.54184","CuKα","","0.0522","0.0461","","","0.1235","0.1286","","","","","","1.062","","","","has coordinates,has disorder","293160","2024-07-05","17:22:22",""
"1571636","9.5504","0.0004","9.6216","0.0004","14.9202","0.0005","76.429","0.003","78.195","0.003","70.242","0.004","1242.47","0.09","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H28 O6 -","- C30 H28 O6 -","- C60 H56 O12 -","2","1","","Samadder, Prodipta; Naim, Khalid; Sahoo, Subash Chandra; Neelakandan, Prakash P.","Surface coating induced room-temperature phosphorescence in flexible organic single crystals.","Chemical science","2024","15","24","9258","9265","10.1039/d4sc01708k","","x-ray","0.71073","MoKα","","0.0785","0.0487","","","0.1127","0.1303","","","","","","1.037","","","","has coordinates","292850","2024-07-05","13:54:25",""
"1571637","20.709","0.003","14.9107","0.0019","22.817","0.003","90","","107.434","0.003","90","","6721.9","1.6","193","2","193","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C42.75 H34 -","- C42.75 H34 -","- C342 H272 -","8","2","","Gisbert, Yohan; Simón Marqués, Pablo; Baccini, Caterina; Abid, Seifallah; Saffon-Merceron, Nathalie; Rapenne, Gwénaël; Kammerer, Claire","Copper-catalysed perarylation of cyclopentadiene: synthesis of hexaarylcyclopentadienes.","Chemical science","2024","15","24","9127","9137","10.1039/d4sc02458c","","","0.71073","MoKα","","0.1533","0.0666","","","0.1665","0.2174","","","","","","1.045","","","","has coordinates,has disorder","292854","2024-07-05","13:55:36",""
"1571638","20.644","0.0013","13.3024","0.0008","21.865","0.002","90","","111.818","0.002","90","","5574.3","0.7","193","2","193","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C65 H78 -","- C65 H78 -","- C260 H312 -","4","0.5","","Gisbert, Yohan; Simón Marqués, Pablo; Baccini, Caterina; Abid, Seifallah; Saffon-Merceron, Nathalie; Rapenne, Gwénaël; Kammerer, Claire","Copper-catalysed perarylation of cyclopentadiene: synthesis of hexaarylcyclopentadienes.","Chemical science","2024","15","24","9127","9137","10.1039/d4sc02458c","","","0.71073","MoKα","","0.0783","0.0565","","","0.1462","0.1645","","","","","","1.019","","","","has coordinates,has disorder","292854","2024-07-05","13:55:37",""
"1571639","10.6181","0.0005","10.9815","0.0006","16.4791","0.0009","100.65","0.002","106.059","0.0019","91.5785","0.0019","1808.41","0.17","193","2","193","2","","","","","","","","2","P -1","-P 1","2","","","","- C47 H38 -","- C47 H38 -","- C94 H76 -","2","1","","Gisbert, Yohan; Simón Marqués, Pablo; Baccini, Caterina; Abid, Seifallah; Saffon-Merceron, Nathalie; Rapenne, Gwénaël; Kammerer, Claire","Copper-catalysed perarylation of cyclopentadiene: synthesis of hexaarylcyclopentadienes.","Chemical science","2024","15","24","9127","9137","10.1039/d4sc02458c","","","0.71073","MoKα","","0.1002","0.0575","","","0.153","0.1796","","","","","","1.016","","","","has coordinates","292854","2024-07-05","13:55:37",""
"1571640","11.2444","0.0006","11.592","0.0006","15.4587","0.0008","88.4787","0.0018","85.8921","0.0018","62.0337","0.0016","1775.04","0.16","193","2","193","2","","","","","","","","2","P -1","-P 1","2","","","","- C47 H42 -","- C47 H42 -","- C94 H84 -","2","1","","Gisbert, Yohan; Simón Marqués, Pablo; Baccini, Caterina; Abid, Seifallah; Saffon-Merceron, Nathalie; Rapenne, Gwénaël; Kammerer, Claire","Copper-catalysed perarylation of cyclopentadiene: synthesis of hexaarylcyclopentadienes.","Chemical science","2024","15","24","9127","9137","10.1039/d4sc02458c","","","0.71073","MoKα","","0.0836","0.0571","","","0.1437","0.1624","","","","","","1.038","","","","has coordinates,has disorder","292854","2024-07-05","13:55:37",""
"1571641","12.2669","0.0007","12.7915","0.0006","18.0256","0.0009","106.574","0.002","99.595","0.002","90.608","0.002","2667.9","0.2","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C65.25 H74.5 Cl0.5 -","- C65.25 H74.5 Cl0.5 -","- C130.5 H149 Cl -","2","1","","Gisbert, Yohan; Simón Marqués, Pablo; Baccini, Caterina; Abid, Seifallah; Saffon-Merceron, Nathalie; Rapenne, Gwénaël; Kammerer, Claire","Copper-catalysed perarylation of cyclopentadiene: synthesis of hexaarylcyclopentadienes.","Chemical science","2024","15","24","9127","9137","10.1039/d4sc02458c","","","0.71073","MoKα","","0.0767","0.0593","","","0.1594","0.1743","","","","","","1.043","","","","has coordinates,has disorder","292854","2024-07-05","13:55:37",""
"1571642","9.6243","0.0003","11.6276","0.0005","13.5153","0.0006","90.8439","0.0016","106.956","0.0014","109.296","0.0014","1355.07","0.1","193","2","193","2","","","","","","","","2","P -1","-P 1","2","","","","- C41 H28 -","- C41 H28 -","- C82 H56 -","2","1","","Gisbert, Yohan; Simón Marqués, Pablo; Baccini, Caterina; Abid, Seifallah; Saffon-Merceron, Nathalie; Rapenne, Gwénaël; Kammerer, Claire","Copper-catalysed perarylation of cyclopentadiene: synthesis of hexaarylcyclopentadienes.","Chemical science","2024","15","24","9127","9137","10.1039/d4sc02458c","","","0.71073","MoKα","","0.0558","0.0478","","","0.1234","0.13","","","","","","1.053","","","","has coordinates","292854","2024-07-05","13:55:37",""
"1571643","13.3948","0.0006","14.7194","0.0006","20.6475","0.0009","100.057","0.002","93.842","0.002","115.215","0.002","3580.5","0.3","193","2","193","2","","","","","","","","2","P -1","-P 1","2","","","","- C47 H42 -","- C47 H42 -","- C188 H168 -","4","2","","Gisbert, Yohan; Simón Marqués, Pablo; Baccini, Caterina; Abid, Seifallah; Saffon-Merceron, Nathalie; Rapenne, Gwénaël; Kammerer, Claire","Copper-catalysed perarylation of cyclopentadiene: synthesis of hexaarylcyclopentadienes.","Chemical science","2024","15","24","9127","9137","10.1039/d4sc02458c","","","1.54178","CuKα","","0.0819","0.0586","","","0.147","0.1636","","","","","","1.026","","","","has coordinates","292854","2024-07-05","13:55:37",""
"1571644","10.9046","0.0006","14.0514","0.0006","24.7528","0.0015","90","","94.09","0.002","90","","3783.1","0.3","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C47 H42 O6 -","- C47 H42 O6 -","- C188 H168 O24 -","4","1","","Gisbert, Yohan; Simón Marqués, Pablo; Baccini, Caterina; Abid, Seifallah; Saffon-Merceron, Nathalie; Rapenne, Gwénaël; Kammerer, Claire","Copper-catalysed perarylation of cyclopentadiene: synthesis of hexaarylcyclopentadienes.","Chemical science","2024","15","24","9127","9137","10.1039/d4sc02458c","","","0.71073","MoKα","","0.0748","0.0572","","","0.1364","0.1488","","","","","","1.033","","","","has coordinates","292854","2024-07-05","13:55:37",""
"1571645","10.256","0.002","20.262","0.004","29.739","0.006","94.02","0.03","93.18","0.03","103.46","0.03","5979","2","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C41 H29 F -","- C41 H29 F -","- C328 H232 F8 -","8","4","","Gisbert, Yohan; Simón Marqués, Pablo; Baccini, Caterina; Abid, Seifallah; Saffon-Merceron, Nathalie; Rapenne, Gwénaël; Kammerer, Claire","Copper-catalysed perarylation of cyclopentadiene: synthesis of hexaarylcyclopentadienes.","Chemical science","2024","15","24","9127","9137","10.1039/d4sc02458c","","","0.71073","MoKα","","0.1758","0.0817","","","0.1658","0.2102","","","","","","1.06","","","","has coordinates,has disorder","292854","2024-07-05","13:55:37",""
"1571646","13.0897","0.0001","13.0897","0.0001","60.7234","0.0012","90","","90","","120","","9010.4","0.2","273","2","273","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B180 Ba12 K84 O360 Sc24 -","- B180 Ba12 K84 O360 Sc24 -","- B180 Ba12 K84 O360 Sc24 -","1","0.0555556","","Li, Shuaifeng; Li, Weiming; Li, Xiang; Yang, Guangsai; Ye, Ning; Hu, Zhanggui; Wu, Yicheng; Li, Conggang","A bifunctional primitive strategy induces enhancements of large second harmonic generation and wide UV transmittance in rare-earth borates containing [B<sub>5</sub>O<sub>10</sub>] groups.","Chemical science","2024","15","23","8959","8965","10.1039/d4sc01853b","","","0.71073","MoKα","","0.0311","0.0251","","","0.0571","0.06","","","","","","1.053","","","","has coordinates","292925","2024-07-05","15:07:58",""
"1571647","13.367","0.003","13.367","0.003","14.906","0.003","90","0.03","90","0.03","120","0.03","2306.5","1.1","273","2","273","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- B45 Ba0 O90 Rb21 Sc5.2 Sr3.8 -","- B45 O90 Rb21 Sc5.199 Sr3.801 -","- B45 O90 Rb21 Sc5.199 Sr3.801 -","1","0.0555556","","Li, Shuaifeng; Li, Weiming; Li, Xiang; Yang, Guangsai; Ye, Ning; Hu, Zhanggui; Wu, Yicheng; Li, Conggang","A bifunctional primitive strategy induces enhancements of large second harmonic generation and wide UV transmittance in rare-earth borates containing [B<sub>5</sub>O<sub>10</sub>] groups.","Chemical science","2024","15","23","8959","8965","10.1039/d4sc01853b","","","0.71073","MoKα","","0.0189","0.0168","","","0.038","0.0387","","","","","","1.099","","","","has coordinates","292925","2024-07-05","15:07:59",""
"1571648","15.17387","0.00007","18.69703","0.00008","16.12642","0.00007","90","","98.0083","0.0004","90","","4530.55","0.03","294.7","0.7","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Ru(phen)2phi](PF6)2","bis(1,10-phenanthroline)-(phenanthrenediamine)-ruthenium hexafluorophosphate","","- C38 H26 F0.05 N6 P0.05 Ru -","- C8 H5.8 F2.4 N1.4 P0.4 Ru0.2 -","- C160 H116 F48 N28 P8 Ru4 -","20","5","","Prieto Otoya, Tayler D.; McQuaid, Kane T.; Paterson, Neil G.; Cardin, David J.; Kellett, Andrew; Cardin, Christine J.","Re-pairing DNA: binding of a ruthenium phi complex to a double mismatch.","Chemical science","2024","15","24","9096","9103","10.1039/d4sc01448k","","x-ray","1.54184","CuKα","","0.0522","0.0491","","","0.191","0.1989","","","","","","0.938","","","","has coordinates","292856","2024-07-05","13:56:26",""
"1571649","29.6682","0.0014","17.7115","0.0009","34.7181","0.0018","90","","114.038","0.002","90","","16661.1","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C108 H72 Au25 F18 S18 -","- C108 H72 Au25 F18 S18 -","- C432 H288 Au100 F72 S72 -","4","0.5","","Gratious, Saniya; Afreen, ?; Mahal, Eti; Thomas, Jibin; Saha, Shubhadeep; Nair, Akhil S.; Adarsh, K. V.; Pathak, Biswarup; Mandal, Sukhendu","""Visualizing"" the partially reversible conversion of gold nanoclusters <i>via</i> the Au<sub>23</sub>(S-<i>c</i>-C<sub>6</sub>H<sub>11</sub>)<sub>17</sub> intermediate.","Chemical science","2024","15","25","9823","9829","10.1039/d4sc01225a","","","0.71073","MoKα","","0.061","0.0598","","","0.1446","0.1451","","","","","","1.167","","","","has coordinates,has disorder","292897","2024-07-05","14:59:55",""
"1571650","18.9192","0.0002","25.1964","0.0004","43.0574","0.0005","90","","90","","90","","20525.3","0.5","93","2","93","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C70 H134 Cl4 Mo9 N9 O31 P -","- C70 H134 Cl4 Mo9 N9 O31 P -","- C560 H1072 Cl32 Mo72 N72 O248 P8 -","8","1","","Sun, Haoran; Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Yamaguchi, Kazuya; Suzuki, Kosuke","Self-assembled molecular hybrids comprising lacunary polyoxometalates and multidentate imidazole ligands.","Chemical science","2024","15","24","9281","9286","10.1039/d4sc02384f","","x-ray","0.71073","MoKα","","0.0865","0.054","","","0.1368","0.1583","","","","","","1.033","","","","has coordinates","292857","2024-07-05","13:56:58",""
"1571651","27.1448","0.0003","27.3825","0.0003","29.9056","0.0005","90","","100.611","0.0013","90","","21848.5","0.5","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C92 H154 Cl8 Mo18 N15 O62 P2 -","- C92 H154 Cl8 Mo18 N15 O62 P2 -","- C368 H616 Cl32 Mo72 N60 O248 P8 -","4","1","","Sun, Haoran; Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Yamaguchi, Kazuya; Suzuki, Kosuke","Self-assembled molecular hybrids comprising lacunary polyoxometalates and multidentate imidazole ligands.","Chemical science","2024","15","24","9281","9286","10.1039/d4sc02384f","","x-ray","0.4142","synchrotron","","0.0879","0.0645","","","0.1795","0.1922","","","","","","1.033","","","","has coordinates,has disorder","292857","2024-07-05","13:56:59",""
"1571652","39.2789","0.0003","39.2789","0.0003","32.7662","0.0005","90","","90","","90","","50552.7","0.9","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C60 H48 Mo36 N24 O124 P4 -","- C60 H48 Mo36 N24 O124 P4 -","- C240 H192 Mo144 N96 O496 P16 -","4","0.25","","Sun, Haoran; Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Yamaguchi, Kazuya; Suzuki, Kosuke","Self-assembled molecular hybrids comprising lacunary polyoxometalates and multidentate imidazole ligands.","Chemical science","2024","15","24","9281","9286","10.1039/d4sc02384f","","","0.4151","Synchrotron","","0.0935","0.0641","","","0.1987","0.2196","","","","","","1.073","","","","has coordinates,has disorder","292857","2024-07-05","13:56:59",""
"1571653","18.2063","0.0002","23.9584","0.0002","27.3167","0.0003","85.3618","0.0008","74.6634","0.0009","87.3652","0.0008","11449.7","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C120 H215 Cl4 Mo18 N32 O62 P2 -","- C120 H215 Cl4 Mo18 N32 O62 P2 -","- C240 H430 Cl8 Mo36 N64 O124 P4 -","2","1","","Sun, Haoran; Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Yamaguchi, Kazuya; Suzuki, Kosuke","Self-assembled molecular hybrids comprising lacunary polyoxometalates and multidentate imidazole ligands.","Chemical science","2024","15","24","9281","9286","10.1039/d4sc02384f","","","0.4142","Synchrotron","","0.0817","0.0644","","","0.1876","0.1999","","","","","","1.083","","","","has coordinates,has disorder","292857","2024-07-05","13:56:59",""
"1571654","18.8686","0.0002","5.4367","0.0001","22.9849","0.0002","90","","94.932","0.001","90","","2349.13","0.05","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H62 N2 O10 S2 -","- C48 H62 N2 O10 S2 -","- C96 H124 N4 O20 S4 -","2","1","","Yang, Hao-Ran; Cheng, Xiang; Chang, Xin; Wang, Zuo-Fei; Dong, Xiu-Qin; Wang, Chun-Jiang","Copper/ruthenium relay catalysis enables 1,6-double chiral inductions with stereodivergence","Chemical Science","2024","15","26","10135","10145","10.1039/D4SC01804D","","x-ray","1.54184","CuKα","","0.037","0.0362","","","0.0984","0.0991","","","","","","1.036","","","","has coordinates","292877","2024-07-05","14:13:21",""
"1571655","12.6662","0.0004","5.6008","0.0001","36.635","0.0011","90","","116.175","0.004","90","","2332.4","0.14","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H31 N O5 S -","- C24 H31 N O5 S -","- C96 H124 N4 O20 S4 -","4","2","","Yang, Hao-Ran; Cheng, Xiang; Chang, Xin; Wang, Zuo-Fei; Dong, Xiu-Qin; Wang, Chun-Jiang","Copper/ruthenium relay catalysis enables 1,6-double chiral inductions with stereodivergence","Chemical Science","2024","15","26","10135","10145","10.1039/D4SC01804D","","x-ray","1.54184","CuKα","","0.0791","0.0615","","","0.1559","0.171","","","","","","0.984","","","","has coordinates","292877","2024-07-05","14:13:23",""
"1571656","19.052","0.002","13.3058","0.0015","13.995","0.002","90","","99.388","0.008","90","","3500.2","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H41 B20 N2 Rh S2 -","- C22 H41 B20 N2 Rh S2 -","- C88 H164 B80 N8 Rh4 S8 -","4","1","","Liu, Xin-Ran; Cui, Peng-Fei; García-Rodeja, Yago; Solà, Miquel; Jin, Guo-Xin","Formation and reactivity of a unique M⋯C-H interaction stabilized by carborane cages.","Chemical science","2024","15","24","9274","9280","10.1039/d4sc01158a","","","1.34139","GaKα","","0.1225","0.0767","","","0.1908","0.2238","","","","","","1.099","","","","has coordinates","292848","2024-07-05","13:54:05",""
"1571657","11.6139","0.0005","13.1923","0.0006","13.5261","0.0006","98.948","0.002","101.424","0.002","91.727","0.002","2002.63","0.15","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C23 H42 B20 F3 Ir N2 O3 S3 -","- C23 H42 B20 F3 Ir N2 O3 S3 -","- C46 H84 B40 F6 Ir2 N4 O6 S6 -","2","1","","Liu, Xin-Ran; Cui, Peng-Fei; García-Rodeja, Yago; Solà, Miquel; Jin, Guo-Xin","Formation and reactivity of a unique M⋯C-H interaction stabilized by carborane cages.","Chemical science","2024","15","24","9274","9280","10.1039/d4sc01158a","","","1.34138","GaKα","","0.0431","0.0384","","","0.0958","0.1","","","","","","1.1","","","","has coordinates,has disorder","292848","2024-07-05","13:54:05",""
"1571658","12.1157","0.0011","13.1515","0.0012","15.8884","0.0014","102.935","0.004","95.742","0.005","111.659","0.004","2246.1","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H52 B20 N5 Rh S2 -","- C27 H52 B20 N5 Rh S2 -","- C54 H104 B40 N10 Rh2 S4 -","2","1","","Liu, Xin-Ran; Cui, Peng-Fei; García-Rodeja, Yago; Solà, Miquel; Jin, Guo-Xin","Formation and reactivity of a unique M⋯C-H interaction stabilized by carborane cages.","Chemical science","2024","15","24","9274","9280","10.1039/d4sc01158a","","","1.54178","CuKα","","0.0326","0.0291","","","0.0685","0.0704","","","","","","1.041","","","","has coordinates","292848","2024-07-05","13:54:05",""
"1571659","19.1073","0.0006","13.3046","0.0004","13.9712","0.0004","90","","99.297","0.001","90","","3505.03","0.18","174","2","174","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17.6 H32.8 B16 Ir0.8 N1.6 S1.6 -","- C17.6 H32.8 B16 Ir0.8 N1.6 S1.6 -","- C88 H164 B80 Ir4 N8 S8 -","5","1.25","","Liu, Xin-Ran; Cui, Peng-Fei; García-Rodeja, Yago; Solà, Miquel; Jin, Guo-Xin","Formation and reactivity of a unique M⋯C-H interaction stabilized by carborane cages.","Chemical science","2024","15","24","9274","9280","10.1039/d4sc01158a","","","1.34139","GaKα","","0.038","0.0357","","","0.1137","0.1171","","","","","","1.067","","","","has coordinates","292848","2024-07-05","13:54:05",""
"1571660","11.6103","0.0011","13.1824","0.0013","13.5411","0.0013","99.204","0.004","101.43","0.004","91.527","0.004","2001.6","0.3","173","2","173","","","","","","","","","8","P -1","-P 1","2","","","","- C23 H42 B20 F3 N2 O3 Rh S3 -","- C23 H42 B20 F3 N2 O3 Rh S3 -","- C46 H84 B40 F6 N4 O6 Rh2 S6 -","2","1","","Liu, Xin-Ran; Cui, Peng-Fei; García-Rodeja, Yago; Solà, Miquel; Jin, Guo-Xin","Formation and reactivity of a unique M⋯C-H interaction stabilized by carborane cages.","Chemical science","2024","15","24","9274","9280","10.1039/d4sc01158a","","","1.34139","GaKα","","0.0595","0.0438","","","0.0906","0.1036","","","","","","1.096","","","","has coordinates,has disorder","292848","2024-07-05","13:54:05",""
"1571661","31.1627","0.0009","12.4318","0.0003","14.5172","0.0004","90","","107.595","0.002","90","","5361","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H28 B20 N2 S2 -","- C12 H28 B20 N2 S2 -","- C96 H224 B160 N16 S16 -","8","1","","Liu, Xin-Ran; Cui, Peng-Fei; García-Rodeja, Yago; Solà, Miquel; Jin, Guo-Xin","Formation and reactivity of a unique M⋯C-H interaction stabilized by carborane cages.","Chemical science","2024","15","24","9274","9280","10.1039/d4sc01158a","","","1.54178","CuKα","","0.0797","0.0633","","","0.1794","0.1932","","","","","","1.028","","","","has coordinates","292848","2024-07-05","13:54:05",""
"1571662","10.9098","0.0009","25.502","0.002","31.388","0.003","90","","90","","90","","8732.8","1.3","193","2","193","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H43 B30 Cl4 N3 S3 -","- C16 H41 B30 Cl2 N3 S3 -","- C128 H328 B240 Cl16 N24 S24 -","8","1","","Liu, Xin-Ran; Cui, Peng-Fei; García-Rodeja, Yago; Solà, Miquel; Jin, Guo-Xin","Formation and reactivity of a unique M⋯C-H interaction stabilized by carborane cages.","Chemical science","2024","15","24","9274","9280","10.1039/d4sc01158a","","","1.34139","GaKα","","0.2144","0.144","","","0.377","0.4114","","","","","","1.053","","","","has coordinates,has disorder","292848","2024-07-05","13:54:05",""
"1571663","17.6388","0.0006","18.5304","0.0007","24.0367","0.0009","91.778","0.002","91.812","0.002","103.901","0.001","7616.5","0.5","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C90 H158 B60 Ir6 N6 S6 -","- C90 H158 B60 Ir6 N6 S6 -","- C180 H316 B120 Ir12 N12 S12 -","2","1","","Liu, Xin-Ran; Cui, Peng-Fei; García-Rodeja, Yago; Solà, Miquel; Jin, Guo-Xin","Formation and reactivity of a unique M⋯C-H interaction stabilized by carborane cages.","Chemical science","2024","15","24","9274","9280","10.1039/d4sc01158a","","","1.34139","GaKα","","0.0472","0.0395","","","0.0973","0.1016","","","","","","1.036","","","","has coordinates","292848","2024-07-05","13:54:05",""
"1571664","28.8469","0.0004","28.8469","0.0004","28.8469","0.0004","90","","90","","90","","24004.8","0.6","298","2","298","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C24 H18 Cu3 N10 O2 -","- C24 H18 Cu3 N10 O1.9999 -","- C384 H288 Cu48 N160 O31.9984 -","16","0.333333","","Wu, Ying; Liang, Gang; Li, Wen-Bin; Zhong, Xiao-Feng; Zhang, Yang-Yang; Ye, Jia-Wen; Yang, Tao; Mo, Zong-Wen; Chen, Xiao-Ming","Boosting the degradation of antibiotics <i>via</i> peroxymonosulfate activation with a Cu-based metal-organic framework.","Chemical science","2024","15","25","9733","9741","10.1039/d4sc02850c","","x-ray","1.54184","CuKα","","0.0396","0.0289","","","0.0601","0.0634","","","","","","0.884","","","","has coordinates","292894","2024-07-05","14:59:04",""
"1571665","6.3691","0.0001","12.0175","0.0002","9.083","0.0002","90","","108.989","0.002","90","","657.39","0.02","106","2","106","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C30 H44 O6 -","2","1","","Song, Yongxiang; Wang, Wengui; Yang, Jiafan; Gao, Dewei; Billingsley, John M.; Wang, Songtao; Zhu, Yiguang; Wang, Junfeng; Ju, Jianhua; Yan, Yan; Tang, Yi","β-Terrecyclene synthase constructs the quadrane backbone in terrecyclic acid biosynthesis.","Chemical science","2024","15","23","8750","8755","10.1039/d4sc01208a","","x-ray","1.54184","CuKα","","0.0283","0.0277","","","0.0734","0.0737","","","","","","1.069","","","","has coordinates","292926","2024-07-05","15:08:14",""
"1571666","6.4548","0.0001","17.2854","0.0003","12.2879","0.0002","90","","90","","90","","1371.01","0.04","106","5","106","5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Song, Yongxiang; Wang, Wengui; Yang, Jiafan; Gao, Dewei; Billingsley, John M.; Wang, Songtao; Zhu, Yiguang; Wang, Junfeng; Ju, Jianhua; Yan, Yan; Tang, Yi","β-Terrecyclene synthase constructs the quadrane backbone in terrecyclic acid biosynthesis.","Chemical science","2024","15","23","8750","8755","10.1039/d4sc01208a","","x-ray","1.54184","CuKα","","0.0924","0.091","","","0.2571","0.2585","","","","","","1.13","","","","has coordinates,has disorder","292926","2024-07-05","15:08:15",""
"1571667","6.549","0.004","5.673","0.003","5.3115","0.0003","90","","90","","90","","197.34","0.16","295","1","295","1","","","","","","","","3","P m n 21","P 2ac -2","31","","","Zn3MoN4","- Mo N4 Zn3 -","- Mo N4 Zn3 -","- Mo2 N8 Zn6 -","2","0.5","","Rom, Christopher L.; O'Donnell, Shaun; Huang, Kayla; Klein, Ryan A.; Kramer, Morgan J.; Smaha, Rebecca W.; Zakutayev, Andriy","Low-temperature synthesis of cation-ordered bulk Zn<sub>3</sub>WN<sub>4</sub> semiconductor <i>via</i> heterovalent solid-state metathesis.","Chemical science","2024","15","25","9709","9718","10.1039/d4sc00322e","","","0.1821","synchrotron","","","","","","","","","","1.796","","","","","","","has coordinates","292893","2024-07-05","14:58:53",""
"1571668","6.5602","0.0008","5.6813","0.0007","5.3235","0.0002","90","","90","","90","","198.41","0.04","295","1","295","1","","","","","","","","3","P m n 21","P 2ac -2","31","","","Zn3WN4","- N8 W1.66 Zn6.34 -","- N8 W1.66 Zn6.34 -","- N8 W1.66 Zn6.34 -","1","0.25","","Rom, Christopher L.; O'Donnell, Shaun; Huang, Kayla; Klein, Ryan A.; Kramer, Morgan J.; Smaha, Rebecca W.; Zakutayev, Andriy","Low-temperature synthesis of cation-ordered bulk Zn<sub>3</sub>WN<sub>4</sub> semiconductor <i>via</i> heterovalent solid-state metathesis.","Chemical science","2024","15","25","9709","9718","10.1039/d4sc00322e","","","0.1821","synchrotron","","","","","","","","","","1.885","","","","","","","has coordinates","292893","2024-07-05","14:58:54",""
"1571669","10.9922","0.0002","11.1557","0.0002","16.1415","0.0003","90","","90","","90","","1979.36","0.06","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O3 S -","- C23 H23 N O3 S -","- C92 H92 N4 O12 S4 -","4","1","","Wu, Yafei; Wang, Zhuo; Shan, Yuqian; Ma, Yukun; Li, Teng; Yuan, Chunhao; Guo, Hongchao; Mao, Biming","Palladium-catalyzed asymmetric [4 + 3] cycloaddition of methylene-trimethylenemethane: access to seven-membered exocyclic axially chiral allenes.","Chemical science","2024","15","25","9703","9708","10.1039/d4sc01649a","","","1.54178","CuKα","","0.0589","0.0588","","","0.1291","0.1293","","","","","","1.133","","","","has coordinates","292896","2024-07-05","14:59:45",""
"1571670","7.7942","0.0001","10.2718","0.0001","25.9536","0.0004","90","","90","","90","","2077.86","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O3 S -","- C23 H23 N O3 S -","- C92 H92 N4 O12 S4 -","4","1","","Wu, Yafei; Wang, Zhuo; Shan, Yuqian; Ma, Yukun; Li, Teng; Yuan, Chunhao; Guo, Hongchao; Mao, Biming","Palladium-catalyzed asymmetric [4 + 3] cycloaddition of methylene-trimethylenemethane: access to seven-membered exocyclic axially chiral allenes.","Chemical science","2024","15","25","9703","9708","10.1039/d4sc01649a","","x-ray","1.54184","CuKα","","0.077","0.0729","","","0.1902","0.194","","","","","","1.152","","","","has coordinates","292896","2024-07-05","14:59:46",""
"1571671","15.4014","0.0002","15.4014","0.0002","19.1444","0.0005","90","","90","","90","","4541.11","0.14","100","2","100","2","","","","","","","","6","I 4/m c m","-I 4 2c","140","","","","- C26 H27 F N2 O8 Zn2 -","- C26 H27 F N2 O8 Zn2 -","- C104 H108 F4 N8 O32 Zn8 -","4","0.125","","Di, Tuo; Yoshida, Yukihiro; Otake, Ken-Ichi; Kitagawa, Susumu; Kitagawa, Hiroshi","Increased CO<sub>2</sub>/N<sub>2</sub> selectivity by stepwise fluorination in isoreticular ultramicroporous metal-organic frameworks.","Chemical science","2024","15","25","9641","9648","10.1039/d4sc01525h","","","0.71075","MoKα","","0.0408","0.0387","","","0.1226","0.124","","","","","","1.169","","","","has coordinates,has disorder","292899","2024-07-05","15:00:49",""
"1571672","10.9257","0.0002","10.9257","0.0002","9.5984","0.0003","90","","90","","90","","1145.77","0.05","100","2","100","2","","","","","","","","6","P 4/m m m","-P 4 2","123","","","","- C26 H26 F2 N2 O8 Zn2 -","- C26 H26 F2 N2 O8 Zn2 -","- C26 H26 F2 N2 O8 Zn2 -","1","0.0625","","Di, Tuo; Yoshida, Yukihiro; Otake, Ken-Ichi; Kitagawa, Susumu; Kitagawa, Hiroshi","Increased CO<sub>2</sub>/N<sub>2</sub> selectivity by stepwise fluorination in isoreticular ultramicroporous metal-organic frameworks.","Chemical science","2024","15","25","9641","9648","10.1039/d4sc01525h","","","0.71075","MoKα","","0.0584","0.0576","","","0.1878","0.1884","","","","","","1.21","","","","has coordinates,has disorder","292899","2024-07-05","15:00:51",""
"1571673","4.6536","0.0003","8.2542","0.0003","13.682","0.0006","78.092","0.004","82.801","0.004","85.469","0.004","509.42","0.04","298","","298","","","","","","","","","6","P -1","-P 1","2","","<i>trans</i>-Dichloridobis(secnidazole-κ<i>N</i>^3^)copper(II)","","- C14 H22 Cl2 Cu N6 O6 -","- C14 H22 Cl2 Cu N6 O6 -","- C14 H22 Cl2 Cu N6 O6 -","1","0.5","BX4028","Angel-Nieto, Ismael; Arroyo-Carmona, Rosa Elena; Pérez-Benítez, Aarón; Aguirre-Hernández, Gerardo; Bernès, Sylvain","trans-Dichloridobis(secnidazole-κN 3)copper(II)","IUCrData","2024","9","5","","","10.1107/S2414314624003766","","x-ray","0.71073","MoKα","","0.0604","0.0413","","","0.0963","0.1075","","","","","","1.048","","","","has coordinates","291953","2024-05-18","01:59:00",""
"1571674","4.3286","0.0008","21.334","0.004","9.2941","0.0016","90","","93.744","0.004","90","","856.4","0.3","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 2-hydroxy-4-iodobenzoate","","- C8 H7 I O3 -","- C8 H7 I O3 -","- C32 H28 I4 O12 -","4","1","HB4468","Kimble, Marten J.; Myers, Shea D.; Benedict, Jason B.","Methyl 2-hydroxy-4-iodobenzoate","IUCrData","2024","9","5","","","10.1107/S2414314624003948","","","0.71073","MoKα","","0.0349","0.0299","","","0.0559","0.0574","","","","","","1.111","","","","has coordinates","291954","2024-05-18","01:59:13",""
"1571675","9.189","0.0004","12.6757","0.0006","10.9694","0.0005","90","","114.013","0.002","90","","1167.1","0.09","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H27 N5 O4 S -","- C22 H27 N5 O4 S -","- C44 H54 N10 O8 S2 -","2","1","","Rehman, Zainab; Lubay, Jairah; Franks, W. Trent Trent; Corlett, Emily; Nguyen, Bao; Scrivens, Garry; Samas, Brian; Frericks-Schmidt, Heather; Brown, Steven P.","Organic NMR Crystallography: Enabling Progress for Applications to Pharmaceuticals and Plant Cell Walls","Faraday Discussions","2024","","","","","10.1039/D4FD00088A","","","1.54178","CuKα","","0.0225","0.0217","","","0.0556","0.0561","","","","","","1.08","","","","has coordinates","291963","2024-05-20","23:11:13",""
"1571676","11.3465","0.0002","12.5357","0.0002","13.0549","0.0002","109.944","0.002","101.745","0.001","105.832","0.001","1586.41","0.06","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","Cr(OSi(tBu)3)2(XyNC)4","","- C60 H90 Cr N4 O8 Si2 -","- C60 H90 Cr N4 O8 Si2 -","- C60 H90 Cr N4 O8 Si2 -","1","0.5","","Kakiuchi, Yuya; Shapovalova, Svetlana; Protsenko, Bogdan; Guda, Sergey; Safonova, Olga V.; Guda, Alexander; Copéret, Christophe","Influence of strong π-acceptor ligands on Cr-K-edge X-ray absorption spectral signatures and consequences for the interpretation of surface sites in the Phillips catalyst.","Catalysis science & technology","2024","14","13","3682","3690","10.1039/d3cy01692g","","x-ray","1.54184","CuKα","","0.0336","0.0322","","","0.1089","0.1118","","","","","","0.996","","","","has coordinates","292756","2024-07-05","12:58:40",""
"1571677","10.928","0.0004","28.6868","0.001","14.0779","0.0006","90","","110.037","0.005","90","","4146.1","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Cr(O(tBu)2C6H3)2(XyNC)2","","- C46 H60 Cr N2 O2 -","- C46 H60 Cr N2 O2 -","- C184 H240 Cr4 N8 O8 -","4","1","","Kakiuchi, Yuya; Shapovalova, Svetlana; Protsenko, Bogdan; Guda, Sergey; Safonova, Olga V.; Guda, Alexander; Copéret, Christophe","Influence of strong π-acceptor ligands on Cr-K-edge X-ray absorption spectral signatures and consequences for the interpretation of surface sites in the Phillips catalyst.","Catalysis science & technology","2024","14","13","3682","3690","10.1039/d3cy01692g","","x-ray","1.54184","CuKα","","0.068","0.0612","","","0.1456","0.1488","","","","","","1.108","","","","has coordinates","292756","2024-07-05","12:58:42",""
"1571678","13.1907","0.0003","20.8362","0.0005","23.4449","0.0006","90","","90","","90","","6443.7","0.3","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Cr(OSi(tBu)3)3(XyNC)2","","- C54 H99 Cr N2 O12 Si3 -","- C54 H99 Cr N2 O12 Si3 -","- C216 H396 Cr4 N8 O48 Si12 -","4","1","","Kakiuchi, Yuya; Shapovalova, Svetlana; Protsenko, Bogdan; Guda, Sergey; Safonova, Olga V.; Guda, Alexander; Copéret, Christophe","Influence of strong π-acceptor ligands on Cr-K-edge X-ray absorption spectral signatures and consequences for the interpretation of surface sites in the Phillips catalyst.","Catalysis science & technology","2024","14","13","3682","3690","10.1039/d3cy01692g","","x-ray","1.54184","CuKα","","0.0854","0.0835","","","0.1905","0.1915","","","","","","1.104","","","","has coordinates,has disorder","292756","2024-07-05","12:58:42",""
"1571679","9.8065","0.0002","12.5029","0.0003","16.1592","0.0003","90","","95.599","0.002","90","","1971.82","0.07","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(5-Fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-ido-κ<i>N</i>^1^)(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)zinc(II) perchlorate","","- C14 H26 Cl F N6 O6 Zn -","- C14 H26 Cl F N6 O6 Zn -","- C56 H104 Cl4 F4 N24 O24 Zn4 -","4","1","BT4149","Ichimaru, Yoshimi; Kato, Koichi; Jin, Wanchun; Kurihara, Masaaki; Kurosaki, Hiromasa","(5-Fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-ido-κN 1)(1,4,8,11-tetraazacyclotetradecane-κ4 N)zinc(II) perchlorate","IUCrData","2024","9","5","","","10.1107/S2414314624004310","","x-ray","1.54184","CuKα","","0.0645","0.0635","","","0.1773","0.1785","","","","","","1.106","","","","has coordinates","291983","2024-05-22","02:00:18",""
"1571680","16.9122","0.0007","16.9122","0.0007","31.516","0.003","90","","90","","90","","9014.3","1","273","2","273","2","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C118 H138 Cu4 F24 N32 Zr4 -","- C118 H138 Cu4 F24 N32 Zr4 -","- C236 H276 Cu8 F48 N64 Zr8 -","2","0.125","","Li, Yi; Wu, Yanxin; Zhao, Jiaxin; Duan, Jingui; Jin, Wanqin","Systemic regulation of binding sites in porous coordination polymers for ethylene purification from ternary C2 hydrocarbons.","Chemical science","2024","15","24","9318","9324","10.1039/d4sc02659d","","","0.71073","MoKα","","0.0507","0.0447","","","0.1279","0.1323","","","","","","1.127","","","","has coordinates,has disorder","292855","2024-07-05","13:56:10",""
"1571681","16.7225","0.0005","16.7225","0.0005","31.858","0.0014","90","","90","","90","","8908.8","0.5","301","2","301","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C29 H24 Cu F12 N8 O0 Zr -","- C29 H24 Cu F12 N8 Zr -","- C232 H192 Cu8 F96 N64 Zr8 -","8","0.5","","Li, Yi; Wu, Yanxin; Zhao, Jiaxin; Duan, Jingui; Jin, Wanqin","Systemic regulation of binding sites in porous coordination polymers for ethylene purification from ternary C2 hydrocarbons.","Chemical science","2024","15","24","9318","9324","10.1039/d4sc02659d","","","0.71073","MoKα","","0.0918","0.0713","","","0.1896","0.1967","","","","","","1.347","","","","has coordinates,has disorder","292855","2024-07-05","13:56:11",""
"1571682","16.8758","0.0002","16.8758","0.0002","31.7415","0.0011","90","","90","","90","","9039.7","0.3","293","2","293","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C27 H25 Cu F12 N8 O0 Zr -","- C27 H25 Cu F12 N10 Zr -","- C216 H200 Cu8 F96 N80 Zr8 -","8","0.5","","Li, Yi; Wu, Yanxin; Zhao, Jiaxin; Duan, Jingui; Jin, Wanqin","Systemic regulation of binding sites in porous coordination polymers for ethylene purification from ternary C2 hydrocarbons.","Chemical science","2024","15","24","9318","9324","10.1039/d4sc02659d","","","0.71073","MoKα","","0.0405","0.0356","","","0.1015","0.1035","","","","","","1.169","","","","has coordinates","292855","2024-07-05","13:56:11",""
"1571683","17.0131","0.0003","17.0131","0.0003","31.454","0.0013","90","","90","","90","","9104.2","0.4","296","2","296","2","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C118 H124 Cu4 F24 N32 Zr4 -","- C118 H124 Cu4 F24 N32 Zr4 -","- C236 H248 Cu8 F48 N64 Zr8 -","2","0.125","","Li, Yi; Wu, Yanxin; Zhao, Jiaxin; Duan, Jingui; Jin, Wanqin","Systemic regulation of binding sites in porous coordination polymers for ethylene purification from ternary C2 hydrocarbons.","Chemical science","2024","15","24","9318","9324","10.1039/d4sc02659d","","","0.71073","MoKα","","0.0495","0.044","","","0.1393","0.144","","","","","","1.182","","","","has coordinates,has disorder","292855","2024-07-05","13:56:11",""
"1571684","17.1374","0.0009","17.1374","0.0009","31.4","0.003","90","","90","","90","","9221.9","1.1","273","2","273","2","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C26 H24 Cu F6 N8 Zr -","- C26 H24 Cu F6 N8 Zr -","- C208 H192 Cu8 F48 N64 Zr8 -","8","0.5","","Li, Yi; Wu, Yanxin; Zhao, Jiaxin; Duan, Jingui; Jin, Wanqin","Systemic regulation of binding sites in porous coordination polymers for ethylene purification from ternary C2 hydrocarbons.","Chemical science","2024","15","24","9318","9324","10.1039/d4sc02659d","","","0.71073","MoKα","","0.0388","0.0337","","","0.0906","0.093","","","","","","1.072","","","","has coordinates","292855","2024-07-05","13:56:11",""
"1571685","17.105","0.003","17.105","0.003","31.249","0.011","90","","90","","90","","9143","4","273","2","273","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C118 H108 Cu4 F24 N32 O16 Zr4 -","- C118 H108 Cu4 F24 N32 O16 Zr4 -","- C236 H216 Cu8 F48 N64 O32 Zr8 -","2","0.125","","Li, Yi; Wu, Yanxin; Zhao, Jiaxin; Duan, Jingui; Jin, Wanqin","Systemic regulation of binding sites in porous coordination polymers for ethylene purification from ternary C2 hydrocarbons.","Chemical science","2024","15","24","9318","9324","10.1039/d4sc02659d","","","0.71073","MoKα","","0.1107","0.0662","","","0.1793","0.212","","","","","","1.116","","","","has coordinates,has disorder","292855","2024-07-05","13:56:11",""
"1571686","16.8824","0.0016","16.8824","0.0016","31.921","0.006","90","","90","","90","","9098","2","273","2","273","2","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C26 H18 Cu F12 N8 Zr -","- C26 H18 Cu F12 N8 Zr -","- C208 H144 Cu8 F96 N64 Zr8 -","8","0.5","","Li, Yi; Wu, Yanxin; Zhao, Jiaxin; Duan, Jingui; Jin, Wanqin","Systemic regulation of binding sites in porous coordination polymers for ethylene purification from ternary C2 hydrocarbons.","Chemical science","2024","15","24","9318","9324","10.1039/d4sc02659d","","","0.71073","MoKα","","0.0451","0.0409","","","0.1314","0.1338","","","","","","1.064","","","","has coordinates","292855","2024-07-05","13:56:11",""
"1571687","16.9799","0.0005","16.9799","0.0005","31.1337","0.0011","90","","90","","90","","8976.4","0.5","273","2","273","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C118 H122 Cu4 F24 N32 O16 Zr4 -","- C118 H122 Cu4 F24 N32 O16 Zr4 -","- C236 H244 Cu8 F48 N64 O32 Zr8 -","2","0.125","","Li, Yi; Wu, Yanxin; Zhao, Jiaxin; Duan, Jingui; Jin, Wanqin","Systemic regulation of binding sites in porous coordination polymers for ethylene purification from ternary C2 hydrocarbons.","Chemical science","2024","15","24","9318","9324","10.1039/d4sc02659d","","","0.71073","MoKα","","0.0648","0.0562","","","0.1682","0.1769","","","","","","1.192","","","","has coordinates,has disorder","292855","2024-07-05","13:56:11",""
"1571688","5.4676","0.0008","10.7252","0.0015","26.292","0.004","90","","90","","90","","1541.8","0.4","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Cl O -","- C19 H15 Cl O -","- C76 H60 Cl4 O4 -","4","1","","Wang, Xunhua; Lv, Ruifeng; Li, Xiaoxun","Kinetic resolution of 1-(1-alkynyl)cyclopropyl ketones <i>via</i> gold-catalyzed divergent (4 + 4) cycloadditions: stereoselective access to furan fused eight-membered heterocycles.","Chemical science","2024","15","24","9361","9368","10.1039/d4sc02763a","","x-ray","1.54178","CuKα","","0.0595","0.0481","","","0.1196","0.1274","","","","","","1.013","","","","has coordinates","292862","2024-07-05","13:58:34",""
"1571689","7.228","0.002","10.686","0.003","25.745","0.007","90","","90","","90","","1988.5","1","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 F N O2 -","- C26 H20 F N O2 -","- C104 H80 F4 N4 O8 -","4","1","","Wang, Xunhua; Lv, Ruifeng; Li, Xiaoxun","Kinetic resolution of 1-(1-alkynyl)cyclopropyl ketones <i>via</i> gold-catalyzed divergent (4 + 4) cycloadditions: stereoselective access to furan fused eight-membered heterocycles.","Chemical science","2024","15","24","9361","9368","10.1039/d4sc02763a","","","1.54178","CuKα","","0.0303","0.0299","","","0.0786","0.079","","","","","","1.062","","","","has coordinates","292862","2024-07-05","13:58:35",""
"1571690","12.1952","0.0003","12.2266","0.0003","12.7568","0.0004","78.461","0.002","62.446","0.003","64.147","0.003","1517.58","0.09","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H32 O6 -","- C40 H32 O6 -","- C80 H64 O12 -","2","1","","Wang, Xunhua; Lv, Ruifeng; Li, Xiaoxun","Kinetic resolution of 1-(1-alkynyl)cyclopropyl ketones <i>via</i> gold-catalyzed divergent (4 + 4) cycloadditions: stereoselective access to furan fused eight-membered heterocycles.","Chemical science","2024","15","24","9361","9368","10.1039/d4sc02763a","","x-ray","1.54184","CuKα","","0.0611","0.0496","","","0.1226","0.1296","","","","","","1.055","","","","has coordinates","292862","2024-07-05","13:58:35",""
"1571691","9.75307","0.00009","16.23315","0.00013","18.76027","0.00018","90","","90","","90","","2970.18","0.05","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H21 N O -","- C18 H21 N O -","- C144 H168 N8 O8 -","8","1","","Sui, Xianwei; Dang, Hang T.; Porey, Arka; Trevino, Ramon; Das, Arko; Fremin, Seth O.; Hughes, William B.; Thompson, William T.; Dhakal, Shree Krishna; Arman, Hadi D.; Larionov, Oleg V.","Acridine photocatalysis enables tricomponent direct decarboxylative amine construction.","Chemical science","2024","15","25","9582","9590","10.1039/d4sc02356k","","x-ray","1.54184","CuKα","","0.0381","0.0348","","","0.0899","0.0928","","","","","","1.019","","","","has coordinates","292902","2024-07-05","15:01:21",""
"1571692","5.64642","0.00005","20.42415","0.00018","13.59672","0.00011","90","","92.2646","0.0007","90","","1566.79","0.02","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N -","- C20 H25 N -","- C80 H100 N4 -","4","1","","Sui, Xianwei; Dang, Hang T.; Porey, Arka; Trevino, Ramon; Das, Arko; Fremin, Seth O.; Hughes, William B.; Thompson, William T.; Dhakal, Shree Krishna; Arman, Hadi D.; Larionov, Oleg V.","Acridine photocatalysis enables tricomponent direct decarboxylative amine construction.","Chemical science","2024","15","25","9582","9590","10.1039/d4sc02356k","","x-ray","1.54184","CuKα","","0.0418","0.0389","","","0.0995","0.1021","","","","","","1.041","","","","has coordinates","292902","2024-07-05","15:01:21",""
"1571693","9.2584","0.0002","9.9261","0.0002","11.8278","0.0003","93.448","0.002","90.414","0.002","96.639","0.002","1077.62","0.04","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H34 N2 O2 -","- C25 H34 N2 O2 -","- C50 H68 N4 O4 -","2","1","","Sui, Xianwei; Dang, Hang T.; Porey, Arka; Trevino, Ramon; Das, Arko; Fremin, Seth O.; Hughes, William B.; Thompson, William T.; Dhakal, Shree Krishna; Arman, Hadi D.; Larionov, Oleg V.","Acridine photocatalysis enables tricomponent direct decarboxylative amine construction.","Chemical science","2024","15","25","9582","9590","10.1039/d4sc02356k","","x-ray","1.54184","CuKα","","0.0579","0.0521","","","0.1251","0.1297","","","","","","1.022","","","","has coordinates,has disorder","292902","2024-07-05","15:01:21",""
"1571694","5.71447","0.00011","17.9506","0.0003","16.3618","0.0003","90","","99.38","0.002","90","","1655.92","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N O -","- C21 H23 N O -","- C84 H92 N4 O4 -","4","1","","Sui, Xianwei; Dang, Hang T.; Porey, Arka; Trevino, Ramon; Das, Arko; Fremin, Seth O.; Hughes, William B.; Thompson, William T.; Dhakal, Shree Krishna; Arman, Hadi D.; Larionov, Oleg V.","Acridine photocatalysis enables tricomponent direct decarboxylative amine construction.","Chemical science","2024","15","25","9582","9590","10.1039/d4sc02356k","","x-ray","1.54184","CuKα","","0.0472","0.0409","","","0.1009","0.1053","","","","","","1.051","","","","has coordinates","292902","2024-07-05","15:01:21",""
"1571695","8.8935","0.0002","14.9861","0.0004","16.6162","0.0003","112.739","0.002","90.306","0.002","103.676","0.002","1972.96","0.09","100.01","0.15","100.01","0.15","","","","","","","","4","P -1","-P 1","2","","","","- C23 H29 N O3 -","- C23 H29 N O3 -","- C92 H116 N4 O12 -","4","2","","Sui, Xianwei; Dang, Hang T.; Porey, Arka; Trevino, Ramon; Das, Arko; Fremin, Seth O.; Hughes, William B.; Thompson, William T.; Dhakal, Shree Krishna; Arman, Hadi D.; Larionov, Oleg V.","Acridine photocatalysis enables tricomponent direct decarboxylative amine construction.","Chemical science","2024","15","25","9582","9590","10.1039/d4sc02356k","","x-ray","1.54184","CuKα","","0.0883","0.0783","","","0.1685","0.1732","","","","","","1.073","","","","has coordinates","292902","2024-07-05","15:01:21",""
"1571696","5.9523","0.0006","13.5277","0.0014","9.0395","0.0009","90","","104.324","0.003","90","","705.24","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C36 H34 N2 O4 -","2","1","","Kilgallon, Landon J.; McFadden, Timothy P.; Sigman, Matthew S.; Johnson, Jeremiah A.","Tricyclononenes and tricyclononadienes as efficient monomers for controlled ROMP: understanding structure-propagation rate relationships and enabling facile post-polymerization modification.","Chemical science","2024","15","22","8334","8345","10.1039/d4sc01986e","","","1.54178","CuKα","","0.0277","0.0276","","","0.0707","0.0708","","","","","","1.053","","","","has coordinates","292865","2024-07-05","14:07:25",""
"1571697","7.5018","0.0006","10.4685","0.0007","9.002","0.0007","90","","108.336","0.004","90","","671.06","0.09","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C36 H34 N2 O4 -","2","0.5","","Kilgallon, Landon J.; McFadden, Timothy P.; Sigman, Matthew S.; Johnson, Jeremiah A.","Tricyclononenes and tricyclononadienes as efficient monomers for controlled ROMP: understanding structure-propagation rate relationships and enabling facile post-polymerization modification.","Chemical science","2024","15","22","8334","8345","10.1039/d4sc01986e","","","1.54178","CuKα","","0.0517","0.0478","","","0.1273","0.1306","","","","","","1.071","","","","has coordinates","292865","2024-07-05","14:07:28",""
"1571698","7.9853","0.0011","11.7489","0.0017","10.3831","0.0015","90","","103.886","0.006","90","","945.7","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 O5 -","- C11 H10 O5 -","- C44 H40 O20 -","4","1","","Kilgallon, Landon J.; McFadden, Timothy P.; Sigman, Matthew S.; Johnson, Jeremiah A.","Tricyclononenes and tricyclononadienes as efficient monomers for controlled ROMP: understanding structure-propagation rate relationships and enabling facile post-polymerization modification.","Chemical science","2024","15","22","8334","8345","10.1039/d4sc01986e","","","0.71073","MoKα","","0.0553","0.0469","","","0.1192","0.1269","","","","","","1.028","","","","has coordinates","292865","2024-07-05","14:07:38",""
"1571699","7.3505","0.0006","9.0364","0.0006","18.556","0.0014","89.703","0.004","88.498","0.004","82.907","0.004","1222.67","0.16","193","","193","","","","","","","","","6","P -1","-P 1","2","A2H3OInCl6,H2O","A2H3OInCl6,H2O","","- C16 H25 Cl6 In N2 O4 -","- C16 H25 Cl6 In N2 O4 -","- C32 H50 Cl12 In2 N4 O8 -","2","1","","Zhou, Lei; Li, Kailei; Chang, Yuanyuan; Yao, Yuan; Peng, Yuqi; Li, Ming; He, Rongxing","High-efficiency color-tunable ultralong room-temperature phosphorescence from organic–inorganic metal halides via synergistic inter/intramolecular interactions","Chemical Science","2024","15","26","10046","10055","10.1039/D4SC01630K","","x-ray","1.34139","GaKα","","0.0844","0.0694","","","0.1914","0.2136","","","","","","1.035","","","","has coordinates","292873","2024-07-05","14:10:24",""
"1571700","4.8984","0.0002","15.8013","0.0006","10.8025","0.0005","90","","102.614","0.002","90","","815.94","0.06","193","","193","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ACl","ACl","","- C8 H10 Cl N O -","- C8 H10 Cl N O -","- C32 H40 Cl4 N4 O4 -","4","1","","Zhou, Lei; Li, Kailei; Chang, Yuanyuan; Yao, Yuan; Peng, Yuqi; Li, Ming; He, Rongxing","High-efficiency color-tunable ultralong room-temperature phosphorescence from organic–inorganic metal halides via synergistic inter/intramolecular interactions","Chemical Science","2024","15","26","10046","10055","10.1039/D4SC01630K","","x-ray","1.34139","GaKα","","0.0634","0.0517","","","0.1422","0.1503","","","","","","1.07","","","","has coordinates","292873","2024-07-05","14:10:26",""
"1571701","4.9287","0.0002","16.2486","0.0006","10.9152","0.0004","90","","102.485","0.001","90","","853.47","0.06","198","","198","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Abr","ABr","","- C8 H10 Br N O -","- C8 H10 Br N O -","- C32 H40 Br4 N4 O4 -","4","1","","Zhou, Lei; Li, Kailei; Chang, Yuanyuan; Yao, Yuan; Peng, Yuqi; Li, Ming; He, Rongxing","High-efficiency color-tunable ultralong room-temperature phosphorescence from organic–inorganic metal halides via synergistic inter/intramolecular interactions","Chemical Science","2024","15","26","10046","10055","10.1039/D4SC01630K","","x-ray","1.54178","CuKα","","0.0275","0.0262","","","0.0713","0.0719","","","","","","1.083","","","","has coordinates","292873","2024-07-05","14:10:34",""
"1571702","7.5012","0.0002","17.0754","0.0004","17.8494","0.0006","90","","101.815","0.001","90","","2237.82","0.11","193","","193","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","A2ZnBr4,H2O","A2ZnBr4,H2O","","- C16 H22 Br4 N2 O3 Zn -","- C16 H22 Br4 N2 O3 Zn -","- C64 H88 Br16 N8 O12 Zn4 -","4","1","","Zhou, Lei; Li, Kailei; Chang, Yuanyuan; Yao, Yuan; Peng, Yuqi; Li, Ming; He, Rongxing","High-efficiency color-tunable ultralong room-temperature phosphorescence from organic–inorganic metal halides via synergistic inter/intramolecular interactions","Chemical Science","2024","15","26","10046","10055","10.1039/D4SC01630K","","x-ray","0.71073","MoKα","","0.0263","0.0209","","","0.0475","0.0492","","","","","","1.051","","","","has coordinates","292873","2024-07-05","14:10:34",""
"1571703","9.3919","0.0006","11.4149","0.0007","11.0818","0.0006","90","","108.353","0.002","90","","1127.62","0.12","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","A2SnCl6","A2SnCl6","","- C16 H20 Cl6 N2 O2 Sn -","- C16 H20 Cl6 N2 O2 Sn -","- C32 H40 Cl12 N4 O4 Sn2 -","2","0.5","","Zhou, Lei; Li, Kailei; Chang, Yuanyuan; Yao, Yuan; Peng, Yuqi; Li, Ming; He, Rongxing","High-efficiency color-tunable ultralong room-temperature phosphorescence from organic–inorganic metal halides via synergistic inter/intramolecular interactions","Chemical Science","2024","15","26","10046","10055","10.1039/D4SC01630K","","","0.71073","MoKα","","0.0328","0.0278","","","0.0678","0.07","","","","","","1.254","","","","has coordinates","292873","2024-07-05","14:10:34",""
"1571704","7.308","0.003","16.775","0.008","17.665","0.008","90","","101.133","0.012","90","","2124.8","1.6","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","A2ZnCl4,H2O","A2ZnCl4,H2O","","- C16 H22 Cl4 N2 O3 Zn -","- C16 H22 Cl4 N2 O3 Zn -","- C64 H88 Cl16 N8 O12 Zn4 -","4","1","","Zhou, Lei; Li, Kailei; Chang, Yuanyuan; Yao, Yuan; Peng, Yuqi; Li, Ming; He, Rongxing","High-efficiency color-tunable ultralong room-temperature phosphorescence from organic–inorganic metal halides via synergistic inter/intramolecular interactions","Chemical Science","2024","15","26","10046","10055","10.1039/D4SC01630K","","","0.71073","MoKα","","0.1386","0.0781","","","0.1267","0.1465","","","","","","1.078","","","","has coordinates","292873","2024-07-05","14:10:34",""
"1571705","5.9813","0.0009","11.3702","0.0015","14.985","0.002","90","","93.681","0.008","90","","1017","0.2","100","2","100.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","4-aminophenylalanine","","- C18 H30 N4 O7 -","- C18 H30 N4 O7 -","- C36 H60 N8 O14 -","2","1","","Ramalhete, Susana; Green, Hayley; Angulo, Jesús; Iuga, Dinu; Fábián, László; Lloyd, Gareth O.; Khimyak, Yaroslav Z.","Probing assembly/disassembly of ordered molecular hydrogels","Faraday Discussions","2024","","","","","10.1039/D4FD00081A","","x-ray","0.71073","MoKα","","0.069","0.0573","","","0.1576","0.1654","","","","","","1.086","","","","has coordinates,has disorder","292010","2024-05-23","23:11:39",""
"1571706","7.2605","0.0009","10.4221","0.0014","14.668","0.002","90","","94.366","0.012","90","","1106.7","0.3","109","2","109","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Chlorido(2-{(2-hydroxyethyl)[tris(hydroxymethyl)methyl]amino}ethanolato-κ^5^<i>N</i>,<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''')copper(II)","","- C8 H18 Cl Cu N O5 -","- C8 H18 Cl Cu N O5 -","- C32 H72 Cl4 Cu4 N4 O20 -","4","1","WM4213","Fortis-Valera, Monserrat; Arroyo-Carmona, Rosa Elena; Pérez-Benítez, Aarón; Bernès, Sylvain","Chlorido(2-{(2-hydroxyethyl)[tris(hydroxymethyl)methyl]amino}ethanolato-κ5 N,O,O′,O′′,O′′′)copper(II)","IUCrData","2024","9","5","","","10.1107/S2414314624004395","","","0.71073","MoKα","","0.0655","0.0475","","","0.1144","0.1299","","","","","","1.046","","","","has coordinates","292032","2024-05-25","01:57:05",""
"1571707","9.2015","0.0019","15.281","0.004","20.007","0.003","104.66","0.02","97.26","0.02","102.4","0.02","2609","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C66.5 H58 D12 S -","- C66.5 H58 D12 S -","- C133 H116 D24 S2 -","2","1","","Prajapati, Bibek; Kwenda, Tendai; Lis, Tadeusz; Chmielewski, Piotr J.; Gómez-García, Carlos J.; Majewski, Marcin A.; Stępień, Marcin","Difluorenoheteroles: topological control of π conjugation in diradicaloids and mixed-valence radical ions","Chemical Science","2024","15","26","10101","10109","10.1039/D4SC02459A","","x-ray","1.54184","CuKα","","0.0666","0.0575","","","0.1654","0.1725","","","","","","1.087","","","","has coordinates,has disorder","292880","2024-07-05","14:14:46",""
"1571708","9.141","0.002","16.305","0.004","16.996","0.005","105.22","0.04","91.86","0.04","99.67","0.03","2401.8","1.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H67 N -","- C60 H67 N -","- C120 H134 N2 -","2","1","","Prajapati, Bibek; Kwenda, Tendai; Lis, Tadeusz; Chmielewski, Piotr J.; Gómez-García, Carlos J.; Majewski, Marcin A.; Stępień, Marcin","Difluorenoheteroles: topological control of π conjugation in diradicaloids and mixed-valence radical ions","Chemical Science","2024","15","26","10101","10109","10.1039/D4SC02459A","","x-ray","1.54184","CuKα","","0.1595","0.1176","","","0.3186","0.3408","","","","","","1.031","","","","has coordinates,has disorder","292880","2024-07-05","14:14:48",""
"1571709","9.742","0.002","15.56","0.004","30.552","0.012","90","","93.27","0.04","90","","4624","2","100","2","100.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C60 H67 N -","- C60 H67 N -","- C240 H268 N4 -","4","1","","Prajapati, Bibek; Kwenda, Tendai; Lis, Tadeusz; Chmielewski, Piotr J.; Gómez-García, Carlos J.; Majewski, Marcin A.; Stępień, Marcin","Difluorenoheteroles: topological control of π conjugation in diradicaloids and mixed-valence radical ions","Chemical Science","2024","15","26","10101","10109","10.1039/D4SC02459A","","","1.54184","CuKα","","0.1197","0.0633","","","0.1556","0.1911","","","","","","1.02","","","","has coordinates","292880","2024-07-05","14:14:48",""
"1571710","20.2235","0.0011","30.1037","0.0007","27.7552","0.0007","90","","108.649","0.004","90","","16010.2","1.1","171","2","171","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C160 H170 N14 Ni3 -","- C160 H170 N14 Ni3 -","- C640 H680 N56 Ni12 -","4","1","","Wang, Lina; Liao, Zian; Lin, Peng; Jia, Yingying; Liu, Le; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Rao, Yutao; Nakai, Akito; Tanaka, Takayuki; Shimizu, Daiki; Osuka, Atsuhiro; Song, Jianxin","Synthesis of NiII porphyrin—NiII 5,15-diazaporphyrin hybrid tapes","Chemical Science","2024","15","26","10207","10213","10.1039/D4SC01450B","","x-ray","1.54184","CuKα","","0.171","0.1127","","","0.3239","0.3921","","","","","","1.077","","","","has coordinates,has disorder","292878","2024-07-05","14:14:09",""
"1571711","11.99689","0.00017","15.9669","0.0002","23.9854","0.0003","73.518","0.0012","89.4513","0.0011","80.3482","0.0012","4339.81","0.1","101","2","101","2","","","","","","","","4","P -1","-P 1","2","","","","- C160 H170 N14 Ni3 -","- C160 H170 N14 Ni3 -","- C160 H170 N14 Ni3 -","1","0.5","","Wang, Lina; Liao, Zian; Lin, Peng; Jia, Yingying; Liu, Le; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Rao, Yutao; Nakai, Akito; Tanaka, Takayuki; Shimizu, Daiki; Osuka, Atsuhiro; Song, Jianxin","Synthesis of NiII porphyrin—NiII 5,15-diazaporphyrin hybrid tapes","Chemical Science","2024","15","26","10207","10213","10.1039/D4SC01450B","","x-ray","1.54184","CuKα","","0.0658","0.0625","","","0.1625","0.1652","","","","","","1.094","","","","has coordinates,has disorder","292878","2024-07-05","14:14:10",""
"1571712","16.4956","0.0003","19.5137","0.0008","27.9638","0.0006","90","","98.4471","0.0018","90","","8903.6","0.4","100.2","0.5","100.2","0.5","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C160 H168 N14 Ni3 -","- C160 H168 N14 Ni3 -","- C320 H336 N28 Ni6 -","2","0.5","","Wang, Lina; Liao, Zian; Lin, Peng; Jia, Yingying; Liu, Le; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Rao, Yutao; Nakai, Akito; Tanaka, Takayuki; Shimizu, Daiki; Osuka, Atsuhiro; Song, Jianxin","Synthesis of NiII porphyrin—NiII 5,15-diazaporphyrin hybrid tapes","Chemical Science","2024","15","26","10207","10213","10.1039/D4SC01450B","","x-ray","1.54184","CuKα","","0.1191","0.0939","","","0.285","0.3089","","","","","","1.126","","","","has coordinates","292878","2024-07-05","14:14:10",""
"1571713","16.6924","0.0004","19.0219","0.0005","21.9272","0.0006","80.695","0.002","71.43","0.002","72.72","0.002","6284.6","0.3","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C128 H122 Cl5 F6 N10 Ni2 Sb -","- C128 H122 Cl5 F6 N10 Ni2 Sb -","- C256 H244 Cl10 F12 N20 Ni4 Sb2 -","2","1","","Wang, Lina; Liao, Zian; Lin, Peng; Jia, Yingying; Liu, Le; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Rao, Yutao; Nakai, Akito; Tanaka, Takayuki; Shimizu, Daiki; Osuka, Atsuhiro; Song, Jianxin","Synthesis of NiII porphyrin—NiII 5,15-diazaporphyrin hybrid tapes","Chemical Science","2024","15","26","10207","10213","10.1039/D4SC01450B","","x-ray","1.54184","CuKα","","0.1193","0.1035","","","0.2774","0.2938","","","","","","1.033","","","","has coordinates,has disorder","292878","2024-07-05","14:14:10",""
"1571714","12.1732","0.0004","15.6437","0.0003","24.1466","0.0004","72.6545","0.0016","80.455","0.002","79.266","0.002","4282.49","0.18","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C160 H170 N14 Ni3 -","- C160 H170 N14 Ni3 -","- C160 H170 N14 Ni3 -","1","0.5","","Wang, Lina; Liao, Zian; Lin, Peng; Jia, Yingying; Liu, Le; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Rao, Yutao; Nakai, Akito; Tanaka, Takayuki; Shimizu, Daiki; Osuka, Atsuhiro; Song, Jianxin","Synthesis of NiII porphyrin—NiII 5,15-diazaporphyrin hybrid tapes","Chemical Science","2024","15","26","10207","10213","10.1039/D4SC01450B","","x-ray","1.54184","CuKα","","0.0729","0.0604","","","0.1527","0.1605","","","","","","1.018","","","","has coordinates,has disorder","292878","2024-07-05","14:14:10",""
"1571715","33.012","0.0007","17.7275","0.0003","30.1749","0.0005","90","","91.719","0.002","90","","17651","0.6","99.9","0.5","99.9","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C205 H229 N14 Ni3 O -","- C205 H229 N14 Ni3 O -","- C820 H916 N56 Ni12 O4 -","4","1","","Wang, Lina; Liao, Zian; Lin, Peng; Jia, Yingying; Liu, Le; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Rao, Yutao; Nakai, Akito; Tanaka, Takayuki; Shimizu, Daiki; Osuka, Atsuhiro; Song, Jianxin","Synthesis of NiII porphyrin—NiII 5,15-diazaporphyrin hybrid tapes","Chemical Science","2024","15","26","10207","10213","10.1039/D4SC01450B","","x-ray","1.54184","CuKα","","0.0832","0.0613","","","0.1478","0.1625","","","","","","1.022","","","","has coordinates,has disorder","292878","2024-07-05","14:14:10",""
"1571716","19.5178","0.0005","27.725","0.0009","28.7677","0.0006","104.436","0.002","95.669","0.002","104.971","0.003","14340.6","0.7","100.27","0.1","100.27","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C160 H164 N14 Ni3 -","- C160 H164 N14 Ni3 -","- C480 H492 N42 Ni9 -","3","1.5","","Wang, Lina; Liao, Zian; Lin, Peng; Jia, Yingying; Liu, Le; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Rao, Yutao; Nakai, Akito; Tanaka, Takayuki; Shimizu, Daiki; Osuka, Atsuhiro; Song, Jianxin","Synthesis of NiII porphyrin—NiII 5,15-diazaporphyrin hybrid tapes","Chemical Science","2024","15","26","10207","10213","10.1039/D4SC01450B","","x-ray","1.54184","CuKα","","0.1492","0.0983","","","0.2607","0.3045","","","","","","0.984","","","","has coordinates","292878","2024-07-05","14:14:10",""
"1571717","19.8298","0.0003","27.6668","0.0004","28.8267","0.0004","104.249","0.0011","96.2653","0.0012","105.308","0.0013","14526","0.4","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C480 H487 Cl3 N42 Ni9 -","- C480 H487 Cl3 N42 Ni9 -","- C480 H487 Cl3 N42 Ni9 -","1","0.5","","Wang, Lina; Liao, Zian; Lin, Peng; Jia, Yingying; Liu, Le; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Rao, Yutao; Nakai, Akito; Tanaka, Takayuki; Shimizu, Daiki; Osuka, Atsuhiro; Song, Jianxin","Synthesis of NiII porphyrin—NiII 5,15-diazaporphyrin hybrid tapes","Chemical Science","2024","15","26","10207","10213","10.1039/D4SC01450B","","x-ray","1.54184","CuKα","","0.1384","0.0982","","","0.2645","0.2935","","","","","","0.959","","","","has coordinates,has disorder","292878","2024-07-05","14:14:10",""
"1571718","14.7232","0.0002","9.8889","0.0001","51.6585","0.0006","90","","94.723","0.001","90","","7495.74","0.15","99.98","0.12","99.98","0.12","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","TTABN","","- C96 H84 B2 N6 -","- C96 H84 B2 N6 -","- C384 H336 B8 N24 -","4","1","","Chen, Yi-Kuan; Lei, Jian; Wu, Tien-Lin","Elevating the upconversion performance of a multiple resonance thermally activated delayed fluorescence emitter via an embedded azepine approach","Chemical Science","2024","15","26","10146","10154","10.1039/D4SC02351J","","x-ray","1.54184","CuKα","","0.0629","0.0539","","","0.1342","0.1385","","","","","","1.118","","","","has coordinates","292879","2024-07-05","14:14:23",""
"1571719","20.7278","0.00013","13.75053","0.00009","25.09061","0.00016","90","","90","","90","","7151.28","0.08","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","TAzBN","","- C48 H36 B N3 -","- C48 H36 B N3 -","- C384 H288 B8 N24 -","8","1","","Chen, Yi-Kuan; Lei, Jian; Wu, Tien-Lin","Elevating the upconversion performance of a multiple resonance thermally activated delayed fluorescence emitter via an embedded azepine approach","Chemical Science","2024","15","26","10146","10154","10.1039/D4SC02351J","","x-ray","1.54184","CuKα","","0.0454","0.0408","","","0.1091","0.1125","","","","","","1.038","","","","has coordinates","292879","2024-07-05","14:14:24",""
"1571720","24.6517","0.0011","6.4107","0.0003","26.2782","0.0012","90","","106.673","0.002","90","","3978.3","0.3","293","","293","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H22 Mg N4 O14 -","- C10 H22 Mg N4 O14 -","- C80 H176 Mg8 N32 O112 -","8","1","","Li, Yang; Ok, Kang Min","Crystal clear: unveiling giant birefringence in organic–inorganic cocrystals","Chemical Science","2024","15","26","10193","10199","10.1039/D4SC02569E","","","0.71073","MoKα","","0.1177","0.0843","","","0.1705","0.1859","","","","","","1.176","","","","has coordinates","292876","2024-07-05","14:11:25",""
"1571721","8.821","0.008","10.477","0.009","9.205","0.009","90","","110.89","0.03","90","","794.8","1.3","171","","171","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Li2 N4 O10 -","- C10 H14 Li2 N4 O10 -","- C20 H28 Li4 N8 O20 -","2","0.5","","Li, Yang; Ok, Kang Min","Crystal clear: unveiling giant birefringence in organic–inorganic cocrystals","Chemical Science","2024","15","26","10193","10199","10.1039/D4SC02569E","","","0.71073","MoKα","","0.0926","0.0535","","","0.113","0.1307","","","","","","1.019","","","","has coordinates","292876","2024-07-05","14:11:26",""
"1571722","8.212","0.0006","8.9624","0.0006","9.932","0.0007","82.101","0.002","68.227","0.002","70.184","0.002","638.59","0.08","140","","140","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 Li2 N6 O12 -","- C20 H24 Li2 N6 O12 -","- C20 H24 Li2 N6 O12 -","1","0.5","","Li, Yang; Ok, Kang Min","Crystal clear: unveiling giant birefringence in organic–inorganic cocrystals","Chemical Science","2024","15","26","10193","10199","10.1039/D4SC02569E","","x-ray","0.71073","MoKα","","0.0453","0.0404","","","0.1088","0.1127","","","","","","1.022","","","","has coordinates","292876","2024-07-05","14:11:26",""
"1571723","16.7116","0.0001","14.0718","0.0001","15.4454","0.0001","90","","96.098","0.001","90","","3611.62","0.04","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H32 F6 Fe Ir N4 P -","- C42 H32 F6 Fe Ir N4 P -","- C168 H128 F24 Fe4 Ir4 N16 P4 -","4","1","","Gayen, Firdaus Rahaman; Chawla, Sakshi; Bora, Debashree; Borkotoky, Lodsna; Gazi, Sarifuddin; Mallick, Dibyendu; Maurya, Ram Awatar; De, Arijit Kumar; Saha, Biswajit","Boosting photocatalytic efficiency of iridium polypyridyl complex in coupling reaction through the induction of ferrocene: insights into bimetallic catalysis","Catalysis Science & Technology","2024","14","13","3618","3628","10.1039/D3CY01418E","","","1.54184","CuKα","","0.0364","0.0338","","","0.0906","0.0925","","","","","","1.049","","","","has coordinates","292754","2024-07-05","12:57:54",""
"1571724","20.806","0.0003","32.6834","0.0005","41.5251","0.0008","90","","98.7177","0.0016","90","","27911.3","0.8","293","2","293","2","","","","","","","","12","P 1 21/n 1","-P 2yn","14","","","","- C195 H231.18 Ag22 Cl Cu F12 O34 P12 S11 Sb2 Si W9 -","- C195 H231.186 Ag22 Cl Cu F12 O34 P12 S11 Sb2 Si W9 -","- C780 H924.744 Ag88 Cl4 Cu4 F48 O136 P48 S44 Sb8 Si4 W36 -","4","1","","Zhang, Jing; Dong, Yuanyuan; Deng, Lan; Chi, Manzhou; Feng, Yeqin; Zhao, Mengyun; Lv, Hongjin; Yang, Guo-Yu","Polyoxometalate-mediated syntheses of three structurally new silver clusters.","Nanoscale","2024","16","24","11518","11523","10.1039/d4nr02016b","","","0.71073","MoKα","","0.1655","0.1165","","","0.2989","0.3435","","","","","","1.028","","","","has coordinates,has disorder","293176","2024-07-05","17:28:24",""
"1571725","18.6002","0.0002","22.9769","0.0003","23.2397","0.0003","67.851","0.001","66.927","0.001","78.924","0.001","8451.8","0.2","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C250 Ag16 Co8 N4 O82 P16 S6 Si2 W18 -","- C250 Ag16 Co8 N4 O82 P16 S6 Si2 W18 -","- C250 Ag16 Co8 N4 O82 P16 S6 Si2 W18 -","1","0.5","","Zhang, Jing; Dong, Yuanyuan; Deng, Lan; Chi, Manzhou; Feng, Yeqin; Zhao, Mengyun; Lv, Hongjin; Yang, Guo-Yu","Polyoxometalate-mediated syntheses of three structurally new silver clusters.","Nanoscale","2024","16","24","11518","11523","10.1039/d4nr02016b","","","0.71073","MoKα","","0.0796","0.0495","","","0.1216","0.1383","","","","","","1.021","","","","has coordinates,has disorder","293176","2024-07-05","17:28:24",""
"1571726","21.7876","0.0002","21.8079","0.0002","59.0524","0.0004","86.911","0.001","86.835","0.001","80.006","0.001","27562.3","0.4","180","0.1","180","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C390 H466 Ag48 Cl2 O105.39 P24 S22 Si3 W30 -","- C390 H466 Ag48 Cl2 O105.394 P24 S22 Si3 W30 -","- C780 H932 Ag96 Cl4 O210.788 P48 S44 Si6 W60 -","2","1","","Zhang, Jing; Dong, Yuanyuan; Deng, Lan; Chi, Manzhou; Feng, Yeqin; Zhao, Mengyun; Lv, Hongjin; Yang, Guo-Yu","Polyoxometalate-mediated syntheses of three structurally new silver clusters.","Nanoscale","2024","16","24","11518","11523","10.1039/d4nr02016b","","x-ray","0.71073","MoKα","","0.1564","0.1503","","","0.3286","0.3312","","","","","","1.219","","","","has coordinates,has disorder","293176","2024-07-05","17:28:25",""
"1571727","9.2861","0.0003","15.141","0.0005","15.1451","0.0006","118.4","0.001","95.188","0.001","95.18","0.001","1843.74","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H23 Co I2 N2 -","- C16 H23 Co I2 N2 -","- C64 H92 Co4 I8 N8 -","4","2","","Trotta, Caterina; Dahiya, Pardeep; Baldinelli, Lorenzo; Menendez Rodriguez, Gabriel; Chakraborty, Priyanka; Bistoni, Giovanni; De Angelis, Filippo; Sundararaju, Basker; Macchioni, Alceo","A cobalt molecular catalyst for hydrogen evolution reaction with remarkable activity in phosphate buffered water solution","Catalysis Science & Technology","2024","14","13","3699","3706","10.1039/D4CY00209A","","","0.71073","MoKα","","0.0618","0.0382","","","0.1072","0.1362","","","","","","0.83","","","","has coordinates","292755","2024-07-05","12:58:19",""
"1571728","8.202","0.0007","9.8816","0.0009","12.3164","0.0011","89.106","0.002","83.431","0.002","76.17","0.002","962.86","0.15","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","Complex-2","","- C17 H25 Co I2 N2 -","- C17 H25 Co I2 N2 -","- C34 H50 Co2 I4 N4 -","2","1","","Trotta, Caterina; Dahiya, Pardeep; Baldinelli, Lorenzo; Menendez Rodriguez, Gabriel; Chakraborty, Priyanka; Bistoni, Giovanni; De Angelis, Filippo; Sundararaju, Basker; Macchioni, Alceo","A cobalt molecular catalyst for hydrogen evolution reaction with remarkable activity in phosphate buffered water solution","Catalysis Science & Technology","2024","14","13","3699","3706","10.1039/D4CY00209A","","x-ray","0.71073","MoKα","","0.0307","0.0269","","","0.0913","0.1","","","","","","0.7766","","","","has coordinates","292755","2024-07-05","12:58:26",""
"1571729","14.2142","0.0008","14.3406","0.0007","19.3048","0.0009","97.833","0.002","93.512","0.002","99.176","0.002","3834.6","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C203 H130 Cl8 N16 O5 -","- C196 H116 N16 O4 -","- C196 H116 N16 O4 -","1","0.5","","Xie, Feng-Ming; Wang, Han-Yang; Li, Hao-Ze; Zhang, Kai; Shen, Yang; Zou, Jianhua; Li, Yan-Qing; Tang, Jian-Xin","Intramolecular exciplex featuring a bis-sp<sup>3</sup> C-locked acceptor-donor-acceptor sandwich.","Materials horizons","2024","11","16","3921","3927","10.1039/d4mh00400k","","","0.71073","MoKα","","0.1103","0.083","","","0.1789","0.1942","","","","","","1.0895","","","","has coordinates","294647","2024-09-06","02:11:03",""
"1571730","23.163","0.002","12.6413","0.0011","15.781","0.0013","90","","91.796","0.003","90","","4618.6","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H60 Os4 Th -","- C40 H60 Os4 Th -","- C160 H240 Os16 Th4 -","4","1","","Ye, Christopher Z.; Del Rosal, Iker; Kelly, Sheridon N.; Brackbill, I. Joseph; Maron, Laurent; Camp, Clément; Arnold, John","Photolysis-driven bond activation by thorium and uranium tetraosmate polyhydride complexes.","Chemical science","2024","15","25","9784","9792","10.1039/d4sc02380c","","","0.7288","synchrotron","","0.0521","0.0387","","","0.0801","0.0862","","","","","","1.041","","","","has coordinates","292895","2024-07-05","14:59:26",""
"1571731","18.6052","0.0005","9.9998","0.0003","13.383","0.0004","90","","90","","90","","2489.88","0.12","100","","100","","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C46 H73 Os4 Th -","- C46 H73 Os4 Th -","- C92 H146 Os8 Th2 -","2","0.5","","Ye, Christopher Z.; Del Rosal, Iker; Kelly, Sheridon N.; Brackbill, I. Joseph; Maron, Laurent; Camp, Clément; Arnold, John","Photolysis-driven bond activation by thorium and uranium tetraosmate polyhydride complexes.","Chemical science","2024","15","25","9784","9792","10.1039/d4sc02380c","","x-ray","0.71073","MoKα","","0.0247","0.0216","","","0.0463","0.047","","","","","","1.045","","","","has coordinates,has disorder","292895","2024-07-05","14:59:35",""
"1571732","13.7391","0.0015","13.7391","0.0015","25.158","0.003","90","","90","","90","","4748.9","0.9","100","","100","","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","","","","- C46 H64 Os4 Th -","- C46 H64 Os4 Th -","- C184 H256 Os16 Th4 -","4","0.25","","Ye, Christopher Z.; Del Rosal, Iker; Kelly, Sheridon N.; Brackbill, I. Joseph; Maron, Laurent; Camp, Clément; Arnold, John","Photolysis-driven bond activation by thorium and uranium tetraosmate polyhydride complexes.","Chemical science","2024","15","25","9784","9792","10.1039/d4sc02380c","","","0.7288","synchrotron","","0.051","0.0445","","","0.1071","0.1101","","","","","","1.214","","","","has coordinates,has disorder","292895","2024-07-05","14:59:36",""
"1571733","40.875","0.004","10.0269","0.001","23.315","0.002","90","","113.731","0.004","90","","8747.7","1.5","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H59 Os4 U -","- C40 H59 Os4 U -","- C320 H472 Os32 U8 -","8","1","","Ye, Christopher Z.; Del Rosal, Iker; Kelly, Sheridon N.; Brackbill, I. Joseph; Maron, Laurent; Camp, Clément; Arnold, John","Photolysis-driven bond activation by thorium and uranium tetraosmate polyhydride complexes.","Chemical science","2024","15","25","9784","9792","10.1039/d4sc02380c","","","0.7288","synchrotron","","0.0397","0.0314","","","0.067","0.0701","","","","","","1.069","","","","has coordinates,has disorder","292895","2024-07-05","14:59:36",""
"1571734","21.395","0.002","21.395","0.002","21.395","0.002","90","","90","","90","","9793.5","1.6","100","","100","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C40 H60 Os4 U -","- C39.999 H59.9985 Os4 U -","- C319.992 H479.988 Os32 U8 -","8","0.333333","","Ye, Christopher Z.; Del Rosal, Iker; Kelly, Sheridon N.; Brackbill, I. Joseph; Maron, Laurent; Camp, Clément; Arnold, John","Photolysis-driven bond activation by thorium and uranium tetraosmate polyhydride complexes.","Chemical science","2024","15","25","9784","9792","10.1039/d4sc02380c","","","0.7288","synchrotron","","0.0372","0.0342","","","0.0965","0.0986","","","","","","1.109","","","","has coordinates,has disorder","292895","2024-07-05","14:59:36",""
"1571735","5.1363","0.0001","7.0488","0.0002","20.63","0.0006","87.499","0.002","87.373","0.002","75.469","0.002","721.85","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H36 Br2 N2 O4 -","- C30 H36 Br2 N2 O4 -","- C30 H36 Br2 N2 O4 -","1","0.5","","Giri, Indrajit; Chhetri, Shant; John P, Jesslyn; Mondal, Madalasa; Dey, Arka Bikash; Vijayaraghavan, Ratheesh K.","Engineered solid-state aggregates in brickwork stacks of n-type organic semiconductors: a way to achieve high electron mobility.","Chemical science","2024","15","25","9630","9640","10.1039/d4sc02339k","","x-ray","1.54184","CuKα","","0.0487","0.0458","","","0.1233","0.1274","","","","","","1.049","","","","has coordinates","292892","2024-07-05","14:58:43",""
"1571736","5.088","0.008","7.898","0.012","17.03","0.02","93.5","0.05","92.9","0.04","93.65","0.05","680.7","1.7","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H38 N2 O4 -","- C30 H38 N2 O4 -","- C30 H38 N2 O4 -","1","0.5","","Giri, Indrajit; Chhetri, Shant; John P, Jesslyn; Mondal, Madalasa; Dey, Arka Bikash; Vijayaraghavan, Ratheesh K.","Engineered solid-state aggregates in brickwork stacks of n-type organic semiconductors: a way to achieve high electron mobility.","Chemical science","2024","15","25","9630","9640","10.1039/d4sc02339k","","","0.71073","MoKα","","0.2081","0.1776","","","0.3906","0.4118","","","","","","1.668","","","","has coordinates","292892","2024-07-05","14:58:44",""
"1571737","5.2191","0.0003","9.7042","0.0004","14.6193","0.0006","92.556","0.003","99.112","0.004","90.114","0.004","730.32","0.06","99.97","0.15","99.97","0.15","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 Br4 N2 O4 -","- C30 H34 Br4 N2 O4 -","- C30 H34 Br4 N2 O4 -","1","0.5","","Giri, Indrajit; Chhetri, Shant; John P, Jesslyn; Mondal, Madalasa; Dey, Arka Bikash; Vijayaraghavan, Ratheesh K.","Engineered solid-state aggregates in brickwork stacks of n-type organic semiconductors: a way to achieve high electron mobility.","Chemical science","2024","15","25","9630","9640","10.1039/d4sc02339k","","x-ray","1.54184","CuKα","","0.1043","0.0953","","","0.2924","0.3137","","","","","","1.454","","","","has coordinates,has disorder","292892","2024-07-05","14:58:44",""
"1571738","25.207","0.0012","25.207","0.0012","14.984","0.001","90","","90","","120","","8245.2","0.8","100","","100","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C110 H73 F17 N9 O12 -","- C104 H63.9996 F16.9998 N6 O12 -","- C208 H127.999 F33.9996 N12 O24 -","2","0.333333","","Karmakar, Pratik; Finnegan, Tyler J.; Rostam, Darian C.; Taneja, Sagarika; Uçar, Sefa; Hansen, Alexandar L.; Moore, Curtis E.; Hadad, Christopher M.; Pratumyot, Kornkanya; Parquette, Jon R.; Badjić, Jovica D.","Molecular bowls for inclusion complexation of toxic anticancer drug methotrexate","Chemical Science","2024","15","26","10155","10163","10.1039/D3SC05627A","","x-ray","0.71073","MoKα","K-L~3~","0.2652","0.1611","","","0.369","0.45","","","","","","1.396","","","","has coordinates,has disorder","292875","2024-07-05","14:11:10",""
"1571739","11.0742","0.0006","8.9131","0.0005","11.9898","0.0007","90","","97.772","0.002","90","","1172.59","0.11","213","","213","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 B10 N2 O2 -","- C20 H26 B10 N2 O2 -","- C40 H52 B20 N4 O4 -","2","1","","Zhu, Mengjie; Wang, Puzhao; Wu, Zhengqiu; Zhong, Yangfa; Su, Laiman; Xin, Yuquan; Spokoyny, Alexander M.; Zou, Chao; Mu, Xin","A Pd-catalyzed route to carborane-fused boron heterocycles.","Chemical science","2024","15","27","10392","10401","10.1039/d4sc02214a","","","1.34139","GaKα","","0.0943","0.0601","","","0.1423","0.1646","","","","","","1.049","","","","has coordinates","293754","2024-08-05","18:01:56",""
"1571740","7.6015","0.0003","10.8533","0.0004","12.873","0.0005","104.407","0.002","96.511","0.002","91.171","0.002","1020.7","0.07","213","","213","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 B10 N2 O4 -","- C14 H22 B10 N2 O4 -","- C28 H44 B20 N4 O8 -","2","1","","Zhu, Mengjie; Wang, Puzhao; Wu, Zhengqiu; Zhong, Yangfa; Su, Laiman; Xin, Yuquan; Spokoyny, Alexander M.; Zou, Chao; Mu, Xin","A Pd-catalyzed route to carborane-fused boron heterocycles.","Chemical science","2024","15","27","10392","10401","10.1039/d4sc02214a","","","1.34139","GaKα","","0.0678","0.0513","","","0.143","0.1565","","","","","","1.056","","","","has coordinates","293754","2024-08-05","18:01:57",""
"1571741","10.2799","0.0002","29.3893","0.0006","13.7124","0.0003","90","","103.772","0.001","90","","4023.68","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H46 B12 Cl2 N2 O4 -","- C31 H46 B12 Cl2 N2 O4 -","- C124 H184 B48 Cl8 N8 O16 -","4","1","","Zhu, Mengjie; Wang, Puzhao; Wu, Zhengqiu; Zhong, Yangfa; Su, Laiman; Xin, Yuquan; Spokoyny, Alexander M.; Zou, Chao; Mu, Xin","A Pd-catalyzed route to carborane-fused boron heterocycles.","Chemical science","2024","15","27","10392","10401","10.1039/d4sc02214a","","","1.54178","CuKα","","0.1168","0.0944","","","0.2632","0.2951","","","","","","1.052","","","","has coordinates,has disorder","293754","2024-08-05","18:01:57",""
"1571742","9.9546","0.0004","11.4754","0.0005","13.422","0.0006","108.262","0.002","111.141","0.001","90.935","0.002","1343.46","0.1","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 B10 Cl2 N4 -","- C23 H24 B10 Cl2 N4 -","- C46 H48 B20 Cl4 N8 -","2","1","","Zhu, Mengjie; Wang, Puzhao; Wu, Zhengqiu; Zhong, Yangfa; Su, Laiman; Xin, Yuquan; Spokoyny, Alexander M.; Zou, Chao; Mu, Xin","A Pd-catalyzed route to carborane-fused boron heterocycles.","Chemical science","2024","15","27","10392","10401","10.1039/d4sc02214a","","x-ray","0.71073","MoKα","","0.0662","0.0452","","","0.122","0.1386","","","","","","1.065","","","","has coordinates,has disorder","293754","2024-08-05","18:01:57",""
"1571743","11.4304","0.0002","13.1152","0.0003","14.0118","0.0003","90","","104.978","0.001","90","","2029.17","0.07","213","","213","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 B10 Br N -","- C16 H20 B10 Br N -","- C64 H80 B40 Br4 N4 -","4","1","","Zhu, Mengjie; Wang, Puzhao; Wu, Zhengqiu; Zhong, Yangfa; Su, Laiman; Xin, Yuquan; Spokoyny, Alexander M.; Zou, Chao; Mu, Xin","A Pd-catalyzed route to carborane-fused boron heterocycles.","Chemical science","2024","15","27","10392","10401","10.1039/d4sc02214a","","","1.34139","GaKα","","0.0415","0.0354","","","0.0885","0.0928","","","","","","1.04","","","","has coordinates","293754","2024-08-05","18:01:57",""
"1571744","9.712","0.002","11.259","0.003","19.629","0.003","90","","90.43","0.013","90","","2146.3","0.8","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","123","","- C17 H24 B10 N2 O3 -","- C17 H24 B10 N2 O3 -","- C68 H96 B40 N8 O12 -","4","1","","Zhu, Mengjie; Wang, Puzhao; Wu, Zhengqiu; Zhong, Yangfa; Su, Laiman; Xin, Yuquan; Spokoyny, Alexander M.; Zou, Chao; Mu, Xin","A Pd-catalyzed route to carborane-fused boron heterocycles.","Chemical science","2024","15","27","10392","10401","10.1039/d4sc02214a","","","1.54178","CuKα","","0.0922","0.0685","","","0.1879","0.2056","","","","","","1.055","","","","has coordinates,has disorder","293754","2024-08-05","18:01:57",""
"1571745","15.2441","0.0003","11.0252","0.0002","12.837","0.0003","90","","100.802","0.001","90","","2119.28","0.08","213","","213","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H9 B5 N2 O4 -","- C7 H9 B5 N2 O4 -","- C56 H72 B40 N16 O32 -","8","1","","Zhu, Mengjie; Wang, Puzhao; Wu, Zhengqiu; Zhong, Yangfa; Su, Laiman; Xin, Yuquan; Spokoyny, Alexander M.; Zou, Chao; Mu, Xin","A Pd-catalyzed route to carborane-fused boron heterocycles.","Chemical science","2024","15","27","10392","10401","10.1039/d4sc02214a","","","1.34139","GaKα","","0.0502","0.0457","","","0.1265","0.1308","","","","","","1.056","","","","has coordinates","293754","2024-08-05","18:01:57",""
"1571746","9.8802","0.0013","15.147","0.002","19.407","0.004","90","","90","","90","","2904.4","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H17 B10 Br N2 -","- C7 H17 B10 Br N2 -","- C56 H136 B80 Br8 N16 -","8","1","","Zhu, Mengjie; Wang, Puzhao; Wu, Zhengqiu; Zhong, Yangfa; Su, Laiman; Xin, Yuquan; Spokoyny, Alexander M.; Zou, Chao; Mu, Xin","A Pd-catalyzed route to carborane-fused boron heterocycles.","Chemical science","2024","15","27","10392","10401","10.1039/d4sc02214a","","","0.71073","MoKα","","0.0922","0.0492","","","0.1143","0.1395","","","","","","1.03","","","","has coordinates","293754","2024-08-05","18:01:57",""
"1571747","7.3214","0.0015","22.248","0.004","12.425","0.003","90","","94.249","0.015","90","","2018.3","0.7","302","","302","","","","","","","","","4","P 1 21 1","P 2yb","4","","123","","- C18 H20 B10 N2 -","- C18 H20 B10 N2 -","- C72 H80 B40 N8 -","4","2","","Zhu, Mengjie; Wang, Puzhao; Wu, Zhengqiu; Zhong, Yangfa; Su, Laiman; Xin, Yuquan; Spokoyny, Alexander M.; Zou, Chao; Mu, Xin","A Pd-catalyzed route to carborane-fused boron heterocycles.","Chemical science","2024","15","27","10392","10401","10.1039/d4sc02214a","","","1.54178","CuKα","","0.066","0.0442","","","0.1126","0.1219","","","","","","1.05","","","","has coordinates","293754","2024-08-05","18:01:57",""
"1571748","9.2904","0.0015","10.4019","0.0016","11.1933","0.0018","80.24","0.008","66.662","0.007","67.274","0.007","915.9","0.3","302","","302","","","","","","","","","5","P -1","-P 1","2","","123","","- C13 H18 B10 N2 O3 -","- C13 H18 B10 N2 O3 -","- C26 H36 B20 N4 O6 -","2","1","","Zhu, Mengjie; Wang, Puzhao; Wu, Zhengqiu; Zhong, Yangfa; Su, Laiman; Xin, Yuquan; Spokoyny, Alexander M.; Zou, Chao; Mu, Xin","A Pd-catalyzed route to carborane-fused boron heterocycles.","Chemical science","2024","15","27","10392","10401","10.1039/d4sc02214a","","","1.54178","CuKα","","0.0548","0.0486","","","0.1394","0.1426","","","","","","1.075","","","","has coordinates","293754","2024-08-05","18:01:57",""
"1571749","10.4497","0.0003","13.3728","0.0004","17.3909","0.0005","90","","92.063","0.002","90","","2428.66","0.12","302","","302","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","123","","- C21 H26 B10 N2 O3 -","- C21 H26 B10 N2 O3 -","- C84 H104 B40 N8 O12 -","4","1","","Zhu, Mengjie; Wang, Puzhao; Wu, Zhengqiu; Zhong, Yangfa; Su, Laiman; Xin, Yuquan; Spokoyny, Alexander M.; Zou, Chao; Mu, Xin","A Pd-catalyzed route to carborane-fused boron heterocycles.","Chemical science","2024","15","27","10392","10401","10.1039/d4sc02214a","","","1.54178","CuKα","","0.0528","0.0422","","","0.1165","0.1245","","","","","","1.074","","","","has coordinates","293754","2024-08-05","18:01:57",""
"1571750","26.5187","0.0005","26.5187","0.0005","26.5187","0.0005","90","","90","","90","","18649","0.6","100","2","100","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C192 H144 Cl F18 Fe2 N36 O4 P3 -","- C180 H120 Cl F18 Fe2 N36 P3 -","- C720 H480 Cl4 F72 Fe8 N144 P12 -","4","0.333333","","Risa, Arnau; Barrios, Leoní A; Diego, Rosa; Roubeau, Olivier; Aleshin, Dmitry Y.; Nelyubina, Yulia; Novikov, Valentin; Teat, Simon J.; Ribas-Ariño, Jordi; Aromí, Guillem","Engineered π⋯π interactions favour supramolecular dimers X@[FeL<sub>3</sub>]<sub>2</sub> (X = Cl, Br, I): solid state and solution structure.","Chemical science","2024","15","24","9047","9053","10.1039/d4sc01365d","","","0.7288","synchrotron","","0.0526","0.0503","","","0.1469","0.15","","","","","","1.066","","","","has coordinates,has disorder","292851","2024-07-05","13:54:54",""
"1571751","26.5373","0.0007","26.5373","0.0007","26.5373","0.0007","90","","90","","90","","18688.3","0.9","100","2","100","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C192 H144 Br F18 Fe2 N36 O4 P3 -","- C180 H120 Br F18 Fe2 N36 P3 -","- C720 H480 Br4 F72 Fe8 N144 P12 -","4","0.333333","","Risa, Arnau; Barrios, Leoní A; Diego, Rosa; Roubeau, Olivier; Aleshin, Dmitry Y.; Nelyubina, Yulia; Novikov, Valentin; Teat, Simon J.; Ribas-Ariño, Jordi; Aromí, Guillem","Engineered π⋯π interactions favour supramolecular dimers X@[FeL<sub>3</sub>]<sub>2</sub> (X = Cl, Br, I): solid state and solution structure.","Chemical science","2024","15","24","9047","9053","10.1039/d4sc01365d","","","0.7288","synchrotron","","0.0889","0.0742","","","0.2073","0.2223","","","","","","1.042","","","","has coordinates,has disorder","292851","2024-07-05","13:54:54",""
"1571752","26.532","0.003","26.532","0.003","26.532","0.003","90","","90","","90","","18677","4","100","2","100","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C195 H152 F15.66 Fe2 I2.17 N36 O6 P2.61 -","- C180 H120 F15.6636 Fe2 I2.1682 N36 O P2.6106 -","- C720 H480 F62.6544 Fe8 I8.6728 N144 O4 P10.4424 -","4","0.333333","","Risa, Arnau; Barrios, Leoní A; Diego, Rosa; Roubeau, Olivier; Aleshin, Dmitry Y.; Nelyubina, Yulia; Novikov, Valentin; Teat, Simon J.; Ribas-Ariño, Jordi; Aromí, Guillem","Engineered π⋯π interactions favour supramolecular dimers X@[FeL<sub>3</sub>]<sub>2</sub> (X = Cl, Br, I): solid state and solution structure.","Chemical science","2024","15","24","9047","9053","10.1039/d4sc01365d","","","0.72932","synchrotron","","0.0546","0.0542","","","0.1597","0.1604","","","","","","1.067","","","","has coordinates,has disorder","292851","2024-07-05","13:54:54",""
"1571753","14.1616","0.0001","14.6125","0.0001","15.9286","0.0001","66.405","0.001","76.568","0.001","74.111","0.001","2876.94","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C70 H74 Cl4 -","- C70 H74 Cl4 -","- C140 H148 Cl8 -","2","1","","Swain, Asim; Radacki, Krzysztof; Braunschweig, Holger; Ravat, Prince","Helically twisted nanoribbons <i>via</i> stereospecific annulative π-extension reaction employing [7]helicene as a molecular wrench.","Chemical science","2024","15","30","11737","11747","10.1039/d4sc01814a","","x-ray","1.54184","CuKα","K-L~2,3~","0.0671","0.0643","","","0.1687","0.171","","","","","","1.072","","","","has coordinates,has disorder","293770","2024-08-05","18:10:06",""
"1571754","14.6922","0.0004","15.4658","0.0004","16.5251","0.0004","114.189","0.003","109.595","0.003","93.418","0.002","3140.92","0.19","100","2","100.01","0.1","","","","","","","","3","P 1","P 1","1","","","","- C83 H60 Cl6 -","- C83 H60 Cl6 -","- C166 H120 Cl12 -","2","2","","Swain, Asim; Radacki, Krzysztof; Braunschweig, Holger; Ravat, Prince","Helically twisted nanoribbons <i>via</i> stereospecific annulative π-extension reaction employing [7]helicene as a molecular wrench.","Chemical science","2024","15","30","11737","11747","10.1039/d4sc01814a","","","1.54184","CuKα","","0.1143","0.0936","","","0.2424","0.2691","","","","","","1.052","","","","has coordinates,has disorder","293770","2024-08-05","18:10:06",""
"1571755","19.7467","0.0005","13.7604","0.0003","19.3018","0.0005","90","","94.242","0.002","90","","5230.4","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H27 Cl Fe N2 O3 -","- C30 H27 Cl Fe N2 O3 -","- C240 H216 Cl8 Fe8 N16 O24 -","8","1","","Li, Wei; Yu, Jing; Wang, Jing; Fan, Xuejing; Xu, Ximing; Wang, Hui; Xiong, Ying; Li, Xinyu; Zhang, Xiaomin; Zhang, Qianer; Qi, Xin; Pigeon, Pascal; Gu, Qing; Bruno-Colmenarez, Julia; Jaouen, Gérard; McGlinchey, Michael J.; Qiu, Xue; You, Shu-Li; Li, Jing; Wang, Yong","How does ferrocene correlate with ferroptosis? Multiple approaches to explore ferrocene-appended GPX4 inhibitors as anticancer agents.","Chemical science","2024","15","27","10477","10490","10.1039/d4sc02002b","","","1.54186","CuKα","","0.0513","0.0402","","","0.095","0.109","","","","","","1.082","","","","has coordinates","293755","2024-08-05","18:02:13",""
"1571756","10.5013","0.0003","12.2497","0.0004","12.4905","0.0004","60.915","0.002","76.06","0.002","73.339","0.002","1335.26","0.08","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H28 Cl2 Fe N2 O3 -","- C29 H28 Cl2 Fe N2 O3 -","- C58 H56 Cl4 Fe2 N4 O6 -","2","1","","Li, Wei; Yu, Jing; Wang, Jing; Fan, Xuejing; Xu, Ximing; Wang, Hui; Xiong, Ying; Li, Xinyu; Zhang, Xiaomin; Zhang, Qianer; Qi, Xin; Pigeon, Pascal; Gu, Qing; Bruno-Colmenarez, Julia; Jaouen, Gérard; McGlinchey, Michael J.; Qiu, Xue; You, Shu-Li; Li, Jing; Wang, Yong","How does ferrocene correlate with ferroptosis? Multiple approaches to explore ferrocene-appended GPX4 inhibitors as anticancer agents.","Chemical science","2024","15","27","10477","10490","10.1039/d4sc02002b","","","1.54186","CuKα","","0.0671","0.0631","","","0.1729","0.1771","","","","","","1.047","","","","has coordinates,has disorder","293755","2024-08-05","18:02:15",""
"1571757","15.0583","0.0004","17.6346","0.0005","9.3797","0.0003","90","","90.429","0.002","90","","2490.68","0.13","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 Cl Fe N2 O2 S -","- C27 H27 Cl Fe N2 O2 S -","- C108 H108 Cl4 Fe4 N8 O8 S4 -","4","1","","Li, Wei; Yu, Jing; Wang, Jing; Fan, Xuejing; Xu, Ximing; Wang, Hui; Xiong, Ying; Li, Xinyu; Zhang, Xiaomin; Zhang, Qianer; Qi, Xin; Pigeon, Pascal; Gu, Qing; Bruno-Colmenarez, Julia; Jaouen, Gérard; McGlinchey, Michael J.; Qiu, Xue; You, Shu-Li; Li, Jing; Wang, Yong","How does ferrocene correlate with ferroptosis? Multiple approaches to explore ferrocene-appended GPX4 inhibitors as anticancer agents.","Chemical science","2024","15","27","10477","10490","10.1039/d4sc02002b","","","1.54186","CuKα","","0.0572","0.0391","","","0.0969","0.1038","","","","","","0.944","","","","has coordinates,has disorder","293755","2024-08-05","18:02:15",""
"1571758","8.0168","0.0004","42.038","0.002","15.3836","0.0007","90","","97.965","0.003","90","","5134.4","0.4","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C41 H22 O -","- C41 H22 O -","- C328 H176 O8 -","8","2","","Šámal, Michal; Sturm, Ludmilla; Banasiewicz, Marzena; Deperasinska, Irena; Kozankiewicz, Boleslaw; Morawski, Olaf; Nagata, Yuuya; Dechambenoit, Pierre; Bock, Harald; Rossel, Amandine; Buděšínský, Miloš; Boudier, Anthony; Jančařík, Andrej","Carbonyl mediated fluorescence in aceno[<i>n</i>]helicenones and fluoreno[<i>n</i>]helicenes.","Chemical science","2024","15","25","9842","9850","10.1039/d4sc00892h","","","0.71073","MoKα","","0.128","0.0632","","","0.1193","0.1397","","","","","","1.057","","","","has coordinates","292901","2024-07-05","15:01:10",""
"1571759","15.5109","0.0011","8.9771","0.0007","16.8196","0.0013","90","","101.427","0.004","90","","2295.6","0.3","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H20 O -","- C37 H20 O -","- C148 H80 O4 -","4","1","","Šámal, Michal; Sturm, Ludmilla; Banasiewicz, Marzena; Deperasinska, Irena; Kozankiewicz, Boleslaw; Morawski, Olaf; Nagata, Yuuya; Dechambenoit, Pierre; Bock, Harald; Rossel, Amandine; Buděšínský, Miloš; Boudier, Anthony; Jančařík, Andrej","Carbonyl mediated fluorescence in aceno[<i>n</i>]helicenones and fluoreno[<i>n</i>]helicenes.","Chemical science","2024","15","25","9842","9850","10.1039/d4sc00892h","","","0.71073","MoKα","","0.1117","0.0861","","","0.1992","0.2198","","","","","","1.164","","","","has coordinates","292901","2024-07-05","15:01:11",""
"1571760","10.6528","0.0007","13.9671","0.0009","18.2044","0.0011","90","","90","","90","","2708.6","0.3","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C45 H24 O -","- C45 H24 O -","- C180 H96 O4 -","4","1","","Šámal, Michal; Sturm, Ludmilla; Banasiewicz, Marzena; Deperasinska, Irena; Kozankiewicz, Boleslaw; Morawski, Olaf; Nagata, Yuuya; Dechambenoit, Pierre; Bock, Harald; Rossel, Amandine; Buděšínský, Miloš; Boudier, Anthony; Jančařík, Andrej","Carbonyl mediated fluorescence in aceno[<i>n</i>]helicenones and fluoreno[<i>n</i>]helicenes.","Chemical science","2024","15","25","9842","9850","10.1039/d4sc00892h","","","0.71073","MoKα","","0.0453","0.0442","","","0.1285","0.1296","","","","","","1.117","","","","has coordinates","292901","2024-07-05","15:01:11",""
"1571761","11.782","0.0006","18.0992","0.001","38.789","0.002","87.108","0.003","89.657","0.002","86.001","0.003","8240.9","0.8","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C164 H124 F15 N3 O19 -","- C164 H124 F15 N3 O19 -","- C328 H248 F30 N6 O38 -","2","1","","Nian, Hao; Wang, Song-Meng; Wang, Yan-Fang; Zheng, Yu-Tao; Zheng, Li-Shuo; Wang, Xiaoping; Yang, Liu-Pan; Jiang, Wei; Cao, Liping","Selective recognition and enrichment of C70 over C60 using an anthracene-based nanotube","Chemical Science","2024","15","26","10214","10220","10.1039/D4SC02814G","","","1.34139","GaKα","","0.1448","0.0904","","","0.2784","0.3228","","","","","","1.071","","","","has coordinates,has disorder","292874","2024-07-05","14:10:59",""
"1571762","15.0972","0.0014","24.931","0.002","29.79","0.003","88.424","0.003","82.103","0.003","84.163","0.003","11047.6","1.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C165 H144 Cl12 F24 N4 P4 -","- C165 H144 Cl12 F24 N4 P4 -","- C330 H288 Cl24 F48 N8 P8 -","2","1","","Dong, Shaoqiang; Han, Yi; Tong, Zekun; Wang, Jinfeng; Zhang, Yishan; Li, Aisen; Gopalakrishna, Tullimilli Y.; Tian, Hongkun; Chi, Chunyan","Facile synthesis and characterization of aza-bridged all-benzenoid quinoidal figure-eight and cage molecules.","Chemical science","2024","15","24","9087","9095","10.1039/d3sc02707d","","","0.71073","MoKα","","0.2292","0.1501","","","0.3719","0.4006","","","","","","1.909","","","","has coordinates","292858","2024-07-05","13:57:15",""
"1571763","24.0699","0.0007","24.0699","0.0007","29.1508","0.0014","90","","90","","120","","14626.1","0.9","100","2","100","2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C204 H162 F36 N6 Sb6 -","- C204 H162 F36 N6 Sb6 -","- C408 H324 F72 N12 Sb12 -","2","0.166667","","Dong, Shaoqiang; Han, Yi; Tong, Zekun; Wang, Jinfeng; Zhang, Yishan; Li, Aisen; Gopalakrishna, Tullimilli Y.; Tian, Hongkun; Chi, Chunyan","Facile synthesis and characterization of aza-bridged all-benzenoid quinoidal figure-eight and cage molecules.","Chemical science","2024","15","24","9087","9095","10.1039/d3sc02707d","","","1.54178","CuKα","","0.1959","0.1543","","","0.3581","0.3977","","","","","","2.191","","","","has coordinates","292858","2024-07-05","13:57:16",""
"1571764","10.6769","0.0003","17.9611","0.0005","7.0266","0.0002","90","","90","","90","","1347.48","0.07","295","2","295","2","","","","","","","","3","P n a 21","P 2c -2n","33","","2-Oxo-2<i>H</i>-chromen-4-yl 3,3-dimethylbutanoate","","- C15 H16 O4 -","- C15 H16 O4 -","- C60 H64 O16 -","4","1","HB4474","Bationo, Valentin; Ziki, Eric; Sombié, Charles Bavouma; Semdé, Rasmané; Djandé, Abdoulaye","2-Oxo-2H-chromen-4-yl 3,3-dimethylbutanoate","IUCrData","2024","9","5","","","10.1107/S2414314624004942","","","1.54184","CuKα","","0.032","0.0305","","","0.0823","0.0841","","","","","","1.05","","","","has coordinates","292162","2024-06-01","02:25:11",""
"1571765","13.0619","0.0017","7.6891","0.001","20.475","0.003","90","","106.809","0.014","90","","1968.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(10-Bromoanthracen-9-yl)-<i>N</i>-phenylaniline","","- C26 H18 Br N -","- C26 H18 Br N -","- C104 H72 Br4 N4 -","4","1","HB4471","Saravanan, Dhandayutham; Ponraj, C.; Khamrang, Themmila; Hemamalini, Madhukar; Antony, G. Jerald Maria","2-(10-Bromoanthracen-9-yl)-N-phenylaniline","IUCrData","2024","9","5","","","10.1107/S2414314624004759","","","0.71073","MoKα","","0.0677","0.0494","","","0.118","0.1293","","","","","","1.046","","","","has coordinates","292163","2024-06-01","02:25:26",""
"1571766","5.2598","0.0008","5.2598","0.0008","15.778","0.003","90","","90","","120","","378.03","0.11","300","2","300","2","","","","","","","","4","R -3 :H","-R 3","148","","Trisodium iron(III) ditellurium(VI) nonaoxide","","- Fe0.6666 Na2 O6 Te1.3333 -","- Fe0.6666 Na2 O6 Te1.3334 -","- Fe1.9998 Na6 O18 Te4.0002 -","3","0.166667","","Eder, Felix; Weil, Matthias","Ilmenite-type Na2(Fe2/3Te4/3)O6","IUCrData","2024","9","5","","","10.1107/S2414314624004826","","","0.71073","MoKα","","0.0326","0.0266","","","0.0642","0.0658","","","","","","1.031","","","","has coordinates","292164","2024-06-01","02:25:42",""
"1571767","4.8838","0.0002","18.3867","0.0007","5.1522","0.0002","90","","110.325","0.0016","90","","433.85","0.03","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","(<i>S</i>)-2-Carboxyethyl <i>L</i>-cysteinyl sulfone","(2<i>S</i>)-2-Azaniumyl-3-[(2-carboxyethane)sulfonyl]propanoate","","- C6 H11 N O6 S -","- C6 H11 N O6 S -","- C12 H22 N2 O12 S2 -","2","1","PK4044","Waters, James K.; Kelley, Steven P.; Mossine, Valeri V.; Mawhinney, Thomas P.","(S)-2-Carboxyethyl L-cysteinyl sulfone","IUCrData","2024","9","5","","","10.1107/S2414314624004802","","","0.71073","MoKα","","0.019","0.0189","","","0.0508","0.0508","","","","","","1.102","","","","has coordinates","292165","2024-06-01","02:25:58",""
"1571768","14.21628","0.00018","20.7477","0.0002","18.221","0.0002","90","","110.078","0.0015","90","","5047.74","0.11","130","0.2","130","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Octakis(dibutylammonium) decamolybdate(VI)","","- C64 H160 Mo10 N8 O34 -","- C64 H160 Mo10 N8 O34 -","- C128 H320 Mo20 N16 O68 -","2","0.5","WM4210","Gueye, Papa Aly; Yaffa, Lamine; Seye, Dame; Ndoye, Daouda; Traoré, Bocar; Sidibé, Mamadou; Diop, Cheikh Abdoul Khadir; Shova, Sergiu","Octakis(dibutylammonium) decamolybdate(VI)","IUCrData","2024","9","5","","","10.1107/S2414314624004632","","x-ray","1.54184","CuKα","","0.0507","0.0452","","","0.1153","0.1194","","","","","","1.024","","","","has coordinates,has disorder","292166","2024-06-01","02:26:16",""
"1571769","13.7","0.0006","13.7","0.0006","8.7123","0.0005","90","","90","","90","","1635.21","0.14","170","2","170","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","Tetrakis(2,4,6-trimethylanilido)tin(IV)","","- C36 H48 N4 Sn -","- C36 H48 N4 Sn -","- C72 H96 N8 Sn2 -","2","0.25","WM4214","Lämmer, Christian; Merzweiler, Kurt","Tetrakis(2,4,6-trimethylanilido)tin(IV)","IUCrData","2024","9","5","","","10.1107/S2414314624004796","","","0.71073","MoKα","","0.0242","0.0224","","","0.0558","0.057","","","","","","1.069","","","","has coordinates","292167","2024-06-01","02:26:32",""
"1571770","32.311","0.0013","11.2344","0.0005","22.7693","0.0009","90","","119.706","0.001","90","","7178.9","0.5","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C44 H32 N6 -","- C44 H32 N6 -","- C352 H256 N48 -","8","1","","Wu, Yujie; Zhang, Jiasen; Li, Deli; Du, Songyu; Mu, Xilin; Liu, Chunyu; Fang, Kaibo; Feng, Tingting; Wang, Tao; Li, Wei; Ge, Ziyi","Optimizing the energy level alignment for achieving record-breaking efficiency in hot exciton deep red OLEDs.","Materials horizons","2024","11","16","3928","3934","10.1039/d4mh00441h","","","0.71073","MoKα","","0.0961","0.0545","","","0.1248","0.1468","","","","","","1.027","","","","has coordinates","294646","2024-09-06","02:10:34",""
"1571771","8.9279","0.0004","10.6851","0.0004","35.7149","0.0014","90","","94.171","0.001","90","","3398","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H32 N6 -","- C44 H32 N6 -","- C176 H128 N24 -","4","1","","Wu, Yujie; Zhang, Jiasen; Li, Deli; Du, Songyu; Mu, Xilin; Liu, Chunyu; Fang, Kaibo; Feng, Tingting; Wang, Tao; Li, Wei; Ge, Ziyi","Optimizing the energy level alignment for achieving record-breaking efficiency in hot exciton deep red OLEDs.","Materials horizons","2024","11","16","3928","3934","10.1039/d4mh00441h","","","0.71073","MoKα","","0.1136","0.0602","","","0.129","0.1566","","","","","","1.047","","","","has coordinates","294646","2024-09-06","02:10:35",""
"1571772","15.311","0.004","23.948","0.006","7.27","0.02","90","","90","","90","","2666","7","293","","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","ET(1)*6H2O","4-(2,4,6-triphenylpyridinium-1-yl)-phenolate hexahydrate","","- C29 H21 N O7 -","- C29 H21 N O7 -","- C116 H84 N4 O28 -","4","0.5","LT5066","Sobczak, Szymon; Katrusiak, Andrzej","Structural insight into piezo-solvatochromism of Reichardt's dye.","IUCrJ","2024","11","4","","","10.1107/S2052252524004603","","","0.71073","MoKα","","0.2641","0.1369","","","0.3215","0.3781","","","","","","1.276","","","","has coordinates","292200","2024-06-05","02:20:32",""
"1571773","10.4704","0.0011","19.8","0.03","13.3135","0.0015","90","","95.819","0.009","90","","2746","4","293","2","293","2","","","570000","","","","","4","P 1 21/n 1","-P 2yn","14","ET(1)*4CH3OH","4-(2,4,6-triphenylpyridinium-1-yl)-phenolate tetramethanol solvate","","- C33 H37 N O5 -","- C33 H37 N O5 -","- C132 H148 N4 O20 -","4","1","","Sobczak, Szymon; Katrusiak, Andrzej","Structural insight into piezo-solvatochromism of Reichardt's dye.","IUCrJ","2024","11","4","","","10.1107/S2052252524004603","","","0.71073","MoKα","","0.1681","0.0857","","","0.2285","0.2956","","","","","","1.035","","","","has coordinates","292200","2024-06-05","02:20:33",""
"1571774","10.425","0.003","19.26","0.07","13.112","0.004","90","","95.7","0.03","90","","2620","10","293","2","293","2","","","1170000","","","","","4","P 1 21/n 1","-P 2yn","14","ET(1)*4CH3OH","4-(2,4,6-triphenylpyridinium-1-yl)-phenolate tetramethanol solvate","","- C33 H37 N O5 -","- C33 H37 N O5 -","- C132 H148 N4 O20 -","4","1","","Sobczak, Szymon; Katrusiak, Andrzej","Structural insight into piezo-solvatochromism of Reichardt's dye.","IUCrJ","2024","11","4","","","10.1107/S2052252524004603","","","0.71073","MoKα","","0.2272","0.0795","","","0.1889","0.2803","","","","","","1.023","","","","has coordinates","292200","2024-06-05","02:20:34",""
"1571775","24.062","0.009","24.062","0.009","31.259","0.008","90","","90","","120","","15674","9","293","2","293","","","","240000","","","","","4","R 3 c :H","R 3 -2""c","161","ET(1)*4C2H5OH*H2O","4-(2,4,6-triphenylpyridinium-1-yl)-phenolate ethanol solvate","","- C37 H45 N O6 -","- C37 H45 N O5.99997 -","- C666 H810 N18 O107.999 -","18","1","","Sobczak, Szymon; Katrusiak, Andrzej","Structural insight into piezo-solvatochromism of Reichardt's dye.","IUCrJ","2024","11","4","","","10.1107/S2052252524004603","","","0.71073","MoKα","","0.3773","0.121","","","0.3073","0.4585","","","","","","0.974","","","","has coordinates","292200","2024-06-05","02:20:34",""
"1571776","23.645","0.008","23.645","0.008","30.91","0.02","90","","90","","120","","14966","12","293","","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","ET(1)*4C2H5OH*H2O","4-(2,4,6-triphenylpyridinium-1-yl)-phenolate ethanol solvate","","- C37 H45 N O6 -","- C37 H45 N O5.99997 -","- C666 H810 N18 O107.999 -","18","1","","Sobczak, Szymon; Katrusiak, Andrzej","Structural insight into piezo-solvatochromism of Reichardt's dye.","IUCrJ","2024","11","4","","","10.1107/S2052252524004603","","","0.71073","MoKα","","0.3771","0.1248","","","0.2723","0.4036","","","","","","0.952","","","","has coordinates","292200","2024-06-05","02:20:35",""
"1571777","11.2451","0.0014","14.4734","0.0017","15.232","0.002","90","","103.485","0.004","90","","2410.7","0.5","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[[{μ~2~-5-[(dimethylamino)(thioxo)methoxy]benzene-1,3-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^}(μ~2-~4,4'-dipyridylamine-κ^2^<i>N</i>^4^:<i>N</i>^4'^)cobalt(II)] dimethylformamide hemisolvate monohydrate]","","- C22.5 H23.5 Co N4.5 O6.5 S -","- C22.5 H23.5 Co N4.5 O6.5 S -","- C90 H94 Co4 N18 O26 S4 -","4","1","WM4212","Qin, Hui-Yu; Zhang, Bing-Guang; Sun, Qiao-Zhen","Poly[[{μ2-5-[(dimethylamino)(thioxo)methoxy]benzene-1,3-dicarboxylato-κ4 O 1,O 1′:O 3,O 3′}(μ2-4,4′-dipyridylamine-κ2 N 4:N 4′)cobalt(II)] dimethylformamide hemisolvate monohydrate]","IUCrData","2024","9","6","","","10.1107/S2414314624004899","","","0.71073","MoKα","","0.0898","0.0531","","","0.129","0.1495","","","","","","1.036","","","","has coordinates,has disorder","292201","2024-06-05","02:22:06",""
"1571778","30.247","0.004","13.713","0.002","17.205","0.002","90","","90","","90","","7136.2","1.6","101.15","","101.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","(2,5-Dimethylimidazole){<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-[porphyrin-5,10,15,20-tetrayltetra(2,1-phenylene)]tetrakis(pyridine-3-carboxamide)}manganese(II) chlorobenzene disolvate","","- C85 H62 Cl2 Mn N14 O4 -","- C85 H62 Cl2 Mn N14 O4 -","- C340 H248 Cl8 Mn4 N56 O16 -","4","1","HB4469","Yang, Jun; Zhang, Cuijuan; Chu, Jiaxiang","(2,5-Dimethylimidazole){N,N′,N′′,N′′′-[porphyrin-5,10,15,20-tetrayltetra(2,1-phenylene)]tetrakis(pyridine-3-carboxamide)}manganese(II) chlorobenzene disolvate","IUCrData","2024","9","6","","","10.1107/S2414314624004978","","","0.71073","MoKα","","0.1065","0.0804","","","0.2106","0.2401","","","","","","1.063","","","","has coordinates","292202","2024-06-05","02:22:29",""
"1571779","23.1771","0.0019","12.7959","0.001","22.5404","0.0016","90","","100.332","0.003","90","","6576.5","0.9","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Chlorido[5,10,15,20-tetrakis(quinoline-7-carboxamido)porphinato]iron(III)","","- C84 H52 Cl Fe N12 O4 -","- C84 H52 Cl Fe N12 O4 -","- C336 H208 Cl4 Fe4 N48 O16 -","4","0.5","HB4470","Yang, Jun; Zhang, Cuijuan; Chu, Jiaxiang","Chlorido[5,10,15,20-tetrakis(quinoline-7-carboxamido)porphinato]iron(III)","IUCrData","2024","9","6","","","10.1107/S2414314624004966","","","0.71073","MoKα","","0.0422","0.0352","","","0.0819","0.0877","","","","","","1.074","","","","has coordinates","292203","2024-06-05","02:22:53",""
"1571780","15.244","0.01","18.456","0.012","18.809","0.007","74.97","0.04","82.45","0.04","88.26","0.05","5066","5","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C110 H136 Au2 Cu6 P2 S6 -","- C110 H136 Au2 Cu6 P2 S6 -","- C220 H272 Au4 Cu12 P4 S12 -","2","1","","Zhang, Di; Pan, Peiyao; Du, Xiaoqin; Kang, Xi; Zhu, Manzhou","Rethinking the stability of metal nanoclusters: the individual <i>versus</i> the collective.","Nanoscale","2024","16","24","11513","11517","10.1039/d4nr01748j","","x-ray","1.54186","CuKα","","0.0658","0.0483","","","0.1164","0.1219","","","","","","0.948","","","","has coordinates","293175","2024-07-05","17:27:20",""
"1571781","21.0039","0.0006","21.0039","0.0006","18.0081","0.0006","90","","90","","120","","6880.2","0.4","120","","120","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C96 H120 Au2 Cu6 P2 S6 -","- C96 H120 Au2 Cu6 P2 S6 -","- C288 H360 Au6 Cu18 P6 S18 -","3","0.166667","","Zhang, Di; Pan, Peiyao; Du, Xiaoqin; Kang, Xi; Zhu, Manzhou","Rethinking the stability of metal nanoclusters: the individual <i>versus</i> the collective.","Nanoscale","2024","16","24","11513","11517","10.1039/d4nr01748j","","x-ray","1.54186","CuKα","","0.0419","0.0386","","","0.1064","0.126","","","","","","1.153","","","","has coordinates","293175","2024-07-05","17:27:21",""
"1571782","20.5977","0.0014","21.1986","0.0013","25.5465","0.0017","66.348","0.002","88.655","0.002","87.214","0.002","10205.5","1.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 Co2 Dy8 K18 Na5 Nb64 O322 P8 -","- C16 Co2 Dy8 K18 Na5 Nb64 O322 P8 -","- C16 Co2 Dy8 K18 Na5 Nb64 O322 P8 -","1","0.5","","Fan, Jin-Ai; Yu, Hao; Lin, Yu-Diao; Qi, Ming-Qiang; Kong, Xiang-Jian; Sun, Cai; Zheng, Shou-Tian","An organophosphate 3d-4f heterometallic polyoxoniobate nanowire.","Nanoscale","2024","16","26","12420","12423","10.1039/d4nr01619j","","","0.71073","MoKα","","0.0584","0.0479","","","0.1329","0.1389","","","","","","1.045","","","","has coordinates","293179","2024-07-05","17:30:04",""
"1571783","19.3505","0.0003","19.3505","0.0003","21.7466","0.0005","90","","90","","90","","8142.8","0.3","193","","193","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C96 H108 N4 Pt Si4 -","- C96 H108 N4 Pt Si4 -","- C384 H432 N16 Pt4 Si16 -","4","0.25","","Qu, Chulin; Gong, Xinxin; Sun, Yufen; Gao, Hu; Cai, Fangjian; Zhao, Yue; Wu, Fan; Shen, Zhen","Synergistic <i>meso</i>-β regulation of porphyrins: squeezing the band gap into the near-infrared I/II region.","Chemical science","2024","15","27","10491","10498","10.1039/d4sc01806k","","x-ray","1.34139","GaKα","","0.0236","0.0207","","","0.0534","0.0546","","","","","","1.054","","","","has coordinates","293757","2024-08-05","18:03:02",""
"1571784","16.041","0.001","17.7484","0.0011","19.0998","0.0012","107.001","0.003","106.988","0.003","94.445","0.003","4893.7","0.5","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C104 H128 Cl N5 Si4 Zn -","- C104 H128 Cl N5 Si4 Zn -","- C208 H256 Cl2 N10 Si8 Zn2 -","2","1","","Qu, Chulin; Gong, Xinxin; Sun, Yufen; Gao, Hu; Cai, Fangjian; Zhao, Yue; Wu, Fan; Shen, Zhen","Synergistic <i>meso</i>-β regulation of porphyrins: squeezing the band gap into the near-infrared I/II region.","Chemical science","2024","15","27","10491","10498","10.1039/d4sc01806k","","x-ray","1.34139","GaKα","","0.1918","0.1177","","","0.2874","0.3321","","","","","","1.051","","","","has coordinates,has disorder","293757","2024-08-05","18:03:03",""
"1571785","9.4163","0.0004","10.5452","0.0005","10.6006","0.0005","76.484","0.004","77.312","0.004","76.71","0.004","980.61","0.08","123","","123.15","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H56 Br2 O2 S2 Si2 -","- C34 H56 Br2 O2 S2 Si2 -","- C34 H56 Br2 O2 S2 Si2 -","1","0.5","","Tani, Yosuke; Miyata, Kiyoshi; Ou, Erika; Oshima, Yuya; Komura, Mao; Terasaki, Morihisa; Kimura, Shuji; Ehara, Takumi; Kubo, Koki; Onda, Ken; Ogawa, Takuji","Fast, efficient, narrowband room-temperature phosphorescence from metal-free 1,2-diketones: rational design and the mechanism.","Chemical science","2024","15","28","10784","10793","10.1039/d4sc02841d","","x-ray","0.71073","MoKα","","0.0292","0.0254","","","0.0648","0.0667","","","","","","1.024","","","","has coordinates,has disorder","293746","2024-08-05","17:58:45",""
"1571786","9.5389","0.0012","28.047","0.004","16.886","0.002","90","","99.148","0.004","90","","4460.2","1","123","2","123","2","","","","","","","","2","C 1 c 1","C -2yc","9","","1,3,7-Tri-tert-butylpyrene","","- C28 H34 -","- C28 H34 -","- C224 H272 -","8","2","","Ohtsuka, Motoo; Ghosh, Koushik; Yim, Jacky C.-H.; Sotome, Hikaru; Okamoto, Tsubasa; Suda, Kayo; Kobori, Yasuhiro; Yokogawa, Daisuke; Miyasaka, Hiroshi; Crudden, Cathleen M.; Nambo, Masakazu","Visible-light-induced direct C-H alkylation of polycyclic aromatic hydrocarbons with alkylsulfones.","Chemical science","2024","15","27","10592","10599","10.1039/d4sc02577f","","","0.71075","MoKα","","0.0854","0.0461","","","0.0861","0.0973","","","","","","0.971","","","","has coordinates","293761","2024-08-05","18:03:56",""
"1571787","10.05628","0.00017","5.8382","0.00012","23.8712","0.0004","90","","100.565","0.0017","90","","1377.73","0.04","173.01","0.1","173.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H12 F2 O2 -","- C18 H12 F2 O2 -","- C72 H48 F8 O8 -","4","2","","Giri, Rahul; Zhilin, Egor; Katayev, Dmitry","Divergent functionalization of alkenes enabled by photoredox activation of CDFA and α-halo carboxylic acids.","Chemical science","2024","15","27","10659","10667","10.1039/d4sc01084a","","x-ray","1.54184","CuKα","","0.0412","0.0386","","","0.1097","0.1114","","","","","","1.065","","","","has coordinates,has disorder","293758","2024-08-05","18:03:13",""
"1571788","14.015","0.003","20.406","0.004","25.223","0.006","90","","90","","90","","7214","3","143","2","143","2","","","","","","","","3","P b c n","-P 2n 2ab","60","P5Ph","Per-phenyl-substituted pillar[5]arene","","- C48.125 H35 Cl1.25 -","- C48.125 H35 Cl1.25 -","- C385 H280 Cl10 -","8","1","","Kaneda, Tomoya; Kato, Kenichi; Ohtani, Shunsuke; Ogoshi, Tomoki","Pillar[5]arenes decorated with six-membered-ring aromatics at all the substitution positions.","Chemical science","2024","15","27","10651","10658","10.1039/d4sc01042f","","","0.71075","MoKα","","0.093","0.087","","","0.1826","0.1863","","","","","","1.191","","","","has coordinates","293759","2024-08-05","18:03:21",""
"1571789","30.8986","0.0017","10.7331","0.0006","22.0999","0.0013","90","","90","","90","","7329.2","0.7","100","2","100.03","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C48 H24 Cl4 -","- C48 H24 Cl4 -","- C384 H192 Cl32 -","8","1","","Jiang, Qing; Tang, Hui; Peng, Yuchen; Hu, Zhenni; Zeng, Wangdong","Helical polycyclic hydrocarbons with open-shell singlet ground states and ambipolar redox behaviors.","Chemical science","2024","15","27","10519","10528","10.1039/d4sc02116a","","","1.54178","CuKα","","0.1275","0.1051","","","0.2838","0.309","","","","","","1.182","","","","has coordinates","293762","2024-08-05","18:05:48",""
"1571790","15.9841","0.0007","17.718","0.0008","23.9712","0.001","92.321","0.003","107.956","0.003","112.455","0.002","5871","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H124 Cl4 K2 O18 -","- C104 H124 Cl4 K2 O18 -","- C208 H248 Cl8 K4 O36 -","2","1","","Jiang, Qing; Tang, Hui; Peng, Yuchen; Hu, Zhenni; Zeng, Wangdong","Helical polycyclic hydrocarbons with open-shell singlet ground states and ambipolar redox behaviors.","Chemical science","2024","15","27","10519","10528","10.1039/d4sc02116a","","","1.54178","CuKα","","0.1146","0.0961","","","0.2608","0.2762","","","","","","1.041","","","","has coordinates","293762","2024-08-05","18:05:49",""
"1571791","22.6813","0.0011","16.1611","0.0011","19.3896","0.0012","90","","108.576","0.004","90","","6737.1","0.7","106","","106","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H44 Cl17.98 O2 Sb2 -","- C64 H44 Cl17.98 O2 Sb2 -","- C256 H176 Cl71.92 O8 Sb8 -","4","0.5","","Jiang, Qing; Tang, Hui; Peng, Yuchen; Hu, Zhenni; Zeng, Wangdong","Helical polycyclic hydrocarbons with open-shell singlet ground states and ambipolar redox behaviors.","Chemical science","2024","15","27","10519","10528","10.1039/d4sc02116a","","","1.54178","CuKα","","0.0401","0.0331","","","0.0743","0.0798","","","","","","1.084","","","","has coordinates,has disorder","293762","2024-08-05","18:05:49",""
"1571792","29.1132","0.0016","11.2694","0.0006","57.979","0.003","90","","90","","90","","19022.2","1.8","100","2","99.99","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C128 H88 Cl7.96 O4 -","- C128 H88 Cl7.961 O4 -","- C1024 H704 Cl63.688 O32 -","8","1","","Jiang, Qing; Tang, Hui; Peng, Yuchen; Hu, Zhenni; Zeng, Wangdong","Helical polycyclic hydrocarbons with open-shell singlet ground states and ambipolar redox behaviors.","Chemical science","2024","15","27","10519","10528","10.1039/d4sc02116a","","","1.54178","CuKα","","0.0473","0.0436","","","0.1117","0.1165","","","","","","1.031","","","","has coordinates","293762","2024-08-05","18:05:49",""
"1571793","9.4752","0.0004","11.6241","0.0003","12.9271","0.0006","90","","111.55","0.005","90","","1324.27","0.1","295.4","0.6","295.4","0.6","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H29 F I N2 P S -","- C25 H29 F I N2 P S -","- C50 H58 F2 I2 N4 P2 S2 -","2","1","","Zhang, Hongkui; Tan, Jian-Ping; Ren, Xiaoyu; Wang, Fan; Zheng, Jia-Yan; He, Jiajia; Feng, Yu; Xu, Zhipeng; Su, Zhishan; Wang, Tianli","Synergistically activating nucleophile strategy enabled organocatalytic asymmetric P-addition of cyclic imines.","Chemical science","2024","15","30","12017","12025","10.1039/d4sc02212b","","x-ray","1.54184","CuKα","","0.0978","0.0957","","","0.2193","0.223","","","","","","1.131","","","","has coordinates","293776","2024-08-05","18:12:13",""
"1571794","9.9178","0.0005","13.3016","0.0008","14.7232","0.0009","68.269","0.002","83.486","0.002","69.787","0.002","1692.94","0.17","280","2","280","","","","","","","","","2","P -1","-P 1","2","","","","- C49 H32 -","- C49 H32 -","- C98 H64 -","2","1","","Li, Qian; Yu, Zhiqian; Liu, Qianhui; Guo, Yusong; Fu, Zhangyi; Yang, Yudong; Bin, Zhengyang; Wu, Di; Lan, Jingbo","Crafting 1,4-diaryl spirobifluorene hosts in OLEDs <i>via</i> interannular C-H arylation: synergistic effects of molecular linearity and orthogonality.","Chemical science","2024","15","27","10547","10555","10.1039/d4sc02178a","","","0.71073","MoKα","","0.1127","0.0603","","","0.1433","0.172","","","","","","1.036","","","","has coordinates","293763","2024-08-05","18:06:02",""
"1571795","10.0916","0.0004","10.7661","0.0004","13.935","0.0005","74.868","0.001","84.912","0.001","78.065","0.002","1428.94","0.09","150","2","150","","","","","","","","","2","P -1","-P 1","2","","","","- C43 H28 -","- C43 H28 -","- C86 H56 -","2","1","","Li, Qian; Yu, Zhiqian; Liu, Qianhui; Guo, Yusong; Fu, Zhangyi; Yang, Yudong; Bin, Zhengyang; Wu, Di; Lan, Jingbo","Crafting 1,4-diaryl spirobifluorene hosts in OLEDs <i>via</i> interannular C-H arylation: synergistic effects of molecular linearity and orthogonality.","Chemical science","2024","15","27","10547","10555","10.1039/d4sc02178a","","","0.71073","MoKα","","0.0632","0.0453","","","0.1029","0.1147","","","","","","1.026","","","","has coordinates","293763","2024-08-05","18:06:03",""
"1571796","10.5749","0.0004","12.4865","0.0005","12.8313","0.0005","90.401","0.001","90.147","0.001","99.575","0.001","1670.63","0.11","302","2","302","","","","","","","","","2","P -1","-P 1","2","","","","- C49 H32 -","- C49 H32 -","- C98 H64 -","2","1","","Li, Qian; Yu, Zhiqian; Liu, Qianhui; Guo, Yusong; Fu, Zhangyi; Yang, Yudong; Bin, Zhengyang; Wu, Di; Lan, Jingbo","Crafting 1,4-diaryl spirobifluorene hosts in OLEDs <i>via</i> interannular C-H arylation: synergistic effects of molecular linearity and orthogonality.","Chemical science","2024","15","27","10547","10555","10.1039/d4sc02178a","","","0.71073","MoKα","","0.1014","0.0582","","","0.1395","0.1653","","","","","","1.023","","","","has coordinates","293763","2024-08-05","18:06:03",""
"1571797","9.431","0.003","11.607","0.003","13.247","0.004","87.189","0.009","78.325","0.009","74.102","0.01","1365.7","0.7","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 I N O3 S -","- C32 H30 I N O3 S -","- C64 H60 I2 N2 O6 S2 -","2","1","","Liu, Yang; Gong, Xiao-Ting; Wang, Kang-Nan; He, Simeng; Wang, Yumeng; Lin, Qiaowen; Liu, Zhiqiang; Yu, Xiaoqiang; Liu, Bin","Dual-targeted fluorescent probe for tracking polarity and phase transition processes during lipophagy.","Materials horizons","2024","11","14","3287","3297","10.1039/d4mh00190g","","","1.54178","CuKα","","0.0325","0.0317","","","0.0865","0.0871","","","","","","1.043","","","","has coordinates,has disorder","293947","2024-08-05","20:09:58",""
"1571798","10.7069","0.0007","16.7483","0.0006","31.0611","0.0012","90","","91.717","0.004","90","","5567.4","0.5","99.9","0.5","99.9","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C63 H59 Cl4 N9 -","- C63 H59 Cl4 N9 -","- C252 H236 Cl16 N36 -","4","1","","Liu, Yang; Xu, Ling; Jin, Xiaorong; Yin, Bangshao; Rao, Yutao; Zhou, Mingbo; Song, Jianxin; Osuka, Atsuhiro","The unprecedented strong paratropic ring current of a bis-Pd<sup>II</sup> complex of 5,10,23-trimesityl [28]heptaphyrin(1.1.0.0.1.0.0).","Chemical science","2024","15","29","11402","11407","10.1039/d4sc01909a","","x-ray","1.54184","CuKα","","0.0916","0.0729","","","0.1843","0.1975","","","","","","1.063","","","","has coordinates","293737","2024-08-05","17:56:14",""
"1571799","11.9268","0.0003","27.7816","0.0009","16.3663","0.0005","90","","105.272","0.003","90","","5231.4","0.3","100","0.9","100","0.9","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C116 H100 B2 F4 N14 -","- C116 H100 B2 F4 N14 -","- C232 H200 B4 F8 N28 -","2","1","","Liu, Yang; Xu, Ling; Jin, Xiaorong; Yin, Bangshao; Rao, Yutao; Zhou, Mingbo; Song, Jianxin; Osuka, Atsuhiro","The unprecedented strong paratropic ring current of a bis-Pd<sup>II</sup> complex of 5,10,23-trimesityl [28]heptaphyrin(1.1.0.0.1.0.0).","Chemical science","2024","15","29","11402","11407","10.1039/d4sc01909a","","x-ray","1.54184","CuKα","","0.0894","0.0656","","","0.1563","0.1724","","","","","","1.023","","","","has coordinates","293737","2024-08-05","17:56:15",""
"1571800","14.5782","0.0003","19.0441","0.0004","16.8698","0.0005","90","","90","","90","","4683.5","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C58 H48 Cl N7 Pd2 -","- C58 H47 Cl N7 Pd2 -","- C232 H188 Cl4 N28 Pd8 -","4","0.5","","Liu, Yang; Xu, Ling; Jin, Xiaorong; Yin, Bangshao; Rao, Yutao; Zhou, Mingbo; Song, Jianxin; Osuka, Atsuhiro","The unprecedented strong paratropic ring current of a bis-Pd<sup>II</sup> complex of 5,10,23-trimesityl [28]heptaphyrin(1.1.0.0.1.0.0).","Chemical science","2024","15","29","11402","11407","10.1039/d4sc01909a","","x-ray","1.54184","CuKα","","0.0592","0.0549","","","0.1348","0.1376","","","","","","1.102","","","","has coordinates,has disorder","293737","2024-08-05","17:56:15",""
"1571801","5.8945","0.0012","7.7498","0.0014","20.085","0.004","90","","91.072","0.015","90","","917.3","0.3","294.85","","294.85","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C H -","- C1.01961 H0.862745 -","- C52 H44 -","51","12.75","","Zhou, Shuang; Qiu, Tianyu; Wang, He; Tang, Boyan; Su, Yang; Nan, Tianhao; Dong, Junchao; Wang, Zihao; Liu, Dongtao; Zhu, Guangshan","Flexible porous organic polymers constructed using C(sp<sup>3</sup>)-C(sp<sup>3</sup>) coupling reactions and their high methane-storage capacity.","Chemical science","2024","15","28","10830","10837","10.1039/d4sc01289e","","x-ray","1.54178","CuKα","K-L~3~","0.1908","0.1442","","","0.4252","0.4511","","","","","","1.085","","","","has coordinates","293751","2024-08-05","18:00:14",""
"1571802","19.662","0.0013","23.7645","0.0017","19.8456","0.0014","90","","113.508","0.002","90","","8503.4","1","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H52.5 N13 O10.5 Pd S2 -","- C56 H52.5 N13 O10.3333 Pd S2 -","- C224 H210 N51.9998 O41.3332 Pd4 S8 -","4","2","","Montà-González, Giovanni; Bastante-Rodríguez, David; García-Fernández, Alba; Lusby, Paul J.; Martínez-Máñez, Ramón; Martí-Centelles, Vicente","Comparing organic and metallo-organic hydrazone molecular cages as potential carriers for doxorubicin delivery","Chemical Science","2024","15","26","10010","10017","10.1039/D4SC02294G","","","0.71073","MoKα","","0.0628","0.0449","","","0.1073","0.1162","","","","","","1.037","","","","has coordinates,has disorder","292881","2024-07-05","14:15:09",""
"1571803","20.4033","0.0009","7.8689","0.0003","25.4607","0.0012","90","","91.45","0.002","90","","4086.4","0.3","170","2","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H74 F6 N4 O6 S6 -","- C84 H74 F6 N4 O6 S6 -","- C168 H148 F12 N8 O12 S12 -","2","0.5","","Ye, Shounuan; Chen, Tianyi; Yu, Jinyang; Wang, Shanlu; Li, Shuixing; Wang, Jingxi; Fu, Yuang; Zhu, Yuxuan; Wang, Mengting; Lu, Xinhui; Ma, Zaifei; Li, Chang-Zhi; Shi, Minmin; Chen, Hongzheng","Enhanced crystal network and charge transfer of non-fused ring electron acceptors via interchain interaction for efficient and stable organic solar cells","Energy & Environmental Science","2024","17","14","5137","5146","10.1039/D4EE02027H","","","1.54178","CuKα","","0.0877","0.0821","","","0.2414","0.2464","","","","","","1.05","","","","has coordinates,has disorder","293876","2024-08-05","19:35:23",""
"1571804","15.606","0.003","16.678","0.003","18.394","0.003","63.176","0.011","69.39","0.014","69.98","0.015","3901.2","1.3","170","2","170.15","","","","","","","","","6","P -1","-P 1","2","","","","- C86 H80 F4 N4 O6 S6 -","- C86 H80 F4 N4 O6 S6 -","- C172 H160 F8 N8 O12 S12 -","2","1","","Ye, Shounuan; Chen, Tianyi; Yu, Jinyang; Wang, Shanlu; Li, Shuixing; Wang, Jingxi; Fu, Yuang; Zhu, Yuxuan; Wang, Mengting; Lu, Xinhui; Ma, Zaifei; Li, Chang-Zhi; Shi, Minmin; Chen, Hongzheng","Enhanced crystal network and charge transfer of non-fused ring electron acceptors via interchain interaction for efficient and stable organic solar cells","Energy & Environmental Science","2024","17","14","5137","5146","10.1039/D4EE02027H","","","1.54178","CuKα","","0.2701","0.18","","","0.413","0.4989","","","","","","1.06","","","","has coordinates","293876","2024-08-05","19:35:25",""
"1571805","15.5739","0.0012","18.8499","0.0015","20.1648","0.0013","98.961","0.005","96.362","0.004","98.914","0.005","5721.3","0.7","170","2","170","","","","","","","","","6","P -1","-P 1","2","","","","- C126 H113 F6 N6 O9 S9 -","- C126 H113 F6 N6 O9 S9 -","- C252 H226 F12 N12 O18 S18 -","2","1","","Ye, Shounuan; Chen, Tianyi; Yu, Jinyang; Wang, Shanlu; Li, Shuixing; Wang, Jingxi; Fu, Yuang; Zhu, Yuxuan; Wang, Mengting; Lu, Xinhui; Ma, Zaifei; Li, Chang-Zhi; Shi, Minmin; Chen, Hongzheng","Enhanced crystal network and charge transfer of non-fused ring electron acceptors via interchain interaction for efficient and stable organic solar cells","Energy & Environmental Science","2024","17","14","5137","5146","10.1039/D4EE02027H","","","1.54178","CuKα","","0.2413","0.1847","","","0.4266","0.4694","","","","","","1.204","","","","has coordinates","293876","2024-08-05","19:35:25",""
"1571806","14.1426","0.0003","12.3103","0.0003","18.8707","0.0003","90","","98.492","0.002","90","","3249.36","0.12","100","","100.15","","","","","","","","","7","P 1 c 1","P -2yc","7","","(4-Butyl-1-ethyl-1,2,4-triazol-5-ylidene)[(1,2,5,6-η)-cycloocta-1,5-diene](triphenylphosphane)iridium(I) tetrafluoridoborate","","- C34 H42 B F4 Ir N3 P -","- C34 H42 B F4 Ir N3 P -","- C136 H168 B4 F16 Ir4 N12 P4 -","4","2","HB4475","Lerch, Timothy G.; Gau, Michael; Albert, Daniel R.; Rajaseelan, Edward","(4-Butyl-1-ethyl-1,2,4-triazol-5-ylidene)[(1,2,5,6-η)-cycloocta-1,5-diene](triphenylphosphane)iridium(I) tetrafluoridoborate","IUCrData","2024","9","6","","","10.1107/S2414314624005017","","","0.71073","MoKα","","0.031","0.0272","","","0.065","0.0662","","","","","","1.083","","","","has coordinates,has disorder","292270","2024-06-08","01:58:18",""
"1571807","18.1245","0.0016","11.6689","0.001","26.067","0.002","90","","90.332","0.002","90","","5512.9","0.8","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Triacetonitrile(1,4,7-trimethyl-1,4,7-triazacyclononane)cobalt(II) bis(tetraphenylborate)","","- C63 H70 B2 Co N6 -","- C63 H70 B2 Co N6 -","- C252 H280 B8 Co4 N24 -","4","1","BX4029","Shin, Jeongcheol; Kim, Jin; Choi, Jonghoon","Triacetonitrile(1,4,7-trimethyl-1,4,7-triazacyclononane)cobalt(II) bis(tetraphenylborate)","IUCrData","2024","9","6","","","10.1107/S241431462400539X","","","0.71073","MoKα","","0.0897","0.0562","","","0.0971","0.1069","","","","","","1.142","","","","has coordinates","292295","2024-06-12","02:07:37",""
"1571808","15.2592","0.0002","12.0316","0.0001","18.0659","0.0002","90","","103.902","0.001","90","","3219.61","0.06","250.01","0.1","250.01","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C39 H26 F6 N O Sb -","- C39 H26 F6 N O Sb -","- C156 H104 F24 N4 O4 Sb4 -","4","1","","Zhang, Jingxian; Sun, Tao; Wang, Kangmin; Hu, Ruike; Zhou, Chunlin; Ge, Haibo; Li, Bijin","Rh(iii)-catalyzed building up of used heterocyclic cations: facile access to white-light-emitting materials.","Chemical science","2024","15","31","12270","12276","10.1039/d4sc02188f","","x-ray","1.54184","CuKα","","0.0488","0.0445","","","0.1144","0.119","","","","","","1.046","","","","has coordinates,has disorder","294484","2024-09-05","23:55:45",""
"1571809","10.6003","0.0006","13.7655","0.0007","15.6971","0.0008","79.49","0.002","72.182","0.002","67.933","0.002","2014.97","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H59 N5 O2 Zr -","- C42 H59 N5 O2 Zr -","- C84 H118 N10 O4 Zr2 -","2","1","","Nuñez Bahena, Erick; Hosseini, Kimia; Curto, Sheila Galván; Schafer, Laurel L.","Understanding mechanism driven regioselectivity in zirconium-catalysed hydroaminoalkylation: homoallylic amines from conjugated dienes.","Chemical science","2024","15","27","10571","10576","10.1039/d4sc00636d","","","0.71073","MoKα","","0.0449","0.0324","","","0.0691","0.0736","","","","","","1.012","","","","has coordinates","293760","2024-08-05","18:03:42",""
"1571810","10.4694","0.0007","13.7275","0.001","14.5277","0.0011","96.63","0.002","103.052","0.002","109.933","0.002","1869.4","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H57 N5 O2 Zr -","- C37 H57 N5 O2 Zr -","- C74 H114 N10 O4 Zr2 -","2","1","","Nuñez Bahena, Erick; Hosseini, Kimia; Curto, Sheila Galván; Schafer, Laurel L.","Understanding mechanism driven regioselectivity in zirconium-catalysed hydroaminoalkylation: homoallylic amines from conjugated dienes.","Chemical science","2024","15","27","10571","10576","10.1039/d4sc00636d","","","0.71073","MoKα","","0.052","0.0371","","","0.0871","0.0915","","","","","","1.029","","","","has coordinates","293760","2024-08-05","18:03:44",""
"1571811","34.527","0.004","10.5749","0.0013","27.352","0.003","90","","111.514","0.004","90","","9291","1.9","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H71 N5 O2 Si Zr -","- C46 H71 N5 O2 Si Zr -","- C368 H568 N40 O16 Si8 Zr8 -","8","1","","Nuñez Bahena, Erick; Hosseini, Kimia; Curto, Sheila Galván; Schafer, Laurel L.","Understanding mechanism driven regioselectivity in zirconium-catalysed hydroaminoalkylation: homoallylic amines from conjugated dienes.","Chemical science","2024","15","27","10571","10576","10.1039/d4sc00636d","","","0.71073","MoKα","","0.0551","0.0388","","","0.0823","0.0875","","","","","","1.04","","","","has coordinates","293760","2024-08-05","18:03:44",""
"1571812","4.915","0.003","11.218","0.007","20.402","0.014","90","","90","","90","","1124.9","1.2","285","2","285","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 F5 O -","- C12 H9 F5 O -","- C48 H36 F20 O4 -","4","1","","Luo, Zheng; Zhang, Xiaoyu; Li, Zaiyang; Luo, Meiming; Zeng, Xiaoming","Mild ketyl radical generation and coupling with alkynes enabled by Cr catalysis: stereoselective access to <i>E</i>-exocyclic allyl alcohols.","Chemical science","2024","15","29","11428","11434","10.1039/d4sc02967d","","","0.71073","MoKα","","0.1124","0.0546","","","0.1253","0.1573","","","","","","1.026","","","","has coordinates","293733","2024-08-05","17:54:15",""
"1571813","16.7116","0.0005","31.6354","0.0005","23.446","0.0005","90","","110.465","0.003","90","","11613.1","0.5","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C73 H175 Mn18 N O58 -","- C65 H143 Mn18 N O50 -","- C260 H572 Mn72 N4 O200 -","4","1","","He, Yan; Liu, Yang; Zheng, Huijuan; Xiang, Zhen; Zhou, Zheng; Geng, Fengting; Geng, Longlong; Dikarev, Evgeny V.; Han, Haixiang","From cubane-assembled Mn-oxo clusters to monodispersed manganese oxide colloidal nanocrystals.","Chemical science","2024","15","27","10381","10391","10.1039/d4sc01451k","","","0.71073","MoKα","","0.1447","0.0958","","","0.2399","0.2714","","","","","","1.028","","","","has coordinates,has disorder","293756","2024-08-05","18:02:44",""
"1571814","10.4312","0.0005","13.1605","0.0006","16.2948","0.0008","106.181","0.003","99.194","0.004","90.133","0.004","2118.14","0.18","160","","160","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H96 Mn18 N2 O50 -","- C48 H88 Mn18 N2 O48 -","- C48 H88 Mn18 N2 O48 -","1","0.5","","He, Yan; Liu, Yang; Zheng, Huijuan; Xiang, Zhen; Zhou, Zheng; Geng, Fengting; Geng, Longlong; Dikarev, Evgeny V.; Han, Haixiang","From cubane-assembled Mn-oxo clusters to monodispersed manganese oxide colloidal nanocrystals.","Chemical science","2024","15","27","10381","10391","10.1039/d4sc01451k","","","1.54178","CuKα","","0.1306","0.0707","","","0.182","0.2192","","","","","","0.928","","","","has coordinates","293756","2024-08-05","18:02:44",""
"1571815","8.2893","0.0003","14.163","0.0004","10.0325","0.0003","90","","103.686","0.003","90","","1144.39","0.06","123.15","","123.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H19 Br N6 O -","- C25 H19 Br N6 O -","- C50 H38 Br2 N12 O2 -","2","1","","Guo, Weiwei; Huang, Jianhao; Ishihara, Kazuaki","Chiral π-Cu(ii)-catalyzed site-, <i>exo</i>/<i>endo</i>-, and enantioselective dearomative (3 + 2) cycloadditions of isoquinolinium ylides with enamides, dienamides, and a trienamide.","Chemical science","2024","15","28","10926","10934","10.1039/d4sc02946a","","x-ray","0.71073","MoKα","","0.0265","0.0246","","","0.065","0.0655","","","","","","1.075","","","","has coordinates","293744","2024-08-05","17:58:21",""
"1571816","7.0614","0.0003","10.6993","0.0004","18.6749","0.0008","90","","90","","90","","1410.93","0.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","1","","Wang, Han; Xun, Shan-Shan; Yu, Chang-Bin; Zhou, Yong-Gui","Palladium-catalyzed asymmetric hydrogenation of lactones under base-free conditions.","Chemical science","2024","15","28","11038","11042","10.1039/d4sc01890g","","","1.54178","CuKα","","0.0519","0.0464","","","0.1241","0.1296","","","","","","1.073","","","","has coordinates","293748","2024-08-05","17:59:42",""
"1571817","8.2353","0.0003","9.8484","0.0004","11.7427","0.0005","82.241","0.001","70.296","0.002","66.512","0.001","822.33","0.06","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C38 H36 O8 -","2","1","","Wang, Han; Xun, Shan-Shan; Yu, Chang-Bin; Zhou, Yong-Gui","Palladium-catalyzed asymmetric hydrogenation of lactones under base-free conditions.","Chemical science","2024","15","28","11038","11042","10.1039/d4sc01890g","","","1.54178","CuKα","","0.0505","0.0489","","","0.1336","0.1352","","","","","","1.046","","","","has coordinates","293748","2024-08-05","17:59:42",""
"1571818","23.913","0.002","7.635","0.0007","27.048","0.002","90","","93.244","0.007","90","","4930.4","0.7","100","0.1","100","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","(2',6'dimethoxy-[1,1'-biphenyl]-2-yl)methanol","","- C15 H16 O3 -","- C15 H16 O3 -","- C240 H256 O48 -","16","2","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1524","0.0797","","","0.2118","0.2463","","","","","","1.06","","","","has coordinates","292346","2024-06-13","02:33:06",""
"1571819","78.549","0.01","14.9682","0.0008","41.688","0.003","90","","99.709","0.011","90","","48312","8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C115.57 H79.8 I18 N36 O1.52 Zn9 -","- C115.572 H79.8038 I17.9998 N36 O1.5144 Zn8.9999 -","- C924.576 H638.43 I143.998 N288 O12.1152 Zn71.9992 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","K-L~3~","0.2071","0.1738","","","0.4738","0.5004","","","","","","1.035","","","","has coordinates,has disorder","292346","2024-06-13","02:33:08",""
"1571820","34.3474","0.0009","15.1342","0.0003","29.5974","0.0009","90","","100.42","0.002","90","","15131.6","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc cyclohexane solvate","","- C46.36 H44.73 I6 N12 Zn3 -","- C46.3632 H44.7264 I6 N12 Zn3 -","- C370.906 H357.811 I48 N96 Zn24 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0759","0.0641","","","0.1991","0.2075","","","","","","1.061","","","","has coordinates,has disorder","292346","2024-06-13","02:33:09",""
"1571821","78.299","0.004","14.9565","0.0003","41.6827","0.0016","90","","99.929","0.004","90","","48083","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C127.68 H101.08 I18 N36 O2.2 Zn9 -","- C127.681 H101.082 I17.9998 N36 O2.2029 Zn8.9999 -","- C1021.45 H808.653 I143.998 N288 O17.6232 Zn71.9992 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.2027","0.1602","","","0.4183","0.4444","","","","","","1.042","","","","has coordinates,has disorder","292346","2024-06-13","02:33:10",""
"1571822","34.4506","0.0011","15.0594","0.0004","30.1018","0.0014","90","","100.834","0.004","90","","15338.6","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I5.9996 N12 Zn2.9998 -","- C288 H192 I47.9968 N96 Zn23.9984 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0702","0.0588","","","0.1837","0.1926","","","","","","1.065","","","","has coordinates,has disorder","292346","2024-06-13","02:33:11",""
"1571823","34.1537","0.0011","15.1026","0.0003","29.0899","0.0012","90","","99.542","0.004","90","","14797.2","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I6 N12 Zn3 -","- C288 H192 I48 N96 Zn24 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0862","0.0567","","","0.1605","0.1768","","","","","","0.986","","","","has coordinates,has disorder","292346","2024-06-13","02:33:12",""
"1571824","34.4353","0.0008","15.0604","0.0003","30.1558","0.0014","90","","100.809","0.003","90","","15361.6","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I6.001 N12 Zn3.0005 -","- C288 H192 I48.008 N96 Zn24.004 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0636","0.0502","","","0.1527","0.1617","","","","","","1.071","","","","has coordinates,has disorder","292346","2024-06-13","02:33:12",""
"1571825","78.3675","0.0018","14.9505","0.0002","41.6842","0.0007","90","","99.853","0.002","90","","48118.2","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C117.5 H82.13 I18 N36 O1.9 Zn9 -","- C117.495 H82.128 I18.0002 N36 O1.899 Zn9.0001 -","- C939.96 H657.024 I144.002 N288 O15.192 Zn72.0008 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1937","0.167","","","0.4218","0.4374","","","","","","1.048","","","","has coordinates,has disorder","292346","2024-06-13","02:33:12",""
"1571826","34.4432","0.0011","15.0627","0.0004","30.2136","0.0014","90","","100.996","0.004","90","","15387.3","1","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc cyclohexane solvate","","- C37.73 H27.46 I6 N12 Zn3 -","- C37.731 H27.462 I6 N12 Zn3 -","- C301.848 H219.696 I48 N96 Zn24 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1114","0.0902","","","0.2797","0.297","","","","","","1.047","","","","has coordinates,has disorder","292346","2024-06-13","02:33:12",""
"1571827","78.371","0.002","14.9291","0.0004","41.6991","0.0013","90","","99.869","0.003","90","","48066","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C123.96 H93.85 I18 N36 O2.16 Zn9 -","- C123.958 H93.8476 I18.0004 N36 O2.1576 Zn9.0002 -","- C991.666 H750.781 I144.003 N288 O17.2608 Zn72.0016 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1677","0.132","","","0.372","0.3966","","","","","","1.034","","","","has coordinates,has disorder","292346","2024-06-13","02:33:12",""
"1571828","34.0757","0.0018","15.0947","0.0006","29.186","0.002","90","","99.38","0.006","90","","14811.5","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I5.9998 N12 Zn2.9999 -","- C288 H192 I47.9984 N96 Zn23.9992 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1228","0.0918","","","0.3039","0.3413","","","","","","1.177","","","","has coordinates,has disorder","292346","2024-06-13","02:33:13",""
"1571829","34.3094","0.0009","15.0823","0.0003","29.8583","0.001","90","","100.538","0.003","90","","15190","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I6.0002 N12 Zn3.0001 -","- C288 H192 I48.0016 N96 Zn24.0008 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0763","0.0505","","","0.1443","0.156","","","","","","1.052","","","","has coordinates,has disorder","292346","2024-06-13","02:33:13",""
"1571830","34.3373","0.0011","15.0894","0.0003","29.5872","0.0011","90","","100.291","0.003","90","","15083.4","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc cyclohexane solvate","","- C38.4 H28.81 I6 N12 Zn3 -","- C38.403 H28.806 I5.9984 N12 Zn2.9992 -","- C307.224 H230.448 I47.9872 N96 Zn23.9936 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0917","0.0746","","","0.2339","0.2527","","","","","","1.051","","","","has coordinates,has disorder","292346","2024-06-13","02:33:13",""
"1571831","33.994","0.005","15.064","0.0007","29.295","0.005","90","","99.334","0.015","90","","14803","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I6 N12 Zn3 -","- C288 H192 I48 N96 Zn24 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1738","0.1223","","","0.3725","0.4221","","","","","","1.266","","","","has coordinates,has disorder","292346","2024-06-13","02:33:13",""
"1571832","34.2193","0.0011","15.073","0.0004","29.5041","0.0012","90","","99.979","0.003","90","","14987.6","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I6.0014 N12 Zn3.0007 -","- C288 H192 I48.0112 N96 Zn24.0056 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0745","0.0597","","","0.196","0.2103","","","","","","1.102","","","","has coordinates,has disorder","292346","2024-06-13","02:33:13",""
"1571833","34.3369","0.0012","15.0656","0.0004","29.814","0.0012","90","","100.46","0.003","90","","15166.7","0.9","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I5.9998 N12 Zn2.9999 -","- C288 H192 I47.9984 N96 Zn23.9992 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.08","0.0653","","","0.2153","0.2282","","","","","","1.095","","","","has coordinates,has disorder","292346","2024-06-13","02:33:13",""
"1571834","34.494","0.0013","15.0307","0.0003","30.3347","0.0013","90","","101.054","0.004","90","","15435.8","1","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I5.9996 N12 Zn2.9998 -","- C288 H192 I47.9968 N96 Zn23.9984 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1094","0.0844","","","0.272","0.2947","","","","","","1.093","","","","has coordinates,has disorder","292346","2024-06-13","02:33:13",""
"1571835","34.7075","0.0008","14.9722","0.0003","31.1023","0.0009","90","","102.185","0.002","90","","15798.1","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C38.78 H26.97 I6 N12 O0.56 Zn3 -","- C38.7825 H26.968 I5.9998 N12 O0.5565 Zn2.9999 -","- C310.26 H215.744 I47.9984 N96 O4.452 Zn23.9992 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1126","0.0936","","","0.3026","0.3224","","","","","","1.049","","","","has coordinates,has disorder","292346","2024-06-13","02:33:13",""
"1571836","34.5442","0.0016","15.0184","0.0003","30.549","0.002","90","","101.346","0.005","90","","15539","1.3","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I6 N12 Zn3 -","- C288 H192 I48 N96 Zn24 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1127","0.092","","","0.2865","0.3057","","","","","","1.111","","","","has coordinates,has disorder","292346","2024-06-13","02:33:13",""
"1571837","78.142","0.004","14.9754","0.0002","41.6691","0.0013","90","","99.702","0.004","90","","48064","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C122.39 H90.76 I18 N36 O2.14 Zn9 -","- C122.389 H90.7644 I18.0002 N36 O2.1456 Zn9.0001 -","- C979.109 H726.115 I144.002 N288 O17.1648 Zn72.0008 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","K-L~3~","0.1697","0.1401","","","0.3562","0.3743","","","","","","1.062","","","","has coordinates,has disorder","292346","2024-06-13","02:33:13",""
"1571838","34.4567","0.0017","15.0045","0.0004","30.444","0.002","90","","101.219","0.006","90","","15438.9","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexachloro-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I6 N12 Zn3 -","- C288 H192 I48 N96 Zn24 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1006","0.0791","","","0.2581","0.2769","","","","","","1.085","","","","has coordinates,has disorder","292346","2024-06-13","02:33:13",""
"1571839","34.3531","0.0008","15.0637","0.0004","29.9781","0.0011","90","","100.634","0.003","90","","15246.8","0.8","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexachloro-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I6.0057 N12 Zn3 -","- C288 H192 I48.0456 N96 Zn24 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0826","0.0708","","","0.2214","0.2322","","","","","","1.084","","","","has coordinates,has disorder","292346","2024-06-13","02:33:13",""
"1571840","31.4246","0.0009","14.9857","0.0003","34.4395","0.0009","90","","101.976","0.003","90","","15865.2","0.7","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C78.84 H55.3 I12 N24 O1.37 Zn6 -","- C78.8445 H55.3008 I12 N24 O1.3689 Zn6 -","- C315.378 H221.203 I48 N96 O5.4756 Zn24 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1408","0.0981","","","0.3081","0.3416","","","","","","1.033","","","","has coordinates,has disorder","292346","2024-06-13","02:33:13",""
"1571841","34.458","0.002","15.0078","0.0004","30.486","0.003","90","","101.242","0.007","90","","15463","1.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I5.9998 N12 Zn2.9999 -","- C288 H192 I47.9984 N96 Zn23.9992 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.115","0.0899","","","0.2952","0.3206","","","","","","1.117","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571842","78.5587","0.0018","14.9697","0.0002","41.6779","0.0006","90","","100.259","0.002","90","","48229.6","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C129.97 H101.68 I18 N36 O3.06 Zn9 -","- C129.965 H101.676 I18 N36 O3.0546 Zn9 -","- C1039.72 H813.408 I144 N288 O24.4368 Zn72 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0943","0.07","","","0.2201","0.2396","","","","","","1.045","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571843","78.8715","0.001","14.9502","0.0001","41.6531","0.0004","90","","100.102","0.001","90","","48353.6","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C119.57 H84.34 I18 N36 O2.31 Zn9 -","- C119.572 H84.344 I17.9998 N36 O2.3145 Zn8.9999 -","- C956.58 H674.752 I143.998 N288 O18.516 Zn71.9992 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.112","0.094","","","0.2889","0.3037","","","","","","1.055","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571844","78.606","0.002","14.9668","0.0002","41.6349","0.0006","90","","100.127","0.002","90","","48219.5","1.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C118.5 H83.2 I18 N36 O2.1 Zn9 -","- C118.504 H83.2048 I18 N36 O2.1009 Zn9 -","- C948.036 H665.638 I144 N288 O16.8072 Zn72 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.136","0.1121","","","0.326","0.3451","","","","","","1.053","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571845","77.257","0.006","15.0021","0.0008","41.5124","0.0018","90","","100.342","0.005","90","","47332","5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C122.16 H87.11 I18 N36 O2.83 Zn9 -","- C122.162 H87.1056 I17.9996 N36 O2.8323 Zn8.9998 -","- C977.292 H696.845 I143.997 N288 O22.6584 Zn71.9984 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1928","0.1289","","","0.3878","0.446","","","","","","1.033","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571846","34.5084","0.0012","14.9904","0.0004","31.4216","0.0016","90","","101.916","0.004","90","","15904","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C39.88 H28.14 I6 N12 O0.78 Zn3 -","- C39.8848 H28.1438 I5.9998 N12 O0.777 Zn2.9999 -","- C319.078 H225.15 I47.9984 N96 O6.216 Zn23.9992 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1523","0.1258","","","0.3841","0.406","","","","","","1.073","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571847","34.4933","0.0018","15.028","0.0004","30.223","0.002","90","","101.026","0.006","90","","15377.4","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexachloro-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I5.9998 N12 Zn2.9999 -","- C288 H192 I47.9984 N96 Zn23.9992 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1619","0.139","","","0.4334","0.4599","","","","","","1.119","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571848","31.387","0.002","15.0302","0.0005","34.2836","0.0016","90","","101.803","0.005","90","","15831.4","1.4","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C82.77 H61.36 I12 N24 O1.75 Zn6 -","- C82.77 H61.3556 I12 N24 O1.7538 Zn6 -","- C331.08 H245.422 I48 N96 O7.0152 Zn24 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.2013","0.1782","","","0.4197","0.432","","","","","","1.064","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571849","78.813","0.002","14.9644","0.0003","41.657","0.0009","90","","100.061","0.002","90","","48374.3","1.9","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C118.14 H82.81 I18 N36 O2.03 Zn9 -","- C118.137 H82.8128 I18 N36 O2.0274 Zn9 -","- C945.096 H662.502 I144 N288 O16.2192 Zn72 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1789","0.1424","","","0.414","0.4404","","","","","","1.018","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571850","78.4975","0.0016","14.9701","0.0002","41.6228","0.0006","90","","100.008","0.002","90","","48167.3","1.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C133.79 H110.09 I18 N36 O2.89 Zn9 -","- C133.792 H110.093 I17.9994 N36 O2.8908 Zn8.9997 -","- C1070.33 H880.742 I143.995 N288 O23.1264 Zn71.9976 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1175","0.0931","","","0.2669","0.2849","","","","","","1.081","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571851","34.4145","0.0009","14.9918","0.0003","31.0574","0.001","90","","101.744","0.002","90","","15688.2","0.7","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C39.49 H27.72 I6 N12 O0.7 Zn3 -","- C39.486 H27.7184 I6 N12 O0.6972 Zn3 -","- C315.888 H221.747 I48 N96 O5.5776 Zn24 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1173","0.0933","","","0.3037","0.3307","","","","","","1.063","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571852","77.629","0.003","15.0298","0.0004","41.5537","0.0014","90","","100.445","0.003","90","","47679","3","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C116 H81.63 I18 N36 O1.37 Zn9 -","- C116 H81.6268 I18 N36 O1.3656 Zn9 -","- C927.998 H653.014 I144 N288 O10.9248 Zn72 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.2313","0.1606","","","0.4665","0.527","","","","","","1.017","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571853","78.288","0.006","14.9666","0.0007","41.6314","0.0019","90","","99.913","0.006","90","","48051","5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C115.54 H80.04 I18 N36 O1.51 Zn9 -","- C115.538 H80.04 I17.9998 N36 O1.5075 Zn8.9999 -","- C924.3 H640.32 I143.998 N288 O12.06 Zn71.9992 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.2225","0.1636","","","0.4455","0.4906","","","","","","1.028","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571854","34.4156","0.0009","15.0804","0.0003","30.0607","0.0016","90","","100.709","0.004","90","","15329.8","1","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I6.0004 N12 Zn3.0002 -","- C288 H192 I48.0032 N96 Zn24.0016 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1041","0.0864","","","0.2709","0.289","","","","","","1.087","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571855","31.5433","0.0011","15.0035","0.0003","34.4229","0.0012","90","","101.974","0.003","90","","15936.5","0.9","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C87.42 H68.09 I12 N24 O2.31 Zn6 -","- C87.4212 H68.0876 I11.9996 N24 O2.3046 Zn5.9998 -","- C349.685 H272.35 I47.9984 N96 O9.2184 Zn23.9992 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1299","0.0978","","","0.2843","0.307","","","","","","1.05","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571856","34.48","0.0019","15.0207","0.0004","30.258","0.002","90","","101.076","0.006","90","","15379.1","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I5.9996 N12 Zn2.9998 -","- C288 H192 I47.9968 N96 Zn23.9984 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0866","0.0678","","","0.2252","0.2425","","","","","","1.082","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571857","78.834","0.003","14.969","0.0003","41.7028","0.0012","90","","100.198","0.003","90","","48435","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C143 H124.58 I18 N36 O3.73 Zn9 -","- C143.004 H124.581 I17.9998 N36 O3.7344 Zn8.9999 -","- C1144.03 H996.646 I143.998 N288 O29.8752 Zn71.9992 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1488","0.1201","","","0.34","0.3586","","","","","","1.062","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571858","31.4571","0.0013","14.9918","0.0003","34.361","0.0012","90","","101.834","0.003","90","","15860.2","0.9","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C82.19 H58.83 I12 N24 O2.04 Zn6 -","- C82.194 H58.8326 I11.9978 N24 O2.0388 Zn5.9989 -","- C328.776 H235.33 I47.9912 N96 O8.1552 Zn23.9956 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1477","0.1135","","","0.3243","0.348","","","","","","1.057","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571859","34.561","0.002","14.99","0.0006","31.38","0.003","90","","102.08","0.006","90","","15897","1.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C40.06 H28.33 I6 N12 O0.81 Zn3 -","- C40.062 H28.3328 I5.9998 N12 O0.8124 Zn2.9999 -","- C320.496 H226.662 I47.9984 N96 O6.4992 Zn23.9992 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","K-L~3~","0.1181","0.0964","","","0.3059","0.3264","","","","","","1.067","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571860","31.5355","0.0009","14.9866","0.0004","34.4588","0.0011","90","","101.931","0.003","90","","15933.8","0.8","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C85.04 H63.33 I12 N24 O2.09 Zn6 -","- C85.0449 H64.3276 I12 N24 O2.0919 Zn6 -","- C340.18 H257.31 I48 N96 O8.3676 Zn24 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1456","0.122","","","0.335","0.3509","","","","","","1.075","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571861","31.6699","0.0009","14.978","0.0002","34.5752","0.0009","90","","102.239","0.002","90","","16028","0.7","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C84.39 H63.55 I12 N24 O2 Zn6 -","- C84.3956 H63.5472 I12.0008 N24 O1.998 Zn6.0004 -","- C337.582 H254.189 I48.0032 N96 O7.992 Zn24.0016 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.12","0.0913","","","0.2718","0.2939","","","","","","1.069","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571862","31.5527","0.0006","14.9736","0.0002","34.5612","0.0006","90","","102.244","0.002","90","","15957.3","0.5","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C84.04 H62.85 I12 N24 O1.98 Zn6 -","- C84.045 H62.8444 I12.001 N24 O1.9812 Zn6.0005 -","- C336.18 H251.378 I48.004 N96 O7.9248 Zn24.002 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1047","0.0795","","","0.2493","0.2725","","","","","","1.039","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571863","31.5154","0.001","15.0261","0.0005","34.3648","0.0012","90","","101.863","0.003","90","","15926","0.9","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C84.74 H64.37 I12 N24 O1.95 Zn6 -","- C84.7347 H64.3708 I12 N24 O1.9497 Zn6 -","- C338.939 H257.483 I48 N96 O7.7988 Zn24 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.158","0.1268","","","0.3621","0.3848","","","","","","1.058","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571864","34.581","0.0014","14.9867","0.0003","31.5551","0.0015","90","","102.106","0.004","90","","15989.9","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C40.42 H28.72 I6 N12 O0.88 Zn3 -","- C40.425 H28.72 I6.001 N12 O0.885 Zn3.0005 -","- C323.4 H229.76 I48.008 N96 O7.08 Zn24.004 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1407","0.1233","","","0.3522","0.365","","","","","","1.052","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571865","31.6098","0.0009","15.0289","0.0002","34.3656","0.0008","90","","101.939","0.003","90","","15972.6","0.6","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C94.73 H79.09 I12 N24 O3.08 Zn6 -","- C94.7277 H79.0872 I12 N24 O3.0789 Zn6 -","- C378.911 H316.349 I48 N96 O12.3156 Zn24 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1152","0.0957","","","0.2742","0.2871","","","","","","1.112","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571866","34.412","0.002","15.0303","0.0005","29.994","0.003","90","","100.858","0.007","90","","15235.8","1.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I5.9984 N12 Zn2.9992 -","- C288 H192 I47.9872 N96 Zn23.9936 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1166","0.0899","","","0.3042","0.3336","","","","","","1.105","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571867","31.5448","0.0008","14.9824","0.0002","34.3898","0.0008","90","","102.066","0.002","90","","15894.1","0.6","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C88.38 H69.11 I12 N24 O2.48 Zn6 -","- C88.3755 H69.1604 I12 N24 O2.4837 Zn6 -","- C353.502 H276.642 I48 N96 O9.9348 Zn24 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1024","0.0825","","","0.2556","0.2729","","","","","","1.055","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571868","31.6622","0.0007","15.0003","0.0002","34.4418","0.0008","90","","102.214","0.002","90","","15987.6","0.6","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C82.5 H59.2 I12 N24 O2.1 Zn6 -","- C82.5015 H59.2016 I12 N24 O2.1003 Zn6 -","- C330.006 H236.806 I48 N96 O8.4012 Zn24 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1587","0.1433","","","0.4434","0.4536","","","","","","1.039","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571869","31.4491","0.0006","15.0235","0.0002","34.215","0.0005","90","","101.68","0.002","90","","15831","0.4","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C87.95 H67.9 I12 N24 O2.58 Zn6 -","- C87.9552 H67.8984 I11.9998 N24 O2.574 Zn5.9999 -","- C351.821 H271.594 I47.9992 N96 O10.296 Zn23.9996 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0964","0.0803","","","0.247","0.2602","","","","","","1.045","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571870","31.5672","0.0006","15.0183","0.0002","34.3644","0.0005","90","","102.009","0.002","90","","15935.1","0.5","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C90.62 H72.78 I12 N24 O2.67 Zn6 -","- C90.6174 H72.772 I12 N24 O2.6706 Zn6 -","- C362.47 H291.088 I48 N96 O10.6824 Zn24 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","K-L~3~","0.0931","0.0766","","","0.2403","0.2557","","","","","","1.046","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571871","31.479","0.0008","15.0233","0.0003","34.2503","0.0006","90","","101.732","0.002","90","","15859.2","0.6","100","0.1","100","0.1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C85.35 H63.69 I12 N24 O2.36 Zn6 -","- C85.3548 H63.6916 I12 N24 O2.361 Zn6 -","- C341.419 H254.766 I48 N96 O9.444 Zn24 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1418","0.1149","","","0.3535","0.3774","","","","","","1.016","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571872","31.549","0.0009","15.0248","0.0003","34.3298","0.001","90","","101.853","0.003","90","","15925.9","0.7","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C90.9 H73.02 I12 N24 O2.74 Zn6 -","- C90.9054 H73.0204 I12 N24 O2.7408 Zn6 -","- C363.622 H292.082 I48 N96 O10.9632 Zn24 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1487","0.1239","","","0.3246","0.3421","","","","","","1.061","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571873","31.5077","0.0005","14.9991","0.0001","34.4289","0.0006","90","","102.086","0.001","90","","15910","0.4","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C100.99 H91.97 I12 N24 O2.88 Zn6 -","- C100.985 H92.5388 I12 N24 O2.8779 Zn6 -","- C403.938 H370.155 I48 N96 O11.5116 Zn24 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0848","0.0705","","","0.2089","0.2208","","","","","","1.064","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571874","31.5685","0.0008","15.041","0.0003","34.3133","0.0009","90","","101.955","0.002","90","","15939.3","0.7","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C90.17 H71.8 I12 N24 O2.69 Zn6 -","- C90.1692 H71.7972 I11.9978 N24 O2.6874 Zn5.9989 -","- C360.677 H287.189 I47.9912 N96 O10.7496 Zn23.9956 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1411","0.1219","","","0.3322","0.3445","","","","","","1.091","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571875","34.3804","0.0016","15.0439","0.0005","30.32","0.0017","90","","101.107","0.005","90","","15388.2","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I5.9998 N12 Zn2.9999 -","- C288 H192 I47.9984 N96 Zn23.9992 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1379","0.1191","","","0.3901","0.4189","","","","","","1.116","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571876","31.6878","0.0007","14.9984","0.0003","34.4068","0.0008","90","","102.171","0.002","90","","15984.8","0.6","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C92.12 H75.43 I12 N24 O2.75 Zn6 -","- C92.1198 H75.4268 I12 N24 O2.7456 Zn6 -","- C368.479 H301.707 I48 N96 O10.9824 Zn24 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1037","0.0874","","","0.2576","0.2691","","","","","","1.095","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571877","31.5313","0.0006","15.0299","0.0002","34.2616","0.0005","90","","101.863","0.002","90","","15890.2","0.5","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C88.1 H68.2 I12 N24 O2.57 Zn6 -","- C88.104 H68.2016 I11.9996 N24 O2.5728 Zn5.9998 -","- C352.416 H272.806 I47.9984 N96 O10.2912 Zn23.9992 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0972","0.0797","","","0.2613","0.2796","","","","","","1.035","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571878","31.6222","0.0019","14.9929","0.0006","34.405","0.002","90","","102.192","0.006","90","","15943.8","1.5","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C95.66 H80.05 I12.01 N24 O3.27 Zn6.01 -","- C95.6562 H80.0468 I12 N24 O3.2712 Zn6 -","- C382.625 H320.187 I48 N96 O13.0848 Zn24 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1687","0.1477","","","0.3505","0.3623","","","","","","1.104","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571879","35.2833","0.0005","14.9084","0.0002","31.7352","0.0004","90","","102.721","0.001","90","","16283.5","0.4","100","0.3","100","0.3","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I6 N12 Zn3 -","- C288 H192 I48 N96 Zn24 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0354","0.0323","","","0.0931","0.0946","","","","","","1.098","","","","has coordinates,has disorder","292346","2024-06-13","02:33:16",""
"1571880","35.3636","0.0007","14.9223","0.0002","31.7483","0.0006","90","","102.783","0.002","90","","16338.5","0.5","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I6 N12 Zn3 -","- C288 H192 I48 N96 Zn24 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.053","0.0474","","","0.1466","0.1508","","","","","","1.083","","","","has coordinates,has disorder","292346","2024-06-13","02:33:16",""
"1571881","35.3704","0.0005","14.9099","0.0002","31.7401","0.0004","90","","102.78","0.001","90","","16324.1","0.4","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I6 N12 Zn3 -","- C288 H192 I48 N96 Zn24 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0489","0.0443","","","0.1357","0.1385","","","","","","1.118","","","","has coordinates,has disorder","292346","2024-06-13","02:33:16",""
"1571882","18.8343","0.0003","29.6438","0.0005","32.8648","0.0005","67.924","0.001","74.74","0.001","73.01","0.001","16016.3","0.5","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","phenyl(p-tolyl)methanone (absorbed in crystalline sponge)","","- C252.44 H188.95 I24 N48 O7.74 Zn12 -","- C252.444 H188.952 I24.0002 N48 O7.746 Zn12.0001 -","- C504.888 H377.904 I48.0004 N96 O15.492 Zn24.0002 -","2","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.129","0.1089","","","0.3369","0.3547","","","","","","1.045","","","","has coordinates,has disorder","292346","2024-06-13","02:33:16",""
"1571883","35.2498","0.0004","14.9012","0.0001","31.359","0.0004","90","","102.417","0.001","90","","16086.5","0.3","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","phenyl(p-tolyl)methanone","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I6 N12 Zn3 -","- C288 H192 I48 N96 Zn24 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0362","0.0302","","","0.0925","0.0952","","","","","","1.088","","","","has coordinates,has disorder","292346","2024-06-13","02:33:16",""
"1571884","15.0552","0.0006","18.943","0.0007","30.8258","0.0009","99.996","0.003","93.338","0.003","110.091","0.003","8064.7","0.5","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","phenyl(p-tolyl)methanone (absorbed in crystalline sponge)","","- C95.17 H67.86 I12 N24 O1.65 Zn6 -","- C95.1714 H67.8612 I12 N24 O1.6551 Zn6 -","- C190.343 H135.722 I24 N48 O3.3102 Zn12 -","2","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.2155","0.1831","","","0.5043","0.5273","","","","","","1.031","","","","has coordinates,has disorder","292346","2024-06-13","02:33:16",""
"1571885","11.4614","0.0006","12.9693","0.0005","15.9143","0.0006","101.429","0.003","106.498","0.004","92.924","0.004","2208.7","0.18","293","2","293","2","","","","","","","","5","P 1","P 1","1","Co(II)-RibN2","8","","- C98 H123 Co2 N4 O10 -","- C98 H123 Co2 N4 O10 -","- C98 H123 Co2 N4 O10 -","1","1","","Pandey, Sachchida Nand; Sengupta, Arunava; Bera, Rajib; Ali, Sohel; Yadav, Somnath","A sugar-derived ligand for room temperature aerial oxidation or non-aqueous Markovnikov hydration of styrenes using a preformed or in situ generated Co complex","Catalysis Science & Technology","2024","14","16","4487","4495","10.1039/D4CY00522H","","x-ray","0.71073","MoKα","","0.0499","0.0395","","","0.0893","0.0953","","","","","","1.033","","","","has coordinates","294399","2024-09-05","22:48:40",""
"1571886","9.0877","0.0006","10.7172","0.0012","14.3707","0.0011","90","","90","","90","","1399.6","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Br O -","- C15 H15 Br O -","- C60 H60 Br4 O4 -","4","1","","Zhao, Yankun; Yan, Hongya; Zhang, Yulian; Zhou, Tao; Tian, Mengxing; Zhang, Chongzhou; Yuan, Shan; Qiu, Hanyue; He, Ling; Zhang, Min","Catalytic asymmetric intramolecular propargylation of cyclopropanols to access the cuparane core.","Chemical science","2024","15","28","10963","10968","10.1039/d4sc02504k","","x-ray","0.71073","MoKα","","0.1258","0.0565","","","0.1135","0.142","","","","","","1.016","","","","has coordinates","293752","2024-08-05","18:00:34",""
"1571887","6.6478","0.0003","10.5086","0.0005","26.9042","0.0015","90","","90","","90","","1879.5","0.16","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 O2 -","- C23 H24 O2 -","- C92 H96 O8 -","4","1","","Zhao, Yankun; Yan, Hongya; Zhang, Yulian; Zhou, Tao; Tian, Mengxing; Zhang, Chongzhou; Yuan, Shan; Qiu, Hanyue; He, Ling; Zhang, Min","Catalytic asymmetric intramolecular propargylation of cyclopropanols to access the cuparane core.","Chemical science","2024","15","28","10963","10968","10.1039/d4sc02504k","","x-ray","0.71073","MoKα","","0.08","0.0556","","","0.1219","0.1392","","","","","","1.065","","","","has coordinates","293752","2024-08-05","18:00:34",""
"1571888","6.5199","0.0003","8.9739","0.0005","19.7834","0.001","90","","96.52","0.005","90","","1150.02","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H35 N3 O2 -","- C25 H35 N3 O2 -","- C50 H70 N6 O4 -","2","1","","Zhao, Yankun; Yan, Hongya; Zhang, Yulian; Zhou, Tao; Tian, Mengxing; Zhang, Chongzhou; Yuan, Shan; Qiu, Hanyue; He, Ling; Zhang, Min","Catalytic asymmetric intramolecular propargylation of cyclopropanols to access the cuparane core.","Chemical science","2024","15","28","10963","10968","10.1039/d4sc02504k","","x-ray","0.71073","MoKα","","0.0748","0.0498","","","0.1328","0.1471","","","","","","1.141","","","","has coordinates","293752","2024-08-05","18:00:34",""
"1571889","12.4747","0.0004","6.5828","0.0001","15.4889","0.0004","90","","110.054","0.003","90","","1194.81","0.06","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H28 O4 -","- C29 H28 O4 -","- C58 H56 O8 -","2","1","","Zhao, Yankun; Yan, Hongya; Zhang, Yulian; Zhou, Tao; Tian, Mengxing; Zhang, Chongzhou; Yuan, Shan; Qiu, Hanyue; He, Ling; Zhang, Min","Catalytic asymmetric intramolecular propargylation of cyclopropanols to access the cuparane core.","Chemical science","2024","15","28","10963","10968","10.1039/d4sc02504k","","x-ray","1.54184","CuKα","","0.0387","0.0364","","","0.0964","0.0999","","","","","","1.039","","","","has coordinates","293752","2024-08-05","18:00:34",""
"1571890","11.1934","0.0005","12.5189","0.0006","14.5833","0.0006","98.996","0.002","94.719","0.002","103.136","0.002","1950.79","0.15","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C48 H37 Cl2 N5 O Zn -","- C48 H37 Cl2 N5 O Zn -","- C96 H74 Cl4 N10 O2 Zn2 -","2","1","","Trouvé, Jonathan; Delahaye, Vanessa; Tomasini, Michele; Rajeshwaran, Purushothaman; Roisnel, Thierry; Poater, Albert; Gramage-Doria, Rafael","Repurposing a supramolecular iridium catalyst <i>via</i> secondary Zn⋯O[double bond, length as m-dash]C weak interactions between the ligand and substrate leads to <i>ortho</i>-selective C(sp<sup>2</sup>)-H borylation of benzamides with unusual kinetics.","Chemical science","2024","15","30","11794","11806","10.1039/d4sc01515k","","x-ray","0.71073","MoKα","","0.0462","0.0371","","","0.0915","0.0961","","","","","","1.05","","","","has coordinates","293768","2024-08-05","18:08:06",""
"1571891","6.17394","0.00011","8.78352","0.00019","24.0129","0.0005","90","","91.6839","0.0018","90","","1301.63","0.05","140","0.1","140","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 O2 -","- C14 H22 O2 -","- C56 H88 O8 -","4","1","","Nicolai, Stefano; Waser, Jérôme","Lewis acid catalyzed [4+2] annulation of bicyclobutanes with dienol ethers for the synthesis of bicyclo[4.1.1]octanes.","Chemical science","2024","15","28","10823","10829","10.1039/d4sc02767a","","x-ray","1.54184","CuKα","","0.0448","0.0405","","","0.1068","0.111","","","","","","1.07","","","","has coordinates","293749","2024-08-05","17:59:53",""
"1571892","17.7615","0.0002","6.40467","0.00008","13.86477","0.00015","90","","95.9318","0.0011","90","","1568.76","0.03","140","0.1","140","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 O2 -","- C21 H22 O2 -","- C84 H88 O8 -","4","1","","Nicolai, Stefano; Waser, Jérôme","Lewis acid catalyzed [4+2] annulation of bicyclobutanes with dienol ethers for the synthesis of bicyclo[4.1.1]octanes.","Chemical science","2024","15","28","10823","10829","10.1039/d4sc02767a","","x-ray","1.54184","CuKα","","0.0442","0.0405","","","0.106","0.1104","","","","","","1.042","","","","has coordinates","293749","2024-08-05","17:59:53",""
"1571893","8.11476","0.00018","10.472","0.0002","10.7595","0.0004","67.728","0.003","74.021","0.002","82.9324","0.0019","813.23","0.04","140","0.1","140","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C21 H22 O2 -","- C21 H22 O2 -","- C42 H44 O4 -","2","1","","Nicolai, Stefano; Waser, Jérôme","Lewis acid catalyzed [4+2] annulation of bicyclobutanes with dienol ethers for the synthesis of bicyclo[4.1.1]octanes.","Chemical science","2024","15","28","10823","10829","10.1039/d4sc02767a","","x-ray","1.54184","CuKα","","0.0455","0.0409","","","0.1107","0.114","","","","","","1.07","","","","has coordinates","293749","2024-08-05","17:59:53",""
"1571894","13.6691","0.0002","14.5906","0.0002","17.0239","0.0002","67.9371","0.0013","68.7098","0.0013","89.8358","0.0011","2896.62","0.08","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C98 H83 N O28 P4 S12 Si W12 -","- C98 H83 N O28 P4 S12 Si W12 -","- C98 H83 N O28 P4 S12 Si W12 -","1","1","","Yonesato, Kentaro; Yamaguchi, Kazuya; Suzuki, Kosuke","Synthesis of polyoxothiometalates through site-selective post-editing sulfurization of polyoxometalates.","Chemical science","2024","15","29","11267","11271","10.1039/d4sc02912g","","x-ray","0.4142","synchrotron","","0.0248","0.0245","","","0.0684","0.0686","","","","","","1.04","","","","has coordinates,has disorder","293728","2024-08-05","17:52:27",""
"1571895","8.2197","0.0002","9.7011","0.0002","11.5746","0.0002","113.735","0.002","92.388","0.002","99.774","0.002","826.42","0.03","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N2 O5 S2 -","- C16 H18 N2 O5 S2 -","- C32 H36 N4 O10 S4 -","2","1","","Hua, Yong; Zou, Zhi; Prescimone, Alessandro; Ward, Thomas R.; Mayor, Marcel; Köhler, Valentin","NSPs: chromogenic linkers for fast, selective, and irreversible cysteine modification.","Chemical science","2024","15","28","10997","11004","10.1039/d4sc01710b","","x-ray","1.54186","CuKα","","0.0381","0.0379","","","0.1009","0.101","","","","","","1.085","","","","has coordinates","293745","2024-08-05","17:58:37",""
"1571896","8.878","0.005","11.878","0.008","15.7","0.008","69.02","0.03","75.24","0.03","75.18","0.03","1469.8","1.5","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H98 Fe2 I2 P4 -","- C54 H98 Fe2 I2 P4 -","- C54 H98 Fe2 I2 P4 -","1","0.5","","Zurakowski, Joseph A.; Durfy, Connor S.; Stocek, Noah B.; Fanchini, Giovanni; Drover, Marcus W.","Oxidatively-induced C(sp<sup>3</sup>)-C(sp<sup>3</sup>) bond formation at a tucked-in iron(iii) complex.","Chemical science","2024","15","27","10359","10365","10.1039/d4sc03292f","","","0.71073","MoKα","","0.0524","0.0432","","","0.1106","0.1192","","","","","","1.119","","","","has coordinates","293753","2024-08-05","18:01:12",""
"1571897","12.9873","0.0005","18.8387","0.0007","17.5741","0.0008","90","","90","","90","","4299.7","0.3","269","0.6","269","0.6","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C7 H11 I6 N2 Pb2 -","- C7 H11 I6 N2 Pb2 -","- C56 H88 I48 N16 Pb16 -","8","1","","Fan, Chang-Chun; Liu, Cheng-Dong; Liang, Bei-Dou; Ju, Tong-Yu; Wang, Wei; Jin, Ming-Liang; Chai, Chao-Yang; Zhang, Wen","Chiral three-dimensional organic-inorganic lead iodide hybrid semiconductors.","Chemical science","2024","15","29","11374","11381","10.1039/d4sc00954a","","x-ray","0.71073","MoKα","","0.0361","0.0286","","","0.0593","0.0612","","","","","","0.974","","","","has coordinates","293732","2024-08-05","17:53:58",""
"1571898","12.9493","0.0003","18.7108","0.0005","17.6439","0.0005","90","","90","","90","","4274.97","0.19","239.99","0.1","239.99","0.1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C7 H12 I6 N2 Pb2 -","- C7 H12 I6 N2 Pb2 -","- C56 H96 I48 N16 Pb16 -","8","1","","Fan, Chang-Chun; Liu, Cheng-Dong; Liang, Bei-Dou; Ju, Tong-Yu; Wang, Wei; Jin, Ming-Liang; Chai, Chao-Yang; Zhang, Wen","Chiral three-dimensional organic-inorganic lead iodide hybrid semiconductors.","Chemical science","2024","15","29","11374","11381","10.1039/d4sc00954a","","x-ray","0.71073","MoKα","","0.0578","0.0551","","","0.1602","0.1639","","","","","","1.064","","","","has coordinates","293732","2024-08-05","17:54:01",""
"1571899","12.9621","0.0007","18.7875","0.0013","17.6666","0.0009","90","","90","","90","","4302.3","0.4","298.53","0.1","298.53","0.1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C7 H11 I6 N2 Pb2 -","- C7 H11 I6 N2 Pb2 -","- C56 H88 I48 N16 Pb16 -","8","1","","Fan, Chang-Chun; Liu, Cheng-Dong; Liang, Bei-Dou; Ju, Tong-Yu; Wang, Wei; Jin, Ming-Liang; Chai, Chao-Yang; Zhang, Wen","Chiral three-dimensional organic-inorganic lead iodide hybrid semiconductors.","Chemical science","2024","15","29","11374","11381","10.1039/d4sc00954a","","x-ray","0.71073","MoKα","","0.0791","0.0424","","","0.0952","0.1058","","","","","","1.075","","","","has coordinates,has disorder","293732","2024-08-05","17:54:01",""
"1571900","12.9279","0.0004","18.7521","0.0006","17.66","0.0005","90","","90","","90","","4281.2","0.2","239.97","0.1","239.97","0.1","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C7 H8 I6 N2 Pb2 -","- C7 H8 I6 N2 Pb2 -","- C56 H64 I48 N16 Pb16 -","8","0.5","","Fan, Chang-Chun; Liu, Cheng-Dong; Liang, Bei-Dou; Ju, Tong-Yu; Wang, Wei; Jin, Ming-Liang; Chai, Chao-Yang; Zhang, Wen","Chiral three-dimensional organic-inorganic lead iodide hybrid semiconductors.","Chemical science","2024","15","29","11374","11381","10.1039/d4sc00954a","","x-ray","0.71073","MoKα","","0.0667","0.0561","","","0.152","0.1619","","","","","","1.036","","","","has coordinates","293732","2024-08-05","17:54:01",""
"1571901","12.9972","0.0003","18.8397","0.0007","17.5687","0.0006","90","","90","","90","","4301.9","0.2","267.4","0.4","267.4","0.4","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C7 H12 I6 N2 Pb2 -","- C7 H12 I6 N2 Pb2 -","- C56 H96 I48 N16 Pb16 -","8","1","","Fan, Chang-Chun; Liu, Cheng-Dong; Liang, Bei-Dou; Ju, Tong-Yu; Wang, Wei; Jin, Ming-Liang; Chai, Chao-Yang; Zhang, Wen","Chiral three-dimensional organic-inorganic lead iodide hybrid semiconductors.","Chemical science","2024","15","29","11374","11381","10.1039/d4sc00954a","","x-ray","0.71073","MoKα","","0.0856","0.0681","","","0.1653","0.1807","","","","","","1.005","","","","has coordinates","293732","2024-08-05","17:54:01",""
"1571902","9.4743","0.0007","17.7301","0.0012","6.5088","0.0004","90","","90","","90","","1093.35","0.13","425","0.1","425","0.1","","","","","","","","5","C 2 2 2","C 2 2","21","","","","- C7 H12 I6 N2 Pb2 -","- C7 H12 I6 N2 Pb2 -","- C14 H24 I12 N4 Pb4 -","2","0.25","","Fan, Chang-Chun; Liu, Cheng-Dong; Liang, Bei-Dou; Ju, Tong-Yu; Wang, Wei; Jin, Ming-Liang; Chai, Chao-Yang; Zhang, Wen","Chiral three-dimensional organic-inorganic lead iodide hybrid semiconductors.","Chemical science","2024","15","29","11374","11381","10.1039/d4sc00954a","","x-ray","0.71073","MoKα","","0.0566","0.0414","","","0.1052","0.1096","","","","","","1.107","","","","has coordinates,has disorder","293732","2024-08-05","17:54:01",""
"1571903","9.4786","0.0005","17.7233","0.001","6.5033","0.0004","90","","90","","90","","1092.5","0.11","425","0.3","425","0.3","","","","","","","","5","C 2 2 2","C 2 2","21","","","","- C7 H12 I6 N2 Pb2 -","- C7 H12 I6 N2 Pb2 -","- C14 H24 I12 N4 Pb4 -","2","0.25","","Fan, Chang-Chun; Liu, Cheng-Dong; Liang, Bei-Dou; Ju, Tong-Yu; Wang, Wei; Jin, Ming-Liang; Chai, Chao-Yang; Zhang, Wen","Chiral three-dimensional organic-inorganic lead iodide hybrid semiconductors.","Chemical science","2024","15","29","11374","11381","10.1039/d4sc00954a","","x-ray","0.71073","MoKα","","0.0557","0.0327","","","0.0723","0.077","","","","","","1.059","","","","has coordinates,has disorder","293732","2024-08-05","17:54:01",""
"1571904","12.9335","0.0006","18.7349","0.0008","17.6358","0.0008","90","","90","","90","","4273.3","0.3","245.03","0.1","245.03","0.1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C7 H12 I6 N2 Pb2 -","- C7 H12 I6 N2 Pb2 -","- C56 H96 I48 N16 Pb16 -","8","1","","Fan, Chang-Chun; Liu, Cheng-Dong; Liang, Bei-Dou; Ju, Tong-Yu; Wang, Wei; Jin, Ming-Liang; Chai, Chao-Yang; Zhang, Wen","Chiral three-dimensional organic-inorganic lead iodide hybrid semiconductors.","Chemical science","2024","15","29","11374","11381","10.1039/d4sc00954a","","x-ray","0.71073","MoKα","","0.09","0.0684","","","0.1748","0.1865","","","","","","1.021","","","","has coordinates","293732","2024-08-05","17:54:01",""
"1571905","12.9548","0.0006","18.8648","0.0009","17.6101","0.0007","90","","90","","90","","4303.7","0.3","299.13","0.1","299.13","0.1","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C7 H12 I6 N2 Pb2 -","- C7 H12 I6 N2 Pb2 -","- C56 H96 I48 N16 Pb16 -","8","0.5","","Fan, Chang-Chun; Liu, Cheng-Dong; Liang, Bei-Dou; Ju, Tong-Yu; Wang, Wei; Jin, Ming-Liang; Chai, Chao-Yang; Zhang, Wen","Chiral three-dimensional organic-inorganic lead iodide hybrid semiconductors.","Chemical science","2024","15","29","11374","11381","10.1039/d4sc00954a","","x-ray","0.71073","MoKα","","0.0762","0.0517","","","0.1058","0.1151","","","","","","1.054","","","","has coordinates,has disorder","293732","2024-08-05","17:54:01",""
"1571906","12.9629","0.0003","18.7955","0.0005","17.6714","0.0005","90","","90","","90","","4305.53","0.19","297.98","0.1","297.98","0.1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C7 H12 I6 N2 Pb2 -","- C7 H12 I6 N2 Pb2 -","- C56 H96 I48 N16 Pb16 -","8","1","","Fan, Chang-Chun; Liu, Cheng-Dong; Liang, Bei-Dou; Ju, Tong-Yu; Wang, Wei; Jin, Ming-Liang; Chai, Chao-Yang; Zhang, Wen","Chiral three-dimensional organic-inorganic lead iodide hybrid semiconductors.","Chemical science","2024","15","29","11374","11381","10.1039/d4sc00954a","","x-ray","0.71073","MoKα","","0.0767","0.0488","","","0.1343","0.1492","","","","","","0.991","","","","has coordinates,has disorder","293732","2024-08-05","17:54:01",""
"1571907","4.6313","0.0014","3.395","0.0013","5.0794","0.0013","90","","99.3885","","90","","78.79","0.04","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","CuO","","","- Cu O -","- Cu O -","- Cu4 O4 -","4","0.5","","Pawar, Shweta M.; Patil, Satyajeet S.; Sonawane, Kailas D.; More, Vikramsinh B.; Patil, Pramod S.","Hydrothermally synthesized copper oxide nanoparticles: Rietveld analysis and antimicrobial studies","Surfaces and Interfaces","2024","51","","104598","","10.1016/j.surfin.2024.104598","","","","","","","","","","","","","","","","","","","","","has coordinates","292420","2024-06-15","05:23:16",""
"1571908","11.8687","0.0017","27.971","0.004","21.374","0.003","90","","95.254","0.005","90","","7065.9","1.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H78 Al N6 O3 P -","- C64 H78 Al N6 O3 P -","- C256 H312 Al4 N24 O12 P4 -","4","1","","Kohl, Senta J.; Sigmund, Lukas M.; Schmitt, Manuel; Greb, Lutz","Nitrogen monoxide and calix[4]pyrrolato aluminate: structural constraint enabled NO dimerization.","Chemical science","2024","15","28","10803","10809","10.1039/d4sc02378a","","x-ray","0.71073","MoKα","","0.0953","0.0699","","","0.1782","0.1949","","","","","","1.04","","","","has coordinates","293743","2024-08-05","17:58:06",""
"1571909","12.7974","0.0008","13.9223","0.0008","17.5632","0.001","72.594","0.002","80.317","0.002","63.381","0.002","2667.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H57 Al N5 O P -","- C58 H57 Al N5 O P -","- C116 H114 Al2 N10 O2 P2 -","2","1","","Kohl, Senta J.; Sigmund, Lukas M.; Schmitt, Manuel; Greb, Lutz","Nitrogen monoxide and calix[4]pyrrolato aluminate: structural constraint enabled NO dimerization.","Chemical science","2024","15","28","10803","10809","10.1039/d4sc02378a","","x-ray","0.71073","MoKα","","0.056","0.0424","","","0.1122","0.1225","","","","","","1.029","","","","has coordinates","293743","2024-08-05","17:58:06",""
"1571910","12.1087","0.0005","16.7894","0.0006","23.7857","0.0007","87.462","0.003","85.545","0.004","73.63","0.004","4624.3","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H48 Al F15 N4 P4 W -","- C38 H48 Al F15 N4 P4 W -","- C152 H192 Al4 F60 N16 P16 W4 -","4","2","","Escomel, Léon; Martins, Frederico F.; Vendier, Laure; Coffinet, Anaïs; Queyriaux, Nicolas; Krewald, Vera; Simonneau, Antoine","Coordination of Al(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> <i>vs.</i> B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> on group 6 end-on dinitrogen complexes: chemical and structural divergences.","Chemical science","2024","15","29","11321","11336","10.1039/d4sc02713b","","x-ray","1.54184","CuKα","","0.0753","0.0851","","0.1837","0.1977","0.1837","","","","","","1.0231","","","","has coordinates","293726","2024-08-05","17:52:01",""
"1571911","14.6308","0.0001","15.5072","0.0001","15.9055","0.0002","77.247","0.001","69.209","0.001","85.109","0.001","3290.37","0.06","100","","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H48 Al F15 Mo N4 P4 -","- C70 H48 Al F15 Mo N4 P4 -","- C140 H96 Al2 F30 Mo2 N8 P8 -","2","1","","Escomel, Léon; Martins, Frederico F.; Vendier, Laure; Coffinet, Anaïs; Queyriaux, Nicolas; Krewald, Vera; Simonneau, Antoine","Coordination of Al(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> <i>vs.</i> B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> on group 6 end-on dinitrogen complexes: chemical and structural divergences.","Chemical science","2024","15","29","11321","11336","10.1039/d4sc02713b","","x-ray","1.54184","CuKα","","0.0398","0.0379","","0.1108","0.1091","0.1108","","","","","","0.9765","","","","has coordinates","293726","2024-08-05","17:52:02",""
"1571912","12.0871","0.0004","16.7971","0.0003","23.8312","0.0004","87.584","0.002","85.376","0.003","73.657","0.002","4626.8","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H48 Al F15 Mo N4 P4 -","- C38 H48 Al F15 Mo N4 P4 -","- C152 H192 Al4 F60 Mo4 N16 P16 -","4","2","","Escomel, Léon; Martins, Frederico F.; Vendier, Laure; Coffinet, Anaïs; Queyriaux, Nicolas; Krewald, Vera; Simonneau, Antoine","Coordination of Al(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> <i>vs.</i> B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> on group 6 end-on dinitrogen complexes: chemical and structural divergences.","Chemical science","2024","15","29","11321","11336","10.1039/d4sc02713b","","x-ray","1.54184","CuKα","","0.0928","0.0657","","","0.1659","0.1792","","","","","","1.055","","","","has coordinates","293726","2024-08-05","17:52:02",""
"1571913","13.6036","0.0003","14.8872","0.0002","22.4046","0.0004","85.059","0.0013","73.4254","0.0018","80.3608","0.0015","4283.9","0.14","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C70 H48 Al F15 N4 P4 W -","- C70 H48 Al F15 N4 P4 W -","- C140 H96 Al2 F30 N8 P8 W2 -","2","1","","Escomel, Léon; Martins, Frederico F.; Vendier, Laure; Coffinet, Anaïs; Queyriaux, Nicolas; Krewald, Vera; Simonneau, Antoine","Coordination of Al(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> <i>vs.</i> B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> on group 6 end-on dinitrogen complexes: chemical and structural divergences.","Chemical science","2024","15","29","11321","11336","10.1039/d4sc02713b","","x-ray","1.54184","CuKα","","0.0692","0.0613","","0.1775","0.168","0.1775","","","","","","0.9589","","","","has coordinates","293726","2024-08-05","17:52:02",""
"1571914","20.2615","0.0002","25.2623","0.0002","24.4599","0.0002","90","","98.884","0.001","90","","12369.7","0.19","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H38 Al2 Cr F30 N4 P4 -","- C54 H38 Al2 Cr F30 N4 P4 -","- C432 H304 Al16 Cr8 F240 N32 P32 -","8","2","","Escomel, Léon; Martins, Frederico F.; Vendier, Laure; Coffinet, Anaïs; Queyriaux, Nicolas; Krewald, Vera; Simonneau, Antoine","Coordination of Al(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> <i>vs.</i> B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> on group 6 end-on dinitrogen complexes: chemical and structural divergences.","Chemical science","2024","15","29","11321","11336","10.1039/d4sc02713b","","x-ray","1.54184","CuKα","","0.0925","0.0824","","0.2323","0.2248","0.2323","","","","","","1.0008","","","","has coordinates","293726","2024-08-05","17:52:02",""
"1571915","12.2011","0.0001","24.511","0.0003","25.0556","0.0002","92.068","0.001","99.111","0.001","92.397","0.001","7385.21","0.13","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C68 H60 Al2 F30 Mo N4 P4 -","- C68 H60 Al2 F30 Mo N4 P4 -","- C272 H240 Al8 F120 Mo4 N16 P16 -","4","2","","Escomel, Léon; Martins, Frederico F.; Vendier, Laure; Coffinet, Anaïs; Queyriaux, Nicolas; Krewald, Vera; Simonneau, Antoine","Coordination of Al(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> <i>vs.</i> B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> on group 6 end-on dinitrogen complexes: chemical and structural divergences.","Chemical science","2024","15","29","11321","11336","10.1039/d4sc02713b","","x-ray","1.54184","CuKα","","0.0789","0.0699","","0.1801","0.1731","0.1801","","","","","","1.0137","","","","has coordinates","293726","2024-08-05","17:52:02",""
"1571916","10.01668","0.00016","12.25253","0.00019","17.2703","0.0003","79.313","0.0013","88.9694","0.0013","70.6686","0.0014","1963.23","0.06","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H32 Al Cr F15 N4 P4 -","- C30 H32 Al Cr F15 N4 P4 -","- C60 H64 Al2 Cr2 F30 N8 P8 -","2","1","","Escomel, Léon; Martins, Frederico F.; Vendier, Laure; Coffinet, Anaïs; Queyriaux, Nicolas; Krewald, Vera; Simonneau, Antoine","Coordination of Al(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> <i>vs.</i> B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> on group 6 end-on dinitrogen complexes: chemical and structural divergences.","Chemical science","2024","15","29","11321","11336","10.1039/d4sc02713b","","x-ray","1.54184","CuKα","","0.04","0.0377","","0.1141","0.1118","0.1141","","","","","","0.984","","","","has coordinates","293726","2024-08-05","17:52:02",""
"1571917","12.2122","0.0002","24.4664","0.0003","25.0551","0.0003","92.078","0.001","99.059","0.002","92.541","0.001","7378.43","0.18","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C68 H60 Al2 F30 N4 P4 W -","- C68 H60 Al2 F30 N4 P4 W -","- C272 H240 Al8 F120 N16 P16 W4 -","4","2","","Escomel, Léon; Martins, Frederico F.; Vendier, Laure; Coffinet, Anaïs; Queyriaux, Nicolas; Krewald, Vera; Simonneau, Antoine","Coordination of Al(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> <i>vs.</i> B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> on group 6 end-on dinitrogen complexes: chemical and structural divergences.","Chemical science","2024","15","29","11321","11336","10.1039/d4sc02713b","","x-ray","1.54184","CuKα","","0.0634","0.06","","0.1494","0.1472","0.1494","","","","","","0.9886","","","","has coordinates","293726","2024-08-05","17:52:02",""
"1571918","13.9151","0.0001","14.0458","0.0001","20.9884","0.0001","79.92","","80.39","","71.409","0.001","3800.84","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H56 Al2 F30 N4 P4 W -","- C63 H56 Al2 F30 N4 P4 W -","- C126 H112 Al4 F60 N8 P8 W2 -","2","1","","Escomel, Léon; Martins, Frederico F.; Vendier, Laure; Coffinet, Anaïs; Queyriaux, Nicolas; Krewald, Vera; Simonneau, Antoine","Coordination of Al(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> <i>vs.</i> B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> on group 6 end-on dinitrogen complexes: chemical and structural divergences.","Chemical science","2024","15","29","11321","11336","10.1039/d4sc02713b","","x-ray","1.54184","CuKα","","0.0269","0.0264","","","0.0693","0.0696","","","","","","1.065","","","","has coordinates","293726","2024-08-05","17:52:02",""
"1571919","13.44705","0.00013","13.61546","0.00015","24.0453","0.0002","75.1197","0.0009","82.064","0.0009","76.0014","0.0009","4114.84","0.07","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C75 H52 Al2 F30 N4 P4 W -","- C75 H52 Al2 F30 N4 P4 W -","- C150 H104 Al4 F60 N8 P8 W2 -","2","1","","Escomel, Léon; Martins, Frederico F.; Vendier, Laure; Coffinet, Anaïs; Queyriaux, Nicolas; Krewald, Vera; Simonneau, Antoine","Coordination of Al(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> <i>vs.</i> B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> on group 6 end-on dinitrogen complexes: chemical and structural divergences.","Chemical science","2024","15","29","11321","11336","10.1039/d4sc02713b","","x-ray","1.54184","CuKα","","0.0479","0.0457","","0.1211","0.1188","0.1211","","","","","","0.9973","","","","has coordinates","293726","2024-08-05","17:52:02",""
"1571920","14.901","0.0004","14.901","0.0004","64.976","0.003","90","","90","","90","","14427.3","0.9","100","","100","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C93 H61 Cl3 N8 O2 -","- C93 H61 Cl3 N8 O2 -","- C744 H488 Cl24 N64 O16 -","8","1","","Li, Ranran; Ma, Bin; Li, Meng; Wang, Dan; Liu, Peng; An, Peng","Multi-heteroatom doped nanographenes: enhancing photosensitization capacity by forming an electron donor-acceptor architecture.","Chemical science","2024","15","29","11408","11417","10.1039/d4sc02416h","","x-ray","1.54178","CuKα","","0.1378","0.1089","","","0.2827","0.306","","","","","","1.031","","","","has coordinates","293735","2024-08-05","17:55:03",""
"1571921","12.9051","0.0005","10.5743","0.0005","25.9985","0.0013","90","","95.55","0.002","90","","3531.2","0.3","102","","102","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C47 H34 Cl2 N4 O -","- C47 H34 Cl2 N4 O -","- C188 H136 Cl8 N16 O4 -","4","2","","Li, Ranran; Ma, Bin; Li, Meng; Wang, Dan; Liu, Peng; An, Peng","Multi-heteroatom doped nanographenes: enhancing photosensitization capacity by forming an electron donor-acceptor architecture.","Chemical science","2024","15","29","11408","11417","10.1039/d4sc02416h","","","0.71073","MoKα","","0.1055","0.063","","","0.1392","0.1632","","","","","","1.02","","","","has coordinates","293735","2024-08-05","17:55:03",""
"1571922","13.9675","0.001","15.5987","0.0011","17.3739","0.0013","101.977","0.003","92.5","0.003","105.115","0.003","3555.6","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C93 H66 Cl2 N8 Se2 -","- C93 H66 Cl2 N8 Se2 -","- C186 H132 Cl4 N16 Se4 -","2","1","","Li, Ranran; Ma, Bin; Li, Meng; Wang, Dan; Liu, Peng; An, Peng","Multi-heteroatom doped nanographenes: enhancing photosensitization capacity by forming an electron donor-acceptor architecture.","Chemical science","2024","15","29","11408","11417","10.1039/d4sc02416h","","x-ray","1.54178","CuKα","","0.0418","0.039","","","0.0945","0.0962","","","","","","1.071","","","","has coordinates,has disorder","293735","2024-08-05","17:55:03",""
"1571923","30.4838","0.0004","30.4838","0.0004","17.4815","0.0003","90","","90","","120","","14068.5","0.4","301.2","","301.2","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C26 H32 Cl In N6 O12 -","- C26 H32 Cl In N6 O12 -","- C468 H576 Cl18 In18 N108 O216 -","18","0.5","","Simms, Megan E.; Li, Zhiyao; Sibley, Megan M.; Ivanov, Alexander S.; Lara, Caroline M.; Johnstone, Timothy C.; Kertesz, Vilmos; Fears, Amanda; White, Frankie D.; Thorek, Daniel L. J.; Thiele, Nikki A.","PYTA: a universal chelator for advancing the theranostic palette of nuclear medicine.","Chemical science","2024","15","29","11279","11286","10.1039/d3sc06854d","","","0.71073","MoKα","","0.0315","0.0251","","","0.0617","0.0655","","","","","","1.039","","","","has coordinates,has disorder","293734","2024-08-05","17:54:36",""
"1571924","13.012","0.005","14.323","0.005","15.919","0.006","90","","99.63","0.02","90","","2925","1.9","300.8","","300.8","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H40 Cu N6 O12 -","- C26 H40 Cu N6 O12 -","- C104 H160 Cu4 N24 O48 -","4","0.5","","Simms, Megan E.; Li, Zhiyao; Sibley, Megan M.; Ivanov, Alexander S.; Lara, Caroline M.; Johnstone, Timothy C.; Kertesz, Vilmos; Fears, Amanda; White, Frankie D.; Thorek, Daniel L. J.; Thiele, Nikki A.","PYTA: a universal chelator for advancing the theranostic palette of nuclear medicine.","Chemical science","2024","15","29","11279","11286","10.1039/d3sc06854d","","","0.71073","MoKα","","0.0461","0.0366","","","0.0928","0.0985","","","","","","1.031","","","","has coordinates","293734","2024-08-05","17:54:38",""
"1571925","37.2521","0.0006","11.0181","0.0002","14.5531","0.0002","90","","90.106","0.001","90","","5973.27","0.17","300.4","","300.4","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H37 N6 O11 Sc -","- C26 H37 N6 O11 Sc -","- C208 H296 N48 O88 Sc8 -","8","1","","Simms, Megan E.; Li, Zhiyao; Sibley, Megan M.; Ivanov, Alexander S.; Lara, Caroline M.; Johnstone, Timothy C.; Kertesz, Vilmos; Fears, Amanda; White, Frankie D.; Thorek, Daniel L. J.; Thiele, Nikki A.","PYTA: a universal chelator for advancing the theranostic palette of nuclear medicine.","Chemical science","2024","15","29","11279","11286","10.1039/d3sc06854d","","","0.71073","MoKα","","0.0529","0.0444","","","0.1172","0.1234","","","","","","1.039","","","","has coordinates,has disorder","293734","2024-08-05","17:54:38",""
"1571926","7.1427","0.0003","9.1744","0.0004","9.7896","0.0004","97.571","0.003","107.127","0.004","95.412","0.004","601.69","0.05","100.01","0.11","100.01","0.11","","","","","","","","4","P -1","-P 1","2","","","","- C14 H11 F3 O3 -","- C14 H11 F3 O3 -","- C28 H22 F6 O6 -","2","1","","Biswas, Soumen; Empel, Claire; Sanchez-Palestino, Luis Mario; Arman, Hadi; Koenigs, Rene M.; Doyle, Michael P.","Denitrogenative dismantling of heteroaromatics by nucleophilic substitution reactions with diazomethyl compounds.","Chemical science","2024","15","28","11065","11071","10.1039/d4sc01578a","","x-ray","1.54184","CuKα","","0.0414","0.0365","","","0.0994","0.1034","","","","","","1.056","","","","has coordinates","293750","2024-08-05","18:00:04",""
"1571927","10.4348","0.0002","9.9373","0.0002","18.8362","0.0003","90","","99.256","0.002","90","","1927.76","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N5 O4 -","- C20 H17 N5 O4 -","- C80 H68 N20 O16 -","4","1","","Biswas, Soumen; Empel, Claire; Sanchez-Palestino, Luis Mario; Arman, Hadi; Koenigs, Rene M.; Doyle, Michael P.","Denitrogenative dismantling of heteroaromatics by nucleophilic substitution reactions with diazomethyl compounds.","Chemical science","2024","15","28","11065","11071","10.1039/d4sc01578a","","x-ray","1.54184","CuKα","","0.0534","0.0464","","","0.1182","0.1231","","","","","","1.025","","","","has coordinates,has disorder","293750","2024-08-05","18:00:05",""
"1571928","21.3965","0.0002","15.0939","0.0002","24.2325","0.0003","90","","92.625","0.001","90","","7817.83","0.16","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45.13 H106.82 Hf Mo10 N5 O36.78 -","- C45.128 H106.82 Hf Mo10 N5 O36.782 -","- C180.512 H427.28 Hf4 Mo40 N20 O147.128 -","4","1","","Shiels, Dominic; Brennessel, William W.; Crawley, Matthew R.; Matson, Ellen M.","Leveraging a reduced polyoxomolybdate-alkoxide cluster for the formation of a stable U(v) sandwich complex.","Chemical science","2024","15","28","11072","11083","10.1039/d4sc02644f","","x-ray","0.71073","MoKα","","0.0498","0.0394","","","0.0779","0.0812","","","","","","1.025","","","","has coordinates,has disorder","293747","2024-08-05","17:59:28",""
"1571929","12.8161","0.0002","15.4649","0.0002","19.9194","0.0003","87.176","0.001","84.075","0.001","73.714","0.001","3768.5","0.1","100.01","0.16","100.01","0.16","","","","","","","","6","P -1","-P 1","2","","","","- C42 H99 Mo10 N5 O36 Th -","- C42 H99 Mo10 N5 O36 Th -","- C84 H198 Mo20 N10 O72 Th2 -","2","1","","Shiels, Dominic; Brennessel, William W.; Crawley, Matthew R.; Matson, Ellen M.","Leveraging a reduced polyoxomolybdate-alkoxide cluster for the formation of a stable U(v) sandwich complex.","Chemical science","2024","15","28","11072","11083","10.1039/d4sc02644f","","x-ray","0.56087","AgKα","","0.0372","0.0252","","","0.0507","0.053","","","","","","1.04","","","","has coordinates,has disorder","293747","2024-08-05","17:59:29",""
"1571930","16.31","0.0001","21.2206","0.0001","18.9017","0.0001","90","","103.313","0.001","90","","6366.22","0.07","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26.61 H65.22 Cl5.22 Mo10 N3 O36 U -","- C26.609 H65.218 Cl5.218 Mo10 N3 O36 U -","- C106.436 H260.872 Cl20.872 Mo40 N12 O144 U4 -","4","1","","Shiels, Dominic; Brennessel, William W.; Crawley, Matthew R.; Matson, Ellen M.","Leveraging a reduced polyoxomolybdate-alkoxide cluster for the formation of a stable U(v) sandwich complex.","Chemical science","2024","15","28","11072","11083","10.1039/d4sc02644f","","x-ray","1.54184","CuKα","","0.0404","0.0389","","","0.1028","0.1038","","","","","","1.093","","","","has coordinates,has disorder","293747","2024-08-05","17:59:29",""
"1571931","21.7821","0.0005","15.0682","0.0004","24.1223","0.0006","90","","92.925","0.002","90","","7907","0.3","100.2","0.4","100.2","0.4","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45.75 H108 Mo10 N5 O36 U -","- C42 H99 Mo10 N5 O36 U -","- C168 H396 Mo40 N20 O144 U4 -","4","1","","Shiels, Dominic; Brennessel, William W.; Crawley, Matthew R.; Matson, Ellen M.","Leveraging a reduced polyoxomolybdate-alkoxide cluster for the formation of a stable U(v) sandwich complex.","Chemical science","2024","15","28","11072","11083","10.1039/d4sc02644f","","x-ray","0.56087","AgKα","","0.0756","0.045","","","0.0972","0.1141","","","","","","1.061","","","","has coordinates,has disorder","293747","2024-08-05","17:59:29",""
"1571932","21.4037","0.0002","15.094","0.0002","24.2093","0.0003","90","","92.655","0.001","90","","7812.84","0.16","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45.1 H106.75 Mo10 N5 O36.78 Zr -","- C45.104 H106.76 Mo10 N5 O36.776 Zr -","- C180.416 H427.04 Mo40 N20 O147.104 Zr4 -","4","1","","Shiels, Dominic; Brennessel, William W.; Crawley, Matthew R.; Matson, Ellen M.","Leveraging a reduced polyoxomolybdate-alkoxide cluster for the formation of a stable U(v) sandwich complex.","Chemical science","2024","15","28","11072","11083","10.1039/d4sc02644f","","x-ray","0.71073","MoKα","","0.0553","0.0445","","","0.0891","0.0929","","","","","","1.046","","","","has coordinates,has disorder","293747","2024-08-05","17:59:29",""
"1571933","25.733","0.002","25.06","0.002","20.5893","0.0016","90","","107.794","0.003","90","","12642.2","1.7","193","","193","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C106 H122 F4 N12 O2 S6 -","- C106 H122 F4 N12 O2 S6 -","- C424 H488 F16 N48 O8 S24 -","4","0.5","","Duan, Tainan; Wang, Jia; Zuo, Xiaochan; Bi, Xingqi; Zhong, Cheng; Li, Yulu; Long, Yuhong; Tu, Kaihuai; Zhang, Weichao; Yang, Ke; Zhou, Huiqiong; Wan, Xiangjian; Zhao, Yan; Kan, Bin; Chen, Yongsheng","The anti-correlation effect of alkyl chain size on the photovoltaic performance of centrally extended non-fullerene acceptors.","Materials horizons","2024","11","18","4413","4423","10.1039/d4mh00699b","","x-ray","1.34139","GaKα","","0.2404","0.1854","","","0.4187","0.45","","","","","","1.057","","","","has coordinates","295352","2024-10-06","09:32:56",""
"1571934","20.6737","0.0013","21.441","0.0015","25.983","0.0019","90","","107.449","0.004","90","","10987.4","1.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","CH-HP","","- C96 H102 F4 N12 O2 S6 -","- C96 H102 F4 N12 O2 S6 -","- C384 H408 F16 N48 O8 S24 -","4","1","","Duan, Tainan; Wang, Jia; Zuo, Xiaochan; Bi, Xingqi; Zhong, Cheng; Li, Yulu; Long, Yuhong; Tu, Kaihuai; Zhang, Weichao; Yang, Ke; Zhou, Huiqiong; Wan, Xiangjian; Zhao, Yan; Kan, Bin; Chen, Yongsheng","The anti-correlation effect of alkyl chain size on the photovoltaic performance of centrally extended non-fullerene acceptors.","Materials horizons","2024","11","18","4413","4423","10.1039/d4mh00699b","","","1.54178","CuKα","","0.2641","0.1561","","","0.3549","0.4147","","","","","","1.013","","","","has coordinates","295352","2024-10-06","09:32:58",""
"1571935","7.1686","0.0003","10.0266","0.0004","22.71","0.0009","90","","90","","90","","1632.32","0.11","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H29 N O2 -","- C18 H29 N O2 -","- C72 H116 N4 O8 -","4","1","","Gary, Samuel; Woolley, Jack; Goia, Sofia; Bloom, Steven","Unlocking flavin photoacid catalysis through electrophotochemistry.","Chemical science","2024","15","29","11444","11454","10.1039/d4sc03054k","","","1.54178","CuKα","","0.05","0.0263","","","0.076","0.078","","","","","","1.065","","","","has coordinates","293725","2024-08-05","17:51:25",""
"1571936","15.304","0.002","16.518","0.003","12.812","0.002","90","","104.845","0.01","90","","3130.7","0.9","193","2","193","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C68 H66 F4 N8 O4 S3 -","- C68 H66 F4 N8 O4 S3 -","- C136 H132 F8 N16 O8 S6 -","2","1","","Chen, Yuzhong; Wu, Zeng; Chen, Zekun; Zhang, Shuixin; Li, Wenhao; Zhao, Yan; Wang, Yang; Liu, Yunqi","Molecular ""backbone surgery"" of electron-deficient heteroarenes based on dithienopyrrolobenzothiadiazole: conformation-dependent crystal structures and charge transport properties.","Chemical science","2024","15","30","11761","11774","10.1039/d4sc02794a","","","1.34139","GaKα","","0.3318","0.1793","","","0.3712","0.4396","","","","","","1.176","","","","has coordinates","293765","2024-08-05","18:07:19",""
"1571937","13.8827","0.0007","16.3666","0.0009","18.0937","0.0011","103.449","0.005","104.665","0.004","107.099","0.004","3585.7","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H76 F4 N8 O4 S4 -","- C75 H76 F4 N8 O4 S4 -","- C150 H152 F8 N16 O8 S8 -","2","1","","Chen, Yuzhong; Wu, Zeng; Chen, Zekun; Zhang, Shuixin; Li, Wenhao; Zhao, Yan; Wang, Yang; Liu, Yunqi","Molecular ""backbone surgery"" of electron-deficient heteroarenes based on dithienopyrrolobenzothiadiazole: conformation-dependent crystal structures and charge transport properties.","Chemical science","2024","15","30","11761","11774","10.1039/d4sc02794a","","x-ray","1.54178","CuKα","","0.1718","0.1082","","","0.2528","0.2834","","","","","","1.046","","","","has coordinates","293765","2024-08-05","18:07:20",""
"1571938","10.9852","0.001","14.5835","0.0012","26.719","0.003","98.535","0.002","98.131","0.002","105.597","0.002","4002.6","0.7","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C82 H86 F4 N8 O4 S5 -","- C82 H86 F4 N8 O4 S5 -","- C164 H172 F8 N16 O8 S10 -","2","1","","Chen, Yuzhong; Wu, Zeng; Chen, Zekun; Zhang, Shuixin; Li, Wenhao; Zhao, Yan; Wang, Yang; Liu, Yunqi","Molecular ""backbone surgery"" of electron-deficient heteroarenes based on dithienopyrrolobenzothiadiazole: conformation-dependent crystal structures and charge transport properties.","Chemical science","2024","15","30","11761","11774","10.1039/d4sc02794a","","x-ray","0.68878","synchrotronradiation","","0.1182","0.0903","","","0.2466","0.2774","","","","","","1.058","","","","has coordinates,has disorder","293765","2024-08-05","18:07:20",""
"1571939","12.0867","0.0003","13.1442","0.0003","13.3802","0.0003","90","","104.694","0.001","90","","2056.19","0.08","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 Fe I N3 Rh -","- C21 H25 Fe I N3 Rh -","- C84 H100 Fe4 I4 N12 Rh4 -","4","1","","Franc, Michal; Schulz, Jiří; Štěpnička, Petr","Facile synthesis and bonding of 4-ferrocenyl-1,2,4-triazol-5-ylidene complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11445","11453","10.1039/d4dt01433b","","","0.71073","MoKα","","0.0192","0.0166","","","0.034","0.0348","","","","","","1.05","","","","has coordinates,has disorder","293844","2024-08-05","18:58:12",""
"1571940","20.2983","0.0006","14.2658","0.0004","15.5783","0.0004","90","","108.205","0.001","90","","4285.2","0.2","120","2","120","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C41 H50 Au Cl3 Fe I N5 -","- C41 H50 Au Cl3 Fe I N5 -","- C164 H200 Au4 Cl12 Fe4 I4 N20 -","4","1","","Franc, Michal; Schulz, Jiří; Štěpnička, Petr","Facile synthesis and bonding of 4-ferrocenyl-1,2,4-triazol-5-ylidene complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11445","11453","10.1039/d4dt01433b","","","0.71073","MoKα","","0.0184","0.0184","","","0.0464","0.0465","","","","","","1.051","","","","has coordinates","293844","2024-08-05","18:58:14",""
"1571941","7.55855","0.00008","12.16674","0.00013","16.00467","0.00017","90","","94.7152","0.001","90","","1466.85","0.03","290","2","290","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(8-hydroxyquinolinium) naphthalene-1,5-disulfonate tetrahydrate","","- C28 H30 N2 O12 S2 -","- C28 H30 N2 O12 S2 -","- C56 H60 N4 O24 S4 -","2","0.5","WM4216","Nazarov, Yusufjon Eshkobilovich; Turaev, Khayit Khudaynazarovich; Alimnazarov, Bekmurod Khurramovich; Suyunov, Jabbor Ruziboevich; Umirova, Gulnora Abdurakhmonovna; Ibragimov, Bakhtiyar Tulyaganovich; Ashurov, Jamshid Mengnorovich","Bis(8-hydroxyquinolinium) naphthalene-1,5-disulfonate tetrahydrate","IUCrData","2024","9","6","","","10.1107/S2414314624005704","","x-ray","1.54184","CuKα","","0.0328","0.0307","","","0.0869","0.0886","","","","","","1.054","","","","has coordinates","292464","2024-06-19","02:05:05",""
"1571942","12.0335","0.0002","6.213","0.0001","16.2341","0.0003","90","","109.152","0.001","90","","1146.55","0.03","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H24 N2 O -","- C31 H24 N2 O -","- C62 H48 N4 O2 -","2","1","","Li, Yi; Ning, Lichao; Tang, Qi; Lan, Kexin; Yang, Bingqian; Lin, Qianchi; Feng, Xiaoming; Liu, Xiaohua","Asymmetric catalytic [1,3]- or [3,3]-sigmatropic rearrangement of 3-allyloxy-4<i>H</i>-chromenones and their analogues.","Chemical science","2024","15","28","11005","11012","10.1039/d4sc02201g","","","1.54178","CuKα","","0.0339","0.0316","","","0.0772","0.079","","","","","","1.07","","","","has coordinates","293742","2024-08-05","17:57:41",""
"1571943","11.5253","0.0003","11.264","0.0003","33.0222","0.001","90","","92.545","0.002","90","","4282.7","0.2","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 O3 -","- C27 H26 O3 -","- C216 H208 O24 -","8","2","","Arnold, Robert E.; Saska, Jan; Mesquita-Ribeiro, Raquel; Dajas-Bailador, Federico; Taylor, Laurence; Lewis, William; Argent, Stephen; Shao, Huiling; Houk, Kendall N.; Denton, Ross M.","Total synthesis, biological evaluation and biosynthetic re-evaluation of <i>Illicium</i>-derived neolignans.","Chemical science","2024","15","30","11783","11793","10.1039/d4sc03232b","","x-ray","1.54184","CuKα","","0.0916","0.0707","","","0.1523","0.1651","","","","","","1.089","","","","has coordinates,has disorder","293772","2024-08-05","18:11:12",""
"1571944","19.1851","0.0006","7.8229","0.0002","31.2872","0.0011","90","","90.51","0.003","90","","4695.5","0.3","120","2","120","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C29 H30 O4 -","- C28.997 H29.995 O4 -","- C231.976 H239.96 O32 -","8","1","","Arnold, Robert E.; Saska, Jan; Mesquita-Ribeiro, Raquel; Dajas-Bailador, Federico; Taylor, Laurence; Lewis, William; Argent, Stephen; Shao, Huiling; Houk, Kendall N.; Denton, Ross M.","Total synthesis, biological evaluation and biosynthetic re-evaluation of <i>Illicium</i>-derived neolignans.","Chemical science","2024","15","30","11783","11793","10.1039/d4sc03232b","","x-ray","1.54184","CuKα","","0.0497","0.0456","","","0.1214","0.1261","","","","","","1.04","","","","has coordinates,has disorder","293772","2024-08-05","18:11:12",""
"1571945","9.0694","0.0003","10.532","0.0003","17.2799","0.0006","90","","100.156","0.003","90","","1624.7","0.09","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 Br O3 -","- C19 H19 Br O3 -","- C76 H76 Br4 O12 -","4","1","","Arnold, Robert E.; Saska, Jan; Mesquita-Ribeiro, Raquel; Dajas-Bailador, Federico; Taylor, Laurence; Lewis, William; Argent, Stephen; Shao, Huiling; Houk, Kendall N.; Denton, Ross M.","Total synthesis, biological evaluation and biosynthetic re-evaluation of <i>Illicium</i>-derived neolignans.","Chemical science","2024","15","30","11783","11793","10.1039/d4sc03232b","","x-ray","1.54184","CuKα","","0.0307","0.0294","","","0.0777","0.0785","","","","","","1.104","","","","has coordinates","293772","2024-08-05","18:11:12",""
"1571946","17.6068","0.0005","7.4294","0.0002","12.3043","0.0004","90","","108.692","0.003","90","","1524.61","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Br O2 -","- C18 H17 Br O2 -","- C72 H68 Br4 O8 -","4","1","","Arnold, Robert E.; Saska, Jan; Mesquita-Ribeiro, Raquel; Dajas-Bailador, Federico; Taylor, Laurence; Lewis, William; Argent, Stephen; Shao, Huiling; Houk, Kendall N.; Denton, Ross M.","Total synthesis, biological evaluation and biosynthetic re-evaluation of <i>Illicium</i>-derived neolignans.","Chemical science","2024","15","30","11783","11793","10.1039/d4sc03232b","","x-ray","1.54184","CuKα","","0.0292","0.0291","","","0.075","0.0751","","","","","","1.188","","","","has coordinates","293772","2024-08-05","18:11:12",""
"1571947","31.4184","0.0009","4.96092","0.00016","21.7474","0.0007","90","","101.804","0.003","90","","3317.96","0.18","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 B2 O4 -","- C18 H18 B2 O4 -","- C144 H144 B16 O32 -","8","1","","Arnold, Robert E.; Saska, Jan; Mesquita-Ribeiro, Raquel; Dajas-Bailador, Federico; Taylor, Laurence; Lewis, William; Argent, Stephen; Shao, Huiling; Houk, Kendall N.; Denton, Ross M.","Total synthesis, biological evaluation and biosynthetic re-evaluation of <i>Illicium</i>-derived neolignans.","Chemical science","2024","15","30","11783","11793","10.1039/d4sc03232b","","x-ray","1.54184","CuKα","","0.0875","0.0835","","","0.2607","0.263","","","","","","1.151","","","","has coordinates,has disorder","293772","2024-08-05","18:11:12",""
"1571948","11.1367","0.0005","12.0896","0.0006","14.1443","0.0007","66.361","0.005","82.591","0.004","75.387","0.004","1687.31","0.16","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 Br O3 -","- C19 H19 Br O3 -","- C76 H76 Br4 O12 -","4","2","","Arnold, Robert E.; Saska, Jan; Mesquita-Ribeiro, Raquel; Dajas-Bailador, Federico; Taylor, Laurence; Lewis, William; Argent, Stephen; Shao, Huiling; Houk, Kendall N.; Denton, Ross M.","Total synthesis, biological evaluation and biosynthetic re-evaluation of <i>Illicium</i>-derived neolignans.","Chemical science","2024","15","30","11783","11793","10.1039/d4sc03232b","","x-ray","1.54184","CuKα","","0.0383","0.0357","","","0.1009","0.1022","","","","","","1.075","","","","has coordinates,has disorder","293772","2024-08-05","18:11:12",""
"1571949","8.0674","0.0003","10.0413","0.0005","11.4509","0.0005","90.265","0.004","105.787","0.004","106.88","0.004","850.63","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 Br O3 -","- C19 H19 Br O3 -","- C38 H38 Br2 O6 -","2","1","","Arnold, Robert E.; Saska, Jan; Mesquita-Ribeiro, Raquel; Dajas-Bailador, Federico; Taylor, Laurence; Lewis, William; Argent, Stephen; Shao, Huiling; Houk, Kendall N.; Denton, Ross M.","Total synthesis, biological evaluation and biosynthetic re-evaluation of <i>Illicium</i>-derived neolignans.","Chemical science","2024","15","30","11783","11793","10.1039/d4sc03232b","","x-ray","1.54184","CuKα","","0.0242","0.0234","","","0.0612","0.0617","","","","","","1.06","","","","has coordinates","293772","2024-08-05","18:11:12",""
"1571950","18.6576","0.0009","11.7041","0.0005","10.0865","0.0003","90","","102.695","0.004","90","","2148.75","0.16","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 O3 -","- C27 H26 O3 -","- C108 H104 O12 -","4","1","","Arnold, Robert E.; Saska, Jan; Mesquita-Ribeiro, Raquel; Dajas-Bailador, Federico; Taylor, Laurence; Lewis, William; Argent, Stephen; Shao, Huiling; Houk, Kendall N.; Denton, Ross M.","Total synthesis, biological evaluation and biosynthetic re-evaluation of <i>Illicium</i>-derived neolignans.","Chemical science","2024","15","30","11783","11793","10.1039/d4sc03232b","","x-ray","1.54184","CuKα","","0.0934","0.0584","","","0.1526","0.2029","","","","","","1.133","","","","has coordinates,has disorder","293772","2024-08-05","18:11:12",""
"1571951","18.025","0.004","7.2972","0.0018","22.077","0.007","90","","112.088","0.006","90","","2690.7","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Cu F10 P -","- C28 H20 Cu F10 P -","- C112 H80 Cu4 F40 P4 -","4","0.5","","Dong, Tao; Shen, Qilong; Tsui, Gavin Chit","Synthesis and application of well-defined [Ph<sub>4</sub>P]<sup>+</sup>[Cu(CF<sub>2</sub>CF<sub>3</sub>)<sub>2</sub>]<sup>-</sup> complex as a versatile pentafluoroethylating reagent.","Chemical science","2024","15","29","11550","11556","10.1039/d4sc02075h","","","0.71073","MoKα","","0.1435","0.0898","","","0.2473","0.2839","","","","","","1.069","","","","has coordinates,has disorder","293738","2024-08-05","17:56:28",""
"1571952","8.6676","0.0008","10.309","0.0008","15.1742","0.0013","75.237","0.007","82.715","0.007","71.385","0.008","1241","0.2","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H23 N O2 S2 -","- C28 H23 N O2 S2 -","- C56 H46 N2 O4 S4 -","2","1","","Yan, Shen; Luan, Yuxuan; Xu, Hailiang; Fan, Hao; Martin, León; Gupta, Arvind Kumar; Linke, Heiner; Meyhofer, Edgar; Reddy, Pramod; Pauly, Fabian; Wärnmark, Kenneth","How substituents tune quantum interference in meta-OPE3 molecular junctions to control thermoelectric transport.","Nanoscale","2024","16","29","13905","13914","10.1039/d4nr02188f","","","0.71073","MoKα","","0.1609","0.0584","","","0.0976","0.1383","","","","","","0.981","","","","has coordinates","293880","2024-08-05","19:38:30",""
"1571953","11.7163","0.0007","21.0713","0.0009","10.6802","0.0006","90","","116.822","0.008","90","","2353","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 N O4 S2 -","- C26 H17 N O4 S2 -","- C104 H68 N4 O16 S8 -","4","1","","Yan, Shen; Luan, Yuxuan; Xu, Hailiang; Fan, Hao; Martin, León; Gupta, Arvind Kumar; Linke, Heiner; Meyhofer, Edgar; Reddy, Pramod; Pauly, Fabian; Wärnmark, Kenneth","How substituents tune quantum interference in meta-OPE3 molecular junctions to control thermoelectric transport.","Nanoscale","2024","16","29","13905","13914","10.1039/d4nr02188f","","","0.71073","MoKα","","0.2043","0.0703","","","0.1802","0.2354","","","","","","1.005","","","","has coordinates","293880","2024-08-05","19:38:31",""
"1571954","5.9175","0.0003","5.9175","0.0003","5.9175","0.0003","90","","90","","90","","207.212","0.018","293","2","293","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Methylamonium bromide lead perovskite","","- C H6 Br3 N Pb -","- C0.9984 H5.9904 Br3 He0 N0.9984 Pb -","- C0.9984 H5.9904 Br3 He0 N0.9984 Pb -","1","0.0208333","","Testa, Marianna; De Santis, Antonio; Tinti, Gemma; Paoloni, Alessandro; Papalino, Giuseppe; Felici, Giulietto; Chubinidze, Zaza; Matteocci, Fabio; Auf der Maur, Matthias; Rizzato, Silvia; Lo Presti, Leonardo; Viola, Ilenia; Morganti, Silvio; Rovelli, Chiara","Direct detection of minimum ionizing charged particles in a perovskite single crystal detector with single particle sensitivity.","Nanoscale","2024","16","27","12918","12922","10.1039/d4nr01556h","","","0.71073","MoKα","","0.0106","0.0106","","","0.0305","0.0305","","","","","","1.271","","","","has coordinates,has disorder","293881","2024-08-05","19:38:43",""
"1571955","9.1681","0.0002","10.7295","0.0004","13.7336","0.0005","88.378","0.001","77.454","0.001","74.948","0.001","1272.89","0.07","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","Bu4N,(pzdt)AuCl2","tetrabutylammonium, (pyrazinedithiolate)dichloroaurate","","- C20 H38 Au Cl2 N3 S2 -","- C20 H38 Au Cl2 N3 S2 -","- C40 H76 Au2 Cl4 N6 S4 -","2","1","","Kharraz, Haia; Alemany, Pere; Canadell, Enric; Le Gal, Yann; Roisnel, Thierry; Cui, Hengbo; Kim, Kee Hoon; Fourmigué, Marc; Lorcy, Dominique","Mixed-ligand, radical, gold bis(dithiolene) complexes: from single-component conductors to controllable NIR-II absorbers.","Chemical science","2024","15","29","11604","11616","10.1039/d4sc03238a","","x-ray","0.71073","MoKα","","0.0234","0.022","","","0.0559","0.0568","","","","","","1.018","","","","has coordinates","293731","2024-08-05","17:53:26",""
"1571956","7.5222","0.0006","7.5384","0.0006","13.3073","0.0013","94.405","0.003","97.176","0.003","94.089","0.003","743.97","0.11","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","[Au(bdt)(Et-thiazdt)]","(Benzene-1,2-dithiolate)(N-Ethyl-thiazoline-2-one-4,5-dithiolate)gold","","- C11 H9 Au N S6 -","- C11 H9 Au N S6 -","- C22 H18 Au2 N2 S12 -","2","1","","Kharraz, Haia; Alemany, Pere; Canadell, Enric; Le Gal, Yann; Roisnel, Thierry; Cui, Hengbo; Kim, Kee Hoon; Fourmigué, Marc; Lorcy, Dominique","Mixed-ligand, radical, gold bis(dithiolene) complexes: from single-component conductors to controllable NIR-II absorbers.","Chemical science","2024","15","29","11604","11616","10.1039/d4sc03238a","","x-ray","0.71073","MoKα","","0.0198","0.0187","","","0.046","0.0467","","","","","","0.91","","","","has coordinates","293731","2024-08-05","17:53:28",""
"1571957","9.5242","0.0011","22.193","0.003","16.2006","0.0017","90","","105.821","0.004","90","","3294.6","0.7","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","(Bu4N)[Au(bdt)(Et-thiazdt)]","Tetrabutylammonium,(benzene-1,2-dithiolate)(N-Ethyl-thiazoline-2-one-4,5-dithiolate)aurate","","- C27 H45 Au N2 S6 -","- C27 H45 Au N2 S6 -","- C108 H180 Au4 N8 S24 -","4","1","","Kharraz, Haia; Alemany, Pere; Canadell, Enric; Le Gal, Yann; Roisnel, Thierry; Cui, Hengbo; Kim, Kee Hoon; Fourmigué, Marc; Lorcy, Dominique","Mixed-ligand, radical, gold bis(dithiolene) complexes: from single-component conductors to controllable NIR-II absorbers.","Chemical science","2024","15","29","11604","11616","10.1039/d4sc03238a","","x-ray","0.71073","MoKα","","0.0639","0.0451","","","0.1311","0.1463","","","","","","1.005","","","","has coordinates","293731","2024-08-05","17:53:28",""
"1571958","16.4609","0.0017","19.7757","0.0018","18.6188","0.0019","90","","90","","90","","6060.9","1","150","2","150","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","(Bu4N)[Au(bdt)2]","Tetrabutylammonium,bis(benzene-1,2-dithiolate)aurate","","- C28 H44 Au N S4 -","- C28 H44 Au N S4 -","- C224 H352 Au8 N8 S32 -","8","2","","Kharraz, Haia; Alemany, Pere; Canadell, Enric; Le Gal, Yann; Roisnel, Thierry; Cui, Hengbo; Kim, Kee Hoon; Fourmigué, Marc; Lorcy, Dominique","Mixed-ligand, radical, gold bis(dithiolene) complexes: from single-component conductors to controllable NIR-II absorbers.","Chemical science","2024","15","29","11604","11616","10.1039/d4sc03238a","","x-ray","0.71073","MoKα","","0.0187","0.0162","","","0.0388","0.0402","","","","","","0.872","","","","has coordinates","293731","2024-08-05","17:53:28",""
"1571959","20.4897","0.0019","12.2891","0.0013","26.698","0.002","90","","107.327","0.004","90","","6417.5","1","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","(Bu4N)[Au(pzdt)(Et-thiazdt)]","Tetrabutylammonium,(pyrazine-2,3-dithiolate)(N-Ethyl-thiazoline-2-one-4,5-dithiolate)aurate","","- C25 H43 Au N4 S6 -","- C25 H43 Au N4 S6 -","- C200 H344 Au8 N32 S48 -","8","2","","Kharraz, Haia; Alemany, Pere; Canadell, Enric; Le Gal, Yann; Roisnel, Thierry; Cui, Hengbo; Kim, Kee Hoon; Fourmigué, Marc; Lorcy, Dominique","Mixed-ligand, radical, gold bis(dithiolene) complexes: from single-component conductors to controllable NIR-II absorbers.","Chemical science","2024","15","29","11604","11616","10.1039/d4sc03238a","","x-ray","0.71073","MoKα","","0.0318","0.0238","","","0.0494","0.0519","","","","","","1.05","","","","has coordinates,has disorder","293731","2024-08-05","17:53:28",""
"1571960","22.4426","0.0012","20.9039","0.001","30.0536","0.001","90","","96.666","0.004","90","","14004","1.1","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1AFC-An","","- C133 H115 N6 O12 -","- C133 H115 N6 O12 -","- C532 H460 N24 O48 -","4","1","","Williams, Malik L.; Coleman, Adam F.; Peinkofer, Kathryn R.; Young, Ryan M.; Wasielewski, Michael R.","Structure-enabled long-lived charge separation in single crystals of an asymmetric donor-acceptor perylenediimide cyclophane.","Chemical science","2024","15","29","11472","11479","10.1039/d4sc03359k","","x-ray","1.54184","CuKα","","0.1341","0.1055","","","0.3262","0.3502","","","","","","1.302","","","","has coordinates,has disorder","293739","2024-08-05","17:56:48",""
"1571961","15.0671","0.0003","13.6045","0.0003","46.194","0.0009","90","","90.107","0.002","90","","9468.8","0.3","100","0.1","100","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C112 H124 N8 -","- C112 H124 N8 -","- C448 H496 N32 -","4","0.5","","Zhao, Lingli; Wu, Zeng; Qin, Hanwen; Bin, Guangxiong; Gao, Junxiang; Zeng, Weixuan; Zhao, Yan; Chen, Huajie","Ambipolar conjugated ladder polymers by room-temperature Knoevenagel polymerization.","Chemical science","2024","15","29","11594","11603","10.1039/d4sc03222e","","x-ray","1.54184","CuKα","","0.1523","0.1186","","","0.3478","0.3787","","","","","","1.448","","","","has coordinates,has disorder","293741","2024-08-05","17:57:31",""
"1571962","7.0682","0.0006","8.2714","0.0007","18.0737","0.0016","93.27","0.004","99.19","0.004","90.759","0.004","1041.13","0.16","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H25 N O6 S -","- C21 H25 N O6 S -","- C42 H50 N2 O12 S2 -","2","1","","Lai, Jingxiong; Cai, Wei; Huang, You","Enantioselective phosphine-catalyzed [6 + 1] annulations of α-allyl allenoates with 1,1-bisnucleophiles.","Chemical science","2024","15","29","11515","11520","10.1039/d4sc02487g","","x-ray","1.34139","GaKα","","0.0709","0.0627","","","0.1597","0.1655","","","","","","1.08","","","","has coordinates","293727","2024-08-05","17:52:13",""
"1571963","9.2242","0.0002","34.8178","0.0007","6.4291","0.0001","90","","92.597","0.002","90","","2062.69","0.07","200","2","200.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 N16 O10 -","- C12 H20 N16 O10 -","- C48 H80 N64 O40 -","4","1","","Li, Yanqiang; Zhou, Yang; Ahmed, Belal; Xu, Qianting; Huang, Weiqi; Song, Yipeng; Song, Xianyu; Chen, Bin; Luo, Junhua; Zhao, Sangen","A highly birefringent metal-free crystal assembled by cooperative non-covalent interactions.","Materials horizons","2024","11","18","4393","4399","10.1039/d4mh00422a","","","1.54184","CuKα","","0.0312","0.0241","","","0.0625","0.0669","","","","","","1.0939","","","","has coordinates","295351","2024-10-06","09:32:29",""
"1571964","7.3673","0.0003","11.2285","0.0004","12.5778","0.0005","104.974","0.004","101.964","0.004","103.46","0.004","937.1","0.07","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","6-[4-(<i>tert</i>-Butyldimethylsilyloxy)phenyl]-1-oxaspiro[2.5]heptane","","- C19 H30 O2 Si -","- C19 H30 O2 Si -","- C38 H60 O4 Si2 -","2","1","HB4478","Wetzel, Edward A.; Lindeman, Sergey; Donaldson, William A.","6-[4-(tert-Butyldimethylsilyloxy)phenyl]-1-oxaspiro[2.5]heptane","IUCrData","2024","9","6","","","10.1107/S241431462400590X","","x-ray","1.54184","CuKα","","0.0484","0.0457","","","0.1276","0.1312","","","","","","1.097","","","","has coordinates","292529","2024-06-22","01:59:38",""
"1571965","9.0199","0.0004","9.6664","0.0005","12.1317","0.0005","80.233","0.004","78.91","0.004","79.201","0.004","1009.79","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","CXQ-220602-2","","- C21 H18 Br F7 N2 -","- C21 H18 Br F7 N2 -","- C42 H36 Br2 F14 N4 -","2","1","","Chen, Jia-Wei; Ji, Wen-Jun; Huang, Xue-Ying; Ge, Danhua; Shen, Zhi-Liang; Guo, Kai; Chu, Xue-Qiang","Chemo-, regio-, and stereoselective tetrafunctionalization of fluoroalkynes enables divergent synthesis of 5-7-membered azacycles.","Chemical science","2024","15","30","12026","12035","10.1039/d4sc03230f","","x-ray","1.54184","CuKα","","0.0271","0.026","","","0.0653","0.0662","","","","","","1.045","","","","has coordinates","293766","2024-08-05","18:07:37",""
"1571966","10.8721","0.0003","42.5797","0.0009","10.9151","0.0003","90","","118.699","0.004","90","","4432.2","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H15 F7 N2 O -","- C25 H15 F7 N2 O -","- C200 H120 F56 N16 O8 -","8","2","","Chen, Jia-Wei; Ji, Wen-Jun; Huang, Xue-Ying; Ge, Danhua; Shen, Zhi-Liang; Guo, Kai; Chu, Xue-Qiang","Chemo-, regio-, and stereoselective tetrafunctionalization of fluoroalkynes enables divergent synthesis of 5-7-membered azacycles.","Chemical science","2024","15","30","12026","12035","10.1039/d4sc03230f","","x-ray","1.54184","CuKα","","0.1053","0.0938","","","0.2539","0.2686","","","","","","1.08","","","","has coordinates,has disorder","293766","2024-08-05","18:07:38",""
"1571967","18.8892","0.0005","5.716","0.0001","27.6517","0.0007","90","","107.953","0.003","90","","2840.2","0.12","169.99","0.1","169.99","0.1","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C29 H25 F7 N2 O4 S2 -","- C29 H25 F7 N2 O4 S2 -","- C116 H100 F28 N8 O16 S8 -","4","2","","Chen, Jia-Wei; Ji, Wen-Jun; Huang, Xue-Ying; Ge, Danhua; Shen, Zhi-Liang; Guo, Kai; Chu, Xue-Qiang","Chemo-, regio-, and stereoselective tetrafunctionalization of fluoroalkynes enables divergent synthesis of 5-7-membered azacycles.","Chemical science","2024","15","30","12026","12035","10.1039/d4sc03230f","","x-ray","1.54184","CuKα","","0.0679","0.0538","","","0.1347","0.1506","","","","","","1.037","","","","has coordinates","293766","2024-08-05","18:07:38",""
"1571968","10.0809","0.0006","20.01","0.0011","25.3574","0.0012","101.231","0.005","99.701","0.005","104.279","0.005","4734.3","0.5","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C107 H90 Fe6 O16 P6 -","- C107 H90 Fe6 O16 P6 -","- C214 H180 Fe12 O32 P12 -","2","1","","Cobb, Caitlyn R.; Ngo, Ren K.; Dick, Emily J.; Lynch, Vincent M.; Rose, Michael J.","Multi-phosphine-chelated iron-carbide clusters <i>via</i> redox-promoted ligand exchange on an inert hexa-iron-carbide carbonyl cluster, [Fe<sub>6</sub>(μ<sub>6</sub>-C)(μ<sub>2</sub>-CO)<sub>4</sub>(CO)<sub>12</sub>]<sup>2</sup>.","Chemical science","2024","15","29","11455","11471","10.1039/d4sc01370k","","x-ray","1.54184","CuKα","","0.1148","0.0842","","","0.2349","0.2546","","","","","","1.109","","","","has coordinates,has disorder","293740","2024-08-05","17:57:14",""
"1571969","12.9515","0.0003","13.3229","0.0003","19.7999","0.0003","107.235","0.002","91.498","0.002","117.671","0.002","2835.23","0.13","100.02","0.12","100.02","0.12","","","","","","","","6","P -1","-P 1","2","","9","","- C61.42 H48.26 Fe4 N0.42 O12.58 P3 -","- C61.422 H48.266 Fe4 N0.422 O12.578 P3 -","- C122.844 H96.532 Fe8 N0.844 O25.156 P6 -","2","1","","Cobb, Caitlyn R.; Ngo, Ren K.; Dick, Emily J.; Lynch, Vincent M.; Rose, Michael J.","Multi-phosphine-chelated iron-carbide clusters <i>via</i> redox-promoted ligand exchange on an inert hexa-iron-carbide carbonyl cluster, [Fe<sub>6</sub>(μ<sub>6</sub>-C)(μ<sub>2</sub>-CO)<sub>4</sub>(CO)<sub>12</sub>]<sup>2</sup>.","Chemical science","2024","15","29","11455","11471","10.1039/d4sc01370k","","x-ray","1.54184","CuKα","","0.0432","0.0382","","","0.0912","0.0935","","","","","","1.06","","","","has coordinates,has disorder","293740","2024-08-05","17:57:16",""
"1571970","9.5978","0.0002","11.8597","0.0002","14.5875","0.0003","90","","90.663","0.002","90","","1660.34","0.06","100","0.8","100","0.8","","","","","","","","5","P 1 n 1","P -2yac","7","","Fe5(mu5-C)(CO)14(PPh3)","","- C33 H15 Fe5 O14 P -","- C33 H15 Fe5 O14 P -","- C66 H30 Fe10 O28 P2 -","2","1","","Cobb, Caitlyn R.; Ngo, Ren K.; Dick, Emily J.; Lynch, Vincent M.; Rose, Michael J.","Multi-phosphine-chelated iron-carbide clusters <i>via</i> redox-promoted ligand exchange on an inert hexa-iron-carbide carbonyl cluster, [Fe<sub>6</sub>(μ<sub>6</sub>-C)(μ<sub>2</sub>-CO)<sub>4</sub>(CO)<sub>12</sub>]<sup>2</sup>.","Chemical science","2024","15","29","11455","11471","10.1039/d4sc01370k","","x-ray","1.54184","CuKα","","0.0427","0.041","","","0.1174","0.1226","","","","","","1.137","","","","has coordinates","293740","2024-08-05","17:57:16",""
"1571971","12.2212","0.0001","19.7064","0.0001","19.6407","0.0002","90","","98.708","0.001","90","","4675.66","0.07","100","0.4","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","10","","- C52.5 H43 Fe3 O7 P3 -","- C52.5 H43 Fe3 O7 P3 -","- C210 H172 Fe12 O28 P12 -","4","1","","Cobb, Caitlyn R.; Ngo, Ren K.; Dick, Emily J.; Lynch, Vincent M.; Rose, Michael J.","Multi-phosphine-chelated iron-carbide clusters <i>via</i> redox-promoted ligand exchange on an inert hexa-iron-carbide carbonyl cluster, [Fe<sub>6</sub>(μ<sub>6</sub>-C)(μ<sub>2</sub>-CO)<sub>4</sub>(CO)<sub>12</sub>]<sup>2</sup>.","Chemical science","2024","15","29","11455","11471","10.1039/d4sc01370k","","","1.54184","CuKα","","0.0303","0.0286","","","0.0729","0.0738","","","","","","1.075","","","","has coordinates,has disorder","293740","2024-08-05","17:57:16",""
"1571972","16.9478","0.0003","8.9623","0.0001","17.1515","0.0003","90","","115.433","0.002","90","","2352.69","0.08","100","0.13","100.15","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","Fe6C(CO)17","","- C36 Fe12 O34 -","- C36 Fe12 O34 -","- C72 Fe24 O68 -","2","0.5","","Cobb, Caitlyn R.; Ngo, Ren K.; Dick, Emily J.; Lynch, Vincent M.; Rose, Michael J.","Multi-phosphine-chelated iron-carbide clusters <i>via</i> redox-promoted ligand exchange on an inert hexa-iron-carbide carbonyl cluster, [Fe<sub>6</sub>(μ<sub>6</sub>-C)(μ<sub>2</sub>-CO)<sub>4</sub>(CO)<sub>12</sub>]<sup>2</sup>.","Chemical science","2024","15","29","11455","11471","10.1039/d4sc01370k","","","1.54184","CuKα","","0.0416","0.0345","","","0.0867","0.091","","","","","","1.059","","","","has coordinates","293740","2024-08-05","17:57:16",""
"1571973","10.2347","0.0003","24.946","0.0006","19.6152","0.0006","90","","104.582","0.003","90","","4846.7","0.2","100.02","0.12","100.02","0.12","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H39 Fe4 O10 P3 -","- C52 H39 Fe4 O10 P3 -","- C208 H156 Fe16 O40 P12 -","4","1","","Cobb, Caitlyn R.; Ngo, Ren K.; Dick, Emily J.; Lynch, Vincent M.; Rose, Michael J.","Multi-phosphine-chelated iron-carbide clusters <i>via</i> redox-promoted ligand exchange on an inert hexa-iron-carbide carbonyl cluster, [Fe<sub>6</sub>(μ<sub>6</sub>-C)(μ<sub>2</sub>-CO)<sub>4</sub>(CO)<sub>12</sub>]<sup>2</sup>.","Chemical science","2024","15","29","11455","11471","10.1039/d4sc01370k","","x-ray","1.54184","CuKα","","0.1209","0.0804","","","0.2005","0.2307","","","","","","1.044","","","","has coordinates","293740","2024-08-05","17:57:16",""
"1571974","12.61041","0.00012","15.93666","0.00013","21.466","0.0002","90","","94.554","0.0008","90","","4300.36","0.07","100.15","","100.02","0.13","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H33 Fe3.5 N O10.5 P2 -","- C45 H33 Fe3.5 N O10.5 P2 -","- C180 H132 Fe14 N4 O42 P8 -","4","1","","Cobb, Caitlyn R.; Ngo, Ren K.; Dick, Emily J.; Lynch, Vincent M.; Rose, Michael J.","Multi-phosphine-chelated iron-carbide clusters <i>via</i> redox-promoted ligand exchange on an inert hexa-iron-carbide carbonyl cluster, [Fe<sub>6</sub>(μ<sub>6</sub>-C)(μ<sub>2</sub>-CO)<sub>4</sub>(CO)<sub>12</sub>]<sup>2</sup>.","Chemical science","2024","15","29","11455","11471","10.1039/d4sc01370k","","x-ray","1.54184","CuKα","","0.0413","0.0376","","","0.08","0.0815","","","","","","1.099","","","","has coordinates,has disorder","293740","2024-08-05","17:57:16",""
"1571975","9.4782","0.0008","15.6679","0.0007","18.694","0.001","85.773","0.005","76.692","0.007","89.678","0.005","2694","0.3","100","0.6","100","0.6","","","","","","","","5","P -1","-P 1","2","","","","- C56 H39 Fe5 O14 P3 -","- C56 H39 Fe5 O14 P3 -","- C112 H78 Fe10 O28 P6 -","2","1","","Cobb, Caitlyn R.; Ngo, Ren K.; Dick, Emily J.; Lynch, Vincent M.; Rose, Michael J.","Multi-phosphine-chelated iron-carbide clusters <i>via</i> redox-promoted ligand exchange on an inert hexa-iron-carbide carbonyl cluster, [Fe<sub>6</sub>(μ<sub>6</sub>-C)(μ<sub>2</sub>-CO)<sub>4</sub>(CO)<sub>12</sub>]<sup>2</sup>.","Chemical science","2024","15","29","11455","11471","10.1039/d4sc01370k","","x-ray","1.54184","CuKα","","0.0943","0.0693","","","0.1823","0.198","","","","","","1.066","","","","has coordinates","293740","2024-08-05","17:57:16",""
"1571976","17.1733","0.0003","12.1213","0.0002","20.6329","0.0003","90","","103.279","0.0016","90","","4180.16","0.12","100","0.5","100","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[NEt4][Fe5(mu5-C)(CO)13(PPh3)]","","- C40 H36 Fe5 N O13 P -","- C40 H36 Fe5 N O13 P -","- C160 H144 Fe20 N4 O52 P4 -","4","1","","Cobb, Caitlyn R.; Ngo, Ren K.; Dick, Emily J.; Lynch, Vincent M.; Rose, Michael J.","Multi-phosphine-chelated iron-carbide clusters <i>via</i> redox-promoted ligand exchange on an inert hexa-iron-carbide carbonyl cluster, [Fe<sub>6</sub>(μ<sub>6</sub>-C)(μ<sub>2</sub>-CO)<sub>4</sub>(CO)<sub>12</sub>]<sup>2</sup>.","Chemical science","2024","15","29","11455","11471","10.1039/d4sc01370k","","x-ray","1.54184","CuKα","","0.0484","0.0459","","","0.1375","0.1401","","","","","","1.137","","","","has coordinates","293740","2024-08-05","17:57:16",""
"1571977","12.7533","0.0003","12.7583","0.0003","13.1803","0.0003","69.875","0.002","64.408","0.002","68.367","0.002","1753.7","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H54 I4 Mo8 N2 O28 -","- C54 H54 I4 Mo8 N2 O28 -","- C54 H54 I4 Mo8 N2 O28 -","1","0.5","","Soldatova, Natalia S.; Radzhabov, Amirbek D.; Ivanov, Daniil M.; Burguera, Sergi; Frontera, Antonio; Abramov, Pavel A.; Postnikov, Pavel S.; Kukushkin, Vadim Yu","Key-to-lock halogen bond-based tetragonal pyramidal association of iodonium cations with the lacune rims of beta-octamolybdate.","Chemical science","2024","15","31","12459","12472","10.1039/d4sc01695e","","x-ray","0.71073","MoKα","","0.0417","0.0304","","","0.074","0.078","","","","","","1.04","","","","has coordinates,has disorder","294481","2024-09-05","23:54:46",""
"1571978","15.9198","0.0003","19.5787","0.0004","14.946","0.0003","90","","98.52","0.002","90","","4607.09","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H118 I2 Mo8 N2 O27 -","- C68 H118 I2 Mo8 N2 O27 -","- C136 H236 I4 Mo16 N4 O54 -","2","0.5","","Soldatova, Natalia S.; Radzhabov, Amirbek D.; Ivanov, Daniil M.; Burguera, Sergi; Frontera, Antonio; Abramov, Pavel A.; Postnikov, Pavel S.; Kukushkin, Vadim Yu","Key-to-lock halogen bond-based tetragonal pyramidal association of iodonium cations with the lacune rims of beta-octamolybdate.","Chemical science","2024","15","31","12459","12472","10.1039/d4sc01695e","","x-ray","0.71073","MoKα","","0.0343","0.0273","","","0.0741","0.0767","","","","","","1.058","","","","has coordinates","294481","2024-09-05","23:54:47",""
"1571979","13.9442","0.0004","14.7482","0.0004","14.7605","0.0004","61.08","0.001","81.734","0.001","65.704","0.001","2415.85","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C79.8 H106.2 I4 Mo8 N2.6 O28.6 -","- C79.8 H102 I4 Mo8 N2.6 O28.6 -","- C79.8 H102 I4 Mo8 N2.6 O28.6 -","1","0.5","","Soldatova, Natalia S.; Radzhabov, Amirbek D.; Ivanov, Daniil M.; Burguera, Sergi; Frontera, Antonio; Abramov, Pavel A.; Postnikov, Pavel S.; Kukushkin, Vadim Yu","Key-to-lock halogen bond-based tetragonal pyramidal association of iodonium cations with the lacune rims of beta-octamolybdate.","Chemical science","2024","15","31","12459","12472","10.1039/d4sc01695e","","","0.71073","MoKα","","0.0296","0.0259","","","0.0636","0.0654","","","","","","1.042","","","","has coordinates,has disorder","294481","2024-09-05","23:54:47",""
"1571980","13.0495","0.0003","14.4726","0.0003","20.8666","0.0005","100.464","0.001","98.6","0.001","115.289","0.001","3387.69","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H52 I4 Mo8 O28 S2 -","- C52 H52 I4 Mo8 O28 S2 -","- C104 H104 I8 Mo16 O56 S4 -","2","1","","Soldatova, Natalia S.; Radzhabov, Amirbek D.; Ivanov, Daniil M.; Burguera, Sergi; Frontera, Antonio; Abramov, Pavel A.; Postnikov, Pavel S.; Kukushkin, Vadim Yu","Key-to-lock halogen bond-based tetragonal pyramidal association of iodonium cations with the lacune rims of beta-octamolybdate.","Chemical science","2024","15","31","12459","12472","10.1039/d4sc01695e","","","0.71073","MoKα","","0.0401","0.0306","","","0.0694","0.072","","","","","","1.065","","","","has coordinates,has disorder","294481","2024-09-05","23:54:47",""
"1571981","15.7278","0.0003","16.3027","0.0003","18.7455","0.0003","90","","110.566","0.001","90","","4500.13","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H108 I2 Mo8 N2 O26 -","- C64 H108 I2 Mo8 N2 O26 -","- C128 H216 I4 Mo16 N4 O52 -","2","0.5","","Soldatova, Natalia S.; Radzhabov, Amirbek D.; Ivanov, Daniil M.; Burguera, Sergi; Frontera, Antonio; Abramov, Pavel A.; Postnikov, Pavel S.; Kukushkin, Vadim Yu","Key-to-lock halogen bond-based tetragonal pyramidal association of iodonium cations with the lacune rims of beta-octamolybdate.","Chemical science","2024","15","31","12459","12472","10.1039/d4sc01695e","","","0.71073","MoKα","","0.0311","0.0225","","","0.0464","0.0479","","","","","","1.05","","","","has coordinates","294481","2024-09-05","23:54:47",""
"1571982","15.3967","0.0002","23.3887","0.0002","27.0694","0.0003","90.746","0.001","91.737","0.001","91.33","0.001","9739.91","0.19","100.03","0.1","100.03","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C92 H72 Au4 F12 N2 O10 P4 S4 -","- C92 H72 Au4 F12 N2 O10 P4 S4 -","- C368 H288 Au16 F48 N8 O40 P16 S16 -","4","2","","Liu, Qian; Zhai, Xiao-Yi; Jian, Rui-Jun; Zhao, Liang","Divergent catalytic behaviors of assembled organogold(i) clusters derived from enyne cyclization.","Chemical science","2024","15","29","11311","11320","10.1039/d4sc01618a","","x-ray","1.54184","CuKα","","0.0994","0.0929","","","0.2487","0.2556","","","","","","1.067","","","","has coordinates","293736","2024-08-05","17:55:51",""
"1571983","29.4994","0.0003","19.4956","0.0002","33.2461","0.0003","90","","100.747","0.001","90","","18784.8","0.3","173","0.1","173","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C194 H170 Au11 F18 N3 O16 P6 S6 -","- C178 H130 Au11 F18 N3 O12 P6 S6 -","- C712 H520 Au44 F72 N12 O48 P24 S24 -","4","0.5","","Liu, Qian; Zhai, Xiao-Yi; Jian, Rui-Jun; Zhao, Liang","Divergent catalytic behaviors of assembled organogold(i) clusters derived from enyne cyclization.","Chemical science","2024","15","29","11311","11320","10.1039/d4sc01618a","","","1.54184","CuKα","","0.0365","0.0342","","","0.0866","0.0885","","","","","","1.028","","","","has coordinates","293736","2024-08-05","17:55:51",""
"1571984","47.3293","0.0007","20.0353","0.0005","41.2327","0.0006","90","","114.081","0.002","90","","35696.4","1.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C276 H216 Au28 P8 -","- C276 H216 Au28 P8 -","- C1104 H864 Au112 P32 -","4","0.5","","Liu, Qian; Zhai, Xiao-Yi; Jian, Rui-Jun; Zhao, Liang","Divergent catalytic behaviors of assembled organogold(i) clusters derived from enyne cyclization.","Chemical science","2024","15","29","11311","11320","10.1039/d4sc01618a","","x-ray","1.54184","CuKα","","0.0753","0.0591","","","0.1678","0.1809","","","","","","1.06","","","","has coordinates","293736","2024-08-05","17:55:51",""
"1571985","16.052","0.0004","18.4672","0.0005","33.1755","0.0008","84.197","0.002","78.827","0.002","76.291","0.002","9357.4","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C190 H135 Au14 F12 N2 O8 P5 S4 -","- C190 H135 Au14 F12 N2 O8 P5 S4 -","- C380 H270 Au28 F24 N4 O16 P10 S8 -","2","1","","Liu, Qian; Zhai, Xiao-Yi; Jian, Rui-Jun; Zhao, Liang","Divergent catalytic behaviors of assembled organogold(i) clusters derived from enyne cyclization.","Chemical science","2024","15","29","11311","11320","10.1039/d4sc01618a","","","1.54184","CuKα","","0.0829","0.0657","","","0.1737","0.1842","","","","","","1.037","","","","has coordinates,has disorder","293736","2024-08-05","17:55:51",""
"1571986","20.0772","0.0002","15.05708","0.00015","30.2204","0.0003","90","","93.6657","0.0009","90","","9117.06","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H133 Mg4 N10 O1.5 -","- C92 H133 Mg4 N10 O1.5 -","- C368 H532 Mg16 N40 O6 -","4","1","","Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.","Cross-coupling of CO and an isocyanide mediated by a tetrameric magnesium hydride cluster.","Chemical science","2024","15","30","11807","11813","10.1039/d4sc02638a","","","1.54184","CuKα","","0.0614","0.0454","","","0.1173","0.1316","","","","","","1.031","","","","has coordinates,has disorder","293771","2024-08-05","18:10:45",""
"1571987","17.9825","0.0006","12.3081","0.0004","14.6715","0.0004","90","","95.56","0.003","90","","3231.97","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35.5 H46 Al N3 O -","- C33 H40 Al N3 O -","- C132 H160 Al4 N12 O4 -","4","1","","Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.","Cross-coupling of CO and an isocyanide mediated by a tetrameric magnesium hydride cluster.","Chemical science","2024","15","30","11807","11813","10.1039/d4sc02638a","","","1.54184","CuKα","","0.0796","0.0526","","","0.1266","0.1418","","","","","","0.971","","","","has coordinates","293771","2024-08-05","18:10:45",""
"1571988","15.6944","0.00018","30.4384","0.0003","17.51319","0.00016","90","","90","","90","","8366.27","0.15","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C82 H118 Mg4 N12 -","- C82 H118 Mg4 N12 -","- C328 H472 Mg16 N48 -","4","0.5","","Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.","Cross-coupling of CO and an isocyanide mediated by a tetrameric magnesium hydride cluster.","Chemical science","2024","15","30","11807","11813","10.1039/d4sc02638a","","","1.54184","CuKα","","0.0464","0.0371","","","0.0982","0.1056","","","","","","1.043","","","","has coordinates,has disorder","293771","2024-08-05","18:10:45",""
"1571989","9.2215","0.0003","11.1028","0.0004","27.4961","0.0007","80.246","0.003","84.648","0.003","67.366","0.003","2559.57","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H75 Mg2 N5 O3 -","- C52 H75 Mg2 N5 O3 -","- C104 H150 Mg4 N10 O6 -","2","1","","Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.","Cross-coupling of CO and an isocyanide mediated by a tetrameric magnesium hydride cluster.","Chemical science","2024","15","30","11807","11813","10.1039/d4sc02638a","","","1.54184","CuKα","","0.0757","0.0513","","","0.1348","0.1512","","","","","","1.035","","","","has coordinates,has disorder","293771","2024-08-05","18:10:45",""
"1571990","12.2454","0.0003","14.1302","0.0004","20.6959","0.0005","78.593","0.002","85.703","0.002","73.328","0.003","3362.08","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C71 H103 Mg2 N5 O -","- C71 H103 Mg2 N5 O -","- C142 H206 Mg4 N10 O2 -","2","1","","Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.","Cross-coupling of CO and an isocyanide mediated by a tetrameric magnesium hydride cluster.","Chemical science","2024","15","30","11807","11813","10.1039/d4sc02638a","","","1.54184","CuKα","","0.0791","0.0523","","","0.1345","0.1544","","","","","","1.021","","","","has coordinates","293771","2024-08-05","18:10:45",""
"1571991","23.1551","0.0002","13.13534","0.00012","33.9649","0.0004","90","","93.0767","0.0009","90","","10315.5","0.18","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C104 H158 Mg4 N10 O6 -","- C104 H158 Mg4 N10 O6 -","- C416 H632 Mg16 N40 O24 -","4","0.5","","Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.","Cross-coupling of CO and an isocyanide mediated by a tetrameric magnesium hydride cluster.","Chemical science","2024","15","30","11807","11813","10.1039/d4sc02638a","","","1.54184","CuKα","","0.0738","0.0597","","","0.1694","0.1843","","","","","","1.029","","","","has coordinates,has disorder","293771","2024-08-05","18:10:45",""
"1571992","21.911","0.003","23.503","0.003","30.979","0.004","104.882","0.004","94.518","0.004","92.303","0.004","15340","4","150","","150","","","","","","","","","8","P -1","-P 1","2","","Ag38-Zn","","- C216 H367 Ag38 N46 O75 Si W9 Zn4 -","- C136 H207 Ag38 N6 O55 Si W9 Zn4 -","- C272 H414 Ag76 N12 O110 Si2 W18 Zn8 -","2","1","","Ge, Rui; Cai, Ping-Wei; Sun, Cai; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","Development of non-closed silver clusters by transition-metal-coordination-cluster substituted polyoxometalate templates.","Chemical science","2024","15","31","12543","12549","10.1039/d4sc01502a","","","0.71073","MoKα","","0.1041","0.0797","","","0.2019","0.2262","","","","","","1.017","","","","has coordinates","294478","2024-09-05","23:53:48",""
"1571993","20.3864","0.0015","21.2135","0.0017","31.864","0.002","96.159","0.002","92.5","0.002","105.258","0.002","13180.5","1.7","150","2","150","","","","","","","","","8","P -1","-P 1","2","","","","- C124 H189 Ag36 Co5 N6 O81 Si2 W20 -","- C112 H169 Ag36 Co5 O80 Si2 W20 -","- C224 H338 Ag72 Co10 O160 Si4 W40 -","2","1","","Ge, Rui; Cai, Ping-Wei; Sun, Cai; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","Development of non-closed silver clusters by transition-metal-coordination-cluster substituted polyoxometalate templates.","Chemical science","2024","15","31","12543","12549","10.1039/d4sc01502a","","","0.71073","MoKα","","0.0823","0.0671","","","0.1692","0.1809","","","","","","1.063","","","","has coordinates,has disorder","294478","2024-09-05","23:53:49",""
"1571994","21.95","0.02","23.43","0.02","30.98","0.03","105.088","0.014","94.144","0.013","92.363","0.014","15313","2","150","2","150","","","","","","","","","8","P -1","-P 1","2","","","","- C176 H426 Ag38 Co4 N26 O135 Si W9 -","- C136 H206 Ag38 Co4 N6 O55 Si W9 -","- C272 H412 Ag76 Co8 N12 O110 Si2 W18 -","2","1","","Ge, Rui; Cai, Ping-Wei; Sun, Cai; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","Development of non-closed silver clusters by transition-metal-coordination-cluster substituted polyoxometalate templates.","Chemical science","2024","15","31","12543","12549","10.1039/d4sc01502a","","","0.71073","MoKα","","0.1316","0.0997","","","0.2225","0.2444","","","","","","1.018","","","","has coordinates","294478","2024-09-05","23:53:49",""
"1571995","20.495","0.003","23.774","0.003","31.972","0.004","91.397","0.004","95.125","0.004","110.459","0.004","14511","3","150","2","150","","","","","","","","","8","P -1","-P 1","2","","","","- C146 H398 Ag36 N20 Ni5 O168 Si2 W20 -","- C106 H159 Ag36 Ni5 O80 Si2 W20 -","- C212 H318 Ag72 Ni10 O160 Si4 W40 -","2","1","","Ge, Rui; Cai, Ping-Wei; Sun, Cai; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","Development of non-closed silver clusters by transition-metal-coordination-cluster substituted polyoxometalate templates.","Chemical science","2024","15","31","12543","12549","10.1039/d4sc01502a","","","0.71073","MoKα","","0.1135","0.0984","","","0.2608","0.2765","","","","","","1.015","","","","has coordinates,has disorder","294478","2024-09-05","23:53:49",""
"1571996","21.433","0.002","25.176","0.002","27.986","0.002","76.713","0.003","81.315","0.002","83.548","0.003","14481","2","150","2","150","","","","","","","","","8","P -1","-P 1","2","","","","- C204 H309 Ag37 N35 O83 Si2 W20 Zn5 -","- C144 H219 Ag37 N5 O83 Si2 W20 Zn5 -","- C288 H438 Ag74 N10 O166 Si4 W40 Zn10 -","2","1","","Ge, Rui; Cai, Ping-Wei; Sun, Cai; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","Development of non-closed silver clusters by transition-metal-coordination-cluster substituted polyoxometalate templates.","Chemical science","2024","15","31","12543","12549","10.1039/d4sc01502a","","","0.71073","MoKα","","0.1118","0.0862","","","0.1773","0.1937","","","","","","1.04","","","","has coordinates,has disorder","294478","2024-09-05","23:53:49",""
"1571997","24.0994","0.0019","38.699","0.003","39.795","0.003","90","","124.23","0.004","90","","30685","4","150","2","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C248 H382 Ag74.65 N10 O174 Si4 W40 Zn10 -","- C236 H360 Ag74.65 N4 O172 Si4 W40 Zn10 -","- C472 H720 Ag149.3 N8 O344 Si8 W80 Zn20 -","2","0.5","","Ge, Rui; Cai, Ping-Wei; Sun, Cai; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","Development of non-closed silver clusters by transition-metal-coordination-cluster substituted polyoxometalate templates.","Chemical science","2024","15","31","12543","12549","10.1039/d4sc01502a","","","0.71073","MoKα","","0.1289","0.1154","","","0.3549","0.3691","","","","","","1.551","","","","has coordinates","294478","2024-09-05","23:53:49",""
"1571998","21.941","0.003","23.391","0.004","30.897","0.005","105.433","0.004","94.447","0.004","91.978","0.004","15214","4","150","2","150","","","","","","","","","8","P -1","-P 1","2","","","","- C256 H407 Ag38 N66 Ni4 O65 Si W9 -","- C136 H207 Ag38 N6 Ni4 O55 Si W9 -","- C272 H414 Ag76 N12 Ni8 O110 Si2 W18 -","2","1","","Ge, Rui; Cai, Ping-Wei; Sun, Cai; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","Development of non-closed silver clusters by transition-metal-coordination-cluster substituted polyoxometalate templates.","Chemical science","2024","15","31","12543","12549","10.1039/d4sc01502a","","","0.71073","MoKα","","0.1237","0.0936","","","0.2318","0.2526","","","","","","1.04","","","","has coordinates,has disorder","294478","2024-09-05","23:53:49",""
"1571999","17.1992","0.0013","29.767","0.003","21.8387","0.0018","90","","90","","90","","11180.7","1.7","150.15","0.1","150.15","0.1","","","","","","","","5","C 2 2 21","C 2c 2","20","","NPU-1-TPT","","- C66 H45 Mn6 N12 O20 -","- C66 H45 Mn6 N12 O20 -","- C264 H180 Mn24 N48 O80 -","4","0.5","","Cao, Jian-Wei; Zhang, Tao; Chen, Juan; Wang, Jin-Bo; Wang, Yu; Chen, Kai-Jie","Ordered assembly of two different metal clusters with the same topological connectivity in one single coordination network.","Chemical science","2024","15","30","11928","11936","10.1039/d4sc02550d","","x-ray","1.34139","GaKα","","0.0813","0.0807","","","0.2077","0.2085","","","","","","1.052","","","","has coordinates,has disorder","293777","2024-08-05","18:12:33",""
"1572000","17.1984","0.0007","17.1984","0.0007","18.6767","0.001","90","","90","","120","","4784.2","0.4","198.15","0.1","198.15","0.1","","","","","","","","5","P -6 m 2","P -6 2","187","","NPU-6","","- C108 H69 Mn9 N18 O33 -","- C108 H69 Mn9 N18 O33 -","- C108 H69 Mn9 N18 O33 -","1","0.0833333","","Cao, Jian-Wei; Zhang, Tao; Chen, Juan; Wang, Jin-Bo; Wang, Yu; Chen, Kai-Jie","Ordered assembly of two different metal clusters with the same topological connectivity in one single coordination network.","Chemical science","2024","15","30","11928","11936","10.1039/d4sc02550d","","","0.71073","MoKα","","0.0349","0.0294","","","0.0709","0.0735","","","","","","0.98","","","","has coordinates,has disorder","293777","2024-08-05","18:12:33",""
"1572001","21.8333","0.0004","21.8629","0.0003","30.2029","0.0006","87.8618","0.0014","77.0258","0.0015","82.1629","0.0014","13917.4","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C156 H266 N60 O80 Pd8 -","- C156 H202 N44 Pd8 -","- C312 H404 N88 Pd16 -","2","1","","Prajapati, Dharmraj; Clegg, Jack K.; Mukherjee, Partha Sarathi","Formation of a low-symmetry Pd<sub>8</sub> molecular barrel employing a hetero donor tetradentate ligand, and its use in the binding and extraction of C<sub>70</sub>.","Chemical science","2024","15","31","12502","12510","10.1039/d4sc01332h","","x-ray","0.71073","MoKα","","0.1302","0.0979","","","0.2843","0.3153","","","","","","1.037","","","","has coordinates","294483","2024-09-05","23:55:25",""
"1572002","13.3731","0.0008","14.0167","0.0007","17.049","0.0007","90","","103.604","0.005","90","","3106.1","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Pentyl complex","","- C60 H76 B2 F8 N12 O4 Pt -","- C60 H76 B2 F8 N12 O4 Pt -","- C120 H152 B4 F16 N24 O8 Pt2 -","2","0.5","","Wang, Patrick; Fares, Mohamed; Eladwy, Radwa A.; Bhuyan, Deep J.; Wu, Xin; Lewis, William; Loeb, Stephen J.; Macreadie, Lauren K.; Gale, Philip A.","Platinum-based metal complexes as chloride transporters that trigger apoptosis.","Chemical science","2024","15","29","11584","11593","10.1039/d4sc02115k","","","0.71073","MoKα","","0.0558","0.0292","","","0.0504","0.0567","","","","","","1.004","","","","has coordinates","293730","2024-08-05","17:53:06",""
"1572003","11.013","0.002","13.708","0.003","14.075","0.003","114.46","0.03","99.2","0.03","104.7","0.03","1784.1","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H100 B2 F8 N12 O4 Pt -","- C72 H100 B2 F8 N12 O4 Pt -","- C72 H100 B2 F8 N12 O4 Pt -","1","0.5","","Wang, Patrick; Fares, Mohamed; Eladwy, Radwa A.; Bhuyan, Deep J.; Wu, Xin; Lewis, William; Loeb, Stephen J.; Macreadie, Lauren K.; Gale, Philip A.","Platinum-based metal complexes as chloride transporters that trigger apoptosis.","Chemical science","2024","15","29","11584","11593","10.1039/d4sc02115k","","","0.71073","synchrotron","","0.0283","0.0283","","","0.0727","0.0728","","","","","","1.1","","","","has coordinates","293730","2024-08-05","17:53:07",""
"1572004","11.4301","0.0013","19.803","0.0014","11.257","0.0009","90","","103.529","0.01","90","","2477.3","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Ethyl platinum complex","","- C48 H52 B2 F8 N12 O4 Pt -","- C48 H52 B2 F8 N12 O4 Pt -","- C96 H104 B4 F16 N24 O8 Pt2 -","2","0.5","","Wang, Patrick; Fares, Mohamed; Eladwy, Radwa A.; Bhuyan, Deep J.; Wu, Xin; Lewis, William; Loeb, Stephen J.; Macreadie, Lauren K.; Gale, Philip A.","Platinum-based metal complexes as chloride transporters that trigger apoptosis.","Chemical science","2024","15","29","11584","11593","10.1039/d4sc02115k","","x-ray","0.71073","MoKα","","0.097","0.054","","","0.1139","0.1342","","","","","","1.003","","","","has coordinates","293730","2024-08-05","17:53:07",""
"1572005","13.203","0.003","14.387","0.003","17.238","0.004","90","","93.431","0.006","90","","3268.5","1.3","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Hexyl complex","","- C64 H84 B2 F8 N12 O4 Pt -","- C64 H84 B2 F8 N12 O4 Pt -","- C128 H168 B4 F16 N24 O8 Pt2 -","2","0.5","","Wang, Patrick; Fares, Mohamed; Eladwy, Radwa A.; Bhuyan, Deep J.; Wu, Xin; Lewis, William; Loeb, Stephen J.; Macreadie, Lauren K.; Gale, Philip A.","Platinum-based metal complexes as chloride transporters that trigger apoptosis.","Chemical science","2024","15","29","11584","11593","10.1039/d4sc02115k","","","0.71073","MoKα","","0.0318","0.0242","","","0.056","0.0594","","","","","","1.074","","","","has coordinates","293730","2024-08-05","17:53:07",""
"1572006","12.1096","0.0012","19.8229","0.0013","11.4298","0.0012","90","","106.062","0.011","90","","2636.6","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H60 B2 F8 N12 O4 Pt -","- C52 H60 B2 F8 N12 O4 Pt -","- C104 H120 B4 F16 N24 O8 Pt2 -","2","0.5","","Wang, Patrick; Fares, Mohamed; Eladwy, Radwa A.; Bhuyan, Deep J.; Wu, Xin; Lewis, William; Loeb, Stephen J.; Macreadie, Lauren K.; Gale, Philip A.","Platinum-based metal complexes as chloride transporters that trigger apoptosis.","Chemical science","2024","15","29","11584","11593","10.1039/d4sc02115k","","x-ray","0.71073","MoKα","","0.1254","0.066","","","0.1315","0.1601","","","","","","0.989","","","","has coordinates","293730","2024-08-05","17:53:07",""
"1572007","5.4401","0.0002","9.123","0.0003","17.9486","0.0006","101.504","0.003","95.881","0.002","94.474","0.002","863.86","0.05","193","","193","","","","","","","","","2","P -1","-P 1","2","","","","- C46 H50 -","- C46 H50 -","- C46 H50 -","1","0.5","","Guo, Jianwen; Du, Fangxin; Yu, Bo; Du, Pengcheng; Li, Haoyuan; Zhang, Jianhua; Xin, Hanshen","Heptacyclic aromatic hydrocarbon isomers with two azulene units fused.","Chemical science","2024","15","31","12589","12597","10.1039/d4sc02566k","","","1.54178","CuKα","","0.0631","0.0479","","","0.1288","0.1381","","","","","","1.051","","","","has coordinates","294479","2024-09-05","23:54:08",""
"1572008","18.908","0.004","5.7056","0.0012","19.221","0.004","90","","115.935","0.003","90","","1864.8","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","A","","- C27 H17 N O -","- C27 H17 N O -","- C108 H68 N4 O4 -","4","1","","Lee, Yunjeong; Jhun, Byung Hak; Woo, Sihyun; Kim, Seoyeon; Bae, Jaehan; You, Youngmin; Cho, Eun Jin","Charge-recombinative triplet sensitization of alkenes for DeMayo-type [2 + 2] cycloaddition.","Chemical science","2024","15","30","12058","12066","10.1039/d4sc02601b","","","0.71073","MoKα","","0.2695","0.2381","","","0.2681","0.2947","","","","","","1.699","","","","has coordinates","293764","2024-08-05","18:07:05",""
"1572009","10.4813","0.0016","10.5048","0.0016","13.991","0.002","97.915","0.006","92.615","0.006","118.101","0.006","1335.1","0.4","298","","298","","","","","","","","","4","P 1","P 1","1","","","","- C24 H33 N3 O7 -","- C24 H33 N3 O7 -","- C48 H66 N6 O14 -","2","2","","Wang, Xia; Wang, Shao-Jie; Xin, Xiaolan; An, Hao; Tu, Zhifeng; Yang, Hui; Wong, Ming Wah; Lu, Shenci","Enantioconvergent and diastereoselective synthesis of atropisomeric hydrazides bearing a cyclic quaternary stereocenter through ternary catalysis.","Chemical science","2024","15","33","13240","13249","10.1039/d4sc03190c","","","1.34139","GaKα","","0.0777","0.0527","","","0.145","0.1627","","","","","","1.002","","","","has coordinates","294475","2024-09-05","23:49:20",""
"1572010","15.78147","0.00011","14.09396","0.00013","16.78114","0.00012","90","","98.9652","0.0007","90","","3686.92","0.05","301","2","301","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 N4 O11 -","- C36 H42 N4 O11 -","- C144 H168 N16 O44 -","4","1","","Wang, Xia; Wang, Shao-Jie; Xin, Xiaolan; An, Hao; Tu, Zhifeng; Yang, Hui; Wong, Ming Wah; Lu, Shenci","Enantioconvergent and diastereoselective synthesis of atropisomeric hydrazides bearing a cyclic quaternary stereocenter through ternary catalysis.","Chemical science","2024","15","33","13240","13249","10.1039/d4sc03190c","","","1.54184","CuKα","","0.0522","0.0489","","","0.135","0.1379","","","","","","1.059","","","","has coordinates","294475","2024-09-05","23:49:21",""
"1572011","22.6325","0.0011","22.6325","0.0011","30.888","0.002","90","","90","","120","","13702","1.3","223","2","223","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","","- C150 H162 Cl48 N18 O57 Pd3 S15 -","- C150 H162 Cl48 N18 O57 Pd3 S15 -","- C300 H324 Cl96 N36 O114 Pd6 S30 -","2","0.333333","","Sharma, Shruti; Krishnaswamy, Shobhana; Prusty, Soumyakanta; Chand, Dillip Kumar","A pair of conjoined trinuclear sub-frameworks in a pentanuclear double-cavity discrete coordination cage.","Chemical science","2024","15","29","11287","11301","10.1039/d4sc01078g","","","0.71073","MoKα","","0.1189","0.0847","","","0.2277","0.2781","","","","","","1.04","","","","has coordinates,has disorder","293729","2024-08-05","17:52:52",""
"1572012","40.82","0.06","40.82","0.06","24.82","0.04","90","","90","","90","","41357","11","100","2","100","2","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C224 H168 N29 O83 Pd5 S6 -","- C224 H168 N29 O83 Pd5 S6 -","- C896 H672 N116 O332 Pd20 S24 -","4","0.5","","Sharma, Shruti; Krishnaswamy, Shobhana; Prusty, Soumyakanta; Chand, Dillip Kumar","A pair of conjoined trinuclear sub-frameworks in a pentanuclear double-cavity discrete coordination cage.","Chemical science","2024","15","29","11287","11301","10.1039/d4sc01078g","","","0.71073","MoKα","","0.1436","0.1068","","","0.2758","0.3308","","","","","","1.334","","","","has coordinates","293729","2024-08-05","17:52:53",""
"1572013","18.26","0.02","21.68","0.02","30.26","0.04","106.49","0.06","91.26","0.07","105.9","0.04","10982","2","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C148 H128 N24 O62 Pd4 S6 -","- C148 H128 N24 O62 Pd4 S6 -","- C296 H256 N48 O124 Pd8 S12 -","2","1","","Sharma, Shruti; Krishnaswamy, Shobhana; Prusty, Soumyakanta; Chand, Dillip Kumar","A pair of conjoined trinuclear sub-frameworks in a pentanuclear double-cavity discrete coordination cage.","Chemical science","2024","15","29","11287","11301","10.1039/d4sc01078g","","","0.71073","MoKα","","0.177","0.1007","","","0.2463","0.2999","","","","","","1.036","","","","has coordinates","293729","2024-08-05","17:52:53",""
"1572014","6.0332","0.0001","11.399","0.0003","17.7451","0.0003","84.659","0.002","88.405","0.002","83.737","0.002","1207.63","0.04","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H35 N O3 Si -","- C26 H35 N O3 Si -","- C52 H70 N2 O6 Si2 -","2","1","","Bao, Ming; Bohórquez, Arnold R Romero; Arman, Hadi; Doyle, Michael P.","Photoinduced [4 + 2]-cycloaddition reactions of vinyldiazo compounds for the construction of heterocyclic and bicyclic rings.","Chemical science","2024","15","30","12042","12046","10.1039/d4sc03558e","","x-ray","1.54184","CuKα","","0.0371","0.0341","","","0.09","0.0924","","","","","","0.992","","","","has coordinates","293767","2024-08-05","18:07:54",""
"1572015","14.0714","0.0002","14.8588","0.0002","16.3784","0.0002","90.572","0.001","92.785","0.001","107.376","0.001","3263.25","0.08","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C35 H41 N3 O4 Si -","- C35 H41 N3 O4 Si -","- C140 H164 N12 O16 Si4 -","4","2","","Bao, Ming; Bohórquez, Arnold R Romero; Arman, Hadi; Doyle, Michael P.","Photoinduced [4 + 2]-cycloaddition reactions of vinyldiazo compounds for the construction of heterocyclic and bicyclic rings.","Chemical science","2024","15","30","12042","12046","10.1039/d4sc03558e","","x-ray","1.54184","CuKα","","0.0737","0.0669","","","0.1395","0.1432","","","","","","1.002","","","","has coordinates","293767","2024-08-05","18:07:55",""
"1572016","16.0957","0.0002","11.6873","0.0001","20.2429","0.0002","90","","90","","90","","3808","0.07","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H20 F10 P Sb -","- C13 H20 F10 P Sb -","- C104 H160 F80 P8 Sb8 -","8","1","","Krieft, Jonas; Trapp, Pia C.; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mitzel, Norbert W.","A geminal antimony(iii)/phosphorus(iii) frustrated Lewis pair.","Chemical science","2024","15","30","12118","12125","10.1039/d4sc02785j","","x-ray","0.71073","MoKα","","0.0337","0.0272","","","0.0589","0.0616","","","","","","1.031","","","","has coordinates,has disorder","293769","2024-08-05","18:09:47",""
"1572017","8.6271","0.0006","11.2928","0.0009","12.0061","0.001","74.243","0.007","74.812","0.007","70.602","0.007","1042.64","0.15","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C14 H20 F10 P S2 Sb -","- C14 H20 F10 P S2 Sb -","- C28 H40 F20 P2 S4 Sb2 -","2","1","","Krieft, Jonas; Trapp, Pia C.; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mitzel, Norbert W.","A geminal antimony(iii)/phosphorus(iii) frustrated Lewis pair.","Chemical science","2024","15","30","12118","12125","10.1039/d4sc02785j","","x-ray","0.71073","MoKα","","0.0315","0.0292","","","0.0696","0.0723","","","","","","1.069","","","","has coordinates","293769","2024-08-05","18:09:48",""
"1572018","17.0497","0.0005","11.9276","0.0003","20.3495","0.0006","90","","90","","90","","4138.3","0.2","100","0.11","100","0.11","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C13 H20 F10 O2 P S Sb -","- C13 H20 F10 O2 P S Sb -","- C104 H160 F80 O16 P8 S8 Sb8 -","8","1","","Krieft, Jonas; Trapp, Pia C.; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mitzel, Norbert W.","A geminal antimony(iii)/phosphorus(iii) frustrated Lewis pair.","Chemical science","2024","15","30","12118","12125","10.1039/d4sc02785j","","x-ray","0.71073","MoKα","","0.0453","0.032","","","0.0699","0.0751","","","","","","1.076","","","","has coordinates,has disorder","293769","2024-08-05","18:09:48",""
"1572019","15.3875","0.0002","11.5169","0.0001","14.6407","0.0002","90","","106.704","0.001","90","","2485.09","0.05","100.01","0.13","100.01","0.13","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 F10 N O P Sb -","- C20 H25 F10 N O P Sb -","- C80 H100 F40 N4 O4 P4 Sb4 -","4","1","","Krieft, Jonas; Trapp, Pia C.; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mitzel, Norbert W.","A geminal antimony(iii)/phosphorus(iii) frustrated Lewis pair.","Chemical science","2024","15","30","12118","12125","10.1039/d4sc02785j","","x-ray","0.71073","MoKα","","0.0337","0.0287","","","0.0709","0.0739","","","","","","1.108","","","","has coordinates","293769","2024-08-05","18:09:48",""
"1572020","9.9191","0.0002","16.6017","0.0003","17.2503","0.0003","64.175","0.002","85.392","0.001","85.358","0.001","2545.37","0.09","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C20 H25 F10 N P S Sb -","- C20 H25 F10 N P S Sb -","- C80 H100 F40 N4 P4 S4 Sb4 -","4","2","","Krieft, Jonas; Trapp, Pia C.; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mitzel, Norbert W.","A geminal antimony(iii)/phosphorus(iii) frustrated Lewis pair.","Chemical science","2024","15","30","12118","12125","10.1039/d4sc02785j","","x-ray","0.71073","MoKα","","0.0454","0.03","","","0.0622","0.068","","","","","","1.035","","","","has coordinates,has disorder","293769","2024-08-05","18:09:48",""
"1572021","8.8715","0.0002","10.8958","0.0002","21.7596","0.0004","77.654","0.002","85.919","0.001","80.909","0.002","2027.35","0.07","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C26 H40 Au Cl F20 P2 Sb2 -","- C26 H40 Au Cl F20 P2 Sb2 -","- C52 H80 Au2 Cl2 F40 P4 Sb4 -","2","1","","Krieft, Jonas; Trapp, Pia C.; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mitzel, Norbert W.","A geminal antimony(iii)/phosphorus(iii) frustrated Lewis pair.","Chemical science","2024","15","30","12118","12125","10.1039/d4sc02785j","","x-ray","0.71073","MoKα","","0.0357","0.0303","","","0.0595","0.0614","","","","","","1.086","","","","has coordinates,has disorder","293769","2024-08-05","18:09:48",""
"1572022","11.728","0.0002","18.5033","0.0003","19.9201","0.0003","90","","90","","90","","4322.8","0.12","100.01","0.13","100.01","0.13","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 Au F23 O3 P2 S Sb2 -","- C27 H40 Au F23 O3 P2 S Sb2 -","- C108 H160 Au4 F92 O12 P8 S4 Sb8 -","4","1","","Krieft, Jonas; Trapp, Pia C.; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mitzel, Norbert W.","A geminal antimony(iii)/phosphorus(iii) frustrated Lewis pair.","Chemical science","2024","15","30","12118","12125","10.1039/d4sc02785j","","x-ray","0.71073","MoKα","","0.0298","0.023","","","0.0444","0.0481","","","","","","1.0693","","","","has coordinates","293769","2024-08-05","18:09:48",""
"1572023","14.3389","0.0008","23.8027","0.0013","24.6313","0.0013","90","","90","","90","","8406.8","0.8","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C104 H96 Cl2 P4 Rh2 -","- C104 H96 Cl2 P4 Rh2 -","- C416 H384 Cl8 P16 Rh8 -","4","1","","Swann, Noah; Tang, Kiki; Nam, Jihyeon; Lee, Jooyeon; Domin, Marek; Shaw, Thomas E.; Kozimor, Stosh A.; Som, Salina; Lee, Kangsang L.","Intermolecular C-H silylations of arenes and heteroarenes with mono-, bis-, and tris(trimethylsiloxy)hydrosilanes: control of silane redistribution under operationally diverse approaches.","Chemical science","2024","15","30","11912","11918","10.1039/d4sc03394a","","","0.71073","MoKα","","0.0625","0.0434","","","0.0945","0.1035","","","","","","1.019","","","","has coordinates","293774","2024-08-05","18:11:32",""
"1572024","21.5659","0.0003","21.5659","0.0003","5.0863","0.0001","90","","90","","90","","2365.58","0.07","100","0.1","100","0.1","","","","","","","","4","I -4","I -4","82","3-(Pyridin-4-yl)-2,4-diaza-3-boratricyclo[7.3.1.0^5,13^]trideca-1(13),5,7,9,11-pentaene","2-(Pyridin-4-yl)-2,3-dihydro-1<i>H</i>-naphtho[1,8-<i>de</i>][1,3,2]diazaborinine","","- C15 H12 B N3 -","- C15 H12 B N3 -","- C120 H96 B8 N24 -","8","1","BX4031","Yamamoto, Ryo; Hashimoto, Shu; Okuno, Tsunehisa","2-(Pyridin-4-yl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine","IUCrData","2024","9","6","","","10.1107/S2414314624006151","","x-ray","1.54184","CuKα","","0.0341","0.0314","","","0.0803","0.0825","","","","","","1.056","","","","has coordinates","292682","2024-07-02","02:17:36",""
"1572025","12.1954","0.0006","15.2657","0.0007","39.03","0.0016","90","","95.5629","0.0016","90","","7232","0.6","203","2","203","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Diaquatetrakis(tetrahydrofuran-κ<i>O</i>)iron(II) μ-carbonyl-tetradecacarbonyltetrachlorido-μ-dimethylsilanediolato-tetragalliumtetrairon(7 <i>Ga</i>–<i>Fe</i>)(<i>Fe</i>–<i>Fe</i>) tetrahydrofuran tetrasolvate","","- C49 H74 Cl4 Fe5 Ga4 O27 Si -","- C49 H74 Cl4 Fe5 Ga4 O27 Si -","- C196 H296 Cl16 Fe20 Ga16 O108 Si4 -","4","1","BT4151","Demmin, Mary Elizabeth; Bauer, Cary; Ruf, Michael; Harakas, George N.","trans-Diaquatetrakis(tetrahydrofuran-κO)iron(II) μ-carbonyl-tetradecacarbonyltetrachlorido-μ-dimethylsilanediolato-tetragalliumtetrairon(7 Ga–Fe)(Fe–Fe) tetrahydrofuran tetrasolvate","IUCrData","2024","9","6","","","10.1107/S2414314624006205","","","0.71073","MoKa","","0.0568","0.0406","","","0.093","0.1004","","","","","","1.039","","","","has coordinates,has disorder","292683","2024-07-02","02:18:08",""
"1572026","3.7474","0.0002","11.6254","0.0006","13.7771","0.0008","68.407","0.005","85.779","0.004","89.843","0.004","556.37","0.06","120","2","120","2","","","","","","","","3","P -1","-P 1","2","1,2,4,5-Tetrahydroxybenzene","Benzene-1,2,4,5-tetrol","","- C6 H6 O4 -","- C6 H6 O4 -","- C24 H24 O16 -","4","2","BX4030","Weare, Benjamin L.; Hoggett, Sean; Cull, William J.; Argent, Stephen P.; Khlobystov, Andrei N.; Brown, Paul D.","Benzene-1,2,4,5-tetrol","IUCrData","2024","9","6","","","10.1107/S2414314624006126","","x-ray","1.54184","CuKα","","0.0521","0.0445","","","0.1263","0.1327","","","","","","1.087","","","","has coordinates","292684","2024-07-02","02:18:24",""
"1572027","10.6808","0.0004","20.4088","0.0008","20.8267","0.0008","90","","96.752","0.002","90","","4508.4","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H60 F4 N O3 P3 S -","- C45 H60 F4 N O3 P3 S -","- C180 H240 F16 N4 O12 P12 S4 -","4","1","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","","0.71073","MoKα","","0.0575","0.0408","","","0.1005","0.1094","","","","","","1.026","","","","has coordinates,has disorder","293778","2024-08-05","18:13:06",""
"1572028","10.8554","0.001","11.7203","0.0011","18.4078","0.0016","106.573","0.002","104.787","0.002","94.53","0.003","2141.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H57 F3 N O3 P3 S -","- C44 H57 F3 N O3 P3 S -","- C88 H114 F6 N2 O6 P6 S2 -","2","1","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","","0.71073","MoKα","","0.0823","0.0515","","","0.1183","0.1376","","","","","","1.018","","","","has coordinates","293778","2024-08-05","18:13:06",""
"1572029","13.7735","0.0012","14.331","0.0012","16.4614","0.0014","67.221","0.002","80.664","0.003","64.226","0.002","2697.7","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H77 F3 N O4 P3 S -","- C54 H77 F3 N O4 P3 S -","- C108 H154 F6 N2 O8 P6 S2 -","2","1","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","","0.71073","Mokα","","0.0972","0.0517","","","0.1099","0.1284","","","","","","1.013","","","","has coordinates,has disorder","293778","2024-08-05","18:13:06",""
"1572030","9.5059","0.0005","14.4773","0.0008","21.4699","0.0012","90","","91.586","0.002","90","","2953.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H33 F3 N O3 P3 S -","- C20 H33 F3 N O3 P3 S -","- C80 H132 F12 N4 O12 P12 S4 -","4","1","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","x-ray","0.71073","MoKα","","0.0507","0.041","","","0.1112","0.1148","","","","","","1.081","","","","has coordinates","293778","2024-08-05","18:13:06",""
"1572031","11.5917","0.001","22.103","0.002","13.3286","0.0012","90","","115.243","0.003","90","","3088.8","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H37 F3 N O3 P3 S -","- C30 H37 F3 N O3 P3 S -","- C120 H148 F12 N4 O12 P12 S4 -","4","1","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","x-ray","0.71073","MoKα","","0.1575","0.0852","","","0.1812","0.2095","","","","","","1.064","","","","has coordinates","293778","2024-08-05","18:13:06",""
"1572032","14.4906","0.0006","15.0696","0.0007","17.5125","0.0009","69.989","0.002","82.093","0.002","72.732","0.002","3428.6","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H74 F6 N O3 P3 S -","- C54 H74 F6 N O3 P3 S -","- C108 H148 F12 N2 O6 P6 S2 -","2","1","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","","0.71073","Mokα","","0.0622","0.0501","","","0.1319","0.1416","","","","","","1.02","","","","has coordinates,has disorder","293778","2024-08-05","18:13:06",""
"1572033","11.005","0.002","12.506","0.002","15.198","0.003","113.278","0.006","98.207","0.007","93.456","0.007","1886","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H39 F3 N O3 P3 S -","- C35 H39 F3 N O3 P3 S -","- C70 H78 F6 N2 O6 P6 S2 -","2","1","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","","0.71073","MoKα","","0.0928","0.0526","","","0.1084","0.1261","","","","","","0.967","","","","has coordinates","293778","2024-08-05","18:13:06",""
"1572034","13.0397","0.0005","21.2666","0.0008","18.7063","0.0007","90","","101.217","0.001","90","","5088.4","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H73 F3 N O3 P3 S -","- C48 H73 F3 N O3 P3 S -","- C192 H292 F12 N4 O12 P12 S4 -","4","1","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","","0.71073","MoKα","","0.111","0.0674","","","0.1632","0.1816","","","","","","1.1","","","","has coordinates","293778","2024-08-05","18:13:06",""
"1572035","13.2057","0.0006","14.4979","0.0007","16.1649","0.0008","65.068","0.001","79.103","0.001","64.993","0.001","2543.1","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H75 F3 N O3 P3 S -","- C53 H75 F3 N O3 P3 S -","- C106 H150 F6 N2 O6 P6 S2 -","2","1","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","","0.71073","MoKα","","0.0613","0.04","","","0.088","0.0979","","","","","","1.012","","","","has coordinates","293778","2024-08-05","18:13:06",""
"1572036","13.3026","0.0007","15.258","0.0008","16.3831","0.0008","103.595","0.002","90.873","0.002","109.755","0.002","3025.6","0.3","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H38 N P3 -","- C34 H38 N P3 -","- C136 H152 N4 P12 -","4","2","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","","0.71073","MoKα","","0.074","0.0502","","","0.1208","0.1333","","","","","","1.035","","","","has coordinates","293778","2024-08-05","18:13:06",""
"1572037","13.273","0.004","8.55","0.003","24.63","0.008","90","","97.626","0.004","90","","2770.4","1.6","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C58 H76 O P6 -","- C58 H76 O P6 -","- C116 H152 O2 P12 -","2","0.5","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","x-ray","0.71073","MoKα","","0.1136","0.0694","","","0.1921","0.2279","","","","","","0.998","","","","has coordinates,has disorder","293778","2024-08-05","18:13:06",""
"1572038","15.6132","0.0009","12.7998","0.0007","26.6995","0.0016","90","","90","","90","","5335.8","0.5","296.15","","296.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C29 H36 N P3 -","- C29 H36 N P3 -","- C232 H288 N8 P24 -","8","2","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","","0.71073","MoKα","","0.0601","0.0405","","","0.0833","0.0907","","","","","","1.037","","","","has coordinates","293778","2024-08-05","18:13:06",""
"1572039","11.345","0.0008","11.9683","0.0008","15.3035","0.001","80.276","0.002","79.095","0.002","63.1","0.002","1811.4","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H54 N P3 -","- C38 H54 N P3 -","- C76 H108 N2 P6 -","2","1","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","","0.71073","MoKα","","0.0523","0.0363","","","0.1134","0.1289","","","","","","0.93","","","","has coordinates","293778","2024-08-05","18:13:06",""
"1572040","16.9451","0.0007","13.2118","0.0006","20.9116","0.001","90","","104.798","0.004","90","","4526.3","0.4","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H72 N P3 -","- C47 H72 N P3 -","- C188 H288 N4 P12 -","4","1","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","x-ray","1.54178","CuKα","","0.1001","0.0669","","","0.1526","0.1677","","","","","","1.066","","","","has coordinates","293778","2024-08-05","18:13:06",""
"1572041","8.7516","0.0004","11.3824","0.0005","20.2888","0.0011","86.071","0.002","89.119","0.003","79.852","0.002","1984.75","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H56 N P3 -","- C43 H56 N P3 -","- C86 H112 N2 P6 -","2","1","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","","0.71073","MoKα","","0.0507","0.0373","","","0.086","0.0925","","","","","","1.037","","","","has coordinates","293778","2024-08-05","18:13:06",""
"1572042","12.984","0.0004","8.7134","0.0003","42.5367","0.0014","90","","98.699","0.003","90","","4757","0.3","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H74 N P3 -","- C52 H74 N P3 -","- C208 H296 N4 P12 -","4","1","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","","1.54178","CuKα","","0.0867","0.0596","","","0.1308","0.1455","","","","","","1.042","","","","has coordinates,has disorder","293778","2024-08-05","18:13:06",""
"1572043","7.3017","0.0005","9.9102","0.0007","15.2826","0.0011","91.383","0.002","101.01","0.002","104.534","0.002","1047.75","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H32 N P3 -","- C19 H32 N P3 -","- C38 H64 N2 P6 -","2","1","","Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian","1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.","Chemical science","2024","15","30","12006","12016","10.1039/d4sc02497d","","","0.71073","MoKα","","0.0301","0.0268","","","0.0704","0.0723","","","","","","1.032","","","","has coordinates","293778","2024-08-05","18:13:06",""
"1572044","8.883","0.0005","10.7359","0.0006","10.9008","0.0006","84.098","0.002","80.59","0.002","65.9","0.001","935.44","0.09","120","2","120.15","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H19 N O3 S -","- C23 H19 N O3 S -","- C46 H38 N2 O6 S2 -","2","1","","Guin, Avishek; Deswal, Shiksha; Harariya, Mahesh Singh; Biju, Akkattu T.","Lewis acid-catalyzed diastereoselective formal ene reaction of thioindolinones/thiolactams with bicyclobutanes.","Chemical science","2024","15","31","12473","12479","10.1039/d4sc02194k","","","0.71073","MoKα","","0.0498","0.0377","","","0.096","0.103","","","","","","1.0445","","","","has coordinates","294489","2024-09-05","23:56:40",""
"1572045","10.3425","0.0002","12.0823","0.0002","10.7603","0.0002","90","","111.053","0.002","90","","1254.86","0.04","172.99","0.1","172.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H30 N8 O -","- C27 H30 N8 O -","- C54 H60 N16 O2 -","2","1","","Jiang, Yi-Fan; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang","Inherently chiral nor-heteracalixarenes: design and synthesis <i>via</i> enantioselective intramolecular Suzuki-Miyaura reaction.","Chemical science","2024","15","31","12517","12522","10.1039/d4sc03506b","","x-ray","1.54184","CuKα","","0.0339","0.0324","","","0.0826","0.0835","","","","","","1.034","","","","has coordinates","294487","2024-09-05","23:56:14",""
"1572046","10.1196","0.0001","10.2523","0.0001","15.3641","0.0002","90","","108.435","0.001","90","","1512.21","0.03","172.99","0.1","172.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H35 Cl2 N7 O2 -","- C30 H35 Cl2 N7 O2 -","- C60 H70 Cl4 N14 O4 -","2","1","","Jiang, Yi-Fan; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang","Inherently chiral nor-heteracalixarenes: design and synthesis <i>via</i> enantioselective intramolecular Suzuki-Miyaura reaction.","Chemical science","2024","15","31","12517","12522","10.1039/d4sc03506b","","x-ray","1.54184","CuKα","","0.0494","0.0477","","","0.1276","0.129","","","","","","1.05","","","","has coordinates","294487","2024-09-05","23:56:15",""
"1572047","17.6378","0.0009","4.1739","0.0003","24.0146","0.0011","90","","106.817","0.003","90","","1692.31","0.17","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N3 O3 -","- C18 H23 N3 O3 -","- C72 H92 N12 O12 -","4","1","","Hanna, Fergal E.; Root, Alexander J.; Schade, Markus; Hunter, Christopher A.","Negative cooperativity in the formation of H-bond networks involving primary anilines.","Chemical science","2024","15","30","12036","12041","10.1039/d4sc03719g","","","1.54178","CuKα","","0.0823","0.052","","","0.1164","0.1349","","","","","","1.029","","","","has coordinates","293773","2024-08-05","18:11:22",""
"1572048","9.2454","0.0013","19.524","0.003","29.571","0.006","90","","92.763","0.007","90","","5331.6","1.6","193","","193","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C60 H64 B Cl N O3.5 P -","- C58.5 H58 B Cl N O2 P -","- C234 H232 B4 Cl4 N4 O8 P4 -","4","2","","Wang, Yu; Lv, Zi-Yi; Chen, Zi-Xuan; Xing, Shuai; Huo, Zhong-Zhong; Hong, Xian-Fang; Yuan, Li; Li, Wei; Zheng, You-Xuan","Multiple-resonance thermally activated delayed fluorescence materials based on phosphorus central chirality for efficient circularly polarized electroluminescence","Materials Horizons","2024","11","19","4722","4729","10.1039/D4MH00605D","","","1.54178","CuKα","","0.1465","0.0923","","","0.2425","0.2883","","","","","","1.009","","","","has coordinates,has disorder","295349","2024-10-06","09:31:48",""
"1572049","32.7114","0.0013","32.7114","0.0013","23.7266","0.0014","90","","90","","120","","21986.9","1.8","193","","193","","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C69 H72 B Cl8 N2 O2 P -","- C64 H60 B N2 O P -","- C768 H720 B12 N24 O12 P12 -","12","2","","Wang, Yu; Lv, Zi-Yi; Chen, Zi-Xuan; Xing, Shuai; Huo, Zhong-Zhong; Hong, Xian-Fang; Yuan, Li; Li, Wei; Zheng, You-Xuan","Multiple-resonance thermally activated delayed fluorescence materials based on phosphorus central chirality for efficient circularly polarized electroluminescence","Materials Horizons","2024","11","19","4722","4729","10.1039/D4MH00605D","","x-ray","1.54178","CuKα","","0.1217","0.0827","","","0.2313","0.2824","","","","","","1.002","","","","has coordinates,has disorder","295349","2024-10-06","09:31:48",""
"1572050","11.7692","0.0005","12.3869","0.0006","31.3291","0.0012","90","","90","","90","","4567.3","0.3","150","2","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C55 H57 B2 N Se -","- C55 H57 B2 N Se -","- C220 H228 B8 N4 Se4 -","4","1","","Zhong, Daokun; Liu, Siqi; Yue, Ling; Feng, Zhao; Wang, Hongyan; Yang, Peng; Su, Bochao; Yang, Xiaolong; Sun, Yuanhui; Zhou, Guijiang","Achieving pure room temperature phosphorescence (RTP) in phenoselenazine-based organic emitters through synergism among heavy atom effect, enhanced n → π* transitions and magnified electron coupling by the A-D-A molecular configuration.","Chemical science","2024","15","24","9112","9119","10.1039/d4sc01200c","","","0.71073","MoKα","","0.0824","0.0427","","","0.083","0.0963","","","","","","0.995","","","","has coordinates","292728","2024-07-04","04:38:43",""
"1572051","14.8492","0.0003","15.4702","0.0004","22.7707","0.0006","89.501","0.002","84.631","0.002","86.365","0.0019","5197.4","0.2","173","0.1","173","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C211 H174 Cl6 Cu8 F24 N8 O8 P12 Pt4 -","- C211 H174 Cl6 Cu8 F24 N8 O8 P12 Pt4 -","- C211 H174 Cl6 Cu8 F24 N8 O8 P12 Pt4 -","1","0.5","","Zhong, Rui-Ru; Xie, Mo; Luan, Cui-Zhou; Zhang, Lin-Mei; Hao, De-Bo; Yuan, Shang-Fu; Wu, Tao","Highly intense NIR emissive Cu<sub>4</sub>Pt<sub>2</sub> bimetallic clusters featuring Pt(i)-Cu<sub>4</sub>-Pt(i) sandwich kernel.","Chemical science","2024","15","20","7552","7559","10.1039/d4sc01022a","","x-ray","1.54184","CuKα","","0.0505","0.0377","","","0.0891","0.0957","","","","","","1.031","","","","has coordinates","292729","2024-07-04","04:49:25",""
"1572052","22.2403","0.0003","19.9911","0.0002","22.5255","0.0003","90","","94.39","0.001","90","","9985.6","0.2","100.01","0.11","100.01","0.11","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C116 H84 Cu4 F12 N4 P6 Pt2 -","- C116 H84 Cu4 F12 N4 P6 Pt2 -","- C464 H336 Cu16 F48 N16 P24 Pt8 -","4","0.5","","Zhong, Rui-Ru; Xie, Mo; Luan, Cui-Zhou; Zhang, Lin-Mei; Hao, De-Bo; Yuan, Shang-Fu; Wu, Tao","Highly intense NIR emissive Cu<sub>4</sub>Pt<sub>2</sub> bimetallic clusters featuring Pt(i)-Cu<sub>4</sub>-Pt(i) sandwich kernel.","Chemical science","2024","15","20","7552","7559","10.1039/d4sc01022a","","x-ray","1.54184","CuKα","","0.0527","0.0469","","","0.1313","0.135","","","","","","1.09","","","","has coordinates","292729","2024-07-04","04:49:26",""
"1572053","30.1604","0.0008","14.9159","0.0003","25.3705","0.0008","90","","110.963","0.003","90","","10658","0.5","173","0.1","173","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C105 H74 Cl2 Cu4 F24 N4 P6 Pt2 -","- C105 H74 Cl2 Cu4 F24 N4 P6 Pt2 -","- C420 H296 Cl8 Cu16 F96 N16 P24 Pt8 -","4","1","","Zhong, Rui-Ru; Xie, Mo; Luan, Cui-Zhou; Zhang, Lin-Mei; Hao, De-Bo; Yuan, Shang-Fu; Wu, Tao","Highly intense NIR emissive Cu<sub>4</sub>Pt<sub>2</sub> bimetallic clusters featuring Pt(i)-Cu<sub>4</sub>-Pt(i) sandwich kernel.","Chemical science","2024","15","20","7552","7559","10.1039/d4sc01022a","","","1.54184","CuKα","","0.0948","0.0596","","","0.1366","0.1548","","","","","","1.039","","","","has coordinates,has disorder","292729","2024-07-04","04:49:26",""
"1572054","24.0292","0.0003","23.4432","0.0003","20.9407","0.0003","90","","90.254","0.001","90","","11796.2","0.3","100","0.11","100","0.11","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C138 H106 Cu4 F12 N4 P6 Pt2 -","- C138 H108 Cu4 F12 N4 P6 Pt2 -","- C552 H432 Cu16 F48 N16 P24 Pt8 -","4","1","","Zhong, Rui-Ru; Xie, Mo; Luan, Cui-Zhou; Zhang, Lin-Mei; Hao, De-Bo; Yuan, Shang-Fu; Wu, Tao","Highly intense NIR emissive Cu<sub>4</sub>Pt<sub>2</sub> bimetallic clusters featuring Pt(i)-Cu<sub>4</sub>-Pt(i) sandwich kernel.","Chemical science","2024","15","20","7552","7559","10.1039/d4sc01022a","","x-ray","1.54184","CuKα","","0.0752","0.0584","","","0.1495","0.1577","","","","","","1.021","","","","has coordinates","292729","2024-07-04","04:49:26",""
"1572055","27.8806","0.0011","14.6603","0.0004","29.4612","0.0011","90","","117.331","0.005","90","","10697.7","0.8","173","0.1","173","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C101 H74 Cl2 Cu4 F16 N4 P6 Pt2 -","- C101 H74 Cl2 Cu4 F16 N4 P6 Pt2 -","- C404 H296 Cl8 Cu16 F64 N16 P24 Pt8 -","4","1","","Zhong, Rui-Ru; Xie, Mo; Luan, Cui-Zhou; Zhang, Lin-Mei; Hao, De-Bo; Yuan, Shang-Fu; Wu, Tao","Highly intense NIR emissive Cu<sub>4</sub>Pt<sub>2</sub> bimetallic clusters featuring Pt(i)-Cu<sub>4</sub>-Pt(i) sandwich kernel.","Chemical science","2024","15","20","7552","7559","10.1039/d4sc01022a","","","1.54184","CuKα","","0.1293","0.0879","","","0.2306","0.255","","","","","","1.064","","","","has coordinates","292729","2024-07-04","04:49:26",""
"1572056","10.2995","0.0004","25.7122","0.0017","12.4585","0.0016","90","","104.672","0.007","90","","3191.7","0.5","290.19","0.1","290.19","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H38 N2 -","- C42 H38 N2 -","- C168 H152 N8 -","4","1","","Zhou, Yu-Qiang; He, Kui-Cheng; Zheng, Wei-Hao; Lv, Jing-Fang; He, Shi-Mei; Yu, Ning; Yang, Yun-Bo; Liu, Lv-Yan; Jiang, Kun; Wei, Ye","1,5-Hydrogen atom transfer of α-iminyl radical cations: a new platform for relay annulation for pyridine derivatives and axially chiral heterobiaryls.","Chemical science","2024","15","20","7502","7514","10.1039/d4sc01858c","","x-ray","1.54184","CuKα","","0.0463","0.0428","","","0.1146","0.1179","","","","","","1.057","","","","has coordinates","292730","2024-07-04","04:50:15",""
"1572057","8.15719","0.00019","11.2106","0.0002","27.1349","0.0006","90","","90","","90","","2481.41","0.09","291.19","0.1","291.19","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 N O2 -","- C30 H29 N O2 -","- C120 H116 N4 O8 -","4","1","","Zhou, Yu-Qiang; He, Kui-Cheng; Zheng, Wei-Hao; Lv, Jing-Fang; He, Shi-Mei; Yu, Ning; Yang, Yun-Bo; Liu, Lv-Yan; Jiang, Kun; Wei, Ye","1,5-Hydrogen atom transfer of α-iminyl radical cations: a new platform for relay annulation for pyridine derivatives and axially chiral heterobiaryls.","Chemical science","2024","15","20","7502","7514","10.1039/d4sc01858c","","x-ray","1.54184","CuKα","","0.0533","0.0502","","","0.1411","0.146","","","","","","1.057","","","","has coordinates","292730","2024-07-04","04:50:15",""
"1572058","9.03","0.02","10.515","0.019","14.25","0.019","103.95","0.11","106.54","0.08","97.14","0.12","1231","4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H19 Br Cl6 N2 Pd Sn -","- C14 H19 Br Cl6 N2 Pd Sn -","- C28 H38 Br2 Cl12 N4 Pd2 Sn2 -","2","1","","Nayak, Mukesh Kumar; Maharana, Rajat Rajiv; Mohanty, Anuradha; Samanta, Kousik; Roy, Sujit","Effect of N-heterocyclic carbene in palladium–tin heterobimetallic catalysis: a DFT supported study on the C3–H functionalization of unprotected indoles","Catalysis Science & Technology","2024","14","16","4674","4683","10.1039/D4CY00224E","","","0.71073","MoKα","","0.0899","0.0598","","","0.1652","0.2002","","","","","","1.052","","","","has coordinates","294400","2024-09-05","22:48:53",""
"1572059","20.4511","0.0004","20.4148","0.0004","25.8502","0.0006","90","","96.905","0.001","90","","10714.3","0.4","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28.75 H27.5 Cl1.5 N4 O2 -","- C28.75 H27.5 Cl1.5 N4 O2 -","- C460 H440 Cl24 N64 O32 -","16","4","","Cheng, Jun; Yang, Liuqing; Wang, Ruiyao; Wisner, James A.; Ding, Zhifeng; Wang, Hong-Bo","Intensified electrochemiluminescence and photoluminescence <i>via</i> supramolecular anion recognition interactions.","Chemical science","2024","15","31","12291","12300","10.1039/d4sc03338h","","","1.54178","CuKα","","0.0718","0.0585","","","0.1557","0.1731","","","","","","1.021","","","","has coordinates,has disorder","294480","2024-09-05","23:54:24",""
"1572060","19.5712","0.0006","5.9154","0.0001","20.8266","0.0006","90","","115.442","0.004","90","","2177.3","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 N2 O -","- C27 H30 N2 O -","- C108 H120 N8 O4 -","4","1","","Körner, Lukas; Bockfeld, Dirk; Bannenberg, Thomas; Tamm, Matthias","2,3-Diamino-4,5-diarylcyclopentadienone iron carbonyl complexes as catalysts for reductive amination reactions","Catalysis Science & Technology","2024","14","16","4522","4532","10.1039/D4CY00372A","","x-ray","1.54184","CuKα","","0.044","0.0367","","","0.0886","0.0926","","","","","","1.025","","","","has coordinates","294398","2024-09-05","22:48:23",""
"1572061","9.5244","0.0005","27.728","0.001","10.4699","0.0005","90","","114.029","0.007","90","","2525.4","0.2","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Fe N2 O4 -","- C30 H30 Fe N2 O4 -","- C120 H120 Fe4 N8 O16 -","4","1","","Körner, Lukas; Bockfeld, Dirk; Bannenberg, Thomas; Tamm, Matthias","2,3-Diamino-4,5-diarylcyclopentadienone iron carbonyl complexes as catalysts for reductive amination reactions","Catalysis Science & Technology","2024","14","16","4522","4532","10.1039/D4CY00372A","","x-ray","0.71073","MoKα","","0.0638","0.0417","","","0.09","0.1007","","","","","","1.046","","","","has coordinates","294398","2024-09-05","22:48:24",""
"1572062","11.1925","0.0005","28.2554","0.0008","12.9763","0.0006","90","","113.551","0.006","90","","3761.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41.71 H50.77 Fe N3 O3 -","- C41.705 H50.77 Fe N3 O3 -","- C166.82 H203.08 Fe4 N12 O12 -","4","1","","Körner, Lukas; Bockfeld, Dirk; Bannenberg, Thomas; Tamm, Matthias","2,3-Diamino-4,5-diarylcyclopentadienone iron carbonyl complexes as catalysts for reductive amination reactions","Catalysis Science & Technology","2024","14","16","4522","4532","10.1039/D4CY00372A","","x-ray","0.71073","MoKα","","0.0916","0.0675","","","0.1425","0.1516","","","","","","1.125","","","","has coordinates,has disorder","294398","2024-09-05","22:48:24",""
"1572063","10.59054","0.00012","15.4277","0.0002","23.2167","0.0003","101.099","0.0012","99.234","0.001","103.291","0.0008","3538.47","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H40 F6 Fe N2 O4 -","- C38 H40 F6 Fe N2 O4 -","- C152 H160 F24 Fe4 N8 O16 -","4","2","","Körner, Lukas; Bockfeld, Dirk; Bannenberg, Thomas; Tamm, Matthias","2,3-Diamino-4,5-diarylcyclopentadienone iron carbonyl complexes as catalysts for reductive amination reactions","Catalysis Science & Technology","2024","14","16","4522","4532","10.1039/D4CY00372A","","x-ray","0.71073","MoKα","","0.1161","0.0855","","","0.231","0.2484","","","","","","1.049","","","","has coordinates,has disorder","294398","2024-09-05","22:48:24",""
"1572064","10.7552","0.0004","11.5325","0.0003","14.6781","0.0006","106.515","0.003","110.781","0.004","94.22","0.003","1600.72","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H32.5 F6 Fe N3.5 O3 -","- C33 H31 F6 Fe N3 O3 -","- C66 H62 F12 Fe2 N6 O6 -","2","1","","Körner, Lukas; Bockfeld, Dirk; Bannenberg, Thomas; Tamm, Matthias","2,3-Diamino-4,5-diarylcyclopentadienone iron carbonyl complexes as catalysts for reductive amination reactions","Catalysis Science & Technology","2024","14","16","4522","4532","10.1039/D4CY00372A","","x-ray","1.54184","CuKα","","0.0619","0.0606","","","0.1657","0.1675","","","","","","1.054","","","","has coordinates,has disorder","294398","2024-09-05","22:48:24",""
"1572065","18.6211","0.0006","16.9942","0.0004","32.0027","0.0008","90","","90","","90","","10127.3","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H28 F6 N2 O -","- C29 H28 F6 N2 O -","- C464 H448 F96 N32 O16 -","16","2","","Körner, Lukas; Bockfeld, Dirk; Bannenberg, Thomas; Tamm, Matthias","2,3-Diamino-4,5-diarylcyclopentadienone iron carbonyl complexes as catalysts for reductive amination reactions","Catalysis Science & Technology","2024","14","16","4522","4532","10.1039/D4CY00372A","","x-ray","1.54184","CuKα","","0.1081","0.0622","","","0.1503","0.1727","","","","","","1.015","","","","has coordinates,has disorder","294398","2024-09-05","22:48:24",""
"1572066","12.3708","0.0003","12.4378","0.0002","13.3652","0.0003","99.388","0.002","97.45","0.002","109.19","0.002","1878.73","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H47 Cl3 Fe N2 O4 -","- C39 H47 Cl3 Fe N2 O4 -","- C78 H94 Cl6 Fe2 N4 O8 -","2","1","","Körner, Lukas; Bockfeld, Dirk; Bannenberg, Thomas; Tamm, Matthias","2,3-Diamino-4,5-diarylcyclopentadienone iron carbonyl complexes as catalysts for reductive amination reactions","Catalysis Science & Technology","2024","14","16","4522","4532","10.1039/D4CY00372A","","x-ray","1.54184","CuKα","","0.0326","0.0322","","","0.0859","0.0862","","","","","","1.083","","","","has coordinates","294398","2024-09-05","22:48:24",""
"1572067","11.1854","0.0005","12.6987","0.0005","14.8312","0.0007","86.447","0.004","71.724","0.004","71.449","0.004","1894.75","0.16","101","2","101","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H56 Fe N3 O3 -","- C42 H56 Fe N3 O3 -","- C84 H112 Fe2 N6 O6 -","2","1","","Körner, Lukas; Bockfeld, Dirk; Bannenberg, Thomas; Tamm, Matthias","2,3-Diamino-4,5-diarylcyclopentadienone iron carbonyl complexes as catalysts for reductive amination reactions","Catalysis Science & Technology","2024","14","16","4522","4532","10.1039/D4CY00372A","","x-ray","0.71073","MoKα","","0.1178","0.0847","","","0.1506","0.1632","","","","","","1.089","","","","has coordinates,has disorder","294398","2024-09-05","22:48:24",""
"1572068","9.9427","0.0002","10.8687","0.0002","16.2473","0.0003","105.165","0.001","92.602","0.001","114.222","0.002","1521.98","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 Fe N2 O4 -","- C34 H38 Fe N2 O4 -","- C68 H76 Fe2 N4 O8 -","2","1","","Körner, Lukas; Bockfeld, Dirk; Bannenberg, Thomas; Tamm, Matthias","2,3-Diamino-4,5-diarylcyclopentadienone iron carbonyl complexes as catalysts for reductive amination reactions","Catalysis Science & Technology","2024","14","16","4522","4532","10.1039/D4CY00372A","","x-ray","0.71073","MoKα","","0.0371","0.0302","","","0.086","0.0885","","","","","","1.057","","","","has coordinates","294398","2024-09-05","22:48:24",""
"1572069","11.389","0.0005","28.6159","0.0007","10.6867","0.0005","90","","117.667","0.005","90","","3084.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34.5 H37 Fe N3 O3 -","- C34.5 H37 Fe N3 O3 -","- C138 H148 Fe4 N12 O12 -","4","1","","Körner, Lukas; Bockfeld, Dirk; Bannenberg, Thomas; Tamm, Matthias","2,3-Diamino-4,5-diarylcyclopentadienone iron carbonyl complexes as catalysts for reductive amination reactions","Catalysis Science & Technology","2024","14","16","4522","4532","10.1039/D4CY00372A","","x-ray","0.71073","MoKα","","0.0724","0.0522","","","0.1229","0.1312","","","","","","1.056","","","","has coordinates,has disorder","294398","2024-09-05","22:48:24",""
"1572070","7.1127","0.0002","14.31","0.0004","21.7165","0.0006","90","","98.189","0.003","90","","2187.83","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 Fe N3 O3 -","- C25 H23 Fe N3 O3 -","- C100 H92 Fe4 N12 O12 -","4","1","","Körner, Lukas; Bockfeld, Dirk; Bannenberg, Thomas; Tamm, Matthias","2,3-Diamino-4,5-diarylcyclopentadienone iron carbonyl complexes as catalysts for reductive amination reactions","Catalysis Science & Technology","2024","14","16","4522","4532","10.1039/D4CY00372A","","x-ray","0.71073","MoKα","","0.0484","0.0356","","","0.0942","0.0987","","","","","","1.056","","","","has coordinates","294398","2024-09-05","22:48:24",""
"1572071","18.3373","0.0004","6.019","0.0001","24.2331","0.0004","90","","104.751","0.002","90","","2586.51","0.09","100","2","100","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C35 H28 B -","- C35 H28 B -","- C140 H112 B4 -","4","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Fuchs, Sonja; Nees, Samuel; Härterich, Marcel; Braunschweig, Holger","The forgotten borole: synthesis, properties and reactivity of a 1-boraindene.","Chemical science","2024","15","31","12496","12501","10.1039/d4sc03817g","","x-ray","1.54184","CuKα","K-L~2,3~","0.1005","0.0663","","","0.1623","0.1858","","","","","","1.042","","","","has coordinates,has disorder","294490","2024-09-05","23:56:58",""
"1572072","13.2512","0.0002","14.8632","0.0001","14.8307","0.0002","90","","113.055","0.002","90","","2687.68","0.07","100","2","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 B N -","- C35 H30 B N -","- C140 H120 B4 N4 -","4","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Fuchs, Sonja; Nees, Samuel; Härterich, Marcel; Braunschweig, Holger","The forgotten borole: synthesis, properties and reactivity of a 1-boraindene.","Chemical science","2024","15","31","12496","12501","10.1039/d4sc03817g","","","1.54184","CuKα","","0.0542","0.0417","","","0.1055","0.1128","","","","","","1.027","","","","has coordinates","294490","2024-09-05","23:56:59",""
"1572073","13.6258","0.0001","13.39","0.0002","12.5357","0.0001","90","","98.732","0.001","90","","2260.62","0.04","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C31 H24 B N -","- C31 H24 B N -","- C124 H96 B4 N4 -","4","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Fuchs, Sonja; Nees, Samuel; Härterich, Marcel; Braunschweig, Holger","The forgotten borole: synthesis, properties and reactivity of a 1-boraindene.","Chemical science","2024","15","31","12496","12501","10.1039/d4sc03817g","","x-ray","1.54184","CuKα","K-L~2,3~","0.0319","0.0316","","","0.0806","0.0808","","","","","","1.076","","","","has coordinates","294490","2024-09-05","23:56:59",""
"1572074","9.9393","0.0002","15.2431","0.0002","16.3736","0.0003","85.65","0.001","86.819","0.002","89.362","0.001","2469.68","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H55 B2 N3 Si -","- C62 H55 B2 N3 Si -","- C124 H110 B4 N6 Si2 -","2","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Fuchs, Sonja; Nees, Samuel; Härterich, Marcel; Braunschweig, Holger","The forgotten borole: synthesis, properties and reactivity of a 1-boraindene.","Chemical science","2024","15","31","12496","12501","10.1039/d4sc03817g","","x-ray","1.54184","CuKα","K-L~2,3~","0.0927","0.0833","","","0.2269","0.2381","","","","","","1.041","","","","has coordinates,has disorder","294490","2024-09-05","23:56:59",""
"1572075","12.3326","0.0002","16.072","0.0002","13.3588","0.0002","90","","92.427","0.001","90","","2645.47","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 B O P -","- C32 H34 B O P -","- C128 H136 B4 O4 P4 -","4","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Fuchs, Sonja; Nees, Samuel; Härterich, Marcel; Braunschweig, Holger","The forgotten borole: synthesis, properties and reactivity of a 1-boraindene.","Chemical science","2024","15","31","12496","12501","10.1039/d4sc03817g","","x-ray","1.54184","CuKα","K-L~2,3~","0.0506","0.044","","","0.1104","0.114","","","","","","1.069","","","","has coordinates,has disorder","294490","2024-09-05","23:56:59",""
"1572076","10.9933","0.0002","12.0387","0.0002","17.7494","0.0003","90","","106.511","0.002","90","","2252.18","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H27 B O -","- C30 H27 B O -","- C120 H108 B4 O4 -","4","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Fuchs, Sonja; Nees, Samuel; Härterich, Marcel; Braunschweig, Holger","The forgotten borole: synthesis, properties and reactivity of a 1-boraindene.","Chemical science","2024","15","31","12496","12501","10.1039/d4sc03817g","","x-ray","1.54184","CuKα","K-L~2,3~","0.0555","0.0431","","","0.1117","0.1189","","","","","","1.044","","","","has coordinates,has disorder","294490","2024-09-05","23:56:59",""
"1572077","10.9399","0.0001","13.5758","0.0002","19.8961","0.0002","90","","104.763","0.001","90","","2857.38","0.06","100","2","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 B N2 -","- C36 H32 B N2 -","- C144 H128 B4 N8 -","4","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Fuchs, Sonja; Nees, Samuel; Härterich, Marcel; Braunschweig, Holger","The forgotten borole: synthesis, properties and reactivity of a 1-boraindene.","Chemical science","2024","15","31","12496","12501","10.1039/d4sc03817g","","","1.54184","CuKα","","0.0485","0.0449","","","0.1147","0.1175","","","","","","1.024","","","","has coordinates,has disorder","294490","2024-09-05","23:56:59",""
"1572078","13.0612","0.0002","11.3209","0.0001","16.7015","0.0002","90","","106.225","0.001","90","","2371.2","0.05","100","2","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 B N Si -","- C29 H28 B N Si -","- C116 H112 B4 N4 Si4 -","4","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Fuchs, Sonja; Nees, Samuel; Härterich, Marcel; Braunschweig, Holger","The forgotten borole: synthesis, properties and reactivity of a 1-boraindene.","Chemical science","2024","15","31","12496","12501","10.1039/d4sc03817g","","","1.54184","CuKα","","0.0521","0.0444","","","0.1163","0.1214","","","","","","1.035","","","","has coordinates","294490","2024-09-05","23:56:59",""
"1572079","13.4563","0.0001","30.1996","0.0002","11.7809","0.0001","90","","97.829","0.001","90","","4742.84","0.06","100","2","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H53 B2 N3 Si -","- C61 H53 B2 N3 Si -","- C244 H212 B8 N12 Si4 -","4","1","","Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Fuchs, Sonja; Nees, Samuel; Härterich, Marcel; Braunschweig, Holger","The forgotten borole: synthesis, properties and reactivity of a 1-boraindene.","Chemical science","2024","15","31","12496","12501","10.1039/d4sc03817g","","","1.54184","CuKα","","0.0461","0.0442","","","0.1159","0.1173","","","","","","1.021","","","","has coordinates","294490","2024-09-05","23:56:59",""
"1572080","24.7977","0.0011","3.9818","0.0002","24.8783","0.001","90","","97.267","0.004","90","","2436.74","0.19","303.7","0.4","303.7","0.4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H21 N O S -","- C36 H21 N O S -","- C144 H84 N4 O4 S4 -","4","1","","Huang, Wenbin; Zhu, Yuxin; Xie, Xinwei; Tang, Guanqun; Zhou, Kang; Song, Lijuan; He, Zikai","Utilizing weakly donor-acceptor ternary π-conjugated architecture to achieve single-component white luminescence and stimulus-responsive room-temperature phosphorescence.","Chemical science","2024","15","31","12316","12325","10.1039/d4sc02525c","","x-ray","1.54184","CuKα","","0.1137","0.0537","","","0.1218","0.1524","","","","","","0.923","","","","has coordinates","294488","2024-09-05","23:56:24",""
"1572081","19.1082","0.0012","3.94","0.0002","32.2145","0.0017","90","","90","","90","","2425.3","0.2","99.99","0.1","99.99","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C36 H21 N S2 -","- C36 H21 N S2 -","- C144 H84 N4 S8 -","4","1","","Huang, Wenbin; Zhu, Yuxin; Xie, Xinwei; Tang, Guanqun; Zhou, Kang; Song, Lijuan; He, Zikai","Utilizing weakly donor-acceptor ternary π-conjugated architecture to achieve single-component white luminescence and stimulus-responsive room-temperature phosphorescence.","Chemical science","2024","15","31","12316","12325","10.1039/d4sc02525c","","x-ray","1.54184","CuKα","","0.0978","0.0792","","","0.2408","0.273","","","","","","1.133","","","","has coordinates","294488","2024-09-05","23:56:24",""
"1572082","6.187","0.0017","8.034","0.002","65.131","0.017","90","","90","","90","","3237.4","1.5","193","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H36 O6 S -","- C38 H36 O6 S -","- C152 H144 O24 S4 -","4","1","","Li, Yantao; Bai, Haonan; Gao, Qi; Liu, Kai; Han, Jie; Li, Weipeng; Zhu, Chengjian; Xie, Jin","Stereoselective benzylic C(sp<sup>3</sup>)-H alkenylation enabled by metallaphotoredox catalysis.","Chemical science","2024","15","31","12511","12516","10.1039/d4sc02830a","","","1.54178","CuKα","","0.0736","0.0516","","","0.1224","0.1354","","","","","","1.053","","","","has coordinates","294485","2024-09-05","23:55:54",""
"1572083","12.9179","0.0003","17.0625","0.0004","17.3348","0.0004","94.909","0.001","97.056","0.001","91.956","0.001","3774.09","0.15","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C89 H82 Cl4 N4 O8 -","- C89 H82 Cl4 N4 O8 -","- C178 H164 Cl8 N8 O16 -","2","1","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","1.34139","GaKα","","0.134","0.0842","","","0.2324","0.2696","","","","","","1.038","","","","has coordinates,has disorder","294473","2024-09-05","23:48:50",""
"1572084","12.6808","0.0011","24.763","0.002","18.6875","0.0016","90","","97.784","0.006","90","","5814.1","0.9","301","2","301","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H66 Cu0.25 I0.25 N7 O3 -","- C65 H60 N2 O8 -","- C260 H240 N8 O32 -","4","1","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","","1.54178","cukα","","0.1047","0.0643","","","0.1578","0.1868","","","","","","1.013","","","","has coordinates","294473","2024-09-05","23:48:51",""
"1572085","10.3276","0.0009","32.363","0.002","25.149","0.002","90","","95.279","0.003","90","","8370","1.1","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C102 H99 N4 O9.5 -","- C102 H96 N4 O8 -","- C408 H384 N16 O32 -","4","1","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","0.71073","MoKα","","0.1995","0.0982","","","0.1608","0.2024","","","","","","1.096","","","","has coordinates,has disorder","294473","2024-09-05","23:48:51",""
"1572086","12.1284","0.0009","21.1102","0.0019","35.055","0.003","90","","96.044","0.004","90","","8925.3","1.3","193","","193","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C164 H202 Cu4 N10 O46 -","- C149 H155 Cu4 N5 O35 -","- C298 H310 Cu8 N10 O70 -","2","1","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","1.34139","GaKα","","0.1338","0.0678","","","0.171","0.1979","","","","","","1.001","","","","has coordinates","294473","2024-09-05","23:48:51",""
"1572087","12.0846","0.0019","21.322","0.004","19.015","0.003","90","","104.018","0.005","90","","4753.6","1.4","292","","292","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C85 H102 Cu2 N6 O21 -","- C76 H79 Cu2 N3 O17 -","- C152 H158 Cu4 N6 O34 -","2","1","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","0.71073","MoKα","","0.1012","0.0696","","","0.1862","0.2079","","","","","","1.039","","","","has coordinates,has disorder","294473","2024-09-05","23:48:51",""
"1572088","12.358","0.0003","16.3529","0.0004","17.9257","0.0004","97.387","0.001","103.424","0.001","98.455","0.001","3435.12","0.14","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C76 H81 Cu2 N3 O18 -","- C76 H81 Cu2 N3 O18 -","- C152 H162 Cu4 N6 O36 -","2","1","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","","0.71073","MoKα","","0.1013","0.0765","","","0.2088","0.2213","","","","","","1.063","","","","has coordinates,has disorder","294473","2024-09-05","23:48:51",""
"1572089","19.721","0.005","21.191","0.005","13.551","0.003","90","","90","","90","","5663","2","193","","193","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C112 H114 Cu2 N6 O18 -","- C106 H100 Cu2 N4 O16 -","- C212 H200 Cu4 N8 O32 -","2","0.5","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","0.71073","MoKα","","0.1488","0.0901","","","0.2368","0.2844","","","","","","0.965","","","","has coordinates,has disorder","294473","2024-09-05","23:48:51",""
"1572090","13.9766","0.0005","18.8234","0.0008","24.3526","0.0009","112.329","0.001","103.588","0.001","92.94","0.001","5689.8","0.4","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C100 H109 Co N11 O19 -","- C88 H79 Co N7.001 O14.003 -","- C176 H158 Co2 N14.002 O28.006 -","2","1","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","0.71073","MoKα","","0.1353","0.0845","","","0.2301","0.2653","","","","","","1.022","","","","has coordinates,has disorder","294473","2024-09-05","23:48:51",""
"1572091","13.9662","0.0006","14.997","0.0006","20.3479","0.0008","94.792","0.002","106.615","0.003","92.619","0.003","4058.9","0.3","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C81 H102 Co N6 O20 -","- C72 H73 Co N3 O13 -","- C144 H146 Co2 N6 O26 -","2","1","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","1.34139","GaKα","","0.2276","0.1242","","","0.2793","0.3242","","","","","","1.017","","","","has coordinates,has disorder","294473","2024-09-05","23:48:51",""
"1572092","19.8","0.003","21.138","0.004","13.471","0.003","90","","90","","90","","5638","1.9","193","","193","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C112 H122 Cu2 N6 O22 -","- C106 H100 Cu2 N4 O16 -","- C212 H200 Cu4 N8 O32 -","2","0.5","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","0.71073","MoKα","","0.1204","0.0874","","","0.2423","0.2795","","","","","","1.008","","","","has coordinates,has disorder","294473","2024-09-05","23:48:51",""
"1572093","16.692","0.002","19.198","0.003","20.104","0.003","69.195","0.004","81.27","0.004","83.209","0.003","5938.1","1.5","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C126 H148 Cu3 N8 O27 -","- C114 H114 Cu3 N4 O20 -","- C228 H228 Cu6 N8 O40 -","2","1","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","0.71073","MoKα","","0.1664","0.1238","","","0.3054","0.3325","","","","","","1.103","","","","has coordinates","294473","2024-09-05","23:48:51",""
"1572094","22.8584","0.0007","41.6812","0.0012","13.7257","0.0005","90","","92.088","0.002","90","","13068.7","0.7","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C117 H146 Cu2 N7 O30 -","- C111 H112 Cu2 N5 O18 -","- C444 H448 Cu8 N20 O72 -","4","0.5","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","1.54178","CuKα","","0.1173","0.0992","","","0.2673","0.2841","","","","","","1.141","","","","has coordinates,has disorder","294473","2024-09-05","23:48:51",""
"1572095","13.7025","0.0003","22.6702","0.0005","41.6085","0.001","90","","90","","90","","12925.2","0.5","193","","193","","","","","","","","","6","P n n n :2","-P 2ab 2bc","48","","","","- C114 H136 Cu2 I4 N8 O18 -","- C102 H103.996 Cu2 I4 N4 O11.998 -","- C408 H415.984 Cu8 I16 N16 O47.992 -","4","0.5","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","1.54178","CuKα","","0.1716","0.1319","","","0.3146","0.3384","","","","","","1.142","","","","has coordinates,has disorder","294473","2024-09-05","23:48:51",""
"1572096","30.2976","0.0008","30.0377","0.0008","15.67","0.0004","90","","91.577","0.001","90","","14255.4","0.6","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C124 H154 Cu4 N6 O36 -","- C124 H134 Cu4 N6 O26 -","- C496 H536 Cu16 N24 O104 -","4","0.5","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","1.54178","CuKα","","0.069","0.0616","","","0.1833","0.1893","","","","","","1.024","","","","has coordinates,has disorder","294473","2024-09-05","23:48:51",""
"1572097","18.5576","0.0019","40.892","0.004","24.167","0.002","90","","90.15","0.006","90","","18339","3","193","","193","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C409 H429 Co8 N29 O76.5 -","- C370 H328 Co8 N16 O58.5 -","- C740 H656 Co16 N32 O117 -","2","1","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","1.34139","GaKα","","0.2205","0.1129","","","0.2609","0.3069","","","","","","1.248","","","","has coordinates","294473","2024-09-05","23:48:51",""
"1572098","13.2377","0.0003","14.9966","0.0003","20.4324","0.0004","81.365","0.002","71.316","0.002","86.856","0.002","3798.83","0.15","153","2","153.15","","","","","","","","","7","P -1","-P 1","2","","","","- C75.69 H82.28 Cl0.41 Cu I0 N4.5 O13.69 -","- C75.692 H82.288 Cl0.404 Cu N4.5 O13.692 -","- C151.384 H164.576 Cl0.808 Cu2 N9 O27.384 -","2","1","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","","1.54178","CuKα","","0.0881","0.0779","","","0.2378","0.2497","","","","","","1.029","","","","has coordinates,has disorder","294473","2024-09-05","23:48:51",""
"1572099","13.8537","0.0008","22.6927","0.0015","41.561","0.003","90","","90","","90","","13065.9","1.5","193","","193","","","","","","","","","5","P n n n :2","-P 2ab 2bc","48","","","","- C110 H138.5 Cu2 N4 O31.25 -","- C110 H120.5 Cu2 N4 O22.25 -","- C440 H482 Cu8 N16 O89 -","4","0.5","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","1.34139","GaKα","","0.209","0.138","","","0.3019","0.3428","","","","","","1.023","","","","has coordinates,has disorder","294473","2024-09-05","23:48:51",""
"1572100","13.7491","0.0007","41.664","0.002","22.7927","0.0013","90","","91.86","0.003","90","","13049.7","1.2","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C122 H148 Cu2 N8 O26 -","- C113 H114.999 Cu2 N5 O17 -","- C452 H459.995 Cu8 N20 O68 -","4","1","","Chen, Zhao-Nian; Zhang, Le-Ping; Wu, Huai-Li; Qi, Qiao-Yan; Yan, Meng; Tian, Jia; Yang, Guan-Yu; Li, Zhan-Ting; Yang, Bo","Accurate construction of monolayer, bilayer, sandwich bilayer, four-layer, multi-layer and chiral bilayer 2D pillararene-type supramolecular networks.","Chemical science","2024","15","33","13191","13200","10.1039/d4sc03022b","","x-ray","1.34139","GaKα","","0.1896","0.1124","","","0.2949","0.3365","","","","","","1.08","","","","has coordinates,has disorder","294473","2024-09-05","23:48:51",""
"1572101","6.8833","0.0011","7.8177","0.001","14.677","0.004","90","","99.67","0.02","90","","778.6","0.3","111.6","0.14","111.6","0.14","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H22 N2 -","- C20 H22 N2 -","- C40 H44 N4 -","2","1","","Xie, Kejing; Shen, Zeyuan; Cheng, Peng; Dong, Haoxiang; Yu, Zhi-Xiang; Zu, Liansuo","C-H functionalization of 2-alkyl tryptamines: direct assembly of azepino[4,5-<i>b</i>]indoles and total synthesis of ngouniensines.","Chemical science","2024","15","32","12732","12738","10.1039/d4sc02802c","","x-ray","0.71073","MoKα","","0.0725","0.0573","","","0.1181","0.1337","","","","","","1.059","","","","has coordinates","294468","2024-09-05","23:45:49",""
"1572102","7.1378","0.0008","8.1657","0.0005","11.6045","0.0011","85.389","0.006","79.331","0.009","68.354","0.008","617.75","0.11","116.5","0.3","116.5","0.3","","","","","","","","5","P 1","P 1","1","","","","- C29 H27 Br N2 O3 -","- C29 H27 Br N2 O3 -","- C29 H27 Br N2 O3 -","1","1","","Xie, Kejing; Shen, Zeyuan; Cheng, Peng; Dong, Haoxiang; Yu, Zhi-Xiang; Zu, Liansuo","C-H functionalization of 2-alkyl tryptamines: direct assembly of azepino[4,5-<i>b</i>]indoles and total synthesis of ngouniensines.","Chemical science","2024","15","32","12732","12738","10.1039/d4sc02802c","","x-ray","1.54184","CuKα","","0.039","0.0367","","","0.0888","0.0911","","","","","","1.055","","","","has coordinates","294468","2024-09-05","23:45:49",""
"1572103","12.115","0.003","20.818","0.004","21.153","0.003","90","","90","","90","","5335","1.8","115","0.14","115","0.14","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H32 N2 O2 S -","- C33 H32 N2 O2 S -","- C264 H256 N16 O16 S8 -","8","1","","Xie, Kejing; Shen, Zeyuan; Cheng, Peng; Dong, Haoxiang; Yu, Zhi-Xiang; Zu, Liansuo","C-H functionalization of 2-alkyl tryptamines: direct assembly of azepino[4,5-<i>b</i>]indoles and total synthesis of ngouniensines.","Chemical science","2024","15","32","12732","12738","10.1039/d4sc02802c","","x-ray","0.71073","MoKα","","0.17","0.0783","","","0.1267","0.167","","","","","","1.029","","","","has coordinates","294468","2024-09-05","23:45:49",""
"1572104","11.56222","0.00007","12.72345","0.00007","18.05699","0.0001","90","","93.4414","0.0005","90","","2651.6","0.03","150","2","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H78 Na2 O6 -","- C60 H78 Na2 O6 -","- C120 H156 Na4 O12 -","2","0.5","","Jenek, Niko A.; Helbig, Andreas; Boyt, Stuart M.; Kaur, Mandeep; Sanderson, Hugh J.; Reeksting, Shaun B.; Kociok-Köhn, Gabriele; Helten, Holger; Hintermair, Ulrich","Understanding and tuning the electronic structure of pentalenides.","Chemical science","2024","15","32","12765","12779","10.1039/d3sc04622b","","x-ray","1.54184","CuKα","","0.0448","0.0437","","","0.1145","0.1154","","","","","","1.043","","","","has coordinates,has disorder","294466","2024-09-05","23:45:29",""
"1572105","24.0658","0.0004","5.9795","0.0001","30.3634","0.0004","90","","109.168","0.002","90","","4127.1","0.12","150","2","150","0.1","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","","","- C30 H26 -","- C30 H26 -","- C240 H208 -","8","1","","Jenek, Niko A.; Helbig, Andreas; Boyt, Stuart M.; Kaur, Mandeep; Sanderson, Hugh J.; Reeksting, Shaun B.; Kociok-Köhn, Gabriele; Helten, Holger; Hintermair, Ulrich","Understanding and tuning the electronic structure of pentalenides.","Chemical science","2024","15","32","12765","12779","10.1039/d3sc04622b","","x-ray","1.54184","CuKα","","0.0484","0.0414","","","0.0911","0.0946","","","","","","1.088","","","","has coordinates","294466","2024-09-05","23:45:29",""
"1572106","9.0055","0.0002","8.75137","0.00016","12.0243","0.0003","90","","97.095","0.002","90","","940.38","0.04","150","2","150","0.1","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C27 H22 -","- C27 H22 -","- C54 H44 -","2","1","","Jenek, Niko A.; Helbig, Andreas; Boyt, Stuart M.; Kaur, Mandeep; Sanderson, Hugh J.; Reeksting, Shaun B.; Kociok-Köhn, Gabriele; Helten, Holger; Hintermair, Ulrich","Understanding and tuning the electronic structure of pentalenides.","Chemical science","2024","15","32","12765","12779","10.1039/d3sc04622b","","x-ray","1.54184","CuKα","","0.0417","0.0375","","","0.1101","0.1109","","","","","","1.416","","","","has coordinates","294466","2024-09-05","23:45:29",""
"1572107","10.36315","0.00007","23.53932","0.00017","18.81353","0.00015","90","","100.857","0.0007","90","","4507.26","0.06","150","2","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H58 O4 Rh2 -","- C56 H58 O4 Rh2 -","- C224 H232 O16 Rh8 -","4","1","","Jenek, Niko A.; Helbig, Andreas; Boyt, Stuart M.; Kaur, Mandeep; Sanderson, Hugh J.; Reeksting, Shaun B.; Kociok-Köhn, Gabriele; Helten, Holger; Hintermair, Ulrich","Understanding and tuning the electronic structure of pentalenides.","Chemical science","2024","15","32","12765","12779","10.1039/d3sc04622b","","x-ray","1.54184","CuKα","","0.0335","0.0306","","","0.0736","0.0751","","","","","","1.105","","","","has coordinates,has disorder","294466","2024-09-05","23:45:29",""
"1572108","11.0112","0.0001","8.7626","0.0001","19.1326","0.0002","90","","91.573","0.001","90","","1845.35","0.03","150","2","150","0.1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 -","- C27 H22 -","- C108 H88 -","4","1","","Jenek, Niko A.; Helbig, Andreas; Boyt, Stuart M.; Kaur, Mandeep; Sanderson, Hugh J.; Reeksting, Shaun B.; Kociok-Köhn, Gabriele; Helten, Holger; Hintermair, Ulrich","Understanding and tuning the electronic structure of pentalenides.","Chemical science","2024","15","32","12765","12779","10.1039/d3sc04622b","","x-ray","1.54184","CuKα","","0.0391","0.036","","","0.0874","0.0897","","","","","","1.053","","","","has coordinates","294466","2024-09-05","23:45:29",""
"1572109","8.9968","0.0003","11.2118","0.0004","11.8","0.0005","97.93","0.001","103.022","0.001","108.05","0.001","1074.49","0.07","109","","109","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H33 N2 P -","- C22 H33 N2 P -","- C44 H66 N4 P2 -","2","1","","Minko, Yury; Fetrow, Taylor V.; Sharma, Shikha; Cashman, Brenna K.; Tondreau, Aaron M.","Flexible interactions of the rare-earth elements Y, La, and Lu with phosphorus in metallacyclohexane rings.","Chemical science","2024","15","30","12138","12147","10.1039/d4sc02077d","","","0.71073","MoKα","","0.0402","0.0374","","","0.1031","0.1052","","","","","","1.061","","","","has coordinates","293775","2024-08-05","18:11:57",""
"1572110","9.9418","0.0008","16.3863","0.001","13.0368","0.0009","90","","90","","90","","2123.8","0.3","108","","108","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C23 H33 N2 P -","- C23 H33 N2 P -","- C92 H132 N8 P4 -","4","0.5","","Minko, Yury; Fetrow, Taylor V.; Sharma, Shikha; Cashman, Brenna K.; Tondreau, Aaron M.","Flexible interactions of the rare-earth elements Y, La, and Lu with phosphorus in metallacyclohexane rings.","Chemical science","2024","15","30","12138","12147","10.1039/d4sc02077d","","","0.71073","MoKα","","0.0622","0.0521","","","0.1163","0.1209","","","","","","1.08","","","","has coordinates,has disorder","293775","2024-08-05","18:11:58",""
"1572111","13.453","0.009","14.372","0.015","19.53","0.03","90","","90","","90","","3776","7","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H55 I N2 O3 P Y -","- C34 H55 I N2 O3 P Y -","- C136 H220 I4 N8 O12 P4 Y4 -","4","1","","Minko, Yury; Fetrow, Taylor V.; Sharma, Shikha; Cashman, Brenna K.; Tondreau, Aaron M.","Flexible interactions of the rare-earth elements Y, La, and Lu with phosphorus in metallacyclohexane rings.","Chemical science","2024","15","30","12138","12147","10.1039/d4sc02077d","","","0.71073","MoKα","","0.0407","0.034","","","0.0761","0.078","","","","","","1.052","","","","has coordinates","293775","2024-08-05","18:11:58",""
"1572112","13.4115","0.0009","14.1878","0.001","19.0912","0.0014","90","","90","","90","","3632.7","0.4","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H55 I Lu N2 O3 P -","- C34 H55 I Lu N2 O3 P -","- C136 H220 I4 Lu4 N8 O12 P4 -","4","1","","Minko, Yury; Fetrow, Taylor V.; Sharma, Shikha; Cashman, Brenna K.; Tondreau, Aaron M.","Flexible interactions of the rare-earth elements Y, La, and Lu with phosphorus in metallacyclohexane rings.","Chemical science","2024","15","30","12138","12147","10.1039/d4sc02077d","","","0.71073","MoKα","","0.0232","0.0215","","","0.0443","0.0447","","","","","","1.126","","","","has coordinates","293775","2024-08-05","18:11:58",""
"1572113","10.0823","0.0013","28.934","0.004","15.635","0.002","90","","99.158","0.004","90","","4502.9","1","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H70 N2 O2 P Y -","- C47 H70 N2 O2 P Y -","- C188 H280 N8 O8 P4 Y4 -","4","1","","Minko, Yury; Fetrow, Taylor V.; Sharma, Shikha; Cashman, Brenna K.; Tondreau, Aaron M.","Flexible interactions of the rare-earth elements Y, La, and Lu with phosphorus in metallacyclohexane rings.","Chemical science","2024","15","30","12138","12147","10.1039/d4sc02077d","","","0.71073","MoKα","","0.0608","0.0428","","","0.1043","0.1109","","","","","","1.046","","","","has coordinates","293775","2024-08-05","18:11:58",""
"1572114","13.352","0.002","14.546","0.003","19.171","0.004","90","","90","","90","","3723.4","1.2","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H55 I La N2 O3 P -","- C34 H55 I La N2 O3 P -","- C136 H220 I4 La4 N8 O12 P4 -","4","1","","Minko, Yury; Fetrow, Taylor V.; Sharma, Shikha; Cashman, Brenna K.; Tondreau, Aaron M.","Flexible interactions of the rare-earth elements Y, La, and Lu with phosphorus in metallacyclohexane rings.","Chemical science","2024","15","30","12138","12147","10.1039/d4sc02077d","","","0.71073","MoKα","","0.0264","0.0262","","","0.0617","0.0619","","","","","","1.06","","","","has coordinates","293775","2024-08-05","18:11:58",""
"1572115","21.1393","0.0006","21.1393","0.0006","10.827","0.0004","90","","90","","90","","4838.3","0.3","100","","100","","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C51 H69 La N2 O2 P -","- C51 H69 La N2 O2 P -","- C204 H276 La4 N8 O8 P4 -","4","0.5","","Minko, Yury; Fetrow, Taylor V.; Sharma, Shikha; Cashman, Brenna K.; Tondreau, Aaron M.","Flexible interactions of the rare-earth elements Y, La, and Lu with phosphorus in metallacyclohexane rings.","Chemical science","2024","15","30","12138","12147","10.1039/d4sc02077d","","","0.71073","MoKα","","0.0372","0.0333","","","0.0867","0.088","","","","","","1.062","","","","has coordinates,has disorder","293775","2024-08-05","18:11:58",""
"1572116","10.0585","0.0004","28.9336","0.001","15.5726","0.0006","90","","99.117","0.002","90","","4474.8","0.3","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H70 Lu N2 O2 P -","- C47 H70 Lu N2 O2 P -","- C188 H280 Lu4 N8 O8 P4 -","4","1","","Minko, Yury; Fetrow, Taylor V.; Sharma, Shikha; Cashman, Brenna K.; Tondreau, Aaron M.","Flexible interactions of the rare-earth elements Y, La, and Lu with phosphorus in metallacyclohexane rings.","Chemical science","2024","15","30","12138","12147","10.1039/d4sc02077d","","","0.71073","MoKα","","0.0397","0.035","","","0.0736","0.0747","","","","","","1.237","","","","has coordinates","293775","2024-08-05","18:11:58",""
"1572117","12.7857","0.0014","18.839","0.002","19.534","0.002","98.801","0.003","105.57","0.003","99.416","0.003","4374.4","0.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C92 H139 N4 O3.5 P2 Y2 -","- C92 H139 N4 O3.5 P2 Y2 -","- C184 H278 N8 O7 P4 Y4 -","2","1","","Minko, Yury; Fetrow, Taylor V.; Sharma, Shikha; Cashman, Brenna K.; Tondreau, Aaron M.","Flexible interactions of the rare-earth elements Y, La, and Lu with phosphorus in metallacyclohexane rings.","Chemical science","2024","15","30","12138","12147","10.1039/d4sc02077d","","","0.71073","MoKα","","0.0342","0.0279","","","0.0659","0.0683","","","","","","1.023","","","","has coordinates,has disorder","293775","2024-08-05","18:11:58",""
"1572118","11.0508","0.0008","16.0816","0.0011","28.825","0.002","90","","93.905","0.002","90","","5110.7","0.6","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C65 H59 B N2 -","- C65 H59 B N2 -","- C260 H236 B4 N8 -","4","1","","Cheng, Hu; Lan, Jingbo; Yang, Yudong; Bin, Zhengyang","Spirobifluorene-fused strategy enables pure-green multiple resonance emitters with low efficiency roll-off.","Materials horizons","2024","11","19","4674","4680","10.1039/d4mh00634h","","","0.71073","MoKα","","0.1033","0.0527","","","0.109","0.1371","","","","","","1.0913","","","","has coordinates,has disorder","295350","2024-10-06","09:32:11",""
"1572119","9.681","0.002","18.411","0.004","13.163","0.003","90","","90","","90","","2346.1","0.9","223","2","223.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Poly[[μ~3~-2-(benzotriazol-1-yl)acetato-κ^3^<i>O</i>:<i>O</i>':<i>N</i>^3^]chlorido(ethanol-κ<i>O</i>)cobalt(II)]","","- C10 H12 Cl Co N3 O3 -","- C10 H12 Cl Co N3 O3 -","- C80 H96 Cl8 Co8 N24 O24 -","8","1","HB4477","Zheng, Yun-Yun; Su, De-Sen; Yao, Qing-Hua; Huang, Min-Min","Poly[[μ3-2-(benzotriazol-1-yl)acetato-κ3 O:O′:N 3]chlorido(ethanol-κO)cobalt(II)]","IUCrData","2024","9","7","","","10.1107/S2414314624006308","","","0.71073","MoKα","","0.0564","0.0447","","","0.1156","0.1201","","","","","","1.089","","","","has coordinates,has disorder","293330","2024-07-09","02:14:25",""
"1572120","10.29909","0.00012","10.79136","0.00013","27.3078","0.0003","90","","90","","90","","3035.02","0.06","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 O4 -","- C18 H24 O4 -","- C144 H192 O32 -","8","2","","Kim, Ryungwoo; Wu, Yanting; Tong, Rongbiao","Asymmetric total syntheses of sarglamides A, C, D, E, and F.","Chemical science","2024","15","32","12856","12860","10.1039/d4sc03553d","","x-ray","1.54184","CuKα","","0.0389","0.0344","","","0.0834","0.0869","","","","","","1.043","","","","has coordinates","294467","2024-09-05","23:45:39",""
"1572121","19.3307","0.0008","12.1908","0.0005","9.1228","0.0003","90","","90","","90","","2149.85","0.14","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C17 H35 Fe N3 O S2 -","- C17 H35 Fe N3 O S2 -","- C68 H140 Fe4 N12 O4 S8 -","4","1","","Lundahl, Maike N.; Greiner, Maria B.; Piquette, Marc C.; Gannon, Paige M.; Kaminsky, Werner; Kovacs, Julie A.","Exploring the influence of H-bonding and ligand constraints on thiolate ligated non-heme iron mediated dioxygen activation.","Chemical science","2024","15","32","12710","12720","10.1039/d4sc02787f","","x-ray","0.71073","MoKα","","0.0365","0.0278","","","0.0541","0.0574","","","","","","1.037","","","","has coordinates","294464","2024-09-05","23:45:10",""
"1572122","13.1598","0.0006","9.7142","0.0004","15.3369","0.0007","90","","115.257","0.001","90","","1773.19","0.14","248","2","248","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dicarbonyl-1κ^2^<i>C</i>-μ-chlorido-2:3κ^2^<i>Cl</i>:<i>Cl</i>-pentachlorido-2κ^2^<i>Cl</i>,3κ^3^<i>Cl</i>-[1(η^6^)-toluene]digallium(III)ruthenium(I)(<i>Ru</i>—<i>Ga</i>)","","- C9 H8 Cl6 Ga2 O2 Ru -","- C9 H8 Cl6 Ga2 O2 Ru -","- C36 H32 Cl24 Ga8 O8 Ru4 -","4","1","BT4152","Smith, Danielle; Harakas, George N.","Dicarbonyl-1κ2 C-μ-chlorido-2:3κ2 Cl:Cl-pentachlorido-2κ2 Cl,3κ3 Cl-[1(η6)-toluene]digallium(III)ruthenium(I)(Ru—Ga)","IUCrData","2024","9","7","","","10.1107/S2414314624006576","","","0.71073","MoKa","","0.0182","0.0163","","","0.0405","0.0411","","","","","","1.09","","","","has coordinates","293352","2024-07-10","02:01:27",""
"1572123","12.3091","0.0002","5.0734","0.0001","41.7053","0.0004","90","","90","","90","","2604.45","0.07","173","0.1","173","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H12 F3 N O2 -","- C15 H12 F3 N O2 -","- C120 H96 F24 N8 O16 -","8","2","","Seki, Tomohiro; Kobayashi, Shiori; Ishikawa, Rintaro; Yano, Keigo; Matsuo, Takumi; Hayashi, Shotaro","Preparation of intrinsically fragile bent crystals.","Chemical science","2024","15","31","12258","12263","10.1039/d4sc02918f","","x-ray","1.54184","CuKα","","0.0422","0.0406","","","0.1075","0.1087","","","","","","1.072","","","","has coordinates","294486","2024-09-05","23:56:04",""
"1572124","6.6355","0.0005","7.3234","0.0005","15.7183","0.001","82.822","0.005","80.835","0.006","65.136","0.007","682.74","0.09","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 F3 N O2 -","- C15 H12 F3 N O2 -","- C30 H24 F6 N2 O4 -","2","1","","Seki, Tomohiro; Kobayashi, Shiori; Ishikawa, Rintaro; Yano, Keigo; Matsuo, Takumi; Hayashi, Shotaro","Preparation of intrinsically fragile bent crystals.","Chemical science","2024","15","31","12258","12263","10.1039/d4sc02918f","","x-ray","1.54184","CuKα","","0.0666","0.0614","","","0.1776","0.1873","","","","","","1.084","","","","has coordinates","294486","2024-09-05","23:56:04",""
"1572125","4.9586","0.0002","11.2709","0.0004","24.119","0.0008","90","","95.674","0.003","90","","1341.36","0.08","173","0.1","173","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 F3 N O2 -","- C15 H12 F3 N O2 -","- C60 H48 F12 N4 O8 -","4","1","","Seki, Tomohiro; Kobayashi, Shiori; Ishikawa, Rintaro; Yano, Keigo; Matsuo, Takumi; Hayashi, Shotaro","Preparation of intrinsically fragile bent crystals.","Chemical science","2024","15","31","12258","12263","10.1039/d4sc02918f","","x-ray","1.54184","CuKα","","0.0547","0.0482","","","0.1306","0.1359","","","","","","1.067","","","","has coordinates","294486","2024-09-05","23:56:04",""
"1572126","7.2201","0.0002","18.5131","0.0007","31.5422","0.0009","90","","90.9593","0.0017","90","","4215.5","0.2","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C104 H83 F12 N5 O P2 -","- C104 H83 F12 N5 O P2 -","- C208 H166 F24 N10 O2 P4 -","2","0.5","","Meador, William E.; Saucier, Matthew A.; Tucker, Max R.; Kruse, Nicholas A.; Mobley, Alexander J.; Brower, Connor R.; Parkin, Sean R.; Clark, Kensha M.; Hammer, Nathan I.; Tschumper, Gregory S.; Delcamp, Jared H.","Extended shortwave infrared absorbing antiaromatic fluorenium-indolizine chromophores.","Chemical science","2024","15","31","12349","12360","10.1039/d4sc00733f","","","1.54178","CuKα","","0.1081","0.0756","","","0.2298","0.2614","","","","","","1.053","","","","has coordinates,has disorder","294482","2024-09-05","23:55:01",""
"1572127","11.8867","0.00014","13.06844","0.00017","16.4807","0.0002","90","","99.3973","0.0011","90","","2525.77","0.05","170","0.4","170","0.4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H54 Cu6 N12 S6 -","- C42 H54 Cu6 N12 S6 -","- C84 H108 Cu12 N24 S12 -","2","0.5","","Shehzad, Aamir; Cui, Chaonan; Cheng, Ran; Luo, Zhixun","Electrocatalytic nitrogen reduction to ammonia by atomically precise Cu<sub>6</sub> nanoclusters supported on graphene oxide.","Nanoscale","2024","16","30","14441","14447","10.1039/d4nr01984a","","x-ray","1.54184","CuKα","","0.0364","0.0322","","","0.0852","0.0885","","","","","","1.053","","","","has coordinates","294595","2024-09-06","01:34:26",""
"1572128","15.9086","0.0001","7.8088","0.0001","19.5342","0.0002","90","","106.157","0.001","90","","2330.83","0.04","92.95","","92.95","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[1-(Anthracen-9-ylmethyl)-1,4,7,10-tetraazacyclododecane]chloridozinc(II) nitrate","","- C23 H30 Cl N5 O3 Zn -","- C23 H30 Cl N5 O3 Zn -","- C92 H120 Cl4 N20 O12 Zn4 -","4","1","WM4217","Ichimaru, Yoshimi; Sugiura, Kirara; Kato, Koichi; Kondo, Yuki; Kurihara, Masaaki; Jin, Wanchun; Imai, Masanori; Kurosaki, Hiromasa","[1-(Anthracen-9-ylmethyl)-1,4,7,10-tetraazacyclododecane]chloridozinc(II) nitrate","IUCrData","2024","9","7","","","10.1107/S2414314624006655","","","1.54184","CuKα","","0.0427","0.0414","","","0.1093","0.1101","","","","","","1.05","","","","has coordinates","293408","2024-07-13","02:09:48",""
"1572129","22.5897","0.0014","7.51","0.0004","16.3743","0.001","90","","94.716","0.002","90","","2768.5","0.3","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(ethylenediammonium) μ-ethylenediaminetetraacetato-1κ^3^<i>O</i>,<i>N</i>,<i>O</i>':2κ^3^<i>O</i>'',<i>N</i>',<i>O</i>'''-bis[trioxidomolybdate(VI)] tetrahydrate","","- C14 H40 Mo2 N6 O18 -","- C14 H40 Mo2 N6 O18 -","- C56 H160 Mo8 N24 O72 -","4","0.5","BH4085","Yaffa, Lamine; Seye, Dame; Kama, Antoine Blaise; Toure, Assane; Diop, Cheikh Abdoul Khadir","Bis(ethylenediammonium) μ-ethylenediaminetetraacetato-1κ3 O,N,O′:2κ3 O′′,N′,O′′′-bis[trioxidomolybdate(VI)] tetrahydrate","IUCrData","2024","9","7","","","10.1107/S2414314624006679","","","0.71073","MoKα","","0.0254","0.0223","","","0.0575","0.0597","","","","","","1.057","","","","has coordinates","293409","2024-07-13","02:10:08",""
"1572130","10.763","0.0016","15.914","0.002","18.23","0.003","90","","95.148","0.005","90","","3109.9","0.8","288","2","288","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Pu(Kläui)Cl3","PuCl3{CoCp[OP(OEt)2]3}","","- C17 H35 Cl3 Co O9 P3 Pu -","- C17 H35 Cl3 Co O9 P3 Pu -","- C68 H140 Cl12 Co4 O36 P12 Pu4 -","4","1","","Shaw, Thomas E.; Jones, Zachary R.; Adelman, Sara L.; Anderson, Nickolas H.; Bowes, Eric G.; Bauer, Eric D.; Dan, David; Klouda, Jan; Knope, Karah E.; Kozimor, Stosh A.; MacInnes, Molly M.; Mocko, Veronika; Rocha, Francisca R.; Root, Harrison D.; Stein, Benjamin W.; Thompson, Joe D.; Wacker, Jennifer N.","PuCl<sub>3</sub>{CoCp[OP(OEt)<sub>2</sub>]<sub>3</sub>}: transuranic elements entering the field of heterometallic molecular chemistry.","Chemical science","2024","15","32","12754","12764","10.1039/d4sc01767f","","","0.71073","MoKα","","0.0503","0.0385","","","0.0792","0.0837","","","","","","1.084","","","","has coordinates,has disorder","294463","2024-09-05","23:45:01",""
"1572131","23.9232","0.0003","26.5335","0.0004","26.9468","0.0004","107.873","0.001","94.163","0.001","99.072","0.001","15942","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C246 H303 Au37 P2 S21 -","- C246 H303 Au37 P2 S21 -","- C492 H606 Au74 P4 S42 -","2","1","","Tan, Yesen; Li, Kang; Xu, Jingjing; Li, Qinzhen; Yang, Sha; Chai, Jinsong; Pei, Yong; Jia, Dianzeng; Zhu, Manzhou","A single-gold-atom addition regulates sharp redshift in the fluorescence of atomically precise nanoclusters.","Nanoscale","2024","16","33","15663","15669","10.1039/d4nr01963f","","","1.54186","CuKα","","0.0778","0.0538","","","0.137","0.1448","","","","","","0.9","","","","has coordinates","294594","2024-09-06","01:34:07",""
"1572132","8.33375","0.00017","16.2999","0.0003","15.9774","0.0003","90","","96.7823","0.0018","90","","2155.17","0.07","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","MeBIMZnOAc","","- C20 H28 N4 O7 Zn -","- C20 H28 N4 O7 Zn -","- C80 H112 N16 O28 Zn4 -","4","0.5","","Chen, Tianhong; Ma, Yu-Juan; Xiao, Guowei; Fang, Xiaoyu; Liu, Yumin; Li, Kangjing; Yan, Dongpeng","The trade-off anionic modulation in metal-organic glasses showing color-tunable persistent luminescence.","Materials horizons","2024","11","20","4951","4960","10.1039/d4mh00771a","","","1.54184","CuKα","","0.0391","0.0388","","","0.1027","0.1029","","","","","","1.062","","","","has coordinates","296723","2024-12-06","20:58:37",""
"1572133","12.5588","0.0002","9.787","0.0001","14.6063","0.0002","90","","111.748","0.002","90","","1667.52","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","MeBIMZnCl","","- C16 H14 Cl2 N4 Zn -","- C16 H16 Cl2 N4 Zn -","- C64 H64 Cl8 N16 Zn4 -","4","1","","Chen, Tianhong; Ma, Yu-Juan; Xiao, Guowei; Fang, Xiaoyu; Liu, Yumin; Li, Kangjing; Yan, Dongpeng","The trade-off anionic modulation in metal-organic glasses showing color-tunable persistent luminescence.","Materials horizons","2024","11","20","4951","4960","10.1039/d4mh00771a","","","1.54184","CuKα","","0.0283","0.0276","","","0.0737","0.074","","","","","","1.079","","","","has coordinates","296723","2024-12-06","20:58:37",""
"1572134","12.6057","0.0002","9.9393","0.0001","14.6509","0.0002","90","","110.105","0.001","90","","1723.78","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","MeBIMZnBr","","- C16 H14 Br2 N4 Zn -","- C16 H16 Br2 N4 Zn -","- C64 H64 Br8 N16 Zn4 -","4","1","","Chen, Tianhong; Ma, Yu-Juan; Xiao, Guowei; Fang, Xiaoyu; Liu, Yumin; Li, Kangjing; Yan, Dongpeng","The trade-off anionic modulation in metal-organic glasses showing color-tunable persistent luminescence.","Materials horizons","2024","11","20","4951","4960","10.1039/d4mh00771a","","","1.54184","CuKα","","0.0248","0.0241","","","0.0605","0.061","","","","","","1.103","","","","has coordinates","296723","2024-12-06","20:58:37",""
"1572135","10.2505","0.0004","18.6165","0.0009","10.6345","0.0005","90","","96.388","0.004","90","","2016.77","0.16","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H42 Cl2 N2 O2 Pd -","- C44 H42 Cl2 N2 O2 Pd -","- C88 H84 Cl4 N4 O4 Pd2 -","2","1","BX4025","Anzaldo, Bertin; Gutiérrez Pérez, René; Hernández Téllez, Guadalupe; Mendoza, Ángel; Moreno Morales, Gloria E.","Bis{(S)-(−)-N-[(2-biphenyl)methylidene]-1-(4-methoxyphenyl)ethylamine-κN}dichloridopalladium(II)","IUCrData","2024","9","7","","","10.1107/S2414314624005558","","","0.71073","MoKα","","0.081","0.0405","","","0.0643","0.0766","","","","","","1.021","","","","has coordinates","293436","2024-07-17","01:57:30",""
"1572136","7.6006","0.0002","22.3585","0.0004","20.9221","0.0004","90","","90.948","0.002","90","","3554.97","0.13","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 N10 Ni O4 -","- C40 H30 N10 Ni O4 -","- C160 H120 N40 Ni4 O16 -","4","1","","Sakurai, Takahiro; Tanabe, Tappei; Iguchi, Hiroaki; Li, Zhuowei; Matsuda, Wakana; Tsutsui, Yusuke; Seki, Shu; Matsuda, Ryotaro; Shinokubo, Hiroshi","An n-type semiconducting diazaporphyrin-based hydrogen-bonded organic framework.","Chemical science","2024","15","32","12922","12927","10.1039/d4sc03455d","","x-ray","0.71073","MoKα","","0.1202","0.0741","","","0.1546","0.1761","","","","","","1.073","","","","has coordinates","294461","2024-09-05","23:44:39",""
"1572137","17.8348","0.0014","22.4557","0.0019","25.22","0.002","105.856","0.003","107.732","0.002","105.18","0.002","8573.1","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C203 H178 F24 N12 O5 P4 Rh4 -","- C203 H178 F24 N12 O5 P4 Rh4 -","- C406 H356 F48 N24 O10 P8 Rh8 -","2","1","","Ibáñez, Susana; Mejuto, Carmen; Cerón, Katherin; Sanz Miguel, Pablo J.; Peris, Eduardo","A corannulene-based metallobox for the encapsulation of fullerenes.","Chemical science","2024","15","33","13415","13420","10.1039/d4sc03661a","","","0.71073","MoKα","","0.1806","0.1129","","","0.3092","0.3582","","","","","","1.02","","","","has coordinates,has disorder","294469","2024-09-05","23:46:19",""
"1572138","11.287","0.006","12.693","0.006","18.454","0.01","101.306","0.014","101.726","0.015","97.471","0.014","2498","2","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H52 B N2 S -","- C60 H52 B N2 S -","- C120 H104 B2 N4 S2 -","2","1","","Zhong, Rui; Wang, Mengyu; Wang, Xingdong; Wang, Shumeng; Shao, Shiyang; Wang, Lixiang","10-Dibenzothiophenyl-9,9-diphenylacridane-based multiple resonance emitters for high-efficiency narrowband green OLEDs with CIE <i>y</i> > 0.7 at high doping concentrations.","Chemical science","2024","15","33","13290","13298","10.1039/d4sc03705g","","","0.71073","MoKα","","0.1857","0.0976","","","0.2474","0.302","","","","","","1.066","","","","has coordinates","294474","2024-09-05","23:49:11",""
"1572139","5.9905","0.0004","8.0684","0.0005","16.5496","0.0009","96.029","0.005","98.627","0.005","92.934","0.005","784.65","0.08","453","2","453","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C38 H38 N2 O4 -","2","2","","Zhang, Hao; Wen, Wei; Wang, Yu-Yang; Lu, Ze-Xi; Liu, Jin-Long; Wu, Zhu-Lian; Cai, Tian; Guo, Qi-Xiang","Asymmetric bifunctionalization of allenes with aryl iodides and amino acids enabled by chiral aldehyde/palladium combined catalysis.","Chemical science","2024","15","32","12983","12988","10.1039/d4sc03398a","","","1.54184","CuKα","","0.0861","0.0835","","","0.2273","0.2314","","","","","","1.07","","","","has coordinates","294465","2024-09-05","23:45:16",""
"1572140","14.2638","0.001","17.9124","0.0012","14.1231","0.001","90","","105.354","0.008","90","","3479.6","0.4","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H34 N2 S -","- C48 H34 N2 S -","- C192 H136 N8 S4 -","4","0.5","","Gong, Jianye; Wang, Xiaopeng; Zhang, Weijing; Wu, Yifan; Li, Kai; Sha, Renmanduhu; Liu, Lingxiu; Li, Chunbin; Feng, Lina; Jiang, Guoyu; Wang, Jianguo; Tang, Ben Zhong","Sulfur oxidation states manipulate excited state electronic configurations for constructing highly efficient organic type I photosensitizers.","Chemical science","2024","15","32","13001","13010","10.1039/d4sc03039g","","x-ray","0.71073","MoKα","","0.0548","0.0421","","","0.0945","0.1031","","","","","","1.027","","","","has coordinates","294462","2024-09-05","23:44:50",""
"1572141","14.6095","0.0011","17.9909","0.0012","14.0147","0.001","90","","104.842","0.007","90","","3560.7","0.5","100","0.2","100","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H34 N2 O2 S -","- C48 H34 N2 O2 S -","- C192 H136 N8 O8 S4 -","4","0.5","","Gong, Jianye; Wang, Xiaopeng; Zhang, Weijing; Wu, Yifan; Li, Kai; Sha, Renmanduhu; Liu, Lingxiu; Li, Chunbin; Feng, Lina; Jiang, Guoyu; Wang, Jianguo; Tang, Ben Zhong","Sulfur oxidation states manipulate excited state electronic configurations for constructing highly efficient organic type I photosensitizers.","Chemical science","2024","15","32","13001","13010","10.1039/d4sc03039g","","x-ray","0.71073","MoKα","","0.0642","0.0508","","","0.1224","0.1338","","","","","","1.062","","","","has coordinates","294462","2024-09-05","23:44:50",""
"1572142","14.3196","0.0016","17.8821","0.0017","14.0725","0.0016","90","","104.757","0.012","90","","3484.6","0.7","149.99","0.1","149.99","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H34 N2 O S -","- C48 H34 N2 O S -","- C192 H136 N8 O4 S4 -","4","1","","Gong, Jianye; Wang, Xiaopeng; Zhang, Weijing; Wu, Yifan; Li, Kai; Sha, Renmanduhu; Liu, Lingxiu; Li, Chunbin; Feng, Lina; Jiang, Guoyu; Wang, Jianguo; Tang, Ben Zhong","Sulfur oxidation states manipulate excited state electronic configurations for constructing highly efficient organic type I photosensitizers.","Chemical science","2024","15","32","13001","13010","10.1039/d4sc03039g","","x-ray","0.71073","MoKα","","0.1179","0.0708","","","0.1497","0.1829","","","","","","1.045","","","","has coordinates","294462","2024-09-05","23:44:50",""
"1572143","17.37","0.004","18.92","0.004","33.75","0.007","90","","90","","90","","11092","4","150","2","150","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C50 H78 Cl2 Ge N6 O1.5 P2 -","- C50 H77.9985 Cl2 Ge N6 O1.5 P2 -","- C400 H623.988 Cl16 Ge8 N48 O12 P16 -","8","1","","Kreimer, Lisa N.; Hadlington, Terrance J.","Macrocyclic bis-diphosphenes demonstrating bimetallic <i>exo</i>- and <i>endo</i>-cyclic binding modes.","Chemical science","2024","15","35","14154","14160","10.1039/d4sc03516j","","","0.71073","MoKα","","0.1609","0.0792","","","0.2137","0.2622","","","","","","1.002","","","","has coordinates,has disorder","295190","2024-10-06","07:06:40",""
"1572144","10.76","0.002","12.31","0.003","15.63","0.003","97.5","0.03","99.4","0.03","96","0.03","2008.2","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H120 N8 Ni2 O2 P4 -","- C82 H120 N8 Ni2 O2 P4 -","- C82 H120 N8 Ni2 O2 P4 -","1","0.5","","Kreimer, Lisa N.; Hadlington, Terrance J.","Macrocyclic bis-diphosphenes demonstrating bimetallic <i>exo</i>- and <i>endo</i>-cyclic binding modes.","Chemical science","2024","15","35","14154","14160","10.1039/d4sc03516j","","","0.71073","MoKα","","0.0684","0.0375","","","0.0739","0.0792","","","","","","0.877","","","","has coordinates,has disorder","295190","2024-10-06","07:06:40",""
"1572145","9.912","0.002","14.075","0.003","15.094","0.003","66.91","0.03","70.89","0.03","76.79","0.03","1818.2","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H108 N4 Ni2 O4 P4 -","- C72 H108 N4 Ni2 O4 P4 -","- C72 H108 N4 Ni2 O4 P4 -","1","0.5","","Kreimer, Lisa N.; Hadlington, Terrance J.","Macrocyclic bis-diphosphenes demonstrating bimetallic <i>exo</i>- and <i>endo</i>-cyclic binding modes.","Chemical science","2024","15","35","14154","14160","10.1039/d4sc03516j","","","0.71073","MoKα","","0.1592","0.0644","","","0.1155","0.1483","","","","","","0.964","","","","has coordinates","295190","2024-10-06","07:06:40",""
"1572146","15.304","0.003","34.054","0.007","9.7484","0.0019","90","","97.35","0.03","90","","5038.8","1.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22.5 H34 N2 Ni0.5 O P -","- C22.5 H34 N2 Ni0.5 O P -","- C180 H272 N16 Ni4 O8 P8 -","8","2","","Kreimer, Lisa N.; Hadlington, Terrance J.","Macrocyclic bis-diphosphenes demonstrating bimetallic <i>exo</i>- and <i>endo</i>-cyclic binding modes.","Chemical science","2024","15","35","14154","14160","10.1039/d4sc03516j","","","0.71073","MoKα","","0.2087","0.0772","","","0.1869","0.2419","","","","","","0.894","","","","has coordinates","295190","2024-10-06","07:06:40",""
"1572147","9.89","0.002","21.59","0.004","15.52","0.003","90","","93.1","0.03","90","","3309.1","1.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H88 N8 Ni2 O2 P4 -","- C66 H88 N8 Ni2 O2 P4 -","- C132 H176 N16 Ni4 O4 P8 -","2","0.5","","Kreimer, Lisa N.; Hadlington, Terrance J.","Macrocyclic bis-diphosphenes demonstrating bimetallic <i>exo</i>- and <i>endo</i>-cyclic binding modes.","Chemical science","2024","15","35","14154","14160","10.1039/d4sc03516j","","","0.71073","MoKα","","0.1306","0.0518","","","0.0841","0.102","","","","","","0.923","","","","has coordinates","295190","2024-10-06","07:06:40",""
"1572148","35.655","0.005","35.655","0.005","15.13","0.003","90","","90","","90","","19234","5","150","2","150","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C82 H120 Cl2 Cu2 N8 Ni2 O2 P4 -","- C82 H120 Cl2 Cu2 N8 Ni2 O2 P4 -","- C656 H960 Cl16 Cu16 N64 Ni16 O16 P32 -","8","0.5","","Kreimer, Lisa N.; Hadlington, Terrance J.","Macrocyclic bis-diphosphenes demonstrating bimetallic <i>exo</i>- and <i>endo</i>-cyclic binding modes.","Chemical science","2024","15","35","14154","14160","10.1039/d4sc03516j","","","0.71073","MoKα","","0.1511","0.0635","","","0.1364","0.1618","","","","","","0.821","","","","has coordinates,has disorder","295190","2024-10-06","07:06:40",""
"1572149","10.84","0.002","23.82","0.005","26.54","0.005","90","","100.2","0.03","90","","6745","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 N4 O P2 -","- C30 H38 N4 O P2 -","- C240 H304 N32 O8 P16 -","8","2","","Kreimer, Lisa N.; Hadlington, Terrance J.","Macrocyclic bis-diphosphenes demonstrating bimetallic <i>exo</i>- and <i>endo</i>-cyclic binding modes.","Chemical science","2024","15","35","14154","14160","10.1039/d4sc03516j","","","0.71073","MoKα","","0.1688","0.0764","","","0.1693","0.1929","","","","","","0.862","","","","has coordinates","295190","2024-10-06","07:06:40",""
"1572150","18.707","0.004","15.187","0.003","31.54","0.006","90","","99.45","0.03","90","","8839","3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H60 N4 O P2 -","- C41 H60 N4 O P2 -","- C328 H480 N32 O8 P16 -","8","2","","Kreimer, Lisa N.; Hadlington, Terrance J.","Macrocyclic bis-diphosphenes demonstrating bimetallic <i>exo</i>- and <i>endo</i>-cyclic binding modes.","Chemical science","2024","15","35","14154","14160","10.1039/d4sc03516j","","","0.71073","MoKα","","0.1088","0.0561","","","0.1337","0.1496","","","","","","0.911","","","","has coordinates","295190","2024-10-06","07:06:40",""
"1572151","21.3809","0.0004","11.8823","0.0002","26.6796","0.0005","90","","100.995","0.002","90","","6653.6","0.2","150","0.2","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H68 I3 N6 Na O9 -","- C58 H68 I3 N6 Na O9 -","- C232 H272 I12 N24 Na4 O36 -","4","1","","Tay, Hui Min; Docker, Andrew; Hua, Carol; Beer, Paul D.","Selective sodium halide over potassium halide binding and extraction by a heteroditopic halogen bonding [2]catenane.","Chemical science","2024","15","32","13074","13081","10.1039/d4sc03381g","","","1.54184","CuKα","","0.0689","0.0487","","","0.1202","0.1385","","","","","","1.022","","","","has coordinates,has disorder","294460","2024-09-05","23:44:30",""
"1572152","12.7215","0.0005","15.7043","0.0006","16.4829","0.0006","99.04","0.001","90.039","0.001","111.104","0.002","3028.1","0.2","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H33 Br N2 O2 -","- C38 H33 Br N2 O2 -","- C152 H132 Br4 N8 O8 -","4","2","","Hu, Xueqing; Zhao, Yunxu; He, Tong; Niu, Caoyue; Liu, Feipeng; Jia, Wei; Mu, Yi; Li, Xingwei; Rong, Zi-Qiang","Access to distal biaxial atropisomers by iridium catalyzed asymmetric C-H alkylation.","Chemical science","2024","15","33","13541","13549","10.1039/d4sc01837k","","x-ray","0.71073","MoKα","","0.109","0.0574","","","0.1179","0.144","","","","","","0.995","","","","has coordinates,has disorder","294471","2024-09-05","23:46:54",""
"1572153","11.4007","0.0003","12.6971","0.0003","23.0034","0.0006","90","","90","","90","","3329.88","0.15","193","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H35 N3 O4 -","- C42 H35 N3 O4 -","- C168 H140 N12 O16 -","4","1","","Hu, Xueqing; Zhao, Yunxu; He, Tong; Niu, Caoyue; Liu, Feipeng; Jia, Wei; Mu, Yi; Li, Xingwei; Rong, Zi-Qiang","Access to distal biaxial atropisomers by iridium catalyzed asymmetric C-H alkylation.","Chemical science","2024","15","33","13541","13549","10.1039/d4sc01837k","","","1.54178","CuKα","","0.0249","0.0245","","","0.0645","0.0648","","","","","","1.054","","","","has coordinates","294471","2024-09-05","23:46:55",""
"1572154","10.8233","0.0006","7.0541","0.0004","18.1771","0.001","90","","94.633","0.002","90","","1383.26","0.13","193","","193","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H34 N2 O2 -","- C35 H34 N2 O2 -","- C70 H68 N4 O4 -","2","1","","Hu, Xueqing; Zhao, Yunxu; He, Tong; Niu, Caoyue; Liu, Feipeng; Jia, Wei; Mu, Yi; Li, Xingwei; Rong, Zi-Qiang","Access to distal biaxial atropisomers by iridium catalyzed asymmetric C-H alkylation.","Chemical science","2024","15","33","13541","13549","10.1039/d4sc01837k","","","1.54178","CuKα","","0.0321","0.0319","","","0.0804","0.0807","","","","","","1.088","","","","has coordinates","294471","2024-09-05","23:46:55",""
"1572155","10.0009","0.0005","11.0174","0.0006","34.0362","0.0018","90","","90","","90","","3750.2","0.3","193","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C45 H41 N3 O6 -","- C45 H41 N3 O6 -","- C180 H164 N12 O24 -","4","1","","Hu, Xueqing; Zhao, Yunxu; He, Tong; Niu, Caoyue; Liu, Feipeng; Jia, Wei; Mu, Yi; Li, Xingwei; Rong, Zi-Qiang","Access to distal biaxial atropisomers by iridium catalyzed asymmetric C-H alkylation.","Chemical science","2024","15","33","13541","13549","10.1039/d4sc01837k","","","1.54178","CuKα","","0.0575","0.0557","","","0.1536","0.157","","","","","","1.086","","","","has coordinates,has disorder","294471","2024-09-05","23:46:55",""
"1572156","9.12295","0.00012","9.29509","0.00014","10.32066","0.00017","66.4462","0.0015","78.678","0.0013","73.4692","0.0012","765.7","0.02","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 O2 S -","- C18 H18 O2 S -","- C36 H36 O4 S2 -","2","1","","Chi, Zhuomin; Zhou, Yongchao; Liu, Bingbing; Xu, Xiaojing; Liu, Xueyuan; Liang, Yongmin","Nickel-catalyzed regiodivergent sulfonylarylation of 1,3-enynes to access allenes and dienes.","Chemical science","2024","15","33","13271","13278","10.1039/d4sc03067b","","x-ray","1.54184","CuKα","","0.0317","0.0313","","","0.0855","0.0859","","","","","","1.052","","","","has coordinates,has disorder","294476","2024-09-05","23:49:28",""
"1572157","12.835","0.002","17.351","0.003","26.132","0.005","90","","95.473","0.006","90","","5793.1","1.7","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H69 Ca2 Cl4 I2 N8 O4 -","- C49 H69 Ca2 Cl4 I2 N8 O4 -","- C196 H276 Ca8 Cl16 I8 N32 O16 -","4","1","","Francés-Poveda, Enrique; Martínez de Sarasa Buchaca, Marc; Moya-López, Carmen; Vitorica-Yrezabal, Iñigo J.; López-Solera, Isabel; Castro-Osma, José A.; la Cruz-Martínez, Felipe de; Lara-Sánchez, Agustín","Calcium-catalysed ring-opening copolymerisation of epoxides and cyclic anhydrides","Polymer Chemistry","2024","15","32","3238","3245","10.1039/D4PY00379A","","","0.71073","MoKα","","0.1283","0.1078","","","0.278","0.2911","","","","","","1.145","","","","has coordinates","294644","2024-09-06","02:07:18",""
"1572158","9.505","0.003","10.99","0.003","12.918","0.005","106.384","0.011","100.446","0.011","93.892","0.01","1263","0.7","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H50 Ca2 Cl4 I2 N8 O4 -","- C38 H50 Ca2 Cl4 I2 N8 O4 -","- C38 H50 Ca2 Cl4 I2 N8 O4 -","1","0.5","","Francés-Poveda, Enrique; Martínez de Sarasa Buchaca, Marc; Moya-López, Carmen; Vitorica-Yrezabal, Iñigo J.; López-Solera, Isabel; Castro-Osma, José A.; la Cruz-Martínez, Felipe de; Lara-Sánchez, Agustín","Calcium-catalysed ring-opening copolymerisation of epoxides and cyclic anhydrides","Polymer Chemistry","2024","15","32","3238","3245","10.1039/D4PY00379A","","","0.71073","MoKα","","0.0589","0.0444","","","0.123","0.1348","","","","","","1.031","","","","has coordinates","294644","2024-09-06","02:07:22",""
"1572159","9.6253","0.0001","13.6771","0.0002","13.7938","0.0002","76.41","0.001","83.455","0.001","80.345","0.001","1734.78","0.04","100","","100.15","","","","","","","","","5","P -1","-P 1","2","","Chlorido[(1,2,5,6-η)-cycloocta-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-ylidene)rhodium(I)","","- C16 H27 Cl N3 Rh -","- C16 H27 Cl N3 Rh -","- C64 H108 Cl4 N12 Rh4 -","4","2","BT4153","Lerch, Timothy G.; Gau, Michael; Albert, Daniel R.; Rajaseelan, Edward","Chlorido[(1,2,5,6-η)-cycloocta-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-ylidene)rhodium(I)","IUCrData","2024","9","7","","","10.1107/S2414314624007041","","","0.71073","MoKα","","0.0284","0.0252","","","0.0648","0.0663","","","","","","1.026","","","","has coordinates","293524","2024-07-24","02:04:57",""
"1572160","21.6654","0.0002","11.6105","0.0001","15.6201","0.0001","90","","96.284","0.001","90","","3905.57","0.06","100","0.11","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H64 N4 S4 U -","- C32 H64 N4 S4 U -","- C128 H256 N16 S16 U4 -","4","1","","Kelly, Sheridon N.; Russo, Dominic R.; Ouellette, Erik T.; Roy, Debashree; Swift, Andrew J.; Boreen, Michael A.; Smith, Patrick W.; Moreau, Liane M.; Arnold, John; Minasian, Stefan G.","Formation of uranium disulfide from a uranium thioamidate single-source precursor.","Chemical science","2024","15","33","13325","13332","10.1039/d4sc03422h","","","1.54184","CuKα","","0.0252","0.0227","","","0.0586","0.0599","","","","","","1.103","","","","has coordinates","294472","2024-09-05","23:47:05",""
"1572161","8.14215","0.00012","11.39563","0.0002","21.7386","0.0003","90","","90","","90","","2017.01","0.05","140","0.1","140","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H31 Cl Cu N -","- C21 H31 Cl Cu N -","- C84 H124 Cl4 Cu4 N4 -","4","1","","Madron du Vigné, Adrien; Cramer, Nicolai","Streamlined synthetic assembly of α-chiral CAAC ligands and catalytic performance of their copper and ruthenium complexes.","Chemical science","2024","15","34","13864","13871","10.1039/d4sc04278f","","x-ray","1.54184","CuKα","","0.0211","0.0202","","","0.0538","0.0544","","","","","","1.034","","","","has coordinates","294501","2024-09-06","00:00:24",""
"1572162","9.6227","0.0003","8.2304","0.0003","12.9158","0.0003","90","","98.352","0.002","90","","1012.07","0.05","140","0.1","140","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H31 Cl Cu N -","- C21 H31 Cl Cu N -","- C42 H62 Cl2 Cu2 N2 -","2","1","","Madron du Vigné, Adrien; Cramer, Nicolai","Streamlined synthetic assembly of α-chiral CAAC ligands and catalytic performance of their copper and ruthenium complexes.","Chemical science","2024","15","34","13864","13871","10.1039/d4sc04278f","","x-ray","1.54184","CuKα","","0.0343","0.031","","","0.0756","0.0777","","","","","","1.046","","","","has coordinates","294501","2024-09-06","00:00:24",""
"1572163","10.5297","0.0005","13.2008","0.0007","16.3003","0.0007","90","","90","","90","","2265.75","0.19","200","0.1","200","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H35 Cl Cu N -","- C23 H35 Cl Cu N -","- C92 H140 Cl4 Cu4 N4 -","4","1","","Madron du Vigné, Adrien; Cramer, Nicolai","Streamlined synthetic assembly of α-chiral CAAC ligands and catalytic performance of their copper and ruthenium complexes.","Chemical science","2024","15","34","13864","13871","10.1039/d4sc04278f","","x-ray","1.54184","CuKα","","0.0905","0.0855","","","0.2395","0.247","","","","","","1.061","","","","has coordinates,has disorder","294501","2024-09-06","00:00:24",""
"1572164","8.5182","0.0002","15.3074","0.0005","9.1646","0.0003","90","","103.104","0.003","90","","1163.87","0.06","140","0.3","140","0.3","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H35 Cl Cu N S -","- C23 H35 Cl Cu N S -","- C46 H70 Cl2 Cu2 N2 S2 -","2","1","","Madron du Vigné, Adrien; Cramer, Nicolai","Streamlined synthetic assembly of α-chiral CAAC ligands and catalytic performance of their copper and ruthenium complexes.","Chemical science","2024","15","34","13864","13871","10.1039/d4sc04278f","","x-ray","1.54184","CuKα","","0.0493","0.0472","","","0.1217","0.1234","","","","","","1.041","","","","has coordinates","294501","2024-09-06","00:00:24",""
"1572165","18.5489","0.0009","8.927","0.0004","27.5267","0.0011","90","","109.441","0.005","90","","4298.2","0.4","140","0.1","140","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H69 Cl2 N O Ru -","- C36 H45 Cl2 N O Ru -","- C144 H180 Cl8 N4 O4 Ru4 -","4","2","","Madron du Vigné, Adrien; Cramer, Nicolai","Streamlined synthetic assembly of α-chiral CAAC ligands and catalytic performance of their copper and ruthenium complexes.","Chemical science","2024","15","34","13864","13871","10.1039/d4sc04278f","","x-ray","1.54184","CuKα","","0.0966","0.0852","","","0.2177","0.2261","","","","","","1.088","","","","has coordinates","294501","2024-09-06","00:00:24",""
"1572166","11.5043","0.0003","16.034","0.0004","17.8672","0.0005","90","","90","","90","","3295.78","0.15","139.99","0.1","139.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H45 Cl2 N O Ru -","- C35 H45 Cl2 N O Ru -","- C140 H180 Cl8 N4 O4 Ru4 -","4","1","","Madron du Vigné, Adrien; Cramer, Nicolai","Streamlined synthetic assembly of α-chiral CAAC ligands and catalytic performance of their copper and ruthenium complexes.","Chemical science","2024","15","34","13864","13871","10.1039/d4sc04278f","","x-ray","1.54184","CuKα","","0.0659","0.055","","","0.137","0.1448","","","","","","1.065","","","","has coordinates","294501","2024-09-06","00:00:24",""
"1572167","7.4527","0.0001","16.7911","0.0002","18.3652","0.0003","105.931","0.001","93.863","0.001","90.313","0.001","2204.23","0.05","100","0.1","100","0.1","","","","","","","","3","P 1","P 1","1","","","","- C88.5 H95 O8 -","- C88 H101.5 O8 -","- C88 H101.5 O8 -","1","1","","Kundu, Sourav; Jana, Debgopal; Mandal, Nilangshu; Mondal, Ayan; Murmu, Ranjit; Roy, Nanda Kishore; Datta, Ayan; Bisai, Alakesh","Biomimetic total synthesis of the reported structure of (+)-selaginedorffone B","Chemical Science","2024","","","","","10.1039/D4SC04103H","","x-ray","1.54184","CuKα","","0.0849","0.0813","","","0.2294","0.2368","","","","","","1.128","","","","has coordinates,has disorder","293538","2024-07-25","22:06:45",""
"1572168","6.7962","0.0001","21.0544","0.0002","25.6129","0.0002","90","","90","","90","","3664.95","0.07","99.99","0.1","99.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H52 O6 -","- C42 H52 O6 -","- C168 H208 O24 -","4","1","","Kundu, Sourav; Jana, Debgopal; Mandal, Nilangshu; Mondal, Ayan; Murmu, Ranjit; Roy, Nanda Kishore; Datta, Ayan; Bisai, Alakesh","Biomimetic total synthesis of the reported structure of (+)-selaginedorffone B","Chemical Science","2024","","","","","10.1039/D4SC04103H","","x-ray","1.54184","CuKα","","0.042","0.0405","","","0.1041","0.1058","","","","","","1.047","","","","has coordinates","293538","2024-07-25","22:06:46",""
"1572169","6.2642","0.0003","8.0505","0.0002","36.8967","0.0006","86.519","0.002","86.864","0.002","67.266","0.003","1711.99","0.1","100","0.1","100","0.1","","","","","","","","3","P 1","P 1","1","","","","- C42 H46 O6 -","- C42 H44.5 O6 -","- C84 H89 O12 -","2","2","","Kundu, Sourav; Jana, Debgopal; Mandal, Nilangshu; Mondal, Ayan; Murmu, Ranjit; Roy, Nanda Kishore; Datta, Ayan; Bisai, Alakesh","Biomimetic total synthesis of the reported structure of (+)-selaginedorffone B","Chemical Science","2024","","","","","10.1039/D4SC04103H","","x-ray","1.54184","CuKα","","0.1242","0.1227","","","0.3578","0.3615","","","","","","1.828","","","","has coordinates","293538","2024-07-25","22:06:46",""
"1572170","11.5578","0.0008","15.0808","0.001","15.1865","0.0008","90","","109.789","0.002","90","","2490.7","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 B2 F6 N6 -","- C22 H34 B2 F6 N6 -","- C88 H136 B8 F24 N24 -","4","1","","Sire, Charline; Meneyrol, Vincent; Saffon-Merceron, Nathalie; Terreno, Enzo; Garello, Francesca; Tei, Lorenzo; Jestin, Emmanuelle; Tripier, Raphaël; Troadec, Thibault","A versatile fluorinated azamacrocyclic chelator enabling <sup>18</sup>F PET or <sup>19</sup>F MRI: a first step towards new multimodal and smart contrast agents.","Chemical science","2024","15","33","13550","13557","10.1039/d4sc02871f","","","0.71073","MoKα","","0.0752","0.0511","","","0.1152","0.1321","","","","","","1.011","","","","has coordinates,has disorder","294470","2024-09-05","23:46:34",""
"1572171","12.8808","0.0005","12.9692","0.0005","13.6306","0.0005","75.784","0.003","67.305","0.003","60.961","0.003","1831.85","0.14","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H36 B2 F6 I6 N6 -","- C22 H36 B2 F6 I6 N6 -","- C44 H72 B4 F12 I12 N12 -","2","1","","Sire, Charline; Meneyrol, Vincent; Saffon-Merceron, Nathalie; Terreno, Enzo; Garello, Francesca; Tei, Lorenzo; Jestin, Emmanuelle; Tripier, Raphaël; Troadec, Thibault","A versatile fluorinated azamacrocyclic chelator enabling <sup>18</sup>F PET or <sup>19</sup>F MRI: a first step towards new multimodal and smart contrast agents.","Chemical science","2024","15","33","13550","13557","10.1039/d4sc02871f","","","1.54178","CuKα","","0.0984","0.0541","","","0.1187","0.1381","","","","","","1.002","","","","has coordinates","294470","2024-09-05","23:46:35",""
"1572172","17.1147","0.0008","9.0627","0.0005","16.9949","0.0008","90","","90","","90","","2636","0.2","193","2","193","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C22 H36 B2 F6 N6 O2 Zn -","- C22 H36 B2 F6 N6 O2 Zn -","- C88 H144 B8 F24 N24 O8 Zn4 -","4","1","","Sire, Charline; Meneyrol, Vincent; Saffon-Merceron, Nathalie; Terreno, Enzo; Garello, Francesca; Tei, Lorenzo; Jestin, Emmanuelle; Tripier, Raphaël; Troadec, Thibault","A versatile fluorinated azamacrocyclic chelator enabling <sup>18</sup>F PET or <sup>19</sup>F MRI: a first step towards new multimodal and smart contrast agents.","Chemical science","2024","15","33","13550","13557","10.1039/d4sc02871f","","","0.71073","MoKα","","0.0303","0.0239","","","0.0499","0.0521","","","","","","1.047","","","","has coordinates,has disorder","294470","2024-09-05","23:46:35",""
"1572173","11.4757","0.0002","7.6251","0.0002","30.9076","0.0007","90","","99.557","0.001","90","","2666.98","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 N2 O4 -","- C28 H46 N2 O4 -","- C112 H184 N8 O16 -","4","1","","Bhattacharya, Debkanta; Scherübl, Maximilian; Daniliuc, Constantin G.; Studer, Armido","Intermolecular radical oxyalkylation of arynes with alkenes and TEMPO.","Chemical science","2024","15","34","13712","13716","10.1039/d4sc04369c","","single crystal","1.54178","CuKα","","0.0499","0.0379","","","0.0829","0.0893","","","","","","1.046","","","","has coordinates","294492","2024-09-05","23:57:37",""
"1572174","15.3322","0.0006","7.6032","0.0003","22.4351","0.0008","90","","91.006","0.002","90","","2614.94","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Cl2 N2 O2 -","- C26 H42 Cl2 N2 O2 -","- C104 H168 Cl8 N8 O8 -","4","1","","Bhattacharya, Debkanta; Scherübl, Maximilian; Daniliuc, Constantin G.; Studer, Armido","Intermolecular radical oxyalkylation of arynes with alkenes and TEMPO.","Chemical science","2024","15","34","13712","13716","10.1039/d4sc04369c","","single crystal","1.54178","CuKα","","0.0339","0.0307","","","0.0755","0.0777","","","","","","1.028","","","","has coordinates","294492","2024-09-05","23:57:38",""
"1572175","10.31","0.0002","14.2475","0.0002","21.2431","0.0004","90","","101.444","0.002","90","","3058.4","0.1","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.038","0.0304","","","0.0713","0.0749","","","","","","1.046","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572176","10.4052","0.0003","14.404","0.0004","21.488","0.0007","90","","102.191","0.003","90","","3147.92","0.17","270","0.1","270","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0568","0.0372","","","0.0802","0.0871","","","","","","1.036","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572177","10.4206","0.0003","14.4229","0.0004","21.5777","0.0007","90","","102.327","0.003","90","","3168.26","0.17","300","0.1","300","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0626","0.0394","","","0.0878","0.0956","","","","","","1.05","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572178","10.3485","0.0002","14.3166","0.0003","21.297","0.0005","90","","101.719","0.002","90","","3089.49","0.12","170","0.1","170","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0421","0.0306","","","0.0677","0.0723","","","","","","1.05","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572179","10.4118","0.0003","14.4128","0.0004","21.5424","0.0007","90","","102.244","0.003","90","","3159.19","0.17","290","0.1","290","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0595","0.0373","","","0.0817","0.0888","","","","","","1.04","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572180","10.3635","0.0002","14.3461","0.0003","21.3369","0.0005","90","","101.833","0.002","90","","3104.87","0.12","200","0.1","200","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0438","0.0318","","","0.0697","0.074","","","","","","1.055","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572181","10.3931","0.0003","14.392","0.0004","21.4414","0.0006","90","","102.072","0.003","90","","3136.23","0.16","250","0.1","250","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0531","0.0364","","","0.0795","0.0853","","","","","","1.039","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572182","10.3596","0.0002","14.3374","0.0003","21.325","0.0005","90","","101.8","0.002","90","","3100.46","0.12","190","0.1","190","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0442","0.0321","","","0.0721","0.0767","","","","","","1.039","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572183","10.3538","0.0002","14.3266","0.0003","21.3096","0.0005","90","","101.766","0.002","90","","3094.54","0.12","180","0.1","180","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0438","0.0316","","","0.0706","0.0756","","","","","","1.057","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572184","10.4058","0.0003","14.4072","0.0004","21.5108","0.0007","90","","102.195","0.003","90","","3152.09","0.17","280","0.1","280","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0577","0.037","","","0.0813","0.0884","","","","","","1.059","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572185","10.3478","0.0002","14.3119","0.0003","21.2778","0.0004","90","","101.654","0.0019","90","","3086.22","0.11","160","0.1","160","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0396","0.0297","","","0.0654","0.0692","","","","","","1.059","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572186","10.3865","0.0002","14.3825","0.0003","21.4194","0.0005","90","","102","0.002","90","","3129.79","0.12","240","0.1","240","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.05","0.0341","","","0.0741","0.0797","","","","","","1.045","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572187","10.338","0.00019","14.2897","0.0003","21.26","0.0004","90","","101.587","0.0018","90","","3076.67","0.11","140.15","0.1","140.15","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0396","0.0297","","","0.0664","0.0708","","","","","","1.028","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572188","10.31657","0.00018","14.2556","0.0002","21.2459","0.0004","90","","101.476","0.0017","90","","3062.15","0.09","110.01","0.1","110.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0389","0.0308","","","0.0733","0.077","","","","","","1.041","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572189","10.3238","0.00019","14.2662","0.0002","21.2517","0.0004","90","","101.523","0.0018","90","","3066.89","0.09","120.01","0.1","120.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0376","0.0289","","","0.066","0.0697","","","","","","1.04","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572190","10.399","0.0003","14.3997","0.0004","21.4703","0.0006","90","","102.143","0.003","90","","3143.08","0.16","260","0.1","260","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0558","0.0373","","","0.0812","0.088","","","","","","1.044","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572191","9.3436","0.0001","15.2429","0.0002","16.3815","0.0001","90","","98.51","0.001","90","","2307.42","0.04","100","0.2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Dy N -","- C26 H38 Dy N -","- C104 H152 Dy4 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","","1.54184","CuKα","","0.0337","0.0306","","","0.0829","0.0849","","","","","","1.073","","","","has coordinates","294477","2024-09-05","23:50:13",""
"1572192","10.33049","0.00019","14.2778","0.0002","21.2557","0.0004","90","","101.553","0.0018","90","","3071.63","0.09","130.15","0.1","130.15","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0394","0.0297","","","0.0661","0.0704","","","","","","1.032","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572193","10.3697","0.0002","14.3573","0.0003","21.3576","0.0005","90","","101.856","0.002","90","","3111.91","0.12","210","0.1","210","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0457","0.0331","","","0.0727","0.0773","","","","","","1.051","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572194","10.3061","0.0001","14.2414","0.0002","21.2495","0.0004","90","","101.465","0.002","90","","3056.63","0.08","100","0.2","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 I4 N Y -","- C25 H32 Cl2 I4 N Y -","- C100 H128 Cl8 I16 N4 Y4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","","1.54184","CuKα","","0.0646","0.0589","","","0.162","0.1699","","","","","","0.999","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572195","10.3816","0.0002","14.3751","0.0003","21.3967","0.0005","90","","101.96","0.002","90","","3123.85","0.12","230","0.1","230","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0486","0.0339","","","0.0746","0.0802","","","","","","1.055","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572196","10.3396","0.0002","14.3064","0.0003","21.2014","0.0004","90","","101.314","0.002","90","","3075.22","0.11","99.8","0.6","99.8","0.6","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Gd I4 N -","- C25 H32 Cl2 Gd I4 N -","- C100 H128 Cl8 Gd4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0375","0.0301","","","0.0686","0.0719","","","","","","1.065","","","","has coordinates","294477","2024-09-05","23:50:13",""
"1572197","10.3772","0.0002","14.3687","0.0003","21.3762","0.0005","90","","101.907","0.002","90","","3118.76","0.12","220","0.1","220","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0467","0.0334","","","0.0743","0.0792","","","","","","1.054","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572198","10.344","0.0002","14.3003","0.0003","21.2652","0.0004","90","","101.627","0.0019","90","","3081.05","0.11","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Dy I4 N -","- C25 H32 Cl2 Dy I4 N -","- C100 H128 Cl8 Dy4 I16 N4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","x-ray","0.71073","MoKα","","0.0384","0.0293","","","0.0648","0.0682","","","","","","1.05","","","","has coordinates,has disorder","294477","2024-09-05","23:50:13",""
"1572199","9.3429","0.00006","15.24462","0.00011","16.36886","0.00011","90","","98.4832","0.0006","90","","2305.89","0.03","100","0.1","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 N Y -","- C26 H38 N Y -","- C104 H152 N4 Y4 -","4","1","","Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan","Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.","Chemical science","2024","15","33","13389","13404","10.1039/d4sc03786c","","","1.54184","CuKα","","0.0276","0.0257","","","0.0673","0.0686","","","","","","1.0251","","","","has coordinates","294477","2024-09-05","23:50:13",""
"1572200","8.9799","0.0003","8.8926","0.0003","15.2066","0.0004","90","","105.554","0.003","90","","1169.85","0.07","293","2","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H20 B3 N -","- C9 H20 B3 N -","- C36 H80 B12 N4 -","4","1","","Fan, Zi-Heng; Kang, Jia-Xin; Jia, Sihan; Pan, Qiao-Jing; Cao, Lei; Chen, Xi-Meng; Xu, Cong-Qiao; Ma, Yan-Na; Chen, Xuenian","Triborane (B<sub>3</sub>H<sub>7</sub>)-mediated regioselective substitution reactions of pyridine derivatives.","Chemical science","2024","15","34","13923","13929","10.1039/d4sc03109a","","x-ray","1.54184","CuKα","","0.0534","0.0475","","","0.1362","0.1423","","","","","","1.095","","","","has coordinates,has disorder","294495","2024-09-05","23:58:30",""
"1572201","13.9099","0.0008","8.0101","0.0004","14.4607","0.0008","90","","90","","90","","1611.21","0.15","293","2","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H12 B3 N -","- C5 H12 B3 N -","- C40 H96 B24 N8 -","8","1","","Fan, Zi-Heng; Kang, Jia-Xin; Jia, Sihan; Pan, Qiao-Jing; Cao, Lei; Chen, Xi-Meng; Xu, Cong-Qiao; Ma, Yan-Na; Chen, Xuenian","Triborane (B<sub>3</sub>H<sub>7</sub>)-mediated regioselective substitution reactions of pyridine derivatives.","Chemical science","2024","15","34","13923","13929","10.1039/d4sc03109a","","x-ray","1.54184","CuKα","","0.0732","0.0546","","","0.139","0.1744","","","","","","1.141","","","","has coordinates","294495","2024-09-05","23:58:30",""
"1572202","6.5669","0.0018","9.414","0.003","27.57","0.009","90","","90","","90","","1704.4","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(η^6^-Benzene)chlorido[(<i>S</i>)-2-(4-isopropyl-4,5-dihydrooxazol-2-yl)phenolato]ruthenium(II)","","- C18 H20 Cl N O2 Ru -","- C18 H20 Cl N O2 Ru -","- C72 H80 Cl4 N4 O8 Ru4 -","4","1","ZL4075","Kelani, Monsuru T.; Muller, Alfred; Lammertsma, Koop","(η6-Benzene)chlorido[(S)-2-(4-isopropyl-4,5-dihydrooxazol-2-yl)phenolato]ruthenium(II)","IUCrData","2024","9","7","","","10.1107/S241431462400720X","","","0.71073","MoKα","","0.0712","0.0447","","","0.0793","0.0888","","","","","","0.975","","","","has coordinates","293563","2024-07-27","02:02:47",""
"1572203","8.2817","0.0006","12.1775","0.0011","24.094","0.002","90","","94.072","0.003","90","","2423.8","0.3","297","2","297","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H27 F2 N -","- C30 H27 F2 N -","- C120 H108 F8 N4 -","4","1","","Zhu, Yulei; Jia, Jie; Song, Xiangyu; Gong, Chunyu; Xia, Ying","Double strain-release enables formal C-O/C-F and C-N/C-F ring-opening metathesis.","Chemical science","2024","15","34","13800","13806","10.1039/d4sc03624g","","","0.71073","MoKα","","0.1264","0.0566","","","0.1308","0.1694","","","","","","1.013","","","","has coordinates","294497","2024-09-05","23:58:47",""
"1572204","9.529","0.0006","9.7708","0.0006","13.6707","0.0009","93.325","0.002","107.464","0.002","114.272","0.002","1082.49","0.12","203","2","203","2","","","","","","","","6","P 1","P 1","1","","","","- C44 H49 Br2 Cl2 N3 Ni -","- C44 H49 Br2 Cl2 N3 Ni -","- C44 H49 Br2 Cl2 N3 Ni -","1","1","","Norouzinyanlakvan, Somayeh; Ovens, Jeffrey; Richeson, Darrin","Electrocatalytic reduction of nitrite to ammonium ion using Ni(ii) complexes with redox-active di(imino)pyridine ligands","Catalysis Science & Technology","2024","14","18","5422","5429","10.1039/D4CY00715H","","","0.71073","MoKα","","0.0321","0.0296","","","0.0732","0.0749","","","","","","1.031","","","","has coordinates","295087","2024-10-06","04:17:11",""
"1572205","10.708","0.003","16.476","0.004","10.065","0.004","90","","110.43","0.02","90","","1664","0.9","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","olanzapine","","","- C17 H20 N4 S -","- C17 H20 N4 S -","- C68 H80 N16 S4 -","4","1","UR5003","Anyfanti, Goulielmina; Husanu, Elena; Andrusenko, Iryna; Marchetti, Danilo; Gemmi, Mauro","The crystal structure of olanzapine form III.","IUCrJ","2024","11","5","","","10.1107/S2052252524007383","","electron","0.0335","electrons120keV","","0.2015","0.1158","","","0.1139","0.1244","","","","0","0","2.23","","","","has coordinates","293592","2024-07-30","02:08:21",""
"1572206","10.1835","0.0007","12.9146","0.0009","16.303","0.0011","81.259","0.002","87.322","0.002","68.522","0.002","1971.9","0.2","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H96 Ca8 N8 O59 -","- C40 H96 Ca8 N8 O59 -","- C40 H96 Ca8 N8 O59 -","1","0.5","","Bhochiya, Rahul; Mondal, Pradip Kumar; Balkrishna, Shah Jaimin","A novel pH-sensitive method for the quantification of Ca<sup>2+</sup> ions by complexometric titration with Na<sub>3</sub>HEDTA.","Analytical methods : advancing methods and applications","2024","16","33","5628","5632","10.1039/d4ay00782d","","","1.54178","CuKα","","0.0554","0.0531","","","0.1423","0.144","","","","","","1.074","","","","has coordinates","294397","2024-09-05","22:47:05",""
"1572207","12.7167","0.0003","30.5644","0.0008","12.3609","0.0003","90","","90.013","0.0013","90","","4804.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H42 N P Si2 -","- C21 H42 N P Si2 -","- C168 H336 N8 P8 Si16 -","8","2","","Würdemann, Marie Sophie; Kühn, Steffen; Bötel, Tobias; Schmidtmann, Marc; Müller, Thomas","Phospha-bicyclohexene-germylenes exhibiting unexpected reactivity.","Chemical science","2024","15","35","14161","14170","10.1039/d4sc04034a","","","0.71073","MoKα","","0.0577","0.049","","","0.1227","0.1277","","","","","","1.04","","","","has coordinates,has disorder","295192","2024-10-06","07:07:53",""
"1572208","10.2065","0.0003","19.2905","0.0005","11.5732","0.0003","90","","96.0698","0.001","90","","2265.86","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H38 N O P Si2 -","- C18 H38 N O P Si2 -","- C72 H152 N4 O4 P4 Si8 -","4","1","","Würdemann, Marie Sophie; Kühn, Steffen; Bötel, Tobias; Schmidtmann, Marc; Müller, Thomas","Phospha-bicyclohexene-germylenes exhibiting unexpected reactivity.","Chemical science","2024","15","35","14161","14170","10.1039/d4sc04034a","","","0.71073","MoKα","","0.0418","0.0364","","","0.0901","0.0933","","","","","","1.082","","","","has coordinates,has disorder","295192","2024-10-06","07:07:55",""
"1572209","15.9762","0.001","12.1459","0.0008","16.1325","0.001","90","","111.399","0.0012","90","","2914.6","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C18 H39 Cl4 Ga Ge N P Si2 -","- C18 H39 Cl4 Ga Ge N P Si2 -","- C72 H156 Cl16 Ga4 Ge4 N4 P4 Si8 -","4","1","","Würdemann, Marie Sophie; Kühn, Steffen; Bötel, Tobias; Schmidtmann, Marc; Müller, Thomas","Phospha-bicyclohexene-germylenes exhibiting unexpected reactivity.","Chemical science","2024","15","35","14161","14170","10.1039/d4sc04034a","","","0.71073","MoKα","","0.0298","0.0221","","","0.0546","0.0579","","","","","","1.02","","","","has coordinates","295192","2024-10-06","07:07:55",""
"1572210","9.8664","0.0004","10.8301","0.0005","13.2382","0.0005","83.1135","0.0016","86.3992","0.0016","69.5125","0.0016","1315.19","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H46 N P Si2 -","- C24 H46 N P Si2 -","- C48 H92 N2 P2 Si4 -","2","1","","Würdemann, Marie Sophie; Kühn, Steffen; Bötel, Tobias; Schmidtmann, Marc; Müller, Thomas","Phospha-bicyclohexene-germylenes exhibiting unexpected reactivity.","Chemical science","2024","15","35","14161","14170","10.1039/d4sc04034a","","","0.71073","MoKα","","0.0428","0.0345","","","0.0824","0.0862","","","","","","1.059","","","","has coordinates","295192","2024-10-06","07:07:55",""
"1572211","12.4246","0.0009","18.0809","0.0013","10.2515","0.0007","90","","90","","90","","2303","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H38 Ge N P Si2 -","- C18 H38 Ge N P Si2 -","- C72 H152 Ge4 N4 P4 Si8 -","4","0.5","","Würdemann, Marie Sophie; Kühn, Steffen; Bötel, Tobias; Schmidtmann, Marc; Müller, Thomas","Phospha-bicyclohexene-germylenes exhibiting unexpected reactivity.","Chemical science","2024","15","35","14161","14170","10.1039/d4sc04034a","","","0.71073","MoKα","","0.0191","0.0173","","","0.0498","0.0505","","","","","","1.076","","","","has coordinates","295192","2024-10-06","07:07:55",""
"1572212","12.0024","0.0009","11.8358","0.0009","23.4871","0.0018","90","","99.704","0.003","90","","3288.8","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H51 F6 Ge N P Sb Si2 -","- C24 H51 F6 Ge N P Sb Si2 -","- C96 H204 F24 Ge4 N4 P4 Sb4 Si8 -","4","1","","Würdemann, Marie Sophie; Kühn, Steffen; Bötel, Tobias; Schmidtmann, Marc; Müller, Thomas","Phospha-bicyclohexene-germylenes exhibiting unexpected reactivity.","Chemical science","2024","15","35","14161","14170","10.1039/d4sc04034a","","","0.71073","MoKα","","0.0404","0.0328","","","0.0864","0.0902","","","","","","1.033","","","","has coordinates,has disorder","295192","2024-10-06","07:07:55",""
"1572213","11.0704","0.0003","12.4659","0.0003","21.05","0.0006","90","","101.041","0.0011","90","","2851.18","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H48 Ge N2 Si2 -","- C25 H48 Ge N2 Si2 -","- C100 H192 Ge4 N8 Si8 -","4","1","","Würdemann, Marie Sophie; Kühn, Steffen; Bötel, Tobias; Schmidtmann, Marc; Müller, Thomas","Phospha-bicyclohexene-germylenes exhibiting unexpected reactivity.","Chemical science","2024","15","35","14161","14170","10.1039/d4sc04034a","","","0.71073","MoKα","","0.0268","0.0209","","","0.0548","0.0573","","","","","","1.057","","","","has coordinates","295192","2024-10-06","07:07:55",""
"1572214","19.5323","0.0004","19.5323","0.0004","29.2601","0.0006","90","","90","","120","","9667.5","0.3","297","2","297","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C30 H102 B60 Cu14 N6 O8 S12 -","- C30 H102 B60 Cu14 N6 O8 S12 -","- C90 H306 B180 Cu42 N18 O24 S36 -","3","0.166667","","Jana, Arijit; Duary, Subrata; Das, Amitabha; Kini, Amoghavarsha Ramachandra; Acharya, Swetashree; Machacek, Jan; Pathak, Biswarup; Base, Tomas; Pradeep, Thalappil","Multicolor photoluminescence of Cu<sub>14</sub> clusters modulated using surface ligands.","Chemical science","2024","15","34","13741","13752","10.1039/d4sc01566e","","","0.71073","MoKα","","0.085","0.056","","","0.1588","0.1835","","","","","","1.04","","","","has coordinates,has disorder","294502","2024-09-06","00:00:36",""
"1572215","12.5483","0.0003","11.9429","0.0003","15.1906","0.0005","90","","102.609","0.003","90","","2221.61","0.11","179.99","0.1","179.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H6 F20 N4 O3 S -","- C42 H6 F20 N4 O3 S -","- C84 H12 F40 N8 O6 S2 -","2","0.5","","Zhu, Mengliang; Zhang, Hang; Yao, Yuhang; Wen, Mingpu; Ran, Guangliu; Yu, Yi; Zhang, Ruijing; Liang, Xing-Jie; Zhang, Jing; Zhang, Wenkai; Zhang, Jun-Long","More is different: progressive β-thiolation induced-porphyrin aggregation switches singlet oxygen photosensitization.","Chemical science","2024","15","34","13841","13852","10.1039/d4sc03642e","","x-ray","0.71073","MoKα","","0.1016","0.096","","","0.2356","0.2393","","","","","","1.063","","","","has coordinates,has disorder","294493","2024-09-05","23:57:58",""
"1572216","15.425","0.0006","7.9625","0.0003","17.8492","0.0008","90","","109.055","0.004","90","","2072.14","0.15","180","0.1","180","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H6 F20 N4 O3 S -","- C42 H6 F20 N4 O3 S -","- C84 H12 F40 N8 O6 S2 -","2","0.5","","Zhu, Mengliang; Zhang, Hang; Yao, Yuhang; Wen, Mingpu; Ran, Guangliu; Yu, Yi; Zhang, Ruijing; Liang, Xing-Jie; Zhang, Jing; Zhang, Wenkai; Zhang, Jun-Long","More is different: progressive β-thiolation induced-porphyrin aggregation switches singlet oxygen photosensitization.","Chemical science","2024","15","34","13841","13852","10.1039/d4sc03642e","","x-ray","0.71073","MoKα","","0.0845","0.0534","","","0.1191","0.1299","","","","","","1.032","","","","has coordinates,has disorder","294493","2024-09-05","23:57:58",""
"1572217","11.9737","0.0002","16.1898","0.0003","22.2877","0.0003","90","","90","","90","","4320.51","0.12","179.99","0.1","179.99","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H12 F20 N6 O2 S2 -","- C46 H12 F20 N6 O2 S2 -","- C184 H48 F80 N24 O8 S8 -","4","0.5","","Zhu, Mengliang; Zhang, Hang; Yao, Yuhang; Wen, Mingpu; Ran, Guangliu; Yu, Yi; Zhang, Ruijing; Liang, Xing-Jie; Zhang, Jing; Zhang, Wenkai; Zhang, Jun-Long","More is different: progressive β-thiolation induced-porphyrin aggregation switches singlet oxygen photosensitization.","Chemical science","2024","15","34","13841","13852","10.1039/d4sc03642e","","x-ray","0.71073","MoKα","","0.0622","0.0498","","","0.1439","0.152","","","","","","1.034","","","","has coordinates","294493","2024-09-05","23:57:58",""
"1572218","12.3899","0.0001","12.3899","0.0001","27.31","0.0004","90","","90","","90","","4192.35","0.08","180","0.1","180","0.1","","","","","","","","6","I 4/m","-I 4","87","","","","- C42 H6 F20 N4 O2 S2 -","- C42 H6 F20 N4 O2 S2 -","- C168 H24 F80 N16 O8 S8 -","4","0.25","","Zhu, Mengliang; Zhang, Hang; Yao, Yuhang; Wen, Mingpu; Ran, Guangliu; Yu, Yi; Zhang, Ruijing; Liang, Xing-Jie; Zhang, Jing; Zhang, Wenkai; Zhang, Jun-Long","More is different: progressive β-thiolation induced-porphyrin aggregation switches singlet oxygen photosensitization.","Chemical science","2024","15","34","13841","13852","10.1039/d4sc03642e","","x-ray","0.71073","MoKα","","0.0562","0.0502","","","0.1405","0.1445","","","","","","1.033","","","","has coordinates","294493","2024-09-05","23:57:58",""
"1572219","10.1581","0.0008","15.8205","0.0013","18.1159","0.0015","90","","90.355","0.003","90","","2911.3","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H56 Cl6 N6 O6 S2 -","- C58 H56 Cl6 N6 O6 S2 -","- C116 H112 Cl12 N12 O12 S4 -","2","0.5","","Cutillas-Font, Guillermo; Pastor, Aurelia; Alajarin, Mateo; Martinez-Cuezva, Alberto; Marin-Luna, Marta; Batanero, Belen; Berna, Jose","Mechanical insulation of aza-Pechmann dyes within [2]rotaxanes.","Chemical science","2024","15","34","13823","13831","10.1039/d4sc03657c","","","0.71073","MoKα","","0.0774","0.0519","","","0.1296","0.1547","","","","","","1.08","","","","has coordinates","294494","2024-09-05","23:58:17",""
"1572220","14.549","0.005","14.378","0.005","30.473","0.01","90","","99.854","0.014","90","","6280","4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H86 N6 O6 S2 -","- C72 H86 N6 O6 S2 -","- C288 H344 N24 O24 S8 -","4","1","","Cutillas-Font, Guillermo; Pastor, Aurelia; Alajarin, Mateo; Martinez-Cuezva, Alberto; Marin-Luna, Marta; Batanero, Belen; Berna, Jose","Mechanical insulation of aza-Pechmann dyes within [2]rotaxanes.","Chemical science","2024","15","34","13823","13831","10.1039/d4sc03657c","","","0.71073","MoKα","","0.1174","0.0666","","","0.165","0.2205","","","","","","1.177","","","","has coordinates","294494","2024-09-05","23:58:17",""
"1572221","8.411","0.0005","9.8534","0.0007","9.884","0.0011","68.488","0.009","74.848","0.007","85.152","0.005","735.54","0.12","293","2","293","2","","","","","","","","5","P 1","P 1","1","K4HgGa9S16Cl","","","- Cd Cl Ga9 K4 S16 -","- Cl Ga9 K4 Mn S16 -","- Cl Ga9 K4 Mn S16 -","1","1","","Pei, Shao-Min; Zhang, Ming-Shu; Wu, Fan; Guo, Yan; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong","Salt-inclusion chalcogenides with d-orbital components: unveiling remarkable nonlinear optical properties and dual-band photoluminescence.","Chemical science","2024","15","34","13753","13759","10.1039/d4sc04018j","","","0.71073","MoKα","","0.0396","0.0373","","","0.0905","0.0915","","","","","","1.002","","","","has coordinates","294496","2024-09-05","23:58:38",""
"1572222","8.4316","0.0003","9.8787","0.0004","9.8986","0.0004","68.22","0.004","74.878","0.003","84.986","0.003","739.08","0.05","293","2","293","2","","","","","","","","5","P 1","P 1","1","K4HgGa9S16Cl","","","- Cl Ga9 Hg K4 S16 -","- Cl Ga9 Hg K4 S16 -","- Cl Ga9 Hg K4 S16 -","1","1","","Pei, Shao-Min; Zhang, Ming-Shu; Wu, Fan; Guo, Yan; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong","Salt-inclusion chalcogenides with d-orbital components: unveiling remarkable nonlinear optical properties and dual-band photoluminescence.","Chemical science","2024","15","34","13753","13759","10.1039/d4sc04018j","","","0.71073","MoKα","","0.0541","0.0486","","","0.1129","0.1154","","","","","","1","","","","has coordinates","294496","2024-09-05","23:58:39",""
"1572223","9.7333","0.0001","15.2824","0.0002","16.1184","0.0002","90","","91.158","0.001","90","","2397.09","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 N O2 S -","- C30 H25 N O2 S -","- C120 H100 N4 O8 S4 -","4","1","","Chikunova, Elena I.; Kotikova, Polina F.; Dar'in, Dmitry V.; Kukushkin, Vadim Yu.; Dubovtsev, Alexey Yu.","Coinage (Au, Ag, Cu) metal-catalyzed (3 + 2) annulation of α-aminoketones and electron-deficient alkynes as a route to 3-EWG-substituted pyrroles","Catalysis Science & Technology","2024","14","19","5671","5677","10.1039/D4CY00660G","","","1.54184","CuKα","","0.0431","0.0395","","","0.1098","0.1126","","","","","","1.09","","","","has coordinates","295085","2024-10-06","04:15:06",""
"1572224","9.2439","0.0002","14.8214","0.0004","28.8605","0.0007","90","","90","","90","","3954.11","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C49 H40 N2 O4 S -","- C49 H40 N2 O4 S -","- C196 H160 N8 O16 S4 -","4","1","","Chikunova, Elena I.; Kotikova, Polina F.; Dar'in, Dmitry V.; Kukushkin, Vadim Yu.; Dubovtsev, Alexey Yu.","Coinage (Au, Ag, Cu) metal-catalyzed (3 + 2) annulation of α-aminoketones and electron-deficient alkynes as a route to 3-EWG-substituted pyrroles","Catalysis Science & Technology","2024","14","19","5671","5677","10.1039/D4CY00660G","","x-ray","1.54184","CuKα","","0.0372","0.0355","","","0.095","0.0959","","","","","","1.073","","","","has coordinates","295085","2024-10-06","04:15:21",""
"1572225","13.71","0.03","8.846","0.019","16.24","0.03","90","","93.51","0.18","90","","1966","7","296","2","296","2","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","","","- C24 H18 O6 -","- C24 H18 O6 -","- C96 H72 O24 -","4","0.5","","Biswas, Subir; Barman, Dipankar; Dutta, Priyanka; Gour, Nand K.; Lee, Seonghwan; Kim, Donguk; Park, Young-Bin; Bora, Tonmoy J.; Devi, Arpita; Khanam, Salma A.; Saikia, Lakshi; Karunakar, Galla V.; Zaki, Magdi E. A.; Bania, Kusum K.","Ru-nanoparticles supported on zeolite-Y for ortho-benzylation of phenols and activation of H2O2 for selective synthesis of BINOLs","Catalysis Science & Technology","2024","14","18","5234","5256","10.1039/D4CY00429A","","","0.71073","MoKα","","0.3392","0.0953","","","0.1301","0.1902","","","","","","1.063","","","","has coordinates","295088","2024-10-06","04:17:58",""
"1572226","17.095","0.002","10.0218","0.001","7.0974","0.0008","90","","99.333","0.01","90","","1199.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Cd Cl2 N -","- C13 H9 Cd Cl2 N -","- C52 H36 Cd4 Cl8 N4 -","4","1","","Yang, Xiao-Gang; Chen, Ying-Jun; Yin, Pei-Pei; Li, Yan; Yang, Shu-Yao; Li, Yi-Man; Ma, Lu-Fang","Low thermal quenching of metal halide-based metal-organic framework phosphor for light-emitting diodes.","Chemical science","2024","15","35","14202","14208","10.1039/d4sc04228j","","x-ray","0.71073","MoKα","","0.1147","0.0994","","","0.2296","0.2407","","","","","","1.391","","","","has coordinates","295195","2024-10-06","07:10:55",""
"1572227","4.3815","0.0013","4.3815","0.0013","7.183","0.004","90","","90","","120","","119.42","0.08","81.15","","81.15","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- H2 O -","- H2 O -","- H8 O4 -","4","0.166667","VQ5006","Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof","Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.","IUCrJ","2024","11","5","","","10.1107/S2052252524006808","","electron","0.0251","electron","","0.2303","0.2096","","","0.2372","0.2392","","","","10.6381","10.6381","9.2439","","","","has coordinates","293634","2024-08-02","02:12:04",""
"1572228","4.3815","0.0013","4.3815","0.0013","7.183","0.004","90","","90","","120","","119.42","0.08","81.15","","81.15","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- H2 O -","- H2 O -","- H8 O4 -","4","0.166667","VQ5006","Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof","Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.","IUCrJ","2024","11","5","","","10.1107/S2052252524006808","","electron","0.0251","electron","","0.1282","0.1027","","","0.1231","0.1287","","","","3.222","3.222","2.5372","","","","has coordinates","293634","2024-08-02","02:12:05",""
"1572229","4.3815","0.0013","4.3815","0.0013","7.183","0.004","90","","90","","120","","119.42","0.08","81.15","","81.15","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- H1.999998 O1.000002 -","- H2 O -","- H8 O4 -","4","0.166667","VQ5006","Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof","Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.","IUCrJ","2024","11","5","","","10.1107/S2052252524006808","","electron","0.0251","electron","","0.1657","0.1434","","","0.1629","0.1656","","","","7.3676","7.3676","6.4507","","","","has coordinates","293634","2024-08-02","02:12:05",""
"1572230","4.3815","0.0013","4.3815","0.0013","7.183","0.004","90","","90","","120","","119.42","0.08","81.15","","81.15","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- H2 O -","- H1.99998 O1.00002 -","- H7.99992 O4.00008 -","4","0.166667","","Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof","Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.","IUCrJ","2024","11","5","","","10.1107/S2052252524006808","","","0.0251","electron","","0.2044","0.1934","","","0.376","0.3869","","","","","","1.7647","","","","has coordinates","293634","2024-08-02","02:12:05",""
"1572231","4.3815","0.0013","4.3815","0.0013","7.183","0.004","90","","90","","120","","119.42","0.08","81.15","","81.15","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- H2 O -","- H1.99998 O1.00002 -","- H7.99992 O4.00008 -","4","0.166667","","Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof","Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.","IUCrJ","2024","11","5","","","10.1107/S2052252524006808","","","0.0251","electron","","0.1288","0.1143","","","0.3363","0.3491","","","","","","1.3836","","","","has coordinates","293634","2024-08-02","02:12:05",""
"1572232","4.3815","0.0013","4.3815","0.0013","7.183","0.004","90","","90","","120","","119.42","0.08","81.15","","81.15","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- H2 O -","- H1.99998 O1.00002 -","- H7.99992 O4.00008 -","4","0.166667","","Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof","Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.","IUCrJ","2024","11","5","","","10.1107/S2052252524006808","","","0.0251","electron","","0.1246","0.1062","","","0.2812","0.2955","","","","","","1.0522","","","","has coordinates","293634","2024-08-02","02:12:05",""
"1572233","4.3815","0.0013","4.3815","0.0013","7.183","0.004","90","","90","","120","","119.42","0.08","81.15","","81.15","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- H2 O -","- H2 O -","- H8 O4 -","4","0.166667","","Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof","Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.","IUCrJ","2024","11","5","","","10.1107/S2052252524006808","","","0.0251","electron","","0.2209","0.2106","","","0.3882","0.4004","","","","","","1.6241","","","","has coordinates","293634","2024-08-02","02:12:05",""
"1572234","4.3815","0.0013","4.3815","0.0013","7.183","0.004","90","","90","","120","","119.42","0.08","81.15","","81.15","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- H2 O -","- H2 O -","- H8 O4 -","4","0.166667","","Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof","Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.","IUCrJ","2024","11","5","","","10.1107/S2052252524006808","","","0.0251","electron","","0.1234","0.1089","","","0.3272","0.3404","","","","","","1.3472","","","","has coordinates","293634","2024-08-02","02:12:05",""
"1572235","4.3815","0.0013","4.3815","0.0013","7.183","0.004","90","","90","","120","","119.42","0.08","81.15","","81.15","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- H2 O -","- H1.99998 O1.00002 -","- H7.99992 O4.00008 -","4","0.166667","","Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof","Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.","IUCrJ","2024","11","5","","","10.1107/S2052252524006808","","","0.0251","electron","","0.1212","0.1031","","","0.2729","0.2876","","","","","","1.0107","","","","has coordinates","293634","2024-08-02","02:12:05",""
"1572236","10.888","0.001","7.319","0.001","11.07","0.001","90","","91.77","0.01","90","","881.74","0.17","198","2","198","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 Fe N -","- C22 H25 Fe N -","- C44 H50 Fe2 N2 -","2","1","","Cao, Xu-You; Xu, Shi-Yin; Wu, Ling-Wei; Qiu, Yi-Feng; Zhang, Hao; Si, Li-Ping; Wang, Li-Ming; Liu, Hai-Yang","Co(iii) corroles with pendant amidophenol and amidopyridine as proton-relay arms to facilitate the electrocatalytic hydrogen evolution reaction","Catalysis Science & Technology","2024","14","19","5608","5615","10.1039/D4CY00677A","","","0.71073","MoKα","","0.0703","0.0476","","","0.0779","0.0852","","","","","","1.044","","","","has coordinates","295084","2024-10-06","04:13:28",""
"1572237","8.8638","0.0003","27.6166","0.001","22.2046","0.0008","90","","93.367","0.001","90","","5426","0.3","170","","170","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H36 Co F10 N4 O2 P -","- C65 H36 Co F10 N4 O2 P -","- C260 H144 Co4 F40 N16 O8 P4 -","4","1","","Cao, Xu-You; Xu, Shi-Yin; Wu, Ling-Wei; Qiu, Yi-Feng; Zhang, Hao; Si, Li-Ping; Wang, Li-Ming; Liu, Hai-Yang","Co(iii) corroles with pendant amidophenol and amidopyridine as proton-relay arms to facilitate the electrocatalytic hydrogen evolution reaction","Catalysis Science & Technology","2024","14","19","5608","5615","10.1039/D4CY00677A","","","0.71073","MoKα","","0.0911","0.0671","","","0.1758","0.1928","","","","","","1.053","","","","has coordinates","295084","2024-10-06","04:14:06",""
"1572238","8.0277","0.0005","10.4982","0.0004","22.0586","0.0011","90","","90","","90","","1859.02","0.16","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H12 Br2 O S -","- C22 H12 Br2 O S -","- C88 H48 Br8 O4 S4 -","4","1","","Zhao, Zhengxing; Li, Yingxin; Jia, Shiqi; Peng, Lei; Zhang, Zian; Wu, Fengdi; Wang, Pengfei; Qin, Wenling; Lan, Yu; Yan, Hailong","Catalytic asymmetric functionalization and dearomatization of thiophenes.","Chemical science","2024","15","35","14295","14303","10.1039/d4sc03530e","","","0.71073","MoKα","","0.0856","0.0529","","","0.106","0.1236","","","","","","1.071","","","","has coordinates","295196","2024-10-06","07:11:08",""
"1572239","12.4762","0.0008","12.4762","0.0008","9.5066","0.0006","90","","90","","120","","1281.51","0.14","200","0.1","200","0.1","","","","","","","","5","P 32","P 32","145","","","","- C20 H11 Br O S2 -","- C20 H11 Br O S2 -","- C60 H33 Br3 O3 S6 -","3","1","","Zhao, Zhengxing; Li, Yingxin; Jia, Shiqi; Peng, Lei; Zhang, Zian; Wu, Fengdi; Wang, Pengfei; Qin, Wenling; Lan, Yu; Yan, Hailong","Catalytic asymmetric functionalization and dearomatization of thiophenes.","Chemical science","2024","15","35","14295","14303","10.1039/d4sc03530e","","x-ray","0.71073","MoKα","","0.0703","0.0457","","","0.0656","0.0774","","","","","","0.997","","","","has coordinates","295196","2024-10-06","07:11:09",""
"1572240","9.0211","0.0004","8.9321","0.0003","11.4528","0.0006","90","","113.132","0.006","90","","848.64","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H13 Br O S -","- C22 H13 Br O S -","- C44 H26 Br2 O2 S2 -","2","1","","Zhao, Zhengxing; Li, Yingxin; Jia, Shiqi; Peng, Lei; Zhang, Zian; Wu, Fengdi; Wang, Pengfei; Qin, Wenling; Lan, Yu; Yan, Hailong","Catalytic asymmetric functionalization and dearomatization of thiophenes.","Chemical science","2024","15","35","14295","14303","10.1039/d4sc03530e","","x-ray","0.71073","MoKα","","0.0431","0.0347","","","0.0781","0.0834","","","","","","1.077","","","","has coordinates","295196","2024-10-06","07:11:09",""
"1572241","13.1561","0.0006","10.0689","0.0003","15.4836","0.0007","90","","109.024","0.005","90","","1939.05","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H24 Br4 O6 S4 -","- C42 H24 Br4 O6 S4 -","- C84 H48 Br8 O12 S8 -","2","1","","Zhao, Zhengxing; Li, Yingxin; Jia, Shiqi; Peng, Lei; Zhang, Zian; Wu, Fengdi; Wang, Pengfei; Qin, Wenling; Lan, Yu; Yan, Hailong","Catalytic asymmetric functionalization and dearomatization of thiophenes.","Chemical science","2024","15","35","14295","14303","10.1039/d4sc03530e","","x-ray","0.71073","MoKα","","0.0687","0.0405","","","0.0608","0.0734","","","","","","1.023","","","","has coordinates","295196","2024-10-06","07:11:09",""
"1572242","7.4965","0.0003","19.112","0.0007","11.7078","0.0004","90","","96.131","0.004","90","","1667.82","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H11 Br O S2 -","- C20 H11 Br O S2 -","- C80 H44 Br4 O4 S8 -","4","2","","Zhao, Zhengxing; Li, Yingxin; Jia, Shiqi; Peng, Lei; Zhang, Zian; Wu, Fengdi; Wang, Pengfei; Qin, Wenling; Lan, Yu; Yan, Hailong","Catalytic asymmetric functionalization and dearomatization of thiophenes.","Chemical science","2024","15","35","14295","14303","10.1039/d4sc03530e","","x-ray","0.71073","MoKα","","0.0708","0.044","","","0.0946","0.1082","","","","","","1.03","","","","has coordinates","295196","2024-10-06","07:11:09",""
"1572243","16.7347","0.0004","32.9396","0.0006","9.1702","0.0002","90","","94.685","0.002","90","","5038.04","0.19","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H18 N4 O -","- C33 H18 N4 O -","- C264 H144 N32 O8 -","8","2","","Zhang, Heng-Yuan; Zhang, Ming; Zhuo, Hao; Yang, Hao-Yu; Han, Bo; Zheng, Yong-Hao; Wang, Hui; Lin, Hui; Tao, Si-Lu; Zheng, Cai-Jun; Zhang, Xiao-Hong","Unraveling non-radiative decay channels of exciplexes to construct efficient red emitters for organic light-emitting diodes.","Chemical science","2024","15","36","14651","14659","10.1039/d4sc03667k","","x-ray","1.54178","CuKα","","0.0743","0.0458","","","0.1134","0.13","","","","","","0.964","","","","has coordinates","295184","2024-10-06","07:03:27",""
"1572244","5.8302","0.0007","15.5059","0.0015","33.206","0.003","90","","90","","90","","3001.9","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H25 Cl3 N4 -","- C38 H25 Cl3 N4 -","- C152 H100 Cl12 N16 -","4","1","","Zhang, Heng-Yuan; Zhang, Ming; Zhuo, Hao; Yang, Hao-Yu; Han, Bo; Zheng, Yong-Hao; Wang, Hui; Lin, Hui; Tao, Si-Lu; Zheng, Cai-Jun; Zhang, Xiao-Hong","Unraveling non-radiative decay channels of exciplexes to construct efficient red emitters for organic light-emitting diodes.","Chemical science","2024","15","36","14651","14659","10.1039/d4sc03667k","","x-ray","1.54178","CuKα","","0.057","0.0478","","","0.1154","0.1219","","","","","","1.03","","","","has coordinates","295184","2024-10-06","07:03:27",""
"1572245","8.5144","0.0008","25.961","0.003","16.1272","0.0016","90","","101.375","0.005","90","","3494.8","0.6","150","2","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","SAF-2NP","","- C47 H35 N5 O -","- C47 H35 N5 O -","- C188 H140 N20 O4 -","4","1","","Zhang, Heng-Yuan; Zhang, Ming; Zhuo, Hao; Yang, Hao-Yu; Han, Bo; Zheng, Yong-Hao; Wang, Hui; Lin, Hui; Tao, Si-Lu; Zheng, Cai-Jun; Zhang, Xiao-Hong","Unraveling non-radiative decay channels of exciplexes to construct efficient red emitters for organic light-emitting diodes.","Chemical science","2024","15","36","14651","14659","10.1039/d4sc03667k","","","1.54178","CuKα","","0.0492","0.0413","","","0.1055","0.1113","","","","","","1.034","","","","has coordinates","295184","2024-10-06","07:03:28",""
"1572246","10.0296","0.0003","10.3718","0.0003","18.1424","0.0004","99.27","0.002","93.906","0.002","118.766","0.003","1609.45","0.09","100","","100","0.3","","","","","","","","7","P 1","P 1","1","","[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-ylidene)(triphenylphosphane)rhodium(I) tetrafluoridoborate","","- C34 H42 B F4 N3 P Rh -","- C34 H42 B F4 N3 P Rh -","- C68 H84 B2 F8 N6 P2 Rh2 -","2","2","TK4108","Lerch, Timothy G.; Gau, Michael; Albert, Daniel R.; Rajaseelan, Edward","[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-ylidene)(triphenylphosphane)rhodium(I) tetrafluoridoborate","IUCrData","2024","9","8","","","10.1107/S2414314624007454","","","0.71073","MoKα","","0.0549","0.0487","","","0.1209","0.124","","","","","","1.032","","","","has coordinates,has disorder","293655","2024-08-03","02:10:42",""
"1572247","21.492","0.003","22.384","0.006","26.001","0.004","90","","111.87","0.009","90","","11608","4","93","","93","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54.09 H64.09 Cl4 I2 N4 O6 P2 -","- C53.3733 H64.277 Cl4 I2 N4 O5.8132 P2 -","- C426.986 H514.216 Cl32 I16 N32 O46.5056 P16 -","8","2","","Akiyama, Yoshimori; Yamashina, Masahiro; Toyota, Shinji","Azaylide-based gemini amphiphiles displaying unique self-assembling behavior <i>via</i> an even-odd effect of alkyl linker chain length.","Soft matter","2024","20","33","6539","6543","10.1039/d4sm00789a","","","0.75","synchrotron","","0.1877","0.0931","","","0.2728","0.3325","","","","","","1.038","","","","has coordinates,has disorder","294645","2024-09-06","02:09:26",""
"1572248","9.4418","0.0003","17.2643","0.0012","17.542","0.001","78.146","0.005","78.602","0.004","81.396","0.004","2725.5","0.3","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H54 Cl6 N4 O4 P2 -","- C50 H54 Cl6 N4 O4 P2 -","- C100 H108 Cl12 N8 O8 P4 -","2","1","","Akiyama, Yoshimori; Yamashina, Masahiro; Toyota, Shinji","Azaylide-based gemini amphiphiles displaying unique self-assembling behavior <i>via</i> an even-odd effect of alkyl linker chain length.","Soft matter","2024","20","33","6539","6543","10.1039/d4sm00789a","","x-ray","1.54184","CuKα","","0.1725","0.128","","","0.3646","0.3917","","","","","","1.045","","","","has coordinates","294645","2024-09-06","02:09:28",""
"1572249","12.7674","0.0005","17.7058","0.0007","15.0682","0.0006","90","","105.218","0.004","90","","3286.8","0.2","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H47 Cu N O3 P3 -","- C32 H47 Cu N O3 P3 -","- C128 H188 Cu4 N4 O12 P12 -","4","1","","Arévalo, Alma; Juárez-Francisco, Enrique; Roa, Diego A.; Flores-Alamo, Marcos; García, Juventino J.","New mononuclear Cu(i) compounds: synthesis, characterization, and application to the electroreduction of CO2","Catalysis Science & Technology","2024","14","18","5394","5404","10.1039/D4CY00759J","","","0.71073","MoKα","","0.0722","0.0539","","","0.1289","0.1436","","","","","","1.036","","","","has coordinates","295086","2024-10-06","04:16:16",""
"1572250","10.4119","0.0011","15.363","0.002","18.5644","0.0017","90","","90","","90","","2969.5","0.6","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H39 Cu N O3 P3 -","- C28 H39 Cu N O3 P3 -","- C112 H156 Cu4 N4 O12 P12 -","4","1","","Arévalo, Alma; Juárez-Francisco, Enrique; Roa, Diego A.; Flores-Alamo, Marcos; García, Juventino J.","New mononuclear Cu(i) compounds: synthesis, characterization, and application to the electroreduction of CO2","Catalysis Science & Technology","2024","14","18","5394","5404","10.1039/D4CY00759J","","","0.71073","MoKα","","0.0934","0.0535","","","0.0674","0.0821","","","","","","1.088","","","","has coordinates","295086","2024-10-06","04:16:30",""
"1572251","8.6246","0.0007","9.3841","0.0006","17.1248","0.001","91.601","0.005","97.997","0.006","100.216","0.006","1348.77","0.16","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H36 Cu Fe N O3 P2 -","- C22 H36 Cu Fe N O3 P2 -","- C44 H72 Cu2 Fe2 N2 O6 P4 -","2","1","","Arévalo, Alma; Juárez-Francisco, Enrique; Roa, Diego A.; Flores-Alamo, Marcos; García, Juventino J.","New mononuclear Cu(i) compounds: synthesis, characterization, and application to the electroreduction of CO2","Catalysis Science & Technology","2024","14","18","5394","5404","10.1039/D4CY00759J","","","0.71073","MoKα","","0.0512","0.0335","","","0.0646","0.0722","","","","","","1.032","","","","has coordinates","295086","2024-10-06","04:16:30",""
"1572252","11.487","0.004","16.971","0.004","22.1","0.006","70.281","0.019","86.57","0.02","84.97","0.02","4038","2","100","","100","","","","","","","","","5","P -1","-P 1","2","","tetrakis(tetrahydrofuran)lithium tetrakis(o-tolyl)vanadate","","- C44 H59.5 Li O4 V -","- C44 H59.5 Li O4 V -","- C176 H238 Li4 O16 V4 -","4","2","","Laorenza, Daniel W.; Mullin, Kathleen R.; Weiss, Leah R.; Bayliss, Sam L.; Deb, Pratiti; Awschalom, David D.; Rondinelli, James M.; Freedman, Danna E.","Coherent spin-control of <i>S</i> = 1 vanadium and molybdenum complexes.","Chemical science","2024","15","34","14016","14026","10.1039/d4sc03107e","","x-ray","1.54186","CuKα","","0.0899","0.0589","","","0.1615","0.1799","","","","","","1.019","","","","has coordinates,has disorder","294500","2024-09-06","00:00:05",""
"1572253","11.849","0.0002","11.849","0.0002","7.8931","0.0003","90","","90","","90","","1108.18","0.05","100","","100","","","","","","","","","3","P -4 21 c","P -4 2n","114","","tetra(o-tolyl)molybdenum","","- C28 H28 Mo -","- C28 H28 Mo -","- C56 H56 Mo2 -","2","0.25","","Laorenza, Daniel W.; Mullin, Kathleen R.; Weiss, Leah R.; Bayliss, Sam L.; Deb, Pratiti; Awschalom, David D.; Rondinelli, James M.; Freedman, Danna E.","Coherent spin-control of <i>S</i> = 1 vanadium and molybdenum complexes.","Chemical science","2024","15","34","14016","14026","10.1039/d4sc03107e","","","0.71073","MoKα","","0.0505","0.0365","","","0.0843","0.0917","","","","","","1.127","","","","has coordinates","294500","2024-09-06","00:00:05",""
"1572254","10.4242","0.0013","21.275","0.002","20.498","0.003","90","","104.574","0.01","90","","4399.7","1","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(12-crown-4)lithium tetrakis(trimethylsilylmethyl)aluminate","","- C32 H76 Al Li O8 Si4 -","- C32 H76 Al Li O8 Si4 -","- C128 H304 Al4 Li4 O32 Si16 -","4","1","","Laorenza, Daniel W.; Mullin, Kathleen R.; Weiss, Leah R.; Bayliss, Sam L.; Deb, Pratiti; Awschalom, David D.; Rondinelli, James M.; Freedman, Danna E.","Coherent spin-control of <i>S</i> = 1 vanadium and molybdenum complexes.","Chemical science","2024","15","34","14016","14026","10.1039/d4sc03107e","","x-ray","1.54186","CuKα","","0.0463","0.0271","","","0.0584","0.0632","","","","","","0.892","","","","has coordinates","294500","2024-09-06","00:00:05",""
"1572255","10.4055","0.0002","21.3852","0.0003","20.4877","0.0004","90","","104.167","0.002","90","","4420.34","0.14","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(12-crown-4)lithium tetrakis(trimethylsilylmethyl)vanadate","","- C32 H76 Li O8 Si4 V -","- C32 H76 Li O8 Si4 V -","- C128 H304 Li4 O32 Si16 V4 -","4","1","","Laorenza, Daniel W.; Mullin, Kathleen R.; Weiss, Leah R.; Bayliss, Sam L.; Deb, Pratiti; Awschalom, David D.; Rondinelli, James M.; Freedman, Danna E.","Coherent spin-control of <i>S</i> = 1 vanadium and molybdenum complexes.","Chemical science","2024","15","34","14016","14026","10.1039/d4sc03107e","","x-ray","0.71073","MoKα","","0.0438","0.0322","","","0.0787","0.0828","","","","","","1.058","","","","has coordinates","294500","2024-09-06","00:00:05",""
"1572256","11.461","0.006","16.903","0.011","22.031","0.01","70.41","0.04","86.22","0.04","85.05","0.05","4003","4","100","","100","","","","","","","","","5","P -1","-P 1","2","","tetrakis(tetrahydrofuran)lithium tetrakis(o-tolyl)aluminate","","- C44 H60 Al Li O4 -","- C44 H60 Al Li O4 -","- C176 H240 Al4 Li4 O16 -","4","2","","Laorenza, Daniel W.; Mullin, Kathleen R.; Weiss, Leah R.; Bayliss, Sam L.; Deb, Pratiti; Awschalom, David D.; Rondinelli, James M.; Freedman, Danna E.","Coherent spin-control of <i>S</i> = 1 vanadium and molybdenum complexes.","Chemical science","2024","15","34","14016","14026","10.1039/d4sc03107e","","x-ray","1.54186","CuKα","","0.0861","0.0432","","","0.0949","0.1026","","","","","","0.787","","","","has coordinates,has disorder","294500","2024-09-06","00:00:05",""
"1572257","12.8634","0.0003","23.6728","0.0007","8.7931","0.0003","90","","99.616","0.003","90","","2639.99","0.14","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(S)-(2,3,4,5,6-pentamethylphenyl)(2-phenyl-3-(4-phenylpiperazin-1-yl)cyclopent-1-en-1-yl)methanone","","- C33 H38 N2 O -","- C33 H38 N2 O -","- C132 H152 N8 O4 -","4","1","","Sarkar, Koushik; Behera, Prativa; Roy, Lisa; Maji, Biplab","Manganese catalyzed chemo-selective synthesis of acyl cyclopentenes: a combined experimental and computational investigation.","Chemical science","2024","15","35","14287","14294","10.1039/d4sc02842b","","x-ray","1.54184","CuKα","","0.0521","0.0457","","","0.1164","0.1222","","","","","","1.075","","","","has coordinates","295198","2024-10-06","07:11:46",""
"1572258","9.0547","0.0002","10.15893","0.00015","20.61","0.0003","103.784","0.0013","96.8936","0.0018","92.54","0.0016","1822.69","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","(Z)-3-cyclopropyl-1-(2,3,4,5,6-pentamethylphenyl)-3-phenylprop-2-en-1-one","","- C46 H52 O2 -","- C46 H52 O2 -","- C92 H104 O4 -","2","1","","Sarkar, Koushik; Behera, Prativa; Roy, Lisa; Maji, Biplab","Manganese catalyzed chemo-selective synthesis of acyl cyclopentenes: a combined experimental and computational investigation.","Chemical science","2024","15","35","14287","14294","10.1039/d4sc02842b","","x-ray","1.54184","CuKα","","0.0518","0.0488","","","0.1357","0.1388","","","","","","1.054","","","","has coordinates","295198","2024-10-06","07:11:47",""
"1572259","8.03845","0.00007","13.58231","0.00012","16.53779","0.00014","90","","90","","90","","1805.61","0.03","100.4","0.9","100.4","0.9","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2,3,4,5,6-pentamethylphenyl)(2-phenylcyclopent-1-en-1-yl)methanone","","- C23 H26 O -","- C23 H26 O -","- C92 H104 O4 -","4","1","","Sarkar, Koushik; Behera, Prativa; Roy, Lisa; Maji, Biplab","Manganese catalyzed chemo-selective synthesis of acyl cyclopentenes: a combined experimental and computational investigation.","Chemical science","2024","15","35","14287","14294","10.1039/d4sc02842b","","x-ray","1.54184","CuKα","","0.0366","0.0361","","","0.0965","0.097","","","","","","1.027","","","","has coordinates","295198","2024-10-06","07:11:47",""
"1572260","16.63527","0.00013","10.0528","0.00009","21.90982","0.00017","90","","90","","90","","3664","0.05","99.99","0.1","99.99","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(S)-3-cyclopropyl-1-(2,3,4,5,6-pentamethylphenyl)-3-phenylpropan-1-one","","- C23 H28 O -","- C23 H28 O -","- C184 H224 O8 -","8","1","","Sarkar, Koushik; Behera, Prativa; Roy, Lisa; Maji, Biplab","Manganese catalyzed chemo-selective synthesis of acyl cyclopentenes: a combined experimental and computational investigation.","Chemical science","2024","15","35","14287","14294","10.1039/d4sc02842b","","x-ray","1.54184","CuKα","","0.0474","0.0458","","","0.1261","0.1277","","","","","","1.05","","","","has coordinates","295198","2024-10-06","07:11:47",""
"1572261","14.2175","0.0007","14.873","0.0005","18.6528","0.0007","91.655","0.003","103.113","0.004","95.397","0.003","3819.3","0.3","99.95","0.13","99.95","0.13","","","","","","","","5","P -1","-P 1","2","","","","- C86 H116 I La N2 -","- C86 H116 I La N2 -","- C172 H232 I2 La2 N4 -","2","1","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","0.71073","MoKα","","0.0619","0.0381","","","0.071","0.0804","","","","","","1.024","","","","has coordinates,has disorder","295169","2024-10-06","06:54:35",""
"1572262","22.4535","0.0003","16.0659","0.0002","20.2346","0.0002","90","","106.378","0.0013","90","","7003.14","0.15","99.97","0.1","99.97","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C78 H115 Eu N2 O1.5 -","- C78 H115 Eu N2 O1.5 -","- C312 H460 Eu4 N8 O6 -","4","1","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","1.54184","CuKα","","0.0422","0.0399","","","0.1034","0.1046","","","","","","1.063","","","","has coordinates,has disorder","295169","2024-10-06","06:54:43",""
"1572263","13.3508","0.0001","24.2551","0.0002","21.4353","0.0002","90","","96.728","0.001","90","","6893.48","0.1","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H110 N2 O Sm -","- C76 H110 N2 O Sm -","- C304 H440 N8 O4 Sm4 -","4","1","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","1.54184","CuKα","","0.0454","0.0376","","","0.092","0.0954","","","","","","1.083","","","","has coordinates,has disorder","295169","2024-10-06","06:54:44",""
"1572264","13.2755","0.0002","24.2918","0.0003","21.4153","0.0003","90","","96.7512","0.0015","90","","6858.24","0.17","99.98","0.11","99.98","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H110 La N2 O -","- C76 H110 La N2 O -","- C304 H440 La4 N8 O4 -","4","1","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","1.54184","CuKα","","0.0477","0.0451","","","0.1151","0.1164","","","","","","1.128","","","","has coordinates,has disorder","295169","2024-10-06","06:54:53",""
"1572265","13.8471","0.0003","15.1748","0.0003","19.2531","0.0003","90.1824","0.0014","110.29","0.0017","92.5177","0.0016","3790.18","0.13","99.98","0.11","99.98","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C86 H116 I N2 Tm -","- C86 H116 I N2 Tm -","- C172 H232 I2 N4 Tm2 -","2","1","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","1.54184","CuKα","","0.0398","0.0373","","","0.1018","0.1033","","","","","","1.108","","","","has coordinates,has disorder","295169","2024-10-06","06:55:01",""
"1572266","18.0918","0.0003","16.7202","0.0003","23.1781","0.0004","90","","107.804","0.0019","90","","6675.6","0.2","100.01","0.13","100.01","0.13","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H110 N2 O Y -","- C76 H110 N2 O Y -","- C304 H440 N8 O4 Y4 -","4","0.5","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","1.54184","CuKα","","0.0349","0.033","","","0.0869","0.0879","","","","","","1.091","","","","has coordinates","295169","2024-10-06","06:55:02",""
"1572267","22.4353","0.0002","16.0693","0.0001","20.0264","0.0001","90","","106.494","0.001","90","","6922.81","0.09","99","6","99","6","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C78 H115 N2 O1.5 Yb -","- C78 H115 N2 O1.5 Yb -","- C312 H460 N8 O6 Yb4 -","4","1","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","1.54184","CuKα","","0.0427","0.0413","","","0.1016","0.1022","","","","","","1.13","","","","has coordinates,has disorder","295169","2024-10-06","06:55:11",""
"1572268","12.8855","0.0003","13.5895","0.0004","20.8228","0.0004","75.703","0.002","89.2794","0.0016","62.71","0.002","3118.51","0.15","100.01","0.12","100.01","0.12","","","","","","","","4","P -1","-P 1","2","","","","- C72 H100 N2 Sc -","- C72 H100 N2 Sc -","- C144 H200 N4 Sc2 -","2","1","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","1.54184","CuKα","","0.042","0.0391","","","0.1046","0.1063","","","","","","1.116","","","","has coordinates,has disorder","295169","2024-10-06","06:55:12",""
"1572269","13.7201","0.0003","15.2477","0.0004","19.153","0.0004","89.686","0.002","70.204","0.002","87.286","0.002","3765.56","0.16","100.01","0.13","100.01","0.13","","","","","","","","5","P -1","-P 1","2","","","","- C86 H116 I N2 Sc -","- C86 H116 I N2 Sc -","- C172 H232 I2 N4 Sc2 -","2","1","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","1.54184","CuKα","","0.0328","0.0319","","","0.0883","0.0889","","","","","","1.143","","","","has coordinates,has disorder","295169","2024-10-06","06:55:14",""
"1572270","14.2996","0.0002","15.6187","0.0002","32.542","0.0005","90","","97.0977","0.0013","90","","7212.27","0.18","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H114 I La N2 -","- C78 H114 I La N2 -","- C312 H456 I4 La4 N8 -","4","1","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","0.71073","MoKα","","0.0442","0.0312","","","0.067","0.0705","","","","","","1.045","","","","has coordinates","295169","2024-10-06","06:55:14",""
"1572271","13.8601","0.0004","15.1451","0.0004","19.2635","0.0005","90.423","0.002","110.358","0.002","92.402","0.002","3786.7","0.18","100","0.8","100","0.8","","","","","","","","5","P -1","-P 1","2","","","","- C86 H116 I N2 Y -","- C86 H116 I N2 Y -","- C172 H232 I2 N4 Y2 -","2","1","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","0.71073","MoKα","","0.0663","0.0393","","","0.0807","0.0876","","","","","","1.007","","","","has coordinates,has disorder","295169","2024-10-06","06:55:14",""
"1572272","11.91","0.0001","18.0916","0.0001","29.8982","0.0002","90","","95.943","0.001","90","","6407.57","0.08","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C72 H100 N2 -","- C72 H100 N2 -","- C288 H400 N8 -","4","1","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","1.54184","CuKα","","0.1081","0.0947","","","0.2741","0.2875","","","","","","1.063","","","","has coordinates,has disorder","295169","2024-10-06","06:55:14",""
"1572273","13.1863","0.0002","24.2869","0.0003","21.3806","0.0003","90","","95.8291","0.0015","90","","6811.82","0.16","99.98","0.1","99.98","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H110 N2 O Tm -","- C76 H110 N2 O Tm -","- C304 H440 N8 O4 Tm4 -","4","1","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","1.54184","CuKα","","0.0362","0.0318","","","0.0801","0.0823","","","","","","1.074","","","","has coordinates,has disorder","295169","2024-10-06","06:55:14",""
"1572274","14.7959","0.0001","23.5264","0.0002","19.4313","0.0001","90","","97.291","0.001","90","","6709.23","0.08","100","0.5","100","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C75 H107 I N2 Y -","- C75 H107 I N2 Y -","- C300 H428 I4 N8 Y4 -","4","1","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","1.54184","CuKα","","0.0404","0.0355","","","0.0913","0.0935","","","","","","1.103","","","","has coordinates,has disorder","295169","2024-10-06","06:55:14",""
"1572275","13.845","0.0003","15.1906","0.0003","19.2184","0.0003","90.204","0.0015","110.285","0.0016","92.515","0.0016","3786.81","0.13","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C86 H116 I N2 Yb -","- C86 H116 I N2 Yb -","- C172 H232 I2 N4 Yb2 -","2","1","","MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.","δ-Bonding modulates the electronic structure of formally divalent nd<sup>1</sup> rare earth arene complexes.","Chemical science","2024","15","37","15160","15169","10.1039/d4sc03005b","","x-ray","0.71073","MoKα","","0.0418","0.0295","","","0.0605","0.0637","","","","","","1.019","","","","has coordinates,has disorder","295169","2024-10-06","06:55:14",""
"1572276","13.331","0.004","3.9432","0.0011","16.631","0.005","90","","108.334","0.007","90","","829.9","0.4","100.01","","100.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 B2 Cl2 -","- C22 H14 B2 Cl2 -","- C44 H28 B4 Cl4 -","2","0.5","","Hollister, Kimberly K.; Molino, Andrew; Le, VuongVy V; Jones, Nula; Smith, Wyatt J.; Müller, Peter; Dickie, Diane A.; Wilson, David J. D.; Gilliard, Jr, Robert J","Pentacyclic fused diborepinium ions with carbene- and carbone-mediated deep-blue to red emission.","Chemical science","2024","15","35","14358","14370","10.1039/d4sc03835e","","","0.71073","MoKα","","0.0947","0.0501","","","0.1177","0.1385","","","","","","1.018","","","","has coordinates","295193","2024-10-06","07:09:59",""
"1572277","12.3947","0.0008","12.5964","0.0008","19.1553","0.0012","79.135","0.002","72.923","0.002","89.308","0.002","2804.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","FBP-sIPr cation BARF","","","- C110 H82 B4 Cl4 F47.95 N4 -","- C110 H82 B4 Cl4 F47.952 N4 -","- C110 H82 B4 Cl4 F47.952 N4 -","1","0.5","","Hollister, Kimberly K.; Molino, Andrew; Le, VuongVy V; Jones, Nula; Smith, Wyatt J.; Müller, Peter; Dickie, Diane A.; Wilson, David J. D.; Gilliard, Jr, Robert J","Pentacyclic fused diborepinium ions with carbene- and carbone-mediated deep-blue to red emission.","Chemical science","2024","15","35","14358","14370","10.1039/d4sc03835e","","","0.71073","MoKα","","0.0625","0.0529","","","0.1393","0.1492","","","","","","1.035","","","","has coordinates,has disorder","295193","2024-10-06","07:10:00",""
"1572278","11.2159","0.0011","11.9173","0.0012","15.0102","0.0016","90","","90.326","0.003","90","","2006.3","0.4","99.98","","99.98","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H54 B2 Cl2 N4 -","- C44 H54 B2 Cl2 N4 -","- C88 H108 B4 Cl4 N8 -","2","0.5","","Hollister, Kimberly K.; Molino, Andrew; Le, VuongVy V; Jones, Nula; Smith, Wyatt J.; Müller, Peter; Dickie, Diane A.; Wilson, David J. D.; Gilliard, Jr, Robert J","Pentacyclic fused diborepinium ions with carbene- and carbone-mediated deep-blue to red emission.","Chemical science","2024","15","35","14358","14370","10.1039/d4sc03835e","","x-ray","0.71073","MoKα","","0.0536","0.0386","","","0.0958","0.1038","","","","","","1.028","","","","has coordinates","295193","2024-10-06","07:10:00",""
"1572279","14.964","0.0006","11.9337","0.0005","21.9364","0.0009","90","","101.645","0.003","90","","3836.7","0.3","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C72 H88 B2 Cl4 F12 N4 O8 S4 -","- C72 H88 B2 Cl4 F12 N4 O8 S4 -","- C144 H176 B4 Cl8 F24 N8 O16 S8 -","2","0.5","","Hollister, Kimberly K.; Molino, Andrew; Le, VuongVy V; Jones, Nula; Smith, Wyatt J.; Müller, Peter; Dickie, Diane A.; Wilson, David J. D.; Gilliard, Jr, Robert J","Pentacyclic fused diborepinium ions with carbene- and carbone-mediated deep-blue to red emission.","Chemical science","2024","15","35","14358","14370","10.1039/d4sc03835e","","x-ray","1.54178","CuKα","","0.1015","0.0625","","","0.1482","0.1706","","","","","","1.023","","","","has coordinates","295193","2024-10-06","07:10:00",""
"1572280","10.1202","0.0005","17.0454","0.0008","19.6957","0.0011","95.587","0.004","96.221","0.004","90.244","0.004","3361.1","0.3","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","WJS-5","","","- C159 H180 B4 Cl4 N8 -","- C159 H180 B4 Cl4 N8 -","- C159 H180 B4 Cl4 N8 -","1","0.5","","Hollister, Kimberly K.; Molino, Andrew; Le, VuongVy V; Jones, Nula; Smith, Wyatt J.; Müller, Peter; Dickie, Diane A.; Wilson, David J. D.; Gilliard, Jr, Robert J","Pentacyclic fused diborepinium ions with carbene- and carbone-mediated deep-blue to red emission.","Chemical science","2024","15","35","14358","14370","10.1039/d4sc03835e","","","1.54178","CuKα","","0.0913","0.0561","","","0.1306","0.1507","","","","","","1.008","","","","has coordinates,has disorder","295193","2024-10-06","07:10:00",""
"1572281","24.7297","0.0012","18.7599","0.0008","15.6595","0.0007","90","","97.779","0.002","90","","7198","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H58 B Cl N O2 -","- C41 H58 B Cl N O2 -","- C328 H464 B8 Cl8 N8 O16 -","8","1","","Hollister, Kimberly K.; Molino, Andrew; Le, VuongVy V; Jones, Nula; Smith, Wyatt J.; Müller, Peter; Dickie, Diane A.; Wilson, David J. D.; Gilliard, Jr, Robert J","Pentacyclic fused diborepinium ions with carbene- and carbone-mediated deep-blue to red emission.","Chemical science","2024","15","35","14358","14370","10.1039/d4sc03835e","","x-ray","0.71073","MoKα","K-L~3~","0.0825","0.0611","","","0.1666","0.1917","","","","","","1.05","","","","has coordinates,has disorder","295193","2024-10-06","07:10:00",""
"1572282","11.0428","0.0005","16.5514","0.0008","19.2623","0.0008","77.797","0.002","84.084","0.002","73.633","0.002","3298.1","0.3","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C140 H114 B4 F48 N8 O2 -","- C139.998 H114 B4 F47.994 N8 O2 -","- C139.998 H114 B4 F47.994 N8 O2 -","1","0.5","","Hollister, Kimberly K.; Molino, Andrew; Le, VuongVy V; Jones, Nula; Smith, Wyatt J.; Müller, Peter; Dickie, Diane A.; Wilson, David J. D.; Gilliard, Jr, Robert J","Pentacyclic fused diborepinium ions with carbene- and carbone-mediated deep-blue to red emission.","Chemical science","2024","15","35","14358","14370","10.1039/d4sc03835e","","","0.71073","MoKα","","0.1138","0.0629","","","0.1383","0.1654","","","","","","0.947","","","","has coordinates,has disorder","295193","2024-10-06","07:10:00",""
"1572283","16.7454","0.0005","27.4896","0.0009","21.7003","0.0006","90","","112.131","0.001","90","","9253.2","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","FBP-IPr2+ NTF2","","","- C83.99 H94 B2 Cl8 F11.99 N6 O7.99 S3.99 -","- C83.99 H94 B2 Cl8 F11.97 N5.995 O7.98 S3.99 -","- C335.96 H376 B8 Cl32 F47.88 N23.98 O31.92 S15.96 -","4","1","","Hollister, Kimberly K.; Molino, Andrew; Le, VuongVy V; Jones, Nula; Smith, Wyatt J.; Müller, Peter; Dickie, Diane A.; Wilson, David J. D.; Gilliard, Jr, Robert J","Pentacyclic fused diborepinium ions with carbene- and carbone-mediated deep-blue to red emission.","Chemical science","2024","15","35","14358","14370","10.1039/d4sc03835e","","","0.71073","MoKα","","0.1056","0.0677","","","0.1661","0.1908","","","","","","1.03","","","","has coordinates,has disorder","295193","2024-10-06","07:10:00",""
"1572284","12.5802","0.0015","13.142","0.0016","19.744","0.002","85.418","0.002","79.658","0.002","73.127","0.002","3071.6","0.6","100.03","","100.03","","","","","","","","","5","P -1","-P 1","2","","","","- C65 H54 B2 F24.01 N -","- C65 H54 B2 F24.003 N -","- C130 H108 B4 F48.006 N2 -","2","1","","Hollister, Kimberly K.; Molino, Andrew; Le, VuongVy V; Jones, Nula; Smith, Wyatt J.; Müller, Peter; Dickie, Diane A.; Wilson, David J. D.; Gilliard, Jr, Robert J","Pentacyclic fused diborepinium ions with carbene- and carbone-mediated deep-blue to red emission.","Chemical science","2024","15","35","14358","14370","10.1039/d4sc03835e","","x-ray","0.71073","MoKα","K-L~3~","0.0858","0.0516","","","0.1239","0.144","","","","","","1.021","","","","has coordinates,has disorder","295193","2024-10-06","07:10:00",""
"1572285","13.601","0.003","23.955","0.006","21.06","0.004","90","","96.006","0.006","90","","6824","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","FBP-IPr dication BARF","","","- C142 H114 B4 Cl4 F48.03 N4 -","- C142 H114 B4 Cl4 F47.988 N4 -","- C284 H228 B8 Cl8 F95.976 N8 -","2","0.5","","Hollister, Kimberly K.; Molino, Andrew; Le, VuongVy V; Jones, Nula; Smith, Wyatt J.; Müller, Peter; Dickie, Diane A.; Wilson, David J. D.; Gilliard, Jr, Robert J","Pentacyclic fused diborepinium ions with carbene- and carbone-mediated deep-blue to red emission.","Chemical science","2024","15","35","14358","14370","10.1039/d4sc03835e","","","0.71073","MoKα","","0.1282","0.064","","","0.1207","0.143","","","","","","1.008","","","","has coordinates,has disorder","295193","2024-10-06","07:10:00",""
"1572286","8.9168","0.0004","9.3168","0.0004","18.6398","0.0007","96.753","0.001","92.366","0.001","95.831","0.001","1527.6","0.11","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C50 H58 B2 Cl4 F12 N8 O8 S4 -","- C50 H58 B2 Cl4 F12 N8 O8 S4 -","- C50 H58 B2 Cl4 F12 N8 O8 S4 -","1","0.5","","Hollister, Kimberly K.; Molino, Andrew; Le, VuongVy V; Jones, Nula; Smith, Wyatt J.; Müller, Peter; Dickie, Diane A.; Wilson, David J. D.; Gilliard, Jr, Robert J","Pentacyclic fused diborepinium ions with carbene- and carbone-mediated deep-blue to red emission.","Chemical science","2024","15","35","14358","14370","10.1039/d4sc03835e","","x-ray","0.71073","MoKα","","0.087","0.0809","","","0.2826","0.2909","","","","","","2.583","","","","has coordinates,has disorder","295193","2024-10-06","07:10:00",""
"1572287","13.2079","0.0005","15.4895","0.0006","19.1541","0.0006","80.403","0.001","84.517","0.001","72.088","0.001","3672.4","0.2","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C163 H104 B4 Cl6 F48 P4 -","- C163 H104 B4 Cl6 F48 P4 -","- C163 H104 B4 Cl6 F48 P4 -","1","0.5","","Hollister, Kimberly K.; Molino, Andrew; Le, VuongVy V; Jones, Nula; Smith, Wyatt J.; Müller, Peter; Dickie, Diane A.; Wilson, David J. D.; Gilliard, Jr, Robert J","Pentacyclic fused diborepinium ions with carbene- and carbone-mediated deep-blue to red emission.","Chemical science","2024","15","35","14358","14370","10.1039/d4sc03835e","","x-ray","0.71073","MoKα","","0.0546","0.0473","","","0.1283","0.1342","","","","","","1.0424","","","","has coordinates,has disorder","295193","2024-10-06","07:10:00",""
"1572288","10.3107","0.0002","11.4913","0.0002","15.7802","0.0003","84.206","0.001","88.346","0.002","81.786","0.002","1840.86","0.06","301","","301","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H42 B F5 Mn2 N6 O4 -","- C34 H42 B F5 Mn2 N6 O4 -","- C68 H84 B2 F10 Mn4 N12 O8 -","2","1","","Sugiyama, Junya; Umemoto, Yusuke; Sato, Sota; Yoneda, Ko; Koikawa, Masayuki","Crystal Structures, Magnetic Properties, and Redox Behaviors of Carboxylato-Bridged Mn(II) Complexes with Ditopic Ligands Featuring N3-Coordination Sites","Chemistry","2024","6","4","601","617","10.3390/chemistry6040036","","x-ray","0.71073","MoKα","","0.0355","0.0327","","","0.0892","0.0917","","","","","","1.053","","","","has coordinates,has disorder","293960","2024-08-06","01:17:43",""
"1572289","24.719","0.005","20.878","0.005","18.209","0.004","90","","97.229","0.004","90","","9323","4","113","","113","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C152 H210 F36 Mn8 N24 O42 P6 -","- C152 H210 F36 Mn8 N24 O42 P6 -","- C304 H420 F72 Mn16 N48 O84 P12 -","2","0.5","","Sugiyama, Junya; Umemoto, Yusuke; Sato, Sota; Yoneda, Ko; Koikawa, Masayuki","Crystal Structures, Magnetic Properties, and Redox Behaviors of Carboxylato-Bridged Mn(II) Complexes with Ditopic Ligands Featuring N3-Coordination Sites","Chemistry","2024","6","4","601","617","10.3390/chemistry6040036","","x-ray","0.71075","MoKα","","0.0805","0.0581","","","0.1459","0.1644","","","","","","1.074","","","","has coordinates,has disorder","293961","2024-08-06","01:18:03",""
"1572290","9.257","0.002","18.174","0.004","19.196","0.004","99.904","0.003","101.628","0.004","96.449","0.004","3079.7","1.1","113","","113","","","","","","","","","6","P -1","-P 1","2","","Mn4_tpon2","","- C136 H162 B2 Mn4 N12 O15 -","- C136 H162 B2 Mn4 N12 O15 -","- C136 H162 B2 Mn4 N12 O15 -","1","0.5","","Sugiyama, Junya; Umemoto, Yusuke; Sato, Sota; Yoneda, Ko; Koikawa, Masayuki","Crystal Structures, Magnetic Properties, and Redox Behaviors of Carboxylato-Bridged Mn(II) Complexes with Ditopic Ligands Featuring N3-Coordination Sites","Chemistry","2024","6","4","601","617","10.3390/chemistry6040036","","x-ray","0.71075","MoKα","","0.074","0.0582","","","0.1493","0.1673","","","","","","1.044","","","","has coordinates,has disorder","293962","2024-08-06","01:18:17",""
"1572291","24.1786","0.0005","24.1786","0.0005","8.9518","0.0002","90","","90","","120","","4532.14","0.17","","","","","","","","","","","","3","P -3","-P 3","147","","1-(2,4,6-trimethylphenyl)-1-ethanol","","- C11 H16 O -","- C11 H16 O -","- C198 H288 O18 -","18","3","","Iwanek (nee Wilczkowska), Ewa M.; Gliński, Marek","Study of the Influence of the Change from Methyl to Isopropyl Substituents in 1-(2,4,6-trialkylphenyl)ethanol on the Point Group Symmetry of the 0-D Hydrogen-Bonded Moiety","Crystals","2024","14","7","642","","10.3390/cryst14070642","","","","","","0.095","","","","","","","","","","","","","","","has coordinates","293964","2024-08-06","01:49:25",""
"1572292","13.1947","0.0003","13.6034","0.0003","18.7383","0.0006","89.584","0.002","76.961","0.002","86.63","0.002","3270.94","0.15","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H28 O -","- C17 H28 O -","- C136 H224 O8 -","8","4","","Iwanek (nee Wilczkowska), Ewa M.; Gliński, Marek","Study of the Influence of the Change from Methyl to Isopropyl Substituents in 1-(2,4,6-trialkylphenyl)ethanol on the Point Group Symmetry of the 0-D Hydrogen-Bonded Moiety","Crystals","2024","14","7","642","","10.3390/cryst14070642","","","","","","0.099","","","","","","","","","","","","","","","has coordinates","293965","2024-08-06","01:49:42",""
"1572293","5.921","0.001","20.42","0.004","13.5","0.003","90","","93.11","0.03","90","","1629.8","0.6","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 O -","- C17 H26 O -","- C68 H104 O4 -","4","1","","Iwanek (nee Wilczkowska), Ewa M.; Gliński, Marek","Study of the Influence of the Change from Methyl to Isopropyl Substituents in 1-(2,4,6-trialkylphenyl)ethanol on the Point Group Symmetry of the 0-D Hydrogen-Bonded Moiety","Crystals","2024","14","7","642","","10.3390/cryst14070642","","","","","","0.117","","","","","","","","","","","","","","","has coordinates","293966","2024-08-06","01:49:55",""
"1572294","9.3792","0.0003","9.3792","0.0003","15.6549","0.0006","90","","90","","120","","1192.65","0.07","180","2","180","2","","","","","","","","5","P 3 c 1","P 3 -2""c","158","","","","- C21 H24 N O6 P3 -","- C21 H24 N O6 P3 -","- C42 H48 N2 O12 P6 -","2","0.333333","","Knerr, Steven; Brendler, Erica; Gericke, Robert; Kroke, Edwin; Wagler, Jörg","Two Modifications of Nitrilotris(methylenephenylphosphinic) Acid: A Polymeric Network with Intermolecular (O=P–O–H)3 vs. Monomeric Molecules with Intramolecular (O=P–O–H)3 Hydrogen Bond Cyclotrimers","Crystals","2024","14","7","662","","10.3390/cryst14070662","","","0.71073","MoKα","","0.0425","0.0317","","","0.0711","0.0742","","","","","","1.036","","","","has coordinates","293967","2024-08-06","01:50:23",""
"1572295","18.2554","0.0005","18.2554","0.0005","11.4177","0.0003","90","","90","","120","","3295.28","0.15","180","2","180","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C21 H24 N O6 P3 -","- C21 H24 N O6 P3 -","- C126 H144 N6 O36 P18 -","6","0.333333","","Knerr, Steven; Brendler, Erica; Gericke, Robert; Kroke, Edwin; Wagler, Jörg","Two Modifications of Nitrilotris(methylenephenylphosphinic) Acid: A Polymeric Network with Intermolecular (O=P–O–H)3 vs. Monomeric Molecules with Intramolecular (O=P–O–H)3 Hydrogen Bond Cyclotrimers","Crystals","2024","14","7","662","","10.3390/cryst14070662","","","0.71073","MoKα","","0.0243","0.0224","","","0.0602","0.061","","","","","","1.055","","","","has coordinates","293967","2024-08-06","01:50:24",""
"1572296","12.1818","0.0003","12.1818","0.0003","92.431","0.003","90","","90","","120","","11878.8","0.6","160","2","160","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C30 H48 N O6 P3 Si3 -","- C30 H48 N O6 P3 Si3 -","- C360 H576 N12 O72 P36 Si36 -","12","0.666667","","Knerr, Steven; Brendler, Erica; Gericke, Robert; Kroke, Edwin; Wagler, Jörg","Two Modifications of Nitrilotris(methylenephenylphosphinic) Acid: A Polymeric Network with Intermolecular (O=P–O–H)3 vs. Monomeric Molecules with Intramolecular (O=P–O–H)3 Hydrogen Bond Cyclotrimers","Crystals","2024","14","7","662","","10.3390/cryst14070662","","","0.71073","MoKα","","0.055","0.0376","","","0.1017","0.1066","","","","","","1.106","","","","has coordinates","293967","2024-08-06","01:50:24",""
"1572297","7.1146","0.0001","11.2314","0.0002","24.3877","0.0004","90","","90","","90","","1948.75","0.05","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N3 O4 S -","- C18 H25 N3 O4 S -","- C72 H100 N12 O16 S4 -","4","1","","Zhang, Menglong; Hou, Xinyu; Yu, Fuhai; Zhang, Liang; Hou, Baohong; Zhou, Lina; Xie, Chuang; Wu, Songgu; Chen, Wei","Synthesis, Characterization, and Analysis of Probenecid and Pyridine Compound Salts","Crystals","2024","14","7","670","","10.3390/cryst14070670","","x-ray","0.71073","MoKα","","0.0795","0.059","","","0.1144","0.128","","","","","","1.027","","","","has coordinates","293968","2024-08-06","01:50:43",""
"1572298","6.883","0.0001","7.1512","0.0002","43.1607","0.0008","90","","93.68","0.002","90","","2120.06","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 N3 O4 S -","- C20 H29 N3 O4 S -","- C80 H116 N12 O16 S4 -","4","1","","Zhang, Menglong; Hou, Xinyu; Yu, Fuhai; Zhang, Liang; Hou, Baohong; Zhou, Lina; Xie, Chuang; Wu, Songgu; Chen, Wei","Synthesis, Characterization, and Analysis of Probenecid and Pyridine Compound Salts","Crystals","2024","14","7","670","","10.3390/cryst14070670","","x-ray","0.71073","MoKα","","0.0574","0.0534","","","0.1464","0.1496","","","","","","1.1","","","","has coordinates,has disorder","293969","2024-08-06","01:51:03",""
"1572299","4.6654","0.0018","16.142","0.006","18.874","0.007","90","","90","","90","","1421.4","0.9","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ag3 Ce2 Rb Te5 -","- Ag3 Ce2 Rb Te5 -","- Ag12 Ce8 Rb4 Te20 -","4","0.25","","Weinelt, Leander; Steinberg, Simon","Exploring the Nature of Ag–Ag Interactions in Different Tellurides by Means of the Crystal Orbital Bond Index (COBI)","Inorganics","2024","12","7","192","","10.3390/inorganics12070192","","","0.71073","MoKα","","0.0548","0.0386","","","0.0762","0.0832","","","","","","0.995","","","","has coordinates","293970","2024-08-06","05:04:08",""
"1572300","15.2382","0.0005","11.8007","0.0004","14.4932","0.0005","90","","90","","90","","2606.19","0.15","213","2","213","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C14 H14 O4 -","- C14 H14 O4 -","- C112 H112 O32 -","8","1","","Li, Yu-Hao; Cui, Min; Gong, Yi; Xu, Tian-Yi; Tong, Fei","Size Reduction to Enhance Crystal-to-Liquid Phase Transition Induced by E-to-Z Photoisomerization Based on Molecular Crystals of Phenylbutadiene Ester","Materials","2024","17","15","3664","","10.3390/ma17153664","","","0.71073","MoKα","","0.0564","0.0442","","","0.111","0.1225","","","","","","1.024","","","","has coordinates","293972","2024-08-06","10:38:28",""
"1572301","6.0617","0.0002","11.9065","0.0003","14.3836","0.0004","113.136","0.001","99.6","0.001","90.492","0.001","938.11","0.05","150","","150","","","","","","","","","3","P -1","-P 1","2","","(Z)-(4-benzylidene-2-oxabicyclo[4.1.1]octan-6-yl)(naphthalen-2-yl)methanone","","- C25 H22 O2 -","- C25 H22 O2 -","- C50 H44 O4 -","2","1","","Gao, Xin-Yu; Tang, Lei; Zhang, Xu; Feng, Jian-Jun","Palladium-catalyzed decarboxylative (4 + 3) cycloadditions of bicyclobutanes with 2-alkylidenetrimethylene carbonates for the synthesis of 2-oxabicyclo[4.1.1]octanes.","Chemical science","2024","15","34","13942","13948","10.1039/d4sc02998d","","","1.54178","CuKα","","0.0517","0.0355","","","0.093","0.0958","","","","","","1.074","","","","has coordinates","294491","2024-09-05","23:57:25",""
"1572302","16.6654","0.0017","38.187","0.004","29.129","0.003","90","","93.15","0.007","90","","18510","3","193","","193","","","","","","","","3,3',6,6'-tetrabromo-9,9'-bicarbazole","4","I 1 2/a 1","-I 2ya","15","BC-4Np","6,6',6'',6'''-([9,9'-bicarbazole]-3,3',6,6'-tetrayl)tetrakis(benzo[cd]indol-2(1H)-one)","","- C68 H36 N6 O4 -","- C68 H36 N6 O4 -","- C816 H432 N72 O48 -","12","1.5","","Xia, Guomin; Zhou, Chunlei; Xiao, Xingliang; Yang, Yang; Yu, Fuqing; Wang, Hongming","Self-correcting mismatches in metastable hydrogen-bonded organic frameworks with an 11-fold interpenetrated array.","Chemical science","2024","15","35","14336","14343","10.1039/d4sc02751e","","x-ray","1.34139","GaKα","","0.2026","0.1469","","","0.3193","0.3485","","","","","","1.163","","","","has coordinates","295197","2024-10-06","07:11:27",""
"1572303","11.685","0.003","30.037","0.008","16.64","0.004","90","","109.381","0.008","90","","5509","2","150","","150","","","","","","","","3,3',6,6'-tetrabromo-9,9'-bicarbazole","4","C 1 2/c 1","-C 2yc","15","BC-4Np","6,6',6'',6'''-([9,9'-bicarbazole]-3,3',6,6'-tetrayl)tetrakis(benzo[cd]indol-2(1H)-one)","","- C68 H36 N6 O4 -","- C68 H36 N6 O4 -","- C272 H144 N24 O16 -","4","0.5","","Xia, Guomin; Zhou, Chunlei; Xiao, Xingliang; Yang, Yang; Yu, Fuqing; Wang, Hongming","Self-correcting mismatches in metastable hydrogen-bonded organic frameworks with an 11-fold interpenetrated array.","Chemical science","2024","15","35","14336","14343","10.1039/d4sc02751e","","","1.34139","GaKα","","0.0882","0.0636","","","0.1858","0.2019","","","","","","1.073","","","","has coordinates","295197","2024-10-06","07:11:29",""
"1572304","11.6021","0.0019","30.046","0.004","16.575","0.002","90","","108.819","0.009","90","","5469.1","1.4","193","","193","","","","","","","","3,3',6,6'-tetrabromo-9,9'-bicarbazole","4","C 1 2/c 1","-C 2yc","15","BC-4Np","6,6',6'',6'''-([9,9'-bicarbazole]-3,3',6,6'-tetrayl)tetrakis(benzo[cd]indol-2(1H)-one)","","- C70 H40 N6 O4 -","- C70 H40 N6 O4 -","- C280 H160 N24 O16 -","4","0.5","","Xia, Guomin; Zhou, Chunlei; Xiao, Xingliang; Yang, Yang; Yu, Fuqing; Wang, Hongming","Self-correcting mismatches in metastable hydrogen-bonded organic frameworks with an 11-fold interpenetrated array.","Chemical science","2024","15","35","14336","14343","10.1039/d4sc02751e","","x-ray","1.34139","GaKα","","0.174","0.1105","","","0.2831","0.3232","","","","","","1.053","","","","has coordinates,has disorder","295197","2024-10-06","07:11:29",""
"1572305","11.729","0.003","30.677","0.009","16.645","0.004","90","","109.751","0.01","90","","5637","3","275","","275","","","","","","","","3,3',6,6'-tetrabromo-9,9'-bicarbazole","4","C 1 2/c 1","-C 2yc","15","BC-4Np","6,6',6'',6'''-([9,9'-bicarbazole]-3,3',6,6'-tetrayl)tetrakis(benzo[cd]indol-2(1H)-one)","","- C143 H86 N12 O8 -","- C143 H86 N12 O8 -","- C286 H172 N24 O16 -","2","0.25","","Xia, Guomin; Zhou, Chunlei; Xiao, Xingliang; Yang, Yang; Yu, Fuqing; Wang, Hongming","Self-correcting mismatches in metastable hydrogen-bonded organic frameworks with an 11-fold interpenetrated array.","Chemical science","2024","15","35","14336","14343","10.1039/d4sc02751e","","x-ray","1.34139","GaKα","","0.1183","0.0942","","","0.2587","0.2843","","","","","","1.013","","","","has coordinates,has disorder","295197","2024-10-06","07:11:29",""
"1572306","14.7698","0.0007","6.673","0.0003","26.2392","0.0012","90","","102.231","0.005","90","","2527.4","0.2","305","","305","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[(2-Phenylethyl)amino]benzoic acid","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C120 H120 N8 O16 -","8","2","HB4476","Zhang, Kexin; Long, Sihui","4-[(2-Phenylethyl)amino]benzoic acid","IUCrData","2024","9","8","","","10.1107/S2414314624007533","","x-ray","0.71073","MoKα","","0.0995","0.0582","","","0.1552","0.1754","","","","","","1.034","","","","has coordinates","294022","2024-08-07","02:11:46",""
"1572307","16.4966","0.0006","8.8166","0.0003","18.9475","0.0007","90","","99.265","0.002","90","","2719.85","0.17","110","0.1","110","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","Pinaverium bromide","4-[(2-Bromo-4,5-dimethoxyphenyl)methyl]-4-{2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl}morpholin-4-ium bromide","","- C26 H41 Br2 N O4 -","- C26 H41 Br2 N O4 -","- C104 H164 Br8 N4 O16 -","4","2","BH4086","Rousselin, Yoann; Clavel, Alexandre","Pinaverium bromide","IUCrData","2024","9","8","","","10.1107/S2414314624006539","","x-ray","1.54178","CuKα","","0.0258","0.0251","","","0.0623","0.0627","","","","","","1.039","","","","has coordinates,has disorder","294023","2024-08-07","02:12:11",""
"1572308","10.0564","0.0005","3.9985","0.0002","28.2235","0.0014","90","","97.744","0.005","90","","1124.53","0.1","304.55","0.1","304.55","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-(Benzyloxy)benzoic acid","","- C14 H12 O3 -","- C14 H12 O3 -","- C56 H48 O12 -","4","1","HB4473","Song, Qiuyi; Long, Sihui","Redetermined structure of 4-(benzyloxy)benzoic acid","IUCrData","2024","9","8","","","10.1107/S2414314624007521","","x-ray","0.71073","MoKα","","0.0627","0.0442","","","0.1223","0.1352","","","","","","1.077","","","","has coordinates","294024","2024-08-07","02:12:24",""
"1572309","11.1573","0.0005","15.764","0.0009","20.1788","0.001","77.015","0.005","77.796","0.004","81.704","0.004","3362.7","0.3","150.01","0.19","150.01","0.19","","","","","","","","6","P -1","-P 1","2","","","","- C39 H17 B F10 N2 O2 -","- C39 H17 B F10 N2 O2 -","- C156 H68 B4 F40 N8 O8 -","4","2","","Cao, Yangyang; Xu, Zhenzhen; Zhao, Xinyuqi; Yang, Yong; Liu, Haoran; Wang, Pingyang; Yu, Miao; Li, Hao; Fu, Hongbing","Reversible switching from fluorescence to room temperature phosphorescence amplified by exciton-vibration coupling through pressure-induced tiny packing changes.","Chemical science","2024","15","34","13930","13936","10.1039/d4sc02867h","","x-ray","0.71073","MoKα","","0.0655","0.0449","","","0.1017","0.115","","","","","","1.024","","","","has coordinates","294498","2024-09-05","23:58:59",""
"1572310","10.9213","0.0003","15.6626","0.0004","20.1705","0.0006","77.832","0.002","78.451","0.002","82.208","0.002","3288.74","0.16","99.9","0.3","99.9","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C39 H17 B F10 N2 O2 -","- C39 H17 B F10 N2 O2 -","- C156 H68 B4 F40 N8 O8 -","4","2","","Cao, Yangyang; Xu, Zhenzhen; Zhao, Xinyuqi; Yang, Yong; Liu, Haoran; Wang, Pingyang; Yu, Miao; Li, Hao; Fu, Hongbing","Reversible switching from fluorescence to room temperature phosphorescence amplified by exciton-vibration coupling through pressure-induced tiny packing changes.","Chemical science","2024","15","34","13930","13936","10.1039/d4sc02867h","","x-ray","1.54184","CuKα","","0.1162","0.1055","","","0.2766","0.2805","","","","","","1.1","","","","has coordinates","294498","2024-09-05","23:58:59",""
"1572311","12.9762","0.0002","22.6922","0.0003","26.2336","0.0003","111.513","0.001","96.002","0.001","96.357","0.001","7053.79","0.18","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C72 H142 Cl18 O50 Sn6 Ti10 -","- C72 H142 Cl18 O50 Sn6 Ti10 -","- C144 H284 Cl36 O100 Sn12 Ti20 -","2","1","","Zhao, Hui-Fang; Liu, Fang-Fang; Ding, Qing-Rong; Wang, Di; Zhang, Jian; Zhang, Lei","Modulated assembly and structural diversity of heterometallic Sn–Ti oxo clusters from inorganic tin precursors","Nanoscale","2024","16","35","16451","16457","10.1039/D4NR02644F","","x-ray","1.3405","GaKα","","0.0513","0.0435","","","0.1061","0.1107","","","","","","1.047","","","","has coordinates","295298","2024-10-06","08:55:42",""
"1572312","9.8568","0.0001","16.8341","0.0003","12.5136","0.0002","90","","92.674","0.001","90","","2074.13","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H25 Cl3 O7 Sn Ti -","- C14 H25 Cl3 O7 Sn Ti -","- C56 H100 Cl12 O28 Sn4 Ti4 -","4","1","","Zhao, Hui-Fang; Liu, Fang-Fang; Ding, Qing-Rong; Wang, Di; Zhang, Jian; Zhang, Lei","Modulated assembly and structural diversity of heterometallic Sn–Ti oxo clusters from inorganic tin precursors","Nanoscale","2024","16","35","16451","16457","10.1039/D4NR02644F","","x-ray","1.3405","GaKα","","0.0416","0.0377","","","0.1028","0.1051","","","","","","1.077","","","","has coordinates","295298","2024-10-06","08:55:42",""
"1572313","9.0964","0.0002","9.3132","0.0002","14.5943","0.0003","73.634","0.002","89.391","0.002","67.044","0.002","1085.42","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C15 H27 Cl3 O7 Sn Ti -","- C15 H27 Cl3 O7 Sn Ti -","- C30 H54 Cl6 O14 Sn2 Ti2 -","2","1","","Zhao, Hui-Fang; Liu, Fang-Fang; Ding, Qing-Rong; Wang, Di; Zhang, Jian; Zhang, Lei","Modulated assembly and structural diversity of heterometallic Sn–Ti oxo clusters from inorganic tin precursors","Nanoscale","2024","16","35","16451","16457","10.1039/D4NR02644F","","x-ray","1.3405","GaKα","","0.0247","0.0241","","","0.0612","0.0616","","","","","","1.043","","","","has coordinates","295298","2024-10-06","08:55:42",""
"1572314","15.6031","0.0001","18.1016","0.0002","29.8915","0.0002","90","","96.58","0.001","90","","8386.97","0.12","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H146 Cl18 O50 Sn6 Ti10 -","- C74 H146 Cl18 O50 Sn6 Ti10 -","- C148 H292 Cl36 O100 Sn12 Ti20 -","2","0.5","","Zhao, Hui-Fang; Liu, Fang-Fang; Ding, Qing-Rong; Wang, Di; Zhang, Jian; Zhang, Lei","Modulated assembly and structural diversity of heterometallic Sn–Ti oxo clusters from inorganic tin precursors","Nanoscale","2024","16","35","16451","16457","10.1039/D4NR02644F","","x-ray","1.3405","GaKα","","0.066","0.0584","","","0.169","0.1766","","","","","","1.033","","","","has coordinates,has disorder","295298","2024-10-06","08:55:42",""
"1572315","8.9852","0.0001","18.3443","0.0002","25.5115","0.0002","90","","95.552","0.001","90","","4185.26","0.07","100","0.1","100","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H48 Cl6 O13 Sn2 Ti2 -","- C24 H48 Cl6 O13 Sn2 Ti2 -","- C96 H192 Cl24 O52 Sn8 Ti8 -","4","1","","Zhao, Hui-Fang; Liu, Fang-Fang; Ding, Qing-Rong; Wang, Di; Zhang, Jian; Zhang, Lei","Modulated assembly and structural diversity of heterometallic Sn–Ti oxo clusters from inorganic tin precursors","Nanoscale","2024","16","35","16451","16457","10.1039/D4NR02644F","","x-ray","1.3405","GaKα","","0.0337","0.0333","","","0.089","0.0894","","","","","","1.048","","","","has coordinates","295298","2024-10-06","08:55:42",""
"1572316","12.3168","0.0004","14.0058","0.0004","15.4344","0.0003","110.064","0.002","92.418","0.002","112.772","0.003","2258.45","0.13","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H88 Cl6 O26 Sn2 Ti6 -","- C48 H88 Cl6 O26 Sn2 Ti6 -","- C48 H88 Cl6 O26 Sn2 Ti6 -","1","0.5","","Zhao, Hui-Fang; Liu, Fang-Fang; Ding, Qing-Rong; Wang, Di; Zhang, Jian; Zhang, Lei","Modulated assembly and structural diversity of heterometallic Sn–Ti oxo clusters from inorganic tin precursors","Nanoscale","2024","16","35","16451","16457","10.1039/D4NR02644F","","x-ray","1.3405","GaKα","","0.0687","0.062","","","0.1759","0.1815","","","","","","1.077","","","","has coordinates","295298","2024-10-06","08:55:42",""
"1572317","15.2738","0.0002","23.1167","0.0002","23.1453","0.0002","90","","106.909","0.001","90","","7818.84","0.15","100","0.13","100","0.13","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96 H178 Cl14 O54 Sn6 Ti14 -","- C96 H178 Cl14 O54 Sn6 Ti14 -","- C192 H356 Cl28 O108 Sn12 Ti28 -","2","0.5","","Zhao, Hui-Fang; Liu, Fang-Fang; Ding, Qing-Rong; Wang, Di; Zhang, Jian; Zhang, Lei","Modulated assembly and structural diversity of heterometallic Sn–Ti oxo clusters from inorganic tin precursors","Nanoscale","2024","16","35","16451","16457","10.1039/D4NR02644F","","x-ray","1.3405","GaKα","","0.075","0.0638","","","0.1778","0.1872","","","","","","1.054","","","","has coordinates,has disorder","295298","2024-10-06","08:55:42",""
"1572318","41.7993","0.0002","41.7993","0.0002","41.7993","0.0002","90","","90","","90","","73031","0.6","100","0.17","100","0.17","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- C144 H264 Cl12 O82 Sn8 Ti20 -","- C144 H264 Cl12 O82 Sn8 Ti20 -","- C1728 H3168 Cl144 O984 Sn96 Ti240 -","12","0.25","","Zhao, Hui-Fang; Liu, Fang-Fang; Ding, Qing-Rong; Wang, Di; Zhang, Jian; Zhang, Lei","Modulated assembly and structural diversity of heterometallic Sn–Ti oxo clusters from inorganic tin precursors","Nanoscale","2024","16","35","16451","16457","10.1039/D4NR02644F","","x-ray","1.3405","GaKα","","0.1229","0.0936","","","0.2343","0.262","","","","","","1.045","","","","has coordinates","295298","2024-10-06","08:55:42",""
"1572319","12.3035","0.0004","23.9565","0.0005","12.4053","0.0004","90","","118.757","0.004","90","","3205.5","0.2","100","","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C18 H37 B K3 N6 O57 P2 W11 -","- C18 H29 B K3 N6 O53 P2 W11 -","- C36 H58 B2 K6 N12 O106 P4 W22 -","2","1","","Tsang, Nicole; Kibler, Alexander J.; Argent, Stephen P.; Lam, Hon Wai; Jones, Kieran D.; Newton, Graham N.","Organofunctionalized borotungstate polyoxometalates as tunable photocatalysts for oxidative dimerization of amines.","Chemical science","2024","15","36","14685","14691","10.1039/d4sc03534h","","x-ray","0.6889","synchrotron","","0.051","0.0498","","","0.1167","0.1175","","","","","","1.044","","","","has coordinates,has disorder","295185","2024-10-06","07:03:53",""
"1572320","12.186","","23.1617","0.0001","23.1375","0.0001","90","","97.73","","90","","6471.18","0.04","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C18.88 H33.89 As1.98 B K3 N7 O55.99 W11.01 -","- C18.928 H31.928 As1.976 B K3 N7 O55.737 W11.012 -","- C75.712 H127.712 As7.904 B4 K12 N28 O222.948 W44.048 -","4","1","","Tsang, Nicole; Kibler, Alexander J.; Argent, Stephen P.; Lam, Hon Wai; Jones, Kieran D.; Newton, Graham N.","Organofunctionalized borotungstate polyoxometalates as tunable photocatalysts for oxidative dimerization of amines.","Chemical science","2024","15","36","14685","14691","10.1039/d4sc03534h","","","0.6889","Synchrotron","","0.0443","0.0354","","","0.0746","0.0768","","","","","","1.077","","","","has coordinates,has disorder","295185","2024-10-06","07:03:55",""
"1572321","13.9123","0.0013","14.8656","0.0013","13.084","0.001","90","","90","","90","","2706","0.4","123.15","","123.15","","","","","","","","","7","P m n 21","P 2ac -2","31","","","","- C56 H58 Br Cl6 Li N6 O4 -","- C56 H57 Br Cl6 Li N6 O4 -","- C112 H114 Br2 Cl12 Li2 N12 O8 -","2","0.5","","Heo, Nam Jung; Oh, Ju Hyun; Li, Aimin; Lee, Kyounghoon; He, Qing; Sessler, Jonathan L.; Kim, Sung Kuk","Ion pair extractant selective for LiCl and LiBr.","Chemical science","2024","15","34","13958","13965","10.1039/d4sc03760j","","","0.71073","MoKα","","0.0909","0.0681","","","0.171","0.1889","","","","","","1.027","","","","has coordinates,has disorder","294499","2024-09-05","23:59:08",""
"1572322","9.5403","0.0004","9.8557","0.0006","12.1971","0.0004","97.044","0.004","108.604","0.004","101.577","0.004","1043.07","0.09","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C13 H32 B Bi N2 Si2 -","- C13 H32 B Bi N2 Si2 -","- C26 H64 B2 Bi2 N4 Si4 -","2","1","","Szlosek, Robert; Marquardt, Christian; Hegen, Oliver; Balázs, Gábor; Riesinger, Christoph; Timoshkin, Alexey Y.; Scheer, Manfred","Synthesis of bismuthanyl-substituted monomeric triel hydrides.","Chemical science","2024","15","36","14837","14843","10.1039/d4sc03926b","","x-ray","1.54184","CuKα","","0.0377","0.035","","","0.0891","0.0919","","","","","","1.05","","","","has coordinates","295179","2024-10-06","07:00:14",""
"1572323","19.3792","0.0003","19.2881","0.0002","20.2475","0.0002","90","","90","","90","","7568.27","0.16","122.99","0.1","122.99","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H56 Bi Ga N2 Si2 -","- C33 H56 Bi Ga N2 Si2 -","- C264 H448 Bi8 Ga8 N16 Si16 -","8","1","","Szlosek, Robert; Marquardt, Christian; Hegen, Oliver; Balázs, Gábor; Riesinger, Christoph; Timoshkin, Alexey Y.; Scheer, Manfred","Synthesis of bismuthanyl-substituted monomeric triel hydrides.","Chemical science","2024","15","36","14837","14843","10.1039/d4sc03926b","","x-ray","1.54184","CuKα","","0.0343","0.0323","","","0.0916","0.0929","","","","","","1.071","","","","has coordinates","295179","2024-10-06","07:00:15",""
"1572324","18.0837","0.0003","10.2928","0.0002","40.2707","0.0012","90","","91.9","0.002","90","","7491.5","0.3","123.01","0.1","123.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H56 B Bi N2 Si2 -","- C33 H56 B Bi N2 Si2 -","- C264 H448 B8 Bi8 N16 Si16 -","8","2","","Szlosek, Robert; Marquardt, Christian; Hegen, Oliver; Balázs, Gábor; Riesinger, Christoph; Timoshkin, Alexey Y.; Scheer, Manfred","Synthesis of bismuthanyl-substituted monomeric triel hydrides.","Chemical science","2024","15","36","14837","14843","10.1039/d4sc03926b","","","0.71073","MoKα","","0.0436","0.0362","","","0.0679","0.0696","","","","","","1.168","","","","has coordinates,has disorder","295179","2024-10-06","07:00:15",""
"1572325","7.3161","0.0002","9.8444","0.0002","15.3209","0.0003","90.63","0.001","103.624","0.002","103.085","0.002","1042.14","0.04","123","1","123","1","","","","","","","","6","P -1","-P 1","2","","","","- C13 H30 B Bi N2 Si2 -","- C13 H30 B Bi N2 Si2 -","- C26 H60 B2 Bi2 N4 Si4 -","2","1","","Szlosek, Robert; Marquardt, Christian; Hegen, Oliver; Balázs, Gábor; Riesinger, Christoph; Timoshkin, Alexey Y.; Scheer, Manfred","Synthesis of bismuthanyl-substituted monomeric triel hydrides.","Chemical science","2024","15","36","14837","14843","10.1039/d4sc03926b","","","1.54178","CuKα","","0.0221","0.0202","","","0.0526","0.0532","","","","","","1.09","","","","has coordinates","295179","2024-10-06","07:00:15",""
"1572326","6.4446","0.0002","8.9992","0.0006","11.3593","0.0004","99.016","0.004","92.137","0.003","109.139","0.005","611.91","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C28 H30 Br2 N4 -","- C28 H30 Br2 N4 -","- C28 H30 Br2 N4 -","1","0.5","","Scholes, Abbie M.; Kershaw Cook, Laurence J.; Szczypiński, Filip T; Luzyanin, Konstantin V.; Egleston, Benjamin D.; Greenaway, Rebecca L.; Slater, Anna G.","Dynamic and solid-state behaviour of bromoisotrianglimine.","Chemical science","2024","15","35","14254","14263","10.1039/d4sc04207g","","x-ray","0.71073","MoKα","","0.0398","0.0383","","","0.1227","0.1232","","","","","","1.154","","","","has coordinates","295194","2024-10-06","07:10:44",""
"1572327","23.6941","0.0011","14.3036","0.0007","27.0164","0.0013","90","","101.598","0.004","90","","8969.2","0.8","100.01","0.1","100.01","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C44.1 H49.89 Br3 N6 -","- C44.097 H49.893 Br3 N6 -","- C352.776 H399.144 Br24 N48 -","8","1","","Scholes, Abbie M.; Kershaw Cook, Laurence J.; Szczypiński, Filip T; Luzyanin, Konstantin V.; Egleston, Benjamin D.; Greenaway, Rebecca L.; Slater, Anna G.","Dynamic and solid-state behaviour of bromoisotrianglimine.","Chemical science","2024","15","35","14254","14263","10.1039/d4sc04207g","","x-ray","0.71073","MoKα","","0.1507","0.0942","","","0.2224","0.2449","","","","","","1.027","","","","has coordinates","295194","2024-10-06","07:10:45",""
"1572328","16.345","0.0007","17.4893","0.0006","26.7421","0.0011","90","","90","","90","","7644.6","0.5","100.01","0.11","100.01","0.11","","","","","","","","5","I 21 21 21","I 2b 2c","24","","","","- C76 H100 Br4 N8 O10 -","- C76 H100 Br4 N8 O10 -","- C304 H400 Br16 N32 O40 -","4","0.5","","Scholes, Abbie M.; Kershaw Cook, Laurence J.; Szczypiński, Filip T; Luzyanin, Konstantin V.; Egleston, Benjamin D.; Greenaway, Rebecca L.; Slater, Anna G.","Dynamic and solid-state behaviour of bromoisotrianglimine.","Chemical science","2024","15","35","14254","14263","10.1039/d4sc04207g","","x-ray","0.71073","MoKα","","0.1112","0.0751","","","0.1911","0.209","","","","","","1.04","","","","has coordinates,has disorder","295194","2024-10-06","07:10:45",""
"1572329","31.5459","0.0017","14.3588","0.0003","23.7813","0.0012","90","","123.99","0.008","90","","8931.5","1.1","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42.95 H46.9 Br3 Cl1.9 N6 -","- C42.95 H46.9 Br3 Cl1.9 N6 -","- C343.6 H375.2 Br24 Cl15.2 N48 -","8","1","","Scholes, Abbie M.; Kershaw Cook, Laurence J.; Szczypiński, Filip T; Luzyanin, Konstantin V.; Egleston, Benjamin D.; Greenaway, Rebecca L.; Slater, Anna G.","Dynamic and solid-state behaviour of bromoisotrianglimine.","Chemical science","2024","15","35","14254","14263","10.1039/d4sc04207g","","x-ray","0.71073","MoKα","","0.1053","0.0661","","","0.15","0.1653","","","","","","1.086","","","","has coordinates,has disorder","295194","2024-10-06","07:10:45",""
"1572330","14.8232","0.0007","19.6544","0.001","14.9442","0.0007","90","","92.335","0.002","90","","4350.2","0.4","149.99","","149.99","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43.24 H49.97 Br3 N6 O1.25 -","- C43.244 H49.976 Br3 N6 O1.244 -","- C172.976 H199.904 Br12 N24 O4.976 -","4","2","","Scholes, Abbie M.; Kershaw Cook, Laurence J.; Szczypiński, Filip T; Luzyanin, Konstantin V.; Egleston, Benjamin D.; Greenaway, Rebecca L.; Slater, Anna G.","Dynamic and solid-state behaviour of bromoisotrianglimine.","Chemical science","2024","15","35","14254","14263","10.1039/d4sc04207g","","","0.71073","MoKα","","0.082","0.0546","","","0.1073","0.1204","","","","","","1.04","","","","has coordinates","295194","2024-10-06","07:10:45",""
"1572331","11.0041","0.0002","14.3125","0.0002","15.5247","0.0003","90","","109.692","0.002","90","","2302.09","0.07","100.01","0.11","100.01","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C49 H52.65 Br3 N6 -","- C49 H52.65 Br3 N6 -","- C98 H105.3 Br6 N12 -","2","1","","Scholes, Abbie M.; Kershaw Cook, Laurence J.; Szczypiński, Filip T; Luzyanin, Konstantin V.; Egleston, Benjamin D.; Greenaway, Rebecca L.; Slater, Anna G.","Dynamic and solid-state behaviour of bromoisotrianglimine.","Chemical science","2024","15","35","14254","14263","10.1039/d4sc04207g","","x-ray","0.71073","MoKα","","0.0353","0.0303","","","0.0622","0.0634","","","","","","1.024","","","","has coordinates,has disorder","295194","2024-10-06","07:10:45",""
"1572332","14.8142","0.0003","19.7153","0.0004","14.9459","0.0003","90","","92.298","0.002","90","","4361.68","0.15","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43.26 H50.05 Br3 N6 O1.26 -","- C43.262 H50.048 Br3 N6 O1.262 -","- C173.048 H200.192 Br12 N24 O5.048 -","4","2","","Scholes, Abbie M.; Kershaw Cook, Laurence J.; Szczypiński, Filip T; Luzyanin, Konstantin V.; Egleston, Benjamin D.; Greenaway, Rebecca L.; Slater, Anna G.","Dynamic and solid-state behaviour of bromoisotrianglimine.","Chemical science","2024","15","35","14254","14263","10.1039/d4sc04207g","","x-ray","0.71073","MoKα","","0.0765","0.0467","","","0.0996","0.109","","","","","","1.007","","","","has coordinates","295194","2024-10-06","07:10:45",""
"1572333","11.0644","0.0002","14.2714","0.0002","15.6724","0.0003","90","","109.809","0.002","90","","2328.31","0.08","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C50 H55 Br3 N6 -","- C50 H55 Br3 N6 -","- C100 H110 Br6 N12 -","2","1","","Scholes, Abbie M.; Kershaw Cook, Laurence J.; Szczypiński, Filip T; Luzyanin, Konstantin V.; Egleston, Benjamin D.; Greenaway, Rebecca L.; Slater, Anna G.","Dynamic and solid-state behaviour of bromoisotrianglimine.","Chemical science","2024","15","35","14254","14263","10.1039/d4sc04207g","","x-ray","0.71073","MoKα","","0.032","0.0271","","","0.0529","0.0541","","","","","","1.038","","","","has coordinates,has disorder","295194","2024-10-06","07:10:45",""
"1572334","14.5723","0.0003","18.9659","0.0003","14.9238","0.0002","90","","91.908","0.001","90","","4122.31","0.12","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H45 Br3 N6 -","- C42 H45 Br3 N6 -","- C168 H180 Br12 N24 -","4","2","","Scholes, Abbie M.; Kershaw Cook, Laurence J.; Szczypiński, Filip T; Luzyanin, Konstantin V.; Egleston, Benjamin D.; Greenaway, Rebecca L.; Slater, Anna G.","Dynamic and solid-state behaviour of bromoisotrianglimine.","Chemical science","2024","15","35","14254","14263","10.1039/d4sc04207g","","x-ray","0.71073","MoKα","","0.089","0.0755","","","0.1757","0.1829","","","","","","1.066","","","","has coordinates","295194","2024-10-06","07:10:45",""
"1572335","12.559","0.0004","23.3781","0.0006","16.2798","0.0005","90","","102.547","0.003","90","","4665.7","0.2","100.01","0.13","100.01","0.13","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H48 Br3 N6 O2.29 -","- C42 H48 Br3 N6 O2.285 -","- C168 H192 Br12 N24 O9.14 -","4","2","","Scholes, Abbie M.; Kershaw Cook, Laurence J.; Szczypiński, Filip T; Luzyanin, Konstantin V.; Egleston, Benjamin D.; Greenaway, Rebecca L.; Slater, Anna G.","Dynamic and solid-state behaviour of bromoisotrianglimine.","Chemical science","2024","15","35","14254","14263","10.1039/d4sc04207g","","x-ray","0.71073","MoKα","","0.0763","0.0543","","","0.1315","0.1406","","","","","","1.051","","","","has coordinates","295194","2024-10-06","07:10:45",""
"1572336","14.3243","0.001","11.4688","0.0007","8.7762","0.0008","90","","90","","90","","1441.78","0.19","180","2","180","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H11 Br O4 -","- C16 H11 Br O4 -","- C64 H44 Br4 O16 -","4","1","","Winter, Alena; Hamdi, Farzad; Eichhöfer, Andreas; Saalwächter, Kay; Kastritis, Panagiotis L.; Haase, Frederik","Enhancing structural control in covalent organic frameworks through steric interaction-driven linker design.","Chemical science","2024","15","35","14449","14457","10.1039/d4sc03461a","","x-ray","1.34143","GaKα","GaKα","0.0485","0.0383","","","0.0973","0.102","","","","","","1.031","","","","has coordinates","295199","2024-10-06","07:11:55",""
"1572337","9.9945","0.0016","10.1084","0.0012","11.4916","0.0015","82.539","0.01","73.454","0.011","76.36","0.011","1079.1","0.3","180","","180","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H22 N2 O2 -","- C28 H22 N2 O2 -","- C56 H44 N4 O4 -","2","1","","Winter, Alena; Hamdi, Farzad; Eichhöfer, Andreas; Saalwächter, Kay; Kastritis, Panagiotis L.; Haase, Frederik","Enhancing structural control in covalent organic frameworks through steric interaction-driven linker design.","Chemical science","2024","15","35","14449","14457","10.1039/d4sc03461a","","x-ray","0.71073","MoKα","","0.1826","0.1171","","","0.2769","0.3287","","","","","","0.973","","","","has coordinates","295199","2024-10-06","07:11:56",""
"1572338","12.74441","0.00007","14.35189","0.00009","14.07101","0.00007","90","","94.028","0.0005","90","","2567.32","0.02","173","0.1","173","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H78 K2 O8 Zn2 -","- C44 H78 K2 O8 Zn2 -","- C88 H156 K4 O16 Zn4 -","2","0.5","","Judge, Neil R.; Hevia, Eva","Combining two relatively weak bases (Zn(TMP)<sub>2</sub> and KO<i>t</i>Bu) for the regioselective metalation of non-activated arenes and heteroarenes.","Chemical science","2024","15","36","14757","14765","10.1039/d4sc03892d","","x-ray","1.54184","CuKα","","0.029","0.0286","","","0.0784","0.0788","","","","","","1.049","","","","has coordinates,has disorder","295180","2024-10-06","07:00:48",""
"1572339","18.2697","0.0003","17.0018","0.0003","20.8902","0.0003","90","","112.777","0.0018","90","","5982.85","0.19","173.01","0.1","173.01","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C52 H82 K2 O8 Zn2 -","- C52 H82 K2 O8 Zn2 -","- C208 H328 K8 O32 Zn8 -","4","0.5","","Judge, Neil R.; Hevia, Eva","Combining two relatively weak bases (Zn(TMP)<sub>2</sub> and KO<i>t</i>Bu) for the regioselective metalation of non-activated arenes and heteroarenes.","Chemical science","2024","15","36","14757","14765","10.1039/d4sc03892d","","x-ray","1.54184","CuKα","","0.0691","0.0625","","","0.1977","0.2066","","","","","","1.062","","","","has coordinates","295180","2024-10-06","07:00:50",""
"1572340","18.3733","0.0003","15.7455","0.0003","18.5165","0.0003","90","","90","","90","","5356.76","0.16","100","0.2","100","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H76 K2 N2 O10 Zn2 -","- C46 H76 K2 N2 O10 Zn2 -","- C184 H304 K8 N8 O40 Zn8 -","4","0.5","","Judge, Neil R.; Hevia, Eva","Combining two relatively weak bases (Zn(TMP)<sub>2</sub> and KO<i>t</i>Bu) for the regioselective metalation of non-activated arenes and heteroarenes.","Chemical science","2024","15","36","14757","14765","10.1039/d4sc03892d","","x-ray","1.54184","CuKα","","0.0525","0.0473","","","0.1317","0.1367","","","","","","1.077","","","","has coordinates,has disorder","295180","2024-10-06","07:00:50",""
"1572341","10.92429","0.00016","11.04872","0.00016","13.15156","0.00019","112.469","0.0014","92.8879","0.0012","107.798","0.0013","1371.22","0.04","173.01","0.1","173.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C42 H92 K2 N6 O4 Zn2 -","- C42 H92 K2 N6 O4 Zn2 -","- C42 H92 K2 N6 O4 Zn2 -","1","0.5","","Judge, Neil R.; Hevia, Eva","Combining two relatively weak bases (Zn(TMP)<sub>2</sub> and KO<i>t</i>Bu) for the regioselective metalation of non-activated arenes and heteroarenes.","Chemical science","2024","15","36","14757","14765","10.1039/d4sc03892d","","x-ray","1.54184","CuKα","","0.0215","0.0213","","","0.0562","0.0564","","","","","","1.074","","","","has coordinates,has disorder","295180","2024-10-06","07:00:50",""
"1572342","15.08965","0.00017","26.6881","0.0003","18.63986","0.00019","90","","102.261","0.001","90","","7335.32","0.14","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H56 K2 O4 Zn -","- C34 H56 K2 O4 Zn -","- C272 H448 K16 O32 Zn8 -","8","2","","Judge, Neil R.; Hevia, Eva","Combining two relatively weak bases (Zn(TMP)<sub>2</sub> and KO<i>t</i>Bu) for the regioselective metalation of non-activated arenes and heteroarenes.","Chemical science","2024","15","36","14757","14765","10.1039/d4sc03892d","","x-ray","0.71073","MoKα","","0.0691","0.0475","","","0.1172","0.1269","","","","","","1.015","","","","has coordinates,has disorder","295180","2024-10-06","07:00:50",""
"1572343","45.143","0.003","10.329","0.0004","25.339","0.0007","90","","98.908","0.004","90","","11672.6","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C53.98 H79.93 N2 O9 -","- C54.012 H81.048 N2 O9 -","- C432.096 H648.384 N16 O72 -","8","1","","Li, Anquan; Du, Zhenglin; Zhang, Shilong; Xie, Jialin; Li, Xia; Chen, Qing; Tang, Yisong; Chen, Jiawen; Zhu, Kelong","A compact chemically driven [2]catenane rotary motor operated through alternate pumping and discharging.","Chemical science","2024","15","36","14721","14725","10.1039/d4sc04292a","","","1.54178","CuKα","","0.1137","0.0862","","","0.2221","0.2444","","","","","","1.03","","","","has coordinates,has disorder","295183","2024-10-06","07:03:03",""
"1572344","9.6885","0.0006","16.4051","0.0011","29.993","0.002","90","","96.342","0.002","90","","4737.9","0.5","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","LAQ-X","","- C184 H276 B4 F16 N8 O28 -","- C184 H276 B4 F16 N8 O28 -","- C184 H276 B4 F16 N8 O28 -","1","0.25","","Li, Anquan; Du, Zhenglin; Zhang, Shilong; Xie, Jialin; Li, Xia; Chen, Qing; Tang, Yisong; Chen, Jiawen; Zhu, Kelong","A compact chemically driven [2]catenane rotary motor operated through alternate pumping and discharging.","Chemical science","2024","15","36","14721","14725","10.1039/d4sc04292a","","","0.71073","MoKα","","0.1372","0.081","","","0.2045","0.2438","","","","","","1.034","","","","has coordinates","295183","2024-10-06","07:03:05",""
"1572345","19.6838","0.0004","10.2976","0.0002","6.7242","0.0002","90","","94.821","0.002","90","","1358.15","0.06","240","","240","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F2 K N3 O Pd -","- C13 H6 F2 K N3 O Pd -","- C52 H24 F8 K4 N12 O4 Pd4 -","4","1","","Saito, Tomoya; Yoshida, Masaki; Segawa, Kaito; Saito, Daisuke; Takayama, Junichi; Hiura, Satoshi; Murayama, Akihiro; Lakshan, Nishshanka M.; Sameera, W. M. C.; Kobayashi, Atsushi; Kato, Masako","Thermo-responsive emission induced by different delocalized excited-states in isomorphous Pd(ii) and Pt(ii) one-dimensional chains.","Chemical science","2024","15","35","14497","14505","10.1039/d4sc04497e","","x-ray","1.54184","CuKα","","0.0775","0.0765","","","0.173","0.1732","","","","","","1.184","","","","has coordinates,has disorder","295191","2024-10-06","07:07:01",""
"1572346","19.6862","0.0009","10.2795","0.0005","6.6908","0.0003","90","","94.908","0.004","90","","1349.01","0.11","180","","180","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F2 K N3 O Pd -","- C13 H6 F2 K N3 O Pd -","- C52 H24 F8 K4 N12 O4 Pd4 -","4","1","","Saito, Tomoya; Yoshida, Masaki; Segawa, Kaito; Saito, Daisuke; Takayama, Junichi; Hiura, Satoshi; Murayama, Akihiro; Lakshan, Nishshanka M.; Sameera, W. M. C.; Kobayashi, Atsushi; Kato, Masako","Thermo-responsive emission induced by different delocalized excited-states in isomorphous Pd(ii) and Pt(ii) one-dimensional chains.","Chemical science","2024","15","35","14497","14505","10.1039/d4sc04497e","","x-ray","1.54184","CuKα","","0.0912","0.0883","","","0.1966","0.1976","","","","","","1.244","","","","has coordinates,has disorder","295191","2024-10-06","07:07:02",""
"1572347","19.6881","0.0009","10.2653","0.0004","6.6697","0.0003","90","","94.868","0.004","90","","1343.11","0.1","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F2 K N3 O Pd -","- C13 H6 F2 K N3 O Pd -","- C52 H24 F8 K4 N12 O4 Pd4 -","4","1","","Saito, Tomoya; Yoshida, Masaki; Segawa, Kaito; Saito, Daisuke; Takayama, Junichi; Hiura, Satoshi; Murayama, Akihiro; Lakshan, Nishshanka M.; Sameera, W. M. C.; Kobayashi, Atsushi; Kato, Masako","Thermo-responsive emission induced by different delocalized excited-states in isomorphous Pd(ii) and Pt(ii) one-dimensional chains.","Chemical science","2024","15","35","14497","14505","10.1039/d4sc04497e","","x-ray","1.54184","CuKα","","0.097","0.0943","","","0.2113","0.2122","","","","","","1.206","","","","has coordinates,has disorder","295191","2024-10-06","07:07:02",""
"1572348","19.8227","0.0006","10.2337","0.0003","6.6671","0.0002","90","","94.869","0.003","90","","1347.6","0.07","240","","240","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F2 K N3 O Pt -","- C13 H6 F2 K N3 O Pt -","- C52 H24 F8 K4 N12 O4 Pt4 -","4","1","","Saito, Tomoya; Yoshida, Masaki; Segawa, Kaito; Saito, Daisuke; Takayama, Junichi; Hiura, Satoshi; Murayama, Akihiro; Lakshan, Nishshanka M.; Sameera, W. M. C.; Kobayashi, Atsushi; Kato, Masako","Thermo-responsive emission induced by different delocalized excited-states in isomorphous Pd(ii) and Pt(ii) one-dimensional chains.","Chemical science","2024","15","35","14497","14505","10.1039/d4sc04497e","","x-ray","1.54184","CuKα","","0.0671","0.0644","","","0.1452","0.1462","","","","","","1.13","","","","has coordinates,has disorder","295191","2024-10-06","07:07:02",""
"1572349","19.8302","0.0014","10.2203","0.0005","6.6472","0.0004","90","","94.829","0.006","90","","1342.41","0.14","210","","210","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F2 K N3 O Pt -","- C13 H6 F2 K N3 O Pt -","- C52 H24 F8 K4 N12 O4 Pt4 -","4","1","","Saito, Tomoya; Yoshida, Masaki; Segawa, Kaito; Saito, Daisuke; Takayama, Junichi; Hiura, Satoshi; Murayama, Akihiro; Lakshan, Nishshanka M.; Sameera, W. M. C.; Kobayashi, Atsushi; Kato, Masako","Thermo-responsive emission induced by different delocalized excited-states in isomorphous Pd(ii) and Pt(ii) one-dimensional chains.","Chemical science","2024","15","35","14497","14505","10.1039/d4sc04497e","","x-ray","1.54184","CuKα","","0.0729","0.0678","","","0.1503","0.1521","","","","","","1.116","","","","has coordinates,has disorder","295191","2024-10-06","07:07:02",""
"1572350","19.6749","0.0007","10.2964","0.0004","6.7069","0.0002","90","","94.967","0.003","90","","1353.59","0.08","210","","210","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F2 K N3 O Pd -","- C13 H6 F2 K N3 O Pd -","- C52 H24 F8 K4 N12 O4 Pd4 -","4","1","","Saito, Tomoya; Yoshida, Masaki; Segawa, Kaito; Saito, Daisuke; Takayama, Junichi; Hiura, Satoshi; Murayama, Akihiro; Lakshan, Nishshanka M.; Sameera, W. M. C.; Kobayashi, Atsushi; Kato, Masako","Thermo-responsive emission induced by different delocalized excited-states in isomorphous Pd(ii) and Pt(ii) one-dimensional chains.","Chemical science","2024","15","35","14497","14505","10.1039/d4sc04497e","","x-ray","1.54184","CuKα","","0.0864","0.084","","","0.1898","0.1905","","","","","","1.213","","","","has coordinates,has disorder","295191","2024-10-06","07:07:02",""
"1572351","19.8291","0.0014","10.1978","0.0007","6.5967","0.0004","90","","94.736","0.007","90","","1329.39","0.15","130","","130","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F2 K N3 O Pt -","- C13 H6 F2 K N3 O Pt -","- C52 H24 F8 K4 N12 O4 Pt4 -","4","1","","Saito, Tomoya; Yoshida, Masaki; Segawa, Kaito; Saito, Daisuke; Takayama, Junichi; Hiura, Satoshi; Murayama, Akihiro; Lakshan, Nishshanka M.; Sameera, W. M. C.; Kobayashi, Atsushi; Kato, Masako","Thermo-responsive emission induced by different delocalized excited-states in isomorphous Pd(ii) and Pt(ii) one-dimensional chains.","Chemical science","2024","15","35","14497","14505","10.1039/d4sc04497e","","x-ray","1.54184","CuKα","","0.0908","0.0852","","","0.2055","0.208","","","","","","1.104","","","","has coordinates,has disorder","295191","2024-10-06","07:07:02",""
"1572352","19.6899","0.0011","10.2547","0.0005","6.6369","0.0003","90","","94.829","0.005","90","","1335.33","0.12","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F2 K N3 O Pd -","- C13 H6 F2 K N3 O Pd -","- C52 H24 F8 K4 N12 O4 Pd4 -","4","1","","Saito, Tomoya; Yoshida, Masaki; Segawa, Kaito; Saito, Daisuke; Takayama, Junichi; Hiura, Satoshi; Murayama, Akihiro; Lakshan, Nishshanka M.; Sameera, W. M. C.; Kobayashi, Atsushi; Kato, Masako","Thermo-responsive emission induced by different delocalized excited-states in isomorphous Pd(ii) and Pt(ii) one-dimensional chains.","Chemical science","2024","15","35","14497","14505","10.1039/d4sc04497e","","x-ray","1.54184","CuKα","","0.1117","0.1091","","","0.2349","0.2357","","","","","","1.191","","","","has coordinates,has disorder","295191","2024-10-06","07:07:02",""
"1572353","19.8515","0.0006","10.2075","0.0003","6.5701","0.0002","90","","94.71","0.003","90","","1326.83","0.07","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F2 K N3 O Pt -","- C13 H6 F2 K N3 O Pt -","- C52 H24 F8 K4 N12 O4 Pt4 -","4","1","","Saito, Tomoya; Yoshida, Masaki; Segawa, Kaito; Saito, Daisuke; Takayama, Junichi; Hiura, Satoshi; Murayama, Akihiro; Lakshan, Nishshanka M.; Sameera, W. M. C.; Kobayashi, Atsushi; Kato, Masako","Thermo-responsive emission induced by different delocalized excited-states in isomorphous Pd(ii) and Pt(ii) one-dimensional chains.","Chemical science","2024","15","35","14497","14505","10.1039/d4sc04497e","","x-ray","1.54184","CuKα","","0.0814","0.079","","","0.1568","0.1576","","","","","","1.118","","","","has coordinates,has disorder","295191","2024-10-06","07:07:02",""
"1572354","19.8126","0.0014","10.2058","0.0008","6.607","0.0004","90","","94.742","0.007","90","","1331.39","0.16","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F2 K N3 O Pt -","- C13 H6 F2 K N3 O Pt -","- C52 H24 F8 K4 N12 O4 Pt4 -","4","1","","Saito, Tomoya; Yoshida, Masaki; Segawa, Kaito; Saito, Daisuke; Takayama, Junichi; Hiura, Satoshi; Murayama, Akihiro; Lakshan, Nishshanka M.; Sameera, W. M. C.; Kobayashi, Atsushi; Kato, Masako","Thermo-responsive emission induced by different delocalized excited-states in isomorphous Pd(ii) and Pt(ii) one-dimensional chains.","Chemical science","2024","15","35","14497","14505","10.1039/d4sc04497e","","x-ray","1.54184","CuKα","","0.099","0.0828","","","0.229","0.2385","","","","","","1.088","","","","has coordinates,has disorder","295191","2024-10-06","07:07:02",""
"1572355","19.8407","0.0012","10.2132","0.0006","6.6271","0.0004","90","","94.798","0.005","90","","1338.19","0.14","180","","180","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F2 K N3 O Pt -","- C13 H6 F2 K N3 O Pt -","- C52 H24 F8 K4 N12 O4 Pt4 -","4","1","","Saito, Tomoya; Yoshida, Masaki; Segawa, Kaito; Saito, Daisuke; Takayama, Junichi; Hiura, Satoshi; Murayama, Akihiro; Lakshan, Nishshanka M.; Sameera, W. M. C.; Kobayashi, Atsushi; Kato, Masako","Thermo-responsive emission induced by different delocalized excited-states in isomorphous Pd(ii) and Pt(ii) one-dimensional chains.","Chemical science","2024","15","35","14497","14505","10.1039/d4sc04497e","","x-ray","1.54184","CuKα","","0.0789","0.074","","","0.1702","0.1722","","","","","","1.076","","","","has coordinates,has disorder","295191","2024-10-06","07:07:02",""
"1572356","19.6867","0.0009","10.2626","0.0004","6.6569","0.0003","90","","94.892","0.004","90","","1340.04","0.1","130","","130","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F2 K N3 O Pd -","- C13 H6 F2 K N3 O Pd -","- C52 H24 F8 K4 N12 O4 Pd4 -","4","1","","Saito, Tomoya; Yoshida, Masaki; Segawa, Kaito; Saito, Daisuke; Takayama, Junichi; Hiura, Satoshi; Murayama, Akihiro; Lakshan, Nishshanka M.; Sameera, W. M. C.; Kobayashi, Atsushi; Kato, Masako","Thermo-responsive emission induced by different delocalized excited-states in isomorphous Pd(ii) and Pt(ii) one-dimensional chains.","Chemical science","2024","15","35","14497","14505","10.1039/d4sc04497e","","x-ray","1.54184","CuKα","","0.1005","0.0982","","","0.2182","0.2189","","","","","","1.22","","","","has coordinates,has disorder","295191","2024-10-06","07:07:02",""
"1572357","10.4032","0.0001","18.8988","0.0003","14.8277","0.0002","90","","101.382","0.001","90","","2857.91","0.07","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diisobutylammonium triphenyl(2-thiolatoacetato-κ^2^<i>O</i>,<i>S</i>)stannate(IV)","","- C28 H37 N O2 S Sn -","- C28 H37 N O2 S Sn -","- C112 H148 N4 O8 S4 Sn4 -","4","1","TK4107","Song, Xueqing; Yeibyo, Woldegebriel; Li, William; Pike, Robert D.","Diisobutylammonium triphenyl(2-thiolatoacetato-κ2 O,S)stannate(IV)","IUCrData","2024","9","8","","","10.1107/S2414314624007429","","","1.54178","CuKα","","0.0361","0.0317","","","0.0792","0.0819","","","","","","1.091","","","","has coordinates,has disorder","294108","2024-08-14","02:14:16",""
"1572358","11.4514","0.0005","12.1629","0.0005","12.692","0.0005","67.9946","0.0013","67.3255","0.0014","65.8759","0.0014","1438.34","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Dichloridotetrakis(3-methoxyaniline)nickel(II)","","- C28 H36 Cl2 N4 Ni O4 -","- C28 H36 Cl2 N4 Ni O4 -","- C56 H72 Cl4 N8 Ni2 O8 -","2","1","","Mukda, Benjamin A.; Dickie, Diane A.; Turnbull, Mark M.","Dichloridotetrakis(3-methoxyaniline)nickel(II)","IUCrData","2024","9","8","","","10.1107/S2414314624007764","","","0.71073","MoKα","","0.0722","0.0376","","","0.0765","0.0887","","","","","","1.006","","","","has coordinates","294109","2024-08-14","02:14:32",""
"1572359","5.9131","0.0005","7.8478","0.0006","16.8158","0.0015","90","","90.007","0.006","90","","780.33","0.11","293","","293","","","","","","","","'from Grosses Chalttal, Glarus, Switzerland'","5","P 1 21/n 1","-P 2yn","14","Heimite","","","- As Cu2 H7 O9 Pb -","- As Cu2 H7 O9 Pb -","- As4 Cu8 H28 O36 Pb4 -","4","1","","Malcherek, Thomas; Mihailova, Boriana; Schlüter, Jochen; Roth, Philippe; Meisser, Nicolas","Heimite, PbCu2(AsO4)(OH)3 ⋅ 2H2O, a new mineral from the Grosses Chalttal deposit, Switzerland","European Journal of Mineralogy","2024","36","1","153","164","10.5194/ejm-36-153-2024","","x-ray","0.71069","MoKα","","0.0359","0.0275","","","0.0736","0.0784","","","","1.16","1.16","1.11","","","","has coordinates","295836","2024-11-08","15:59:30",""
"1572360","13.0272","0.0012","12.4547","0.0008","14.7177","0.0013","90","","114.829","0.011","90","","2167.2","0.4","190","2","190","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 N5 S -","- C26 H19 N5 S -","- C104 H76 N20 S4 -","4","1","","Kaya, Busra; Smith, Henry; Chen, Yanbing; Azad, Mahan Gholam; M Russell, Tiffany; Richardson, Vera; Bernhardt, Paul V.; Dharmasivam, Mahendiran; Richardson, Des R.","Targeting lysosomes by design: novel <i>N</i>-acridine thiosemicarbazones that enable direct detection of intracellular drug localization and overcome P-glycoprotein (Pgp)-mediated resistance.","Chemical science","2024","15","37","15109","15124","10.1039/d4sc04339a","","x-ray","0.71073","MoKα","","0.0698","0.0477","","","0.0965","0.1086","","","","","","1.02","","","","has coordinates","295175","2024-10-06","06:57:44",""
"1572361","8.806","0.0005","9.4077","0.0005","11.8916","0.0006","109.261","0.005","101.174","0.004","101.954","0.004","872.43","0.09","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 N6 S -","- C20 H16 N6 S -","- C40 H32 N12 S2 -","2","1","","Kaya, Busra; Smith, Henry; Chen, Yanbing; Azad, Mahan Gholam; M Russell, Tiffany; Richardson, Vera; Bernhardt, Paul V.; Dharmasivam, Mahendiran; Richardson, Des R.","Targeting lysosomes by design: novel <i>N</i>-acridine thiosemicarbazones that enable direct detection of intracellular drug localization and overcome P-glycoprotein (Pgp)-mediated resistance.","Chemical science","2024","15","37","15109","15124","10.1039/d4sc04339a","","x-ray","1.54184","CuKα","","0.0466","0.0446","","","0.1213","0.1244","","","","","","1.048","","","","has coordinates","295175","2024-10-06","06:57:45",""
"1572362","7.5694","0.0005","8.978","0.0007","18.7562","0.0013","83.796","0.006","89.902","0.006","65.641","0.007","1153.07","0.16","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H21 N7 S -","- C27 H21 N7 S -","- C54 H42 N14 S2 -","2","1","","Kaya, Busra; Smith, Henry; Chen, Yanbing; Azad, Mahan Gholam; M Russell, Tiffany; Richardson, Vera; Bernhardt, Paul V.; Dharmasivam, Mahendiran; Richardson, Des R.","Targeting lysosomes by design: novel <i>N</i>-acridine thiosemicarbazones that enable direct detection of intracellular drug localization and overcome P-glycoprotein (Pgp)-mediated resistance.","Chemical science","2024","15","37","15109","15124","10.1039/d4sc04339a","","x-ray","0.71073","MoKα","","0.0599","0.0464","","","0.1024","0.1113","","","","","","1.037","","","","has coordinates","295175","2024-10-06","06:57:45",""
"1572363","7.6716","0.0004","11.4509","0.0007","15.5455","0.001","102.548","0.005","98.148","0.004","103.294","0.005","1270.6","0.14","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 Cl3 N5 O4 -","- C27 H20 Cl3 N5 O4 -","- C54 H40 Cl6 N10 O8 -","2","1","","Kaya, Busra; Smith, Henry; Chen, Yanbing; Azad, Mahan Gholam; M Russell, Tiffany; Richardson, Vera; Bernhardt, Paul V.; Dharmasivam, Mahendiran; Richardson, Des R.","Targeting lysosomes by design: novel <i>N</i>-acridine thiosemicarbazones that enable direct detection of intracellular drug localization and overcome P-glycoprotein (Pgp)-mediated resistance.","Chemical science","2024","15","37","15109","15124","10.1039/d4sc04339a","","x-ray","1.54184","CuKα","","0.0768","0.0566","","","0.1289","0.1444","","","","","","1.054","","","","has coordinates,has disorder","295175","2024-10-06","06:57:45",""
"1572364","12.7994","0.0005","13.045","0.0005","13.6798","0.0006","100.07","0.002","99.897","0.002","103.258","0.002","2134.75","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H40 N12 O2 S2 Zn -","- C43 H40 N12 O2 S2 Zn -","- C86 H80 N24 O4 S4 Zn2 -","2","1","","Kaya, Busra; Smith, Henry; Chen, Yanbing; Azad, Mahan Gholam; M Russell, Tiffany; Richardson, Vera; Bernhardt, Paul V.; Dharmasivam, Mahendiran; Richardson, Des R.","Targeting lysosomes by design: novel <i>N</i>-acridine thiosemicarbazones that enable direct detection of intracellular drug localization and overcome P-glycoprotein (Pgp)-mediated resistance.","Chemical science","2024","15","37","15109","15124","10.1039/d4sc04339a","","x-ray","1.54184","CuKα","","0.0501","0.0462","","","0.1285","0.1319","","","","","","1.05","","","","has coordinates","295175","2024-10-06","06:57:45",""
"1572365","19.6392","0.0002","19.8263","0.0002","20.3821","0.0002","67.042","0.001","62.657","0.001","75.865","0.001","6470.59","0.13","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C232 H128 Ag19 Cl6 Cu2 F72 P6 -","- C232 H128 Ag19 Cl6 Cu2 F72 P6 -","- C232 H128 Ag19 Cl6 Cu2 F72 P6 -","1","0.5","","Zhu, Xin; Zhu, Pan; Cong, Xuzi; Ma, Guanyu; Tang, Qing; Wang, Likai; Tang, Zhenghua","Atomically precise alkynyl-protected Ag<sub>19</sub>Cu<sub>2</sub> nanoclusters: synthesis, structure analysis, and electrocatalytic CO<sub>2</sub> reduction application.","Nanoscale","2024","16","36","16952","16957","10.1039/d4nr02702g","","x-ray","0.71073","MoKα","","0.1546","0.106","","","0.244","0.2754","","","","","","1.017","","","","has coordinates,has disorder","295297","2024-10-06","08:54:52",""
"1572366","15.35","0.05","13.56","0.07","16.5","0.05","90","","90","","90","","3434","2","80","2","80","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H21 Fe O6 -","- C15 H21 Fe O6 -","- C120 H168 Fe8 O48 -","8","1","","Pacoste, Laura; Ignat'ev, Vladislav Mikhailovich; Dominiak, Paulina Maria; Zou, Xiaodong","On the structure refinement of metal complexes against 3D electron diffraction data using multipolar scattering factors.","IUCrJ","2024","11","5","","","10.1107/S2052252524006730","","","0.01967","synchrotron","","0.2279","0.1936","","","0.4551","0.4737","","","","","","1.2582","","","","has coordinates","294150","2024-08-16","02:25:54",""
"1572367","15.35","0.05","13.56","0.07","16.5","0.05","90","","90","","90","","3434","2","80","2","80","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H21 Fe O6 -","- C15 H21 Fe O6 -","- C120 H168 Fe8 O48 -","8","1","","Pacoste, Laura; Ignat'ev, Vladislav Mikhailovich; Dominiak, Paulina Maria; Zou, Xiaodong","On the structure refinement of metal complexes against 3D electron diffraction data using multipolar scattering factors.","IUCrJ","2024","11","5","","","10.1107/S2052252524006730","","","0.01967","synchrotron","","0.2275","0.1934","","","0.4556","0.4745","","","","","","1.2359","","","","has coordinates","294150","2024-08-16","02:25:56",""
"1572368","15.35","0.05","13.56","0.07","16.5","0.05","90","","90","","90","","3434","2","80","2","80","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H21 Fe O6 -","- C15 H21 Fe O6 -","- C120 H168 Fe8 O48 -","8","1","","Pacoste, Laura; Ignat'ev, Vladislav Mikhailovich; Dominiak, Paulina Maria; Zou, Xiaodong","On the structure refinement of metal complexes against 3D electron diffraction data using multipolar scattering factors.","IUCrJ","2024","11","5","","","10.1107/S2052252524006730","","","0.01967","synchrotron","","0.2379","0.2045","","","0.4712","0.4905","","","","","","1.2336","","","","has coordinates","294150","2024-08-16","02:25:56",""
"1572369","15.35","0.05","13.56","0.07","16.5","0.05","90","","90","","90","","3434","2","80","2","80","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H21 Fe O6 -","- C15 H21 Fe O6 -","- C120 H168 Fe8 O48 -","8","1","","Pacoste, Laura; Ignat'ev, Vladislav Mikhailovich; Dominiak, Paulina Maria; Zou, Xiaodong","On the structure refinement of metal complexes against 3D electron diffraction data using multipolar scattering factors.","IUCrJ","2024","11","5","","","10.1107/S2052252524006730","","","0.01967","synchrotron","","0.2098","0.1746","","","0.4012","0.4211","","","","","","1.0439","","","","has coordinates,has disorder","294150","2024-08-16","02:25:56",""
"1572370","15.35","0.05","13.56","0.07","16.5","0.05","90","","90","","90","","3434","2","80","2","80","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H21 Fe O6 -","- C15 H21 Fe O6 -","- C120 H168 Fe8 O48 -","8","1","","Pacoste, Laura; Ignat'ev, Vladislav Mikhailovich; Dominiak, Paulina Maria; Zou, Xiaodong","On the structure refinement of metal complexes against 3D electron diffraction data using multipolar scattering factors.","IUCrJ","2024","11","5","","","10.1107/S2052252524006730","","","0.01967","synchrotron","","0.2101","0.1749","","","0.4009","0.4208","","","","","","1.044","","","","has coordinates","294150","2024-08-16","02:25:56",""
"1572371","15.19","0.003","13.39","0.003","16.369","0.003","90","","90","","90","","3329.4","1.2","100","2","100.04","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H21 Fe O6 -","- C15 H21 Fe O6 -","- C120 H168 Fe8 O48 -","8","1","","Pacoste, Laura; Ignat'ev, Vladislav Mikhailovich; Dominiak, Paulina Maria; Zou, Xiaodong","On the structure refinement of metal complexes against 3D electron diffraction data using multipolar scattering factors.","IUCrJ","2024","11","5","","","10.1107/S2052252524006730","","","1.54178","CuKα","","0.0305","0.0282","","","0.0801","0.0817","","","","","","1.0413","","","","has coordinates","294150","2024-08-16","02:25:56",""
"1572372","15.1898","0.0003","13.3897","0.0002","16.3685","0.0003","90","","90","","90","","3329.14","0.1","100","2","100.04","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H21 Fe O6 -","- C15 H21 Fe O6 -","- C120 H168 Fe8 O48 -","8","1","","Pacoste, Laura; Ignat'ev, Vladislav Mikhailovich; Dominiak, Paulina Maria; Zou, Xiaodong","On the structure refinement of metal complexes against 3D electron diffraction data using multipolar scattering factors.","IUCrJ","2024","11","5","","","10.1107/S2052252524006730","","","1.54178","CuKα","","0.0243","0.0217","","","0.0533","0.0545","","","","","","1.0437","","","","has coordinates,has disorder","294150","2024-08-16","02:25:56",""
"1572373","15.1898","0.0003","13.3897","0.0002","16.3685","0.0003","90","","90","","90","","3329.14","0.1","100","2","100.04","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H21 Fe O6 -","- C15 H21 Fe O6 -","- C120 H168 Fe8 O48 -","8","1","","Pacoste, Laura; Ignat'ev, Vladislav Mikhailovich; Dominiak, Paulina Maria; Zou, Xiaodong","On the structure refinement of metal complexes against 3D electron diffraction data using multipolar scattering factors.","IUCrJ","2024","11","5","","","10.1107/S2052252524006730","","","1.54178","CuKα","","0.0257","0.0232","","","0.0593","0.0604","","","","","","1.1402","","","","has coordinates","294150","2024-08-16","02:25:56",""
"1572374","10.0029","0.0011","7.3514","0.0005","10.4776","0.0007","90","","102.8","0.007","90","","751.33","0.11","299.15","","299.15","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C2 H9 N3 O3 S -","- C2 H9 N3 O3 S -","- C8 H36 N12 O12 S4 -","4","0.5","","Li, Yang; Chen, Xinglong; Ok, Kang Min","Strategically designed metal-free deep-ultraviolet birefringent crystals with superior optical properties.","Chemical science","2024","15","37","15145","15151","10.1039/d4sc04155k","","","0.71073","MoKα","","0.0775","0.068","","","0.1391","0.143","","","","","","1.2","","","","has coordinates","295165","2024-10-06","06:52:42",""
"1572375","14.3095","0.0003","29.8265","0.0006","32.5209","0.0005","105.679","0.002","94.669","0.002","100.24","0.002","13027.4","0.5","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C720 H320 N80 O4 -","- C720 H320 N80 O4 -","- C720 H320 N80 O4 -","1","0.5","","Shao, Gang; Liu, Yuan-Yuan; Niu, Chuang; Yin, Zheng-Chun; Ye, Shi-Qi; Yao, Yang-Rong; Chen, Muqing; Chen, Jun-Shen; Xia, Xu-Ling; Yang, Shangfeng; Wang, Guan-Wu","Unexpected and divergent mechanosynthesis of furanoid-bridged fullerene dimers C<sub>120</sub>O and C<sub>120</sub>O<sub>2</sub>.","Chemical science","2024","15","36","14899","14904","10.1039/d4sc04167d","","x-ray","1.54184","CuKα","","0.105","0.0839","","","0.2327","0.2603","","","","","","0.844","","","","has coordinates,has disorder","295181","2024-10-06","07:01:19",""
"1572376","14.2723","0.0004","29.9136","0.001","32.5999","0.001","105.97","0.003","94.818","0.002","100.16","0.003","13041.3","0.7","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C720 H320 N80 O2 -","- C720 H320 N80 O2 -","- C720 H320 N80 O2 -","1","0.5","","Shao, Gang; Liu, Yuan-Yuan; Niu, Chuang; Yin, Zheng-Chun; Ye, Shi-Qi; Yao, Yang-Rong; Chen, Muqing; Chen, Jun-Shen; Xia, Xu-Ling; Yang, Shangfeng; Wang, Guan-Wu","Unexpected and divergent mechanosynthesis of furanoid-bridged fullerene dimers C<sub>120</sub>O and C<sub>120</sub>O<sub>2</sub>.","Chemical science","2024","15","36","14899","14904","10.1039/d4sc04167d","","x-ray","1.54184","CuKα","","0.1376","0.0778","","","0.1744","0.2167","","","","","","0.984","","","","has coordinates,has disorder","295181","2024-10-06","07:01:19",""
"1572377","6.6331","0.0003","7.5726","0.0003","24.6985","0.001","90","","97.141","0.004","90","","1230.98","0.09","125","","125","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Methyl 2-[(<i>Z</i>)-5-bromo-2-oxoindolin-3-ylidene]hydrazinecarbodithioate","","- C10 H8 Br N3 O S2 -","- C10 H8 Br N3 O S2 -","- C40 H32 Br4 N12 O4 S8 -","4","1","HB4481","Abdul Manan, Mohd Abdul Fatah; Cordes, David B.; McKay, Aidan P.","Methyl 2-[(Z)-5-bromo-2-oxoindolin-3-ylidene]hydrazinecarbodithioate","IUCrData","2024","9","8","","","10.1107/S2414314624007879","","x-ray","1.54184","CuKα","","0.1143","0.0927","","","0.264","0.2933","","","","","","1.136","","","","has coordinates","294164","2024-08-17","02:04:40",""
"1572378","6.0431","0.0002","26.5905","0.0008","11.6793","0.0003","90","","101.772","0.001","90","","1837.26","0.09","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N O2 -","- C23 H27 N O2 -","- C92 H108 N4 O8 -","4","1","","Hussein, Burhan A.; Maturi, William; Rylands, Mary Kate; Bismillah, Aisha N.; Wen, Yuzhen; Aguilar, Juan A.; Ayub, Rabia; Rankine, Conor D.; McGonigal, Paul R.","Correlated shapeshifting and configurational isomerization.","Chemical science","2024","15","36","14618","14624","10.1039/d4sc03699a","","x-ray","1.54178","CuKα","","0.0343","0.0333","","","0.0763","0.077","","","","","","1.025","","","","has coordinates","295187","2024-10-06","07:04:36",""
"1572379","22.6288","0.0006","14.0186","0.0004","17.8883","0.0005","90","","104.328","0.001","90","","5498.1","0.3","99.23","","99.23","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C52 H53 Cl2 N3 O12 -","- C52 H53 Cl2 N3 O12 -","- C208 H212 Cl8 N12 O48 -","4","0.5","","Lu, Yu; Wang, Song-Meng; He, Sui-Sui; Huang, Qicheng; Zhao, Cheng-Da; Yu, Shan; Jiang, Wei; Yao, Huan; Wang, Li-Li; Yang, Liu-Pan","An <i>endo</i>-functionalized molecular cage for selective potentiometric determination of creatinine.","Chemical science","2024","15","36","14791","14797","10.1039/d4sc04950k","","","1.54178","CuKα","","0.0735","0.0613","","","0.1531","0.1615","","","","","","1.082","","","","has coordinates,has disorder","295186","2024-10-06","07:04:18",""
"1572380","22.161","0.002","14.1881","0.0013","17.9966","0.0017","90","","102.595","0.003","90","","5522.4","0.9","100","","100","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C57 H60 Cl6 O12 -","- C57 H60 Cl6 O12 -","- C228 H240 Cl24 O48 -","4","0.5","","Lu, Yu; Wang, Song-Meng; He, Sui-Sui; Huang, Qicheng; Zhao, Cheng-Da; Yu, Shan; Jiang, Wei; Yao, Huan; Wang, Li-Li; Yang, Liu-Pan","An <i>endo</i>-functionalized molecular cage for selective potentiometric determination of creatinine.","Chemical science","2024","15","36","14791","14797","10.1039/d4sc04950k","","x-ray","1.34139","GaKα","","0.0478","0.0426","","","0.116","0.1204","","","","","","1.061","","","","has coordinates","295186","2024-10-06","07:04:19",""
"1572381","16.193","0.002","34.224","0.005","38.997","0.005","72.855","0.004","84.982","0.003","83.671","0.002","20491","5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C204 H480 Ag66 O68 P34 Rh4 S68 -","- C204 H480 Ag66 O68 P34 Rh4 S68 -","- C408 H960 Ag132 O136 P68 Rh8 S136 -","2","1","","Chiu, Tzu-Hao; Pillay, Michael N.; Wu, Ying-Yann; Niihori, Yoshiki; Negishi, Yuichi; Chen, Jie-Ying; Chen, Yuan Jang; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Controlled aggregation of Pt/PtH/Rh/RhH doped silver superatomic nanoclusters into 16-electron supermolecules.","Chemical science","2024","15","36","14660","14667","10.1039/d4sc02920h","","","0.71073","MoKα","","0.1174","0.0666","","","0.1254","0.1519","","","","","","1.103","","","","has coordinates,has disorder","295188","2024-10-06","07:05:15",""
"1572382","44.382","0.007","17.68","0.003","28.939","0.004","90","","111.569","0.005","90","","21118","6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C102 H238 Ag33 O34 P17 Pt2 S34 -","- C102 H238 Ag33 O34 P17 Pt2 S34 -","- C408 H952 Ag132 O136 P68 Pt8 S136 -","4","0.5","","Chiu, Tzu-Hao; Pillay, Michael N.; Wu, Ying-Yann; Niihori, Yoshiki; Negishi, Yuichi; Chen, Jie-Ying; Chen, Yuan Jang; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Controlled aggregation of Pt/PtH/Rh/RhH doped silver superatomic nanoclusters into 16-electron supermolecules.","Chemical science","2024","15","36","14660","14667","10.1039/d4sc02920h","","","0.71073","MoKα","","0.0448","0.0364","","","0.0733","0.0811","","","","","","1.113","","","","has coordinates,has disorder","295188","2024-10-06","07:05:16",""
"1572383","19.4846","0.0011","20.7482","0.0012","30.0519","0.0017","98.0114","0.0014","102.16","0.0014","116.039","0.0013","10292.6","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C102 H239 Ag32 O34 P17 Pt2 S34 -","- C102 H239 Ag32 O34 P17 Pt2 S34 -","- C204 H478 Ag64 O68 P34 Pt4 S68 -","2","1","","Chiu, Tzu-Hao; Pillay, Michael N.; Wu, Ying-Yann; Niihori, Yoshiki; Negishi, Yuichi; Chen, Jie-Ying; Chen, Yuan Jang; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Controlled aggregation of Pt/PtH/Rh/RhH doped silver superatomic nanoclusters into 16-electron supermolecules.","Chemical science","2024","15","36","14660","14667","10.1039/d4sc02920h","","","0.71073","MoKα","","0.0802","0.0555","","","0.1333","0.1511","","","","","","1.032","","","","has coordinates,has disorder","295188","2024-10-06","07:05:16",""
"1572384","10.33817","0.00007","10.45428","0.00008","14.51868","0.0001","90","","90","","90","","1569.15","0.019","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 O -","- C23 H18 O -","- C92 H72 O4 -","4","1","","Liu, Shuxuan; Zhang, Chaoshen; Han, Zhengyu; Huang, Hai; Sun, Jianwei","Organocatalytic enantio- and diastereoselective assembly of cyclopropane-incorporated polycyclic molecules <i>via</i> isobenzopyrylium ions.","Chemical science","2024","15","37","15274","15279","10.1039/d4sc03746d","","x-ray","1.54184","CuKα","","0.0273","0.0258","","","0.072","0.0865","","","","","","1.174","","","","has coordinates","295177","2024-10-06","06:58:01",""
"1572385","9.9973","0.0004","10.5261","0.0004","15.941","0.0006","89.362","0.003","75.855","0.003","75.243","0.003","1570.66","0.11","100.03","0.1","100.03","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H33 Cl2 Fe N5 O4 -","- C32 H33 Cl2 Fe N5 O4 -","- C64 H66 Cl4 Fe2 N10 O8 -","2","1","","Ge, Jiajia; Chen, Binghui; Gong, Dirong","Catalytic polymerization of isoprene using an ultrahigh active iron(ii) complex with an ortho-modified 1,10-phenanthroline ligand, access to a thermal plastic rubber","Polymer Chemistry","2024","15","37","3751","3762","10.1039/D4PY00576G","","x-ray","1.54184","CuKα","","0.045","0.0421","","","0.1114","0.1131","","","","","","1.036","","","","has coordinates,has disorder","295346","2024-10-06","09:28:25",""
"1572386","15.4848","0.0008","14.4991","0.0007","16.3713","0.0008","90","","118.22","","90","","3238.7","0.3","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H28 Cl2 Fe N4 O4 -","- C38 H28 Cl2 Fe N4 O4 -","- C152 H112 Cl8 Fe4 N16 O16 -","4","1","","Ge, Jiajia; Chen, Binghui; Gong, Dirong","Catalytic polymerization of isoprene using an ultrahigh active iron(ii) complex with an ortho-modified 1,10-phenanthroline ligand, access to a thermal plastic rubber","Polymer Chemistry","2024","15","37","3751","3762","10.1039/D4PY00576G","","","1.54178","CuKα","","0.077","0.0667","","","0.1591","0.17","","","","","","1.015","","","","has coordinates","295346","2024-10-06","09:28:25",""
"1572387","10.8158","0.0002","10.8158","0.0002","27.7228","0.0009","90","","90","","90","","3243.06","0.14","150","","150","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C16 H17 Cl2 Fe N3 -","- C16 H17 Cl2 Fe N3 -","- C128 H136 Cl16 Fe8 N24 -","8","1","","Ge, Jiajia; Chen, Binghui; Gong, Dirong","Catalytic polymerization of isoprene using an ultrahigh active iron(ii) complex with an ortho-modified 1,10-phenanthroline ligand, access to a thermal plastic rubber","Polymer Chemistry","2024","15","37","3751","3762","10.1039/D4PY00576G","","","1.54178","CuKα","","0.0511","0.0486","","","0.1153","0.1164","","","","","","1.038","","","","has coordinates","295346","2024-10-06","09:28:25",""
"1572388","7.337","0.0011","9.4146","0.0015","13.7164","0.0019","80.661","0.012","77.547","0.012","71.66","0.014","873.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H10 Cl2 O6 -","- C20 H10 Cl2 O6 -","- C40 H20 Cl4 O12 -","2","1","","Khatua, Snehadrinarayan; Patra, Sumit Kumar; Rabha, Monosh; Lyngdoh Lyngkhoi, Deikrisha; Gogoi, Jogat; Sen, Bhaskar","A dual state emission luminogen based on the 1,3,3-trimethylindoline and chroman-2,4-dione conjugate for highly selective dual channel detection of cyanide ions","Sensors & Diagnostics","2024","","","","","10.1039/D4SD00155A","","","0.71073","MoKα","","0.1222","0.0885","","","0.2146","0.2439","","","","","","1.019","","","","has coordinates","294209","2024-08-24","01:51:01",""
"1572389","15.848","0.01","6.963","0.004","17.373","0.011","90","","104.891","0.018","90","","1853","2","302","2","302","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C22 H19 N O3 -","- C22 H19 N O3 -","- C88 H76 N4 O12 -","4","0.5","","Khatua, Snehadrinarayan; Patra, Sumit Kumar; Rabha, Monosh; Lyngdoh Lyngkhoi, Deikrisha; Gogoi, Jogat; Sen, Bhaskar","A dual state emission luminogen based on the 1,3,3-trimethylindoline and chroman-2,4-dione conjugate for highly selective dual channel detection of cyanide ions","Sensors & Diagnostics","2024","","","","","10.1039/D4SD00155A","","","0.71073","MoKα","","0.1495","0.0983","","","0.2183","0.2881","","","","","","1.116","","","","has coordinates","294209","2024-08-24","01:51:01",""
"1572390","8.3545","0.0004","10.511","0.0006","11.3187","0.0006","103.653","0.002","95.545","0.002","111.128","0.002","882.64","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 N O3 -","- C22 H19 N O3 -","- C44 H38 N2 O6 -","2","1","","Khatua, Snehadrinarayan; Patra, Sumit Kumar; Rabha, Monosh; Lyngdoh Lyngkhoi, Deikrisha; Gogoi, Jogat; Sen, Bhaskar","A dual state emission luminogen based on the 1,3,3-trimethylindoline and chroman-2,4-dione conjugate for highly selective dual channel detection of cyanide ions","Sensors & Diagnostics","2024","","","","","10.1039/D4SD00155A","","","0.71073","MoKα","","0.0576","0.0482","","","0.1367","0.1461","","","","","","1.064","","","","has coordinates","294209","2024-08-24","01:51:02",""
"1572391","7.0832","0.0019","11.664","0.003","13.43","0.004","98.143","0.012","95.04","0.012","94.764","0.012","1089","0.5","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 N16 O12 -","- C13 H10 N16 O12 -","- C26 H20 N32 O24 -","2","1","","Li, Chengchuang; Zhu, Teng; Tang, Jie; Lei, Caijin; Yu, Guoyang; Yang, Yanqiang; Yang, Hongwei; Xiao, Chuan; Cheng, Guangbin","An advanced furoxan-bridged heat-resistant explosive.","Materials horizons","2024","11","22","5701","5708","10.1039/d4mh00999a","","","1.54178","CuKα","","0.102","0.0597","","","0.1494","0.1794","","","","","","0.954","","","","has coordinates,has disorder","296721","2024-12-06","20:58:07",""
"1572392","6.4781","0.0002","13.5834","0.0003","14.1528","0.0004","71","0.001","81.949","0.002","88.87","0.001","1165.47","0.06","193","","193","","","","","","","","","4","P -1","-P 1","2","","123","","- C15.5 H9.25 N17.75 O10 -","- C15.5 H9.25 N17.75 O10 -","- C31 H18.5 N35.5 O20 -","2","1","","Li, Chengchuang; Zhu, Teng; Tang, Jie; Lei, Caijin; Yu, Guoyang; Yang, Yanqiang; Yang, Hongwei; Xiao, Chuan; Cheng, Guangbin","An advanced furoxan-bridged heat-resistant explosive.","Materials horizons","2024","11","22","5701","5708","10.1039/d4mh00999a","","","1.54178","CuKα","","0.0701","0.0406","","","0.1022","0.1104","","","","","","1.053","","","","has coordinates,has disorder","296721","2024-12-06","20:58:07",""
"1572393","23.6344","0.0006","8.8105","0.0002","18.3794","0.0005","90","","110.356","0.001","90","","3588.15","0.16","193","","193.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C20 H28 N16 O14 S4 -","- C20 H28 N16 O14 S4 -","- C80 H112 N64 O56 S16 -","4","1","","Li, Chengchuang; Zhu, Teng; Tang, Jie; Lei, Caijin; Yu, Guoyang; Yang, Yanqiang; Yang, Hongwei; Xiao, Chuan; Cheng, Guangbin","An advanced furoxan-bridged heat-resistant explosive.","Materials horizons","2024","11","22","5701","5708","10.1039/d4mh00999a","","","1.54178","CuKα","","0.0481","0.0423","","","0.1088","0.1128","","","","","","1.032","","","","has coordinates,has disorder","296721","2024-12-06","20:58:07",""
"1572394","9.2092","0.0011","10.8368","0.0013","14.142","0.0016","105.307","0.004","91.114","0.004","99.187","0.004","1341","0.3","198","","198","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 N16 O14 -","- C16 H20 N16 O14 -","- C32 H40 N32 O28 -","2","1","","Li, Chengchuang; Zhu, Teng; Tang, Jie; Lei, Caijin; Yu, Guoyang; Yang, Yanqiang; Yang, Hongwei; Xiao, Chuan; Cheng, Guangbin","An advanced furoxan-bridged heat-resistant explosive.","Materials horizons","2024","11","22","5701","5708","10.1039/d4mh00999a","","","0.71073","MoKα","","0.1079","0.0626","","","0.1452","0.1751","","","","","","1.057","","","","has coordinates,has disorder","296721","2024-12-06","20:58:08",""
"1572395","16.0839","0.0005","14.224","0.0007","10.1393","0.0003","109.816","0.004","98.398","0.002","85.874","0.003","2158.26","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 Au O P -","- C25 H24 Au O P -","- C100 H96 Au4 O4 P4 -","4","2","LT5070","Jastrzębska, Róża; Poręba, Tomasz; Cova, Federico; Tchoń, Daniel M; Makal, Anna","Structure-property relationship of a complex photoluminescent arylacetylide-gold(I) compound. I: a pressure-induced phase transformation caught in the act.","IUCrJ","2024","11","5","","","10.1107/S2052252524007681","","","0.71073","MoKα","","0.07","0.0396","","","0.0713","0.0816","","","","","","1.029","","","","has coordinates,has disorder","294215","2024-08-24","02:32:52",""
"1572396","15.906","0.007","13.677","0.002","9.7733","0.0014","109.591","0.015","98.2","0.02","86.14","0.03","1982.2","1","293","2","293","2","","","800000","","","Pressurized to 0.8 GPa and measured without additional time for stabilization.","","5","P -1","-P 1","2","","","","- C25 H24 Au O P -","- C25 H24 Au O P -","- C100 H96 Au4 O4 P4 -","4","2","","Jastrzębska, Róża; Poręba, Tomasz; Cova, Federico; Tchoń, Daniel M; Makal, Anna","Structure-property relationship of a complex photoluminescent arylacetylide-gold(I) compound. I: a pressure-induced phase transformation caught in the act.","IUCrJ","2024","11","5","","","10.1107/S2052252524007681","","x-ray","0.41004","synchrotron","","0.3242","0.1229","","","0.2712","0.3677","","","","","","0.914","","","","has coordinates,has disorder","294215","2024-08-24","02:32:53",""
"1572397","16.13","0.04","6.7304","0.0009","18.096","0.003","90","","97.93","0.08","90","","1946","5","293","2","293","2","","","800000","","","Pressurized to 0.8 GPa and left to stabilize over 0.5 hours.","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Au O P -","- C25 H24 Au O P -","- C100 H96 Au4 O4 P4 -","4","1","","Jastrzębska, Róża; Poręba, Tomasz; Cova, Federico; Tchoń, Daniel M; Makal, Anna","Structure-property relationship of a complex photoluminescent arylacetylide-gold(I) compound. I: a pressure-induced phase transformation caught in the act.","IUCrJ","2024","11","5","","","10.1107/S2052252524007681","","x-ray","0.41004","synchrotron","","0.4117","0.1721","","","0.3743","0.4834","","","","","","0.997","","","","has coordinates","294215","2024-08-24","02:32:54",""
"1572398","16.0966","0.0004","6.6284","0.00013","17.9473","0.0014","90","","97.886","0.006","90","","1896.77","0.16","293","2","293","2","","","1100000","50000","","pressurized to 1.1 GPa and left to stabilize over 20 min.","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Au O P -","- C25 H24 Au O P -","- C100 H96 Au4 O4 P4 -","4","1","","Jastrzębska, Róża; Poręba, Tomasz; Cova, Federico; Tchoń, Daniel M; Makal, Anna","Structure-property relationship of a complex photoluminescent arylacetylide-gold(I) compound. I: a pressure-induced phase transformation caught in the act.","IUCrJ","2024","11","5","","","10.1107/S2052252524007681","","","0.41097","synchrotron","","0.0795","0.0554","","","0.1747","0.229","","","","","","1.0247","","","","has coordinates","294215","2024-08-24","02:32:54",""
"1572399","8.5595","0.0002","18.0868","0.0004","18.9345","0.0004","90","","99.522","0.007","90","","2890.94","0.13","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 B Cl5 F N2 O -","- C28 H33 B Cl5 F N2 O -","- C112 H132 B4 Cl20 F4 N8 O4 -","4","1","","Kovács, Benjámin; Földes, Tamás; Szabó, Márk; Dorkó, Éva; Kótai, Bianka; Laczkó, Gergely; Holczbauer, Tamás; Domján, Attila; Pápai, Imre; Soós, Tibor","Illuminating the multiple Lewis acidity of triaryl-boranes <i>via</i> atropisomeric dative adducts.","Chemical science","2024","15","38","15679","15689","10.1039/d4sc00925h","","","0.71075","MoKα","","0.0536","0.0509","","","0.1165","0.118","","","","","","1.195","","","","has coordinates,has disorder","295205","2024-10-06","07:13:30",""
"1572400","10.208","0.002","17.008","0.003","20.085","0.004","90","","91.581","0.006","90","","3485.8","1.2","123","2","123","2","","","","","","","","7","C 1 c 1","C -2yc","9","asymmetrically halogenated triaryl borane structure hydridecomplex","(2-chloro-6-fluorophenyl)bis(2,6-dichlorophenyl)(hydroxy)borate + piperidin-1-ium, +2 piperidine","","- C29 H31 B Cl5 F N2.2 O -","- C29 H31 B Cl5 F N2.2 O -","- C116 H124 B4 Cl20 F4 N8.8 O4 -","4","1","","Kovács, Benjámin; Földes, Tamás; Szabó, Márk; Dorkó, Éva; Kótai, Bianka; Laczkó, Gergely; Holczbauer, Tamás; Domján, Attila; Pápai, Imre; Soós, Tibor","Illuminating the multiple Lewis acidity of triaryl-boranes <i>via</i> atropisomeric dative adducts.","Chemical science","2024","15","38","15679","15689","10.1039/d4sc00925h","","","0.71075","MoKα","","0.1705","0.1116","","","0.2789","0.3163","","","","","","0.994","","","","has coordinates","295205","2024-10-06","07:13:31",""
"1572401","16.53","0.0003","5.9431","0.0001","20.4998","0.0004","90","","110.449","0.001","90","","1886.98","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 N O -","- C25 H23 N O -","- C100 H92 N4 O4 -","4","1","","Wu, Fu-Peng; Lenz, Madina; Suresh, Adhya; Gogoi, Achyut R.; Tyler, Jasper L.; Daniliuc, Constantin G.; Gutierrez, Osvaldo; Glorius, Frank","Nitrogen-to-functionalized carbon atom transmutation of pyridine.","Chemical science","2024","15","37","15205","15211","10.1039/d4sc04413d","","x-ray","1.54178","CuKα","","0.0585","0.0418","","","0.0938","0.103","","","","","","1.049","","","","has coordinates","295168","2024-10-06","06:53:18",""
"1572402","30.9566","0.0005","17.6585","0.0002","8.2176","0.0001","90","","90","","90","","4492.13","0.1","120","0.1","120","0.1","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C32 H26 O4 -","- C32 H26 O4 -","- C256 H208 O32 -","8","0.5","","Amin, Md Khairul; Ye, Chunchun; Pang, Shuhua; Liu, Yuancheng; Taylor, Dominic; Nichol, Gary S.; McKeown, Neil B.","Triptycene-like naphthopleiadene as a readily accessible scaffold for supramolecular and materials chemistry.","Chemical science","2024","15","36","14968","14976","10.1039/d4sc02755h","","x-ray","1.54184","CuKα","","0.0286","0.0282","","","0.072","0.0725","","","","","","1.0588","","","","has coordinates","295182","2024-10-06","07:02:32",""
"1572403","10.4986","0.0005","11.6083","0.0006","12.2425","0.0006","97.683","0.004","106.716","0.004","100.894","0.004","1374.87","0.13","120.01","0.1","120.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C33.5 H26 O5.5 -","- C32 H20 O4 -","- C64 H40 O8 -","2","1","","Amin, Md Khairul; Ye, Chunchun; Pang, Shuhua; Liu, Yuancheng; Taylor, Dominic; Nichol, Gary S.; McKeown, Neil B.","Triptycene-like naphthopleiadene as a readily accessible scaffold for supramolecular and materials chemistry.","Chemical science","2024","15","36","14968","14976","10.1039/d4sc02755h","","x-ray","0.71073","MoKα","","0.0752","0.0598","","","0.1382","0.1457","","","","","","1.034","","","","has coordinates","295182","2024-10-06","07:02:32",""
"1572404","10.0081","0.0003","14.3562","0.0005","14.6779","0.0004","63.466","0.003","75.953","0.002","81.918","0.002","1829.09","0.11","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C46 H26 Cl4 N4 O4 -","- C46 H26 Cl4 N4 O4 -","- C92 H52 Cl8 N8 O8 -","2","1","","Amin, Md Khairul; Ye, Chunchun; Pang, Shuhua; Liu, Yuancheng; Taylor, Dominic; Nichol, Gary S.; McKeown, Neil B.","Triptycene-like naphthopleiadene as a readily accessible scaffold for supramolecular and materials chemistry.","Chemical science","2024","15","36","14968","14976","10.1039/d4sc02755h","","x-ray","0.71073","MoKα","","0.0617","0.0486","","","0.1118","0.1204","","","","","","1.036","","","","has coordinates,has disorder","295182","2024-10-06","07:02:32",""
"1572405","10.5199","0.0002","18.4144","0.0003","13.8648","0.0003","90","","98.763","0.002","90","","2654.5","0.09","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H16 D12 O6 S3 -","- C30 H16 D12 O6 S3 -","- C120 H64 D48 O24 S12 -","4","1","","Amin, Md Khairul; Ye, Chunchun; Pang, Shuhua; Liu, Yuancheng; Taylor, Dominic; Nichol, Gary S.; McKeown, Neil B.","Triptycene-like naphthopleiadene as a readily accessible scaffold for supramolecular and materials chemistry.","Chemical science","2024","15","36","14968","14976","10.1039/d4sc02755h","","x-ray","0.71073","MoKα","","0.0638","0.0572","","","0.1256","0.129","","","","","","1.208","","","","has coordinates,has disorder","295182","2024-10-06","07:02:32",""
"1572406","17.9101","0.0006","8.2287","0.0003","14.3468","0.0005","90","","105.751","0.004","90","","2034.99","0.13","100.01","0.1","100.01","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H22 O4 -","- C30 H22 O4 -","- C120 H88 O16 -","4","0.5","","Amin, Md Khairul; Ye, Chunchun; Pang, Shuhua; Liu, Yuancheng; Taylor, Dominic; Nichol, Gary S.; McKeown, Neil B.","Triptycene-like naphthopleiadene as a readily accessible scaffold for supramolecular and materials chemistry.","Chemical science","2024","15","36","14968","14976","10.1039/d4sc02755h","","x-ray","0.71073","MoKα","","0.0434","0.0331","","","0.0441","0.0465","","","","","","1.0922","","","","has coordinates","295182","2024-10-06","07:02:32",""
"1572407","10.2376","0.0007","10.4837","0.0006","12.0766","0.0007","107.559","0.003","103.934","0.003","103.55","0.003","1131.5","0.13","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C31 H26 O5 -","- C31 H26 O5 -","- C62 H52 O10 -","2","1","","Amin, Md Khairul; Ye, Chunchun; Pang, Shuhua; Liu, Yuancheng; Taylor, Dominic; Nichol, Gary S.; McKeown, Neil B.","Triptycene-like naphthopleiadene as a readily accessible scaffold for supramolecular and materials chemistry.","Chemical science","2024","15","36","14968","14976","10.1039/d4sc02755h","","","0.71073","MoKα","","0.0545","0.0328","","","0.0659","0.0738","","","","","","1.0588","","","","has coordinates","295182","2024-10-06","07:02:32",""
"1572408","14.0655","0.0008","7.6705","0.0005","13.2164","0.0007","90","","90","","90","","1425.91","0.14","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C5 H13 Br4 Cl Ga N -","- C5 H13 Br4 Cl Ga N -","- C20 H52 Br16 Cl4 Ga4 N4 -","4","1","","Wang, Bin; Li, Zhirui; Tang, Zhengxiao; Zhao, Haixia; Long, Lasheng; Zheng, Lansun","Achievement of a giant electromechanical conversion coefficient in a molecule-based ferroelectric.","Chemical science","2024","15","37","15192","15197","10.1039/d4sc04185b","","x-ray","1.54184","CuKα","","0.0761","0.0616","","","0.1592","0.1806","","","","","","1.054","","","","has coordinates,has disorder","295172","2024-10-06","06:56:24",""
"1572409","11.1226","0.0007","15.8329","0.0009","15.9866","0.0009","104.893","0.002","90.229","0.002","96.128","0.002","2703.7","0.3","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H60 B N3 -","- C70 H60 B N3 -","- C140 H120 B2 N6 -","2","1","","Huang, Tingting; Yuan, Li; Lu, Xueying; Qu, Yupei; Qu, Cheng; Xu, Yincai; Zheng, You-Xuan; Wang, Yue","Efficient circularly polarized multiple resonance thermally activated delayed fluorescence from B,N-embedded hetero[8]helicene enantiomers.","Chemical science","2024","15","37","15170","15177","10.1039/d4sc03854a","","","0.71073","MoKα","","0.1271","0.0762","","","0.1967","0.241","","","","","","1.028","","","","has coordinates,has disorder","295178","2024-10-06","06:58:12",""
"1572410","12.5889","0.0011","15.8207","0.0013","12.628","0.0011","90","","94.562","0.002","90","","2507.1","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H36 Cl10 Ga3 -","- C54 H36 Cl10 Ga3 -","- C108 H72 Cl20 Ga6 -","2","1","","Bhattacharjee, Rameswar; McCormack, Megan E.; Zhou, Zheng; Wei, Zheng; Petrukhina, Marina A.; Kertesz, Miklos","A unique trimeric triphenylene radical cation: stacking aggregation, bonding, and stability.","Chemical science","2024","15","37","15221","15231","10.1039/d4sc03774j","","","0.71073","MoKα","","0.0407","0.0315","","","0.0641","0.0674","","","","","","1.034","","","","has coordinates","295176","2024-10-06","06:57:53",""
"1572411","23.198","0.003","23.198","0.003","22.087","0.003","90","","90","","120","","10294","2","77","2","77","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C52 H60 In N3 O28 Rh12 -","- C52 H60 In N3 O28 Rh12 -","- C312 H360 In6 N18 O168 Rh72 -","6","0.166667","","Bussoli, Guido; Boccalini, Alberto; Bortoluzzi, Marco; Cesari, Cristiana; Iapalucci, Maria Carmela; Funaioli, Tiziana; Scorzoni, Giorgia; Zacchini, Stefano; Ruggieri, Silvia; Femoni, Cristina","Atomically precise rhodium-indium carbonyl nanoclusters: synthesis, characterization, crystal structure and electron-sponge features.","Nanoscale","2024","16","38","17852","17867","10.1039/d4nr02922d","","","0.71073","MoKα","","0.1391","0.1351","","","0.2688","0.2704","","","","","","1.376","","","","has coordinates","295300","2024-10-06","08:56:40",""
"1572412","19.5591","0.0011","17.8943","0.001","13.8681","0.0008","90","","90","","90","","4853.8","0.5","77","2","77","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C34 H46 Cl3 In N2 O16 Rh6 -","- C34 H46 Cl3 In N2 O16 Rh6 -","- C136 H184 Cl12 In4 N8 O64 Rh24 -","4","0.5","","Bussoli, Guido; Boccalini, Alberto; Bortoluzzi, Marco; Cesari, Cristiana; Iapalucci, Maria Carmela; Funaioli, Tiziana; Scorzoni, Giorgia; Zacchini, Stefano; Ruggieri, Silvia; Femoni, Cristina","Atomically precise rhodium-indium carbonyl nanoclusters: synthesis, characterization, crystal structure and electron-sponge features.","Nanoscale","2024","16","38","17852","17867","10.1039/d4nr02922d","","","0.71073","MoKα","","0.053","0.045","","","0.0809","0.0838","","","","","","1.204","","","","has coordinates","295300","2024-10-06","08:56:41",""
"1572413","17.3907","0.0018","10.053","0.0011","22.894","0.002","90","","95.836","0.003","90","","3981.8","0.7","76","2","76","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H60 Cl4 In2 N2 O34 Rh12 -","- C54 H60 Cl4 In2 N2 O34 Rh12 -","- C108 H120 Cl8 In4 N4 O68 Rh24 -","2","0.5","","Bussoli, Guido; Boccalini, Alberto; Bortoluzzi, Marco; Cesari, Cristiana; Iapalucci, Maria Carmela; Funaioli, Tiziana; Scorzoni, Giorgia; Zacchini, Stefano; Ruggieri, Silvia; Femoni, Cristina","Atomically precise rhodium-indium carbonyl nanoclusters: synthesis, characterization, crystal structure and electron-sponge features.","Nanoscale","2024","16","38","17852","17867","10.1039/d4nr02922d","","","0.71073","MoKα","","0.0801","0.0611","","","0.1255","0.1326","","","","","","1.144","","","","has coordinates","295300","2024-10-06","08:56:41",""
"1572414","19.6586","0.0011","18.1826","0.001","13.5943","0.0007","90","","90","","90","","4859.2","0.5","77","2","77","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C33 H43 Cl3 In N3 O15 Rh6 -","- C33 H43 Cl3 In N3 O15 Rh6 -","- C132 H172 Cl12 In4 N12 O60 Rh24 -","4","0.5","","Bussoli, Guido; Boccalini, Alberto; Bortoluzzi, Marco; Cesari, Cristiana; Iapalucci, Maria Carmela; Funaioli, Tiziana; Scorzoni, Giorgia; Zacchini, Stefano; Ruggieri, Silvia; Femoni, Cristina","Atomically precise rhodium-indium carbonyl nanoclusters: synthesis, characterization, crystal structure and electron-sponge features.","Nanoscale","2024","16","38","17852","17867","10.1039/d4nr02922d","","","0.71073","MoKα","","0.019","0.0184","","","0.0449","0.0452","","","","","","1.367","","","","has coordinates","295300","2024-10-06","08:56:41",""
"1572415","43.7","0.12","5.19","0.07","33.43","0.07","90","","100.73","0.09","90","","7449","10","87","2","87","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","indomethacin","[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid","","- C19 H16 Cl N O4 -","- C19 H16 Cl N O4 -","- C304 H256 Cl16 N16 O64 -","16","2","OF5005","Leung, Helen W.; Copley, Royston C. B.; Lampronti, Giulio I.; Day, Sarah J.; Saunders, Lucy K.; Johnstone, Duncan N.; Midgley, Paul A.","From formulation to structure: 3D electron diffraction for the structure solution of a new indomethacin polymorph from an amorphous solid dispersion.","IUCrJ","2024","11","5","","","10.1107/S2052252524008121","","","0.0197","electron","","0.3254","0.2822","","","0.6107","0.6347","","","","","","1.165","","","","has coordinates","294272","2024-08-29","02:07:26",""
"1572416","14.4097","0.0015","5.8858","0.0007","21.876","0.003","90","","92.905","0.009","90","","1853","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H50 Cl2 Cu N6 -","- C36 H50 Cl2 Cu N6 -","- C72 H100 Cl4 Cu2 N12 -","2","0.5","","Gillhuber, Sebastian; Holloway, Joshua O.; Mundsinger, Kai; Kammerer, Jochen A.; Harmer, Jeffrey R.; Frisch, Hendrik; Barner-Kowollik, Christopher; Roesky, Peter W.","Visible light photoflow synthesis of a Cu(ii) single-chain polymer nanoparticle catalyst.","Chemical science","2024","15","37","15280","15290","10.1039/d4sc03079f","","x-ray","0.71073","MoKα","","0.0976","0.0511","","","0.11","0.1297","","","","","","1.032","","","","has coordinates","295173","2024-10-06","06:56:34",""
"1572417","6.7744","0.0013","9.1274","0.0019","15.003","0.003","90","","90","","90","","927.7","0.3","150","2","150","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C4 H12 Ag Br2 N -","- C4 H12 Ag Br2 N -","- C16 H48 Ag4 Br8 N4 -","4","0.25","","Hassan, Nahid; Nagaraja, Suneetha; Saha, Sauvik; Tarafder, Kartick; Ballav, Nirmalya","Ultralow thermal conductivity and thermally-deactivated electrical transport in a 1D silver array with alternating δ-bonds.","Chemical science","2024","15","38","15907","15912","10.1039/d4sc04165h","","","0.71073","MoKα","","0.08","0.0769","","","0.1817","0.1837","","","","","","1.107","","","","has coordinates","295200","2024-10-06","07:12:16",""
"1572418","6.797","0.003","9.193","0.005","15.12","0.007","90","","90","","90","","944.8","0.8","340","2","340","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C4 H12 Ag Br2 N -","- C4 H12 Ag Br2 N -","- C16 H48 Ag4 Br8 N4 -","4","0.25","","Hassan, Nahid; Nagaraja, Suneetha; Saha, Sauvik; Tarafder, Kartick; Ballav, Nirmalya","Ultralow thermal conductivity and thermally-deactivated electrical transport in a 1D silver array with alternating δ-bonds.","Chemical science","2024","15","38","15907","15912","10.1039/d4sc04165h","","","0.71073","MoKα","","0.1083","0.0893","","","0.2333","0.2576","","","","","","1.147","","","","has coordinates,has disorder","295200","2024-10-06","07:12:18",""
"1572419","6.7923","0.001","9.1285","0.0016","15.017","0.002","90","","90","","90","","931.1","0.2","298","2","298","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C4 H12 Ag Br2 N -","- C4 H12 Ag Br2 N -","- C16 H48 Ag4 Br8 N4 -","4","0.25","","Hassan, Nahid; Nagaraja, Suneetha; Saha, Sauvik; Tarafder, Kartick; Ballav, Nirmalya","Ultralow thermal conductivity and thermally-deactivated electrical transport in a 1D silver array with alternating δ-bonds.","Chemical science","2024","15","38","15907","15912","10.1039/d4sc04165h","","","0.71073","MoKα","","0.026","0.0234","","","0.0445","0.0454","","","","","","1.085","","","","has coordinates,has disorder","295200","2024-10-06","07:12:18",""
"1572420","19.7827","0.0005","24.1706","0.0007","21.6782","0.0006","90","","103.752","0.002","90","","10068.5","0.5","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46.7 H61.91 Au0.73 Cl3.43 N5 O0.54 Pt -","- C46.704 H61.908 Au0.7275 Cl3.4315 N5 O0.545 Pt -","- C373.632 H495.264 Au5.82 Cl27.452 N40 O4.36 Pt8 -","8","2","","Dietl, Martin C.; Maag, Melina; Ber, Sophia; Rominger, Frank; Rudolph, Matthias; Caligiuri, Isabella; Andele, Pacome K.; Mkhalid, Ibraheem A. I.; Rizzolio, Flavio; Nogara, Pablo A.; Orian, Laura; Scattolin, Thomas; Hashmi, A Stephen K","Comparative study of the antiproliferative activity of heterometallic carbene gold(i)-platinum(ii) and gold(i)-palladium(ii) complexes in cancer cell lines.","Chemical science","2024","15","37","15291","15298","10.1039/d4sc04585h","","","1.54178","CuKα","","0.0916","0.0497","","","0.0951","0.1088","","","","","","1.012","","","","has coordinates,has disorder","295171","2024-10-06","06:56:17",""
"1572421","11.8697","0.0001","14.3822","0.0002","9.9352","0.0001","90","","95.776","0.001","90","","1687.45","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O -","- C22 H21 N O -","- C88 H84 N4 O4 -","4","1","","Gardner, Kristen E.; de Lescure, Louis; Hardy, Melissa A.; Tan, Jin; Sigman, Matthew S.; Paton, Robert S.; Sarpong, Richmond","Modular synthesis of aryl amines from 3-alkynyl-2-pyrones.","Chemical science","2024","15","38","15632","15638","10.1039/d4sc04885g","","x-ray","1.54184","CuKα","","0.0412","0.0384","","","0.097","0.0983","","","","","","1.029","","","","has coordinates","295207","2024-10-06","07:13:56",""
"1572422","9.4696","0.0005","9.4104","0.0004","7.9944","0.0004","90","","113.333","0.002","90","","654.14","0.06","296.15","","296.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C3 H5 N5 O3 Zn -","- C3 H5 N5 O3 Zn -","- C12 H20 N20 O12 Zn4 -","4","1","","Yang, Can; Kang, Yuwei; Wang, Xuefei; Gou, Jie; Xiong, Yi; Zhu, Zece; Chen, Ling; Wu, Qi","N<sub>2</sub>H<sub>4</sub>Zn(HC<sub>3</sub>N<sub>3</sub>O<sub>3</sub>): exceptionally strong second harmonic generation and ultra-long phosphorescence.","Chemical science","2024","15","38","15725","15730","10.1039/d4sc04476b","","","0.71073","MoKα","","0.0175","0.0174","","","0.0468","0.0469","","","","","","1.062","","","","has coordinates","295210","2024-10-06","07:14:38",""
"1572423","43.206","0.008","9.8953","0.0019","25.757","0.005","90","","119.166","0.003","90","","9616","3","183","2","183","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C50 H75 N4 Sc3 -","- C50 H75 N4 Sc3 -","- C400 H600 N32 Sc24 -","8","1","","Queen, Joshua D.; Rajabi, Ahmadreza; Goudzwaard, Quinn E.; Yuan, Qiong; Nguyen, Dang Khoa; Ziller, Joseph W.; Furche, Filipp; Xi, Zhenfeng; Evans, William J.","Dinitrogen reduction chemistry with scandium provides a complex with two side-on (N[double bond, length as m-dash]N)<sup>2-</sup> ligands bound to one metal: (C<sub>5</sub>Me<sub>5</sub>)Sc[(µ-η<sup>2</sup>:η<sup>2</sup>-N<sub>2</sub>)Sc(C<sub>5</sub>Me<sub>5</sub>)<sub>2</sub>]<sub>2</sub>.","Chemical science","2024","15","39","16069","16078","10.1039/d4sc03977g","","","0.71073","MoKα","","0.0802","0.0446","","","0.1063","0.1226","","","","","","1.026","","","","has coordinates","296405","2024-12-06","16:46:48",""
"1572424","8.4652","0.0003","16.6864","0.0005","17.8292","0.0006","63.797","0.003","88.175","0.002","87.697","0.002","2257.53","0.14","179.99","0.1","179.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H38 Cl O Sc -","- C24 H38 Cl O Sc -","- C96 H152 Cl4 O4 Sc4 -","4","2","","Queen, Joshua D.; Rajabi, Ahmadreza; Goudzwaard, Quinn E.; Yuan, Qiong; Nguyen, Dang Khoa; Ziller, Joseph W.; Furche, Filipp; Xi, Zhenfeng; Evans, William J.","Dinitrogen reduction chemistry with scandium provides a complex with two side-on (N[double bond, length as m-dash]N)<sup>2-</sup> ligands bound to one metal: (C<sub>5</sub>Me<sub>5</sub>)Sc[(µ-η<sup>2</sup>:η<sup>2</sup>-N<sub>2</sub>)Sc(C<sub>5</sub>Me<sub>5</sub>)<sub>2</sub>]<sub>2</sub>.","Chemical science","2024","15","39","16069","16078","10.1039/d4sc03977g","","x-ray","0.71073","MoKα","","0.0483","0.0376","","","0.095","0.1","","","","","","1.087","","","","has coordinates","296405","2024-12-06","16:46:50",""
"1572425","11.501","0.0009","11.579","0.0009","18.957","0.0015","82.26","0.004","81.73","0.004","64.75","0.003","2252","0.3","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H66 O7 Sc4 -","- C40 H66 O7 Sc4 -","- C80 H132 O14 Sc8 -","2","1","","Queen, Joshua D.; Rajabi, Ahmadreza; Goudzwaard, Quinn E.; Yuan, Qiong; Nguyen, Dang Khoa; Ziller, Joseph W.; Furche, Filipp; Xi, Zhenfeng; Evans, William J.","Dinitrogen reduction chemistry with scandium provides a complex with two side-on (N[double bond, length as m-dash]N)<sup>2-</sup> ligands bound to one metal: (C<sub>5</sub>Me<sub>5</sub>)Sc[(µ-η<sup>2</sup>:η<sup>2</sup>-N<sub>2</sub>)Sc(C<sub>5</sub>Me<sub>5</sub>)<sub>2</sub>]<sub>2</sub>.","Chemical science","2024","15","39","16069","16078","10.1039/d4sc03977g","","","1.54178","CuKα","","0.0523","0.0469","","","0.1163","0.1212","","","","","","1.084","","","","has coordinates","296405","2024-12-06","16:46:50",""
"1572426","13.4651","0.0009","14.9197","0.001","20.5495","0.0013","90","","90","","90","","4128.3","0.5","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H67 I N2 O Sc2 -","- C40 H67 I N2 O Sc2 -","- C160 H268 I4 N8 O4 Sc8 -","4","1","","Queen, Joshua D.; Rajabi, Ahmadreza; Goudzwaard, Quinn E.; Yuan, Qiong; Nguyen, Dang Khoa; Ziller, Joseph W.; Furche, Filipp; Xi, Zhenfeng; Evans, William J.","Dinitrogen reduction chemistry with scandium provides a complex with two side-on (N[double bond, length as m-dash]N)<sup>2-</sup> ligands bound to one metal: (C<sub>5</sub>Me<sub>5</sub>)Sc[(µ-η<sup>2</sup>:η<sup>2</sup>-N<sub>2</sub>)Sc(C<sub>5</sub>Me<sub>5</sub>)<sub>2</sub>]<sub>2</sub>.","Chemical science","2024","15","39","16069","16078","10.1039/d4sc03977g","","","0.71073","MoKα","","0.0366","0.0327","","","0.0869","0.0889","","","","","","1.073","","","","has coordinates,has disorder","296405","2024-12-06","16:46:50",""
"1572427","10.9904","0.0015","11.3937","0.0016","14.908","0.002","90","","90","","90","","1866.8","0.4","133","2","133","2","","","","","","","","4","I 2 2 2","I 2 2","23","","","","- C40 H60 N2 Sc2 -","- C40 H60 N2 Sc2 -","- C80 H120 N4 Sc4 -","2","0.25","","Queen, Joshua D.; Rajabi, Ahmadreza; Goudzwaard, Quinn E.; Yuan, Qiong; Nguyen, Dang Khoa; Ziller, Joseph W.; Furche, Filipp; Xi, Zhenfeng; Evans, William J.","Dinitrogen reduction chemistry with scandium provides a complex with two side-on (N[double bond, length as m-dash]N)<sup>2-</sup> ligands bound to one metal: (C<sub>5</sub>Me<sub>5</sub>)Sc[(µ-η<sup>2</sup>:η<sup>2</sup>-N<sub>2</sub>)Sc(C<sub>5</sub>Me<sub>5</sub>)<sub>2</sub>]<sub>2</sub>.","Chemical science","2024","15","39","16069","16078","10.1039/d4sc03977g","","","0.71073","MoKα","","0.0563","0.0458","","","0.1071","0.1123","","","","","","1.058","","","","has coordinates,has disorder","296405","2024-12-06","16:46:50",""
"1572428","8.393","0.0005","11.1477","0.0007","20.9045","0.0011","90","","90","","90","","1955.9","0.2","179.99","0.1","179.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 Cl Sc -","- C20 H30 Cl Sc -","- C80 H120 Cl4 Sc4 -","4","1","","Queen, Joshua D.; Rajabi, Ahmadreza; Goudzwaard, Quinn E.; Yuan, Qiong; Nguyen, Dang Khoa; Ziller, Joseph W.; Furche, Filipp; Xi, Zhenfeng; Evans, William J.","Dinitrogen reduction chemistry with scandium provides a complex with two side-on (N[double bond, length as m-dash]N)<sup>2-</sup> ligands bound to one metal: (C<sub>5</sub>Me<sub>5</sub>)Sc[(µ-η<sup>2</sup>:η<sup>2</sup>-N<sub>2</sub>)Sc(C<sub>5</sub>Me<sub>5</sub>)<sub>2</sub>]<sub>2</sub>.","Chemical science","2024","15","39","16069","16078","10.1039/d4sc03977g","","x-ray","0.71073","MoKα","","0.0484","0.0407","","","0.1023","0.1063","","","","","","1.051","","","","has coordinates","296405","2024-12-06","16:46:50",""
"1572429","7.375","0.0007","21.731","0.002","14.3104","0.0013","90","","90.31","0.003","90","","2293.4","0.4","100","2","100","","","","","","","","","7","I 1 2/c 1","-I 2yc","15","","","","- C38 H28 Fe2 N12 O8 Pd2 S4 -","- C38 H28 Fe2 N12 O8 Pd2 S4 -","- C76 H56 Fe4 N24 O16 Pd4 S8 -","2","0.25","","Paul, Abhik; Kosaka, Wataru; Kumar, Bhart; Mondal, Dibya Jyoti; Miyasaka, Hitoshi; Konar, Sanjit","CO<sub>2</sub>-actuated spin transition tuning in an interdigitated Hofmann-type coordination polymer.","Chemical science","2024","15","38","15610","15616","10.1039/d4sc04266b","","","0.71073","MoKα","","0.0468","0.0466","","","0.1222","0.1224","","","","","","1.185","","","","has coordinates","295204","2024-10-06","07:13:14",""
"1572430","10.52","0.04","14.31","0.07","14.38","0.06","82.65","0.09","74.13","0.11","72.38","0.08","1982","15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H60 O2 W -","- C47 H60 O2 W -","- C94 H120 O4 W2 -","2","1","","Hurst, Javier M.; Yadav, Rinku; Boeck, Parker T.; Ghiviriga, Ion; Brantley, ChristiAnna L; Dobrzycki, Łukasz; Veige, Adam S.","Snapshot of cyclooctyne ring-opening to a tethered alkylidene cyclic polymer catalyst.","Chemical science","2024","15","38","15873","15879","10.1039/d4sc04411h","","","0.71073","MoKα","","0.0348","0.0264","","","0.0513","0.0536","","","","","","1.02","","","","has coordinates","295212","2024-10-06","07:15:19",""
"1572431","10.8411","0.0003","16.8936","0.0005","20.2912","0.0005","90","","99.748","0.001","90","","3662.58","0.17","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H56 O3 W -","- C43 O3 W -","- C172 O12 W4 -","4","1","","Hurst, Javier M.; Yadav, Rinku; Boeck, Parker T.; Ghiviriga, Ion; Brantley, ChristiAnna L; Dobrzycki, Łukasz; Veige, Adam S.","Snapshot of cyclooctyne ring-opening to a tethered alkylidene cyclic polymer catalyst.","Chemical science","2024","15","38","15873","15879","10.1039/d4sc04411h","","","0.71073","MoKα","","0.0347","0.0304","","","0.0646","0.0661","","","","","","1.142","","","","has coordinates,has disorder","295212","2024-10-06","07:15:20",""
"1572432","12.2551","0.0006","14.4674","0.0007","20.7849","0.001","90","","96.471","0.002","90","","3661.7","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H0.25 O3 W -","- C43 H58 O3 W -","- C172 H232 O12 W4 -","4","1","","Hurst, Javier M.; Yadav, Rinku; Boeck, Parker T.; Ghiviriga, Ion; Brantley, ChristiAnna L; Dobrzycki, Łukasz; Veige, Adam S.","Snapshot of cyclooctyne ring-opening to a tethered alkylidene cyclic polymer catalyst.","Chemical science","2024","15","38","15873","15879","10.1039/d4sc04411h","","","0.71073","MoKα","","0.0312","0.022","","","0.0454","0.0488","","","","","","1.041","","","","has coordinates","295212","2024-10-06","07:15:20",""
"1572433","10.8969","0.0004","13.5727","0.0005","14.1536","0.0006","90","","96.74","0.002","90","","2078.86","0.14","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H46 Co F6 N2 O2 P3 -","- C46 H46 Co F6 N2 O2 P3 -","- C92 H92 Co2 F12 N4 O4 P6 -","2","1","","Miller, Justin D.; Walsh, Mitchell M.; Lee, Kyounghoon; Moore, Curtis E.; Thomas, Christine M.","Hydrogen atom abstraction as a synthetic route to a square planar Co<sup>II</sup> complex with a redox-active tetradentate PNNP ligand.","Chemical science","2024","15","37","15311","15320","10.1039/d4sc03364g","","x-ray","0.71073","MoKα","K-L~3~","0.0417","0.036","","","0.0843","0.0879","","","","","","1.063","","","","has coordinates","295170","2024-10-06","06:56:03",""
"1572434","15.4283","0.0009","9.7434","0.0005","12.9567","0.0008","90","","120.359","0.002","90","","1680.63","0.17","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C42 H38 Co N2 O P2 -","- C42 H38 Co N2 O P2 -","- C84 H76 Co2 N4 O2 P4 -","2","0.5","","Miller, Justin D.; Walsh, Mitchell M.; Lee, Kyounghoon; Moore, Curtis E.; Thomas, Christine M.","Hydrogen atom abstraction as a synthetic route to a square planar Co<sup>II</sup> complex with a redox-active tetradentate PNNP ligand.","Chemical science","2024","15","37","15311","15320","10.1039/d4sc03364g","","x-ray","0.71073","MoKα","K-L~3~","0.0294","0.0273","","","0.0622","0.0632","","","","","","1.1","","","","has coordinates","295170","2024-10-06","06:56:04",""
"1572435","37.0504","0.0012","9.6501","0.0004","23.1185","0.0008","90","","123.211","0.001","90","","6915.6","0.4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H38 Co N2 P2 -","- C44 H38 Co N2 P2 -","- C352 H304 Co8 N16 P16 -","8","1","","Miller, Justin D.; Walsh, Mitchell M.; Lee, Kyounghoon; Moore, Curtis E.; Thomas, Christine M.","Hydrogen atom abstraction as a synthetic route to a square planar Co<sup>II</sup> complex with a redox-active tetradentate PNNP ligand.","Chemical science","2024","15","37","15311","15320","10.1039/d4sc03364g","","x-ray","0.71073","MoKα","K-L~3~","0.0371","0.0289","","","0.0709","0.076","","","","","","1.034","","","","has coordinates","295170","2024-10-06","06:56:04",""
"1572436","15.4595","0.0004","14.3076","0.0004","18.6069","0.0006","90","","90","","90","","4115.6","0.2","100","","100","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C42 H38 Co F12 N2 O P4 -","- C42 H38 Co F12 N2 O P4 -","- C168 H152 Co4 F48 N8 O4 P16 -","4","1","","Miller, Justin D.; Walsh, Mitchell M.; Lee, Kyounghoon; Moore, Curtis E.; Thomas, Christine M.","Hydrogen atom abstraction as a synthetic route to a square planar Co<sup>II</sup> complex with a redox-active tetradentate PNNP ligand.","Chemical science","2024","15","37","15311","15320","10.1039/d4sc03364g","","x-ray","0.71073","MoKα","K-L~3~","0.035","0.029","","","0.0662","0.0697","","","","","","1.052","","","","has coordinates","295170","2024-10-06","06:56:04",""
"1572437","11.1913","0.0004","13.9843","0.0006","17.7609","0.0008","76.602","0.001","83.396","0.001","67.358","0.001","2494.54","0.18","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C56 H60 Co K N2 O6 P2 -","- C56 H60 Co K N2 O6 P2 -","- C112 H120 Co2 K2 N4 O12 P4 -","2","1","","Miller, Justin D.; Walsh, Mitchell M.; Lee, Kyounghoon; Moore, Curtis E.; Thomas, Christine M.","Hydrogen atom abstraction as a synthetic route to a square planar Co<sup>II</sup> complex with a redox-active tetradentate PNNP ligand.","Chemical science","2024","15","37","15311","15320","10.1039/d4sc03364g","","x-ray","0.71073","MoKα","K-L~3~","0.0626","0.0393","","","0.0897","0.1011","","","","","","1.033","","","","has coordinates,has disorder","295170","2024-10-06","06:56:04",""
"1572438","11.4936","0.0005","12.2636","0.0005","15.7199","0.0007","87.128","0.001","75.067","0.002","85.597","0.001","2133.56","0.16","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C45.44 H46.56 Co F6 N2 O0.79 P4 -","- C45.428 H46.56 Co F6 N2 O0.783 P4 -","- C90.856 H93.12 Co2 F12 N4 O1.566 P8 -","2","1","","Miller, Justin D.; Walsh, Mitchell M.; Lee, Kyounghoon; Moore, Curtis E.; Thomas, Christine M.","Hydrogen atom abstraction as a synthetic route to a square planar Co<sup>II</sup> complex with a redox-active tetradentate PNNP ligand.","Chemical science","2024","15","37","15311","15320","10.1039/d4sc03364g","","x-ray","0.71073","MoKα","K-L~3~","0.0313","0.0282","","","0.0707","0.0734","","","","","","1.033","","","","has coordinates,has disorder","295170","2024-10-06","06:56:04",""
"1572439","11.2827","0.0005","24.3783","0.0012","46.956","0.002","90","","90","","90","","12915.4","1","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C74 H80 Co K N2 O6 P2 -","- C74 H80 Co K N2 O6 P2 -","- C592 H640 Co8 K8 N16 O48 P16 -","8","2","","Miller, Justin D.; Walsh, Mitchell M.; Lee, Kyounghoon; Moore, Curtis E.; Thomas, Christine M.","Hydrogen atom abstraction as a synthetic route to a square planar Co<sup>II</sup> complex with a redox-active tetradentate PNNP ligand.","Chemical science","2024","15","37","15311","15320","10.1039/d4sc03364g","","x-ray","0.71073","MoKα","K-L~3~","0.0544","0.0431","","","0.1093","0.1181","","","","","","1.078","","","","has coordinates","295170","2024-10-06","06:56:04",""
"1572440","6.6241","0.0001","19.1629","0.0003","12.6062","0.0002","90","","93.136","0.001","90","","1597.8","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Norfloxacinium nitrate","4-(3-Carboxy-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium nitrate","","- C16 H19 F N4 O6 -","- C16 H19 F N4 O6 -","- C64 H76 F4 N16 O24 -","4","1","HB4480","Rasulov, Abdusamat; Torambetov, Batirbay; Alimnazarov, Bekmurod; Kadirova, Shakhnoza; Suyunov, Jabbor; Nazarov, Yusufjon; Ashurov, Jamshid","Norfloxacinium nitrate","IUCrData","2024","9","8","","","10.1107/S2414314624008137","","x-ray","1.54184","CuKα","","0.0522","0.0455","","","0.12","0.1262","","","","","","1.052","","","","has coordinates","294315","2024-08-31","02:17:33",""
"1572441","11.1008","0.0002","14.9561","0.0003","12.7221","0.0002","90","","91.486","0.001","90","","2111.47","0.07","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[tris(2-aminobutan-1-ol)copper(II) [hexakis-μ~2~-cyanido-κ^12^<i>C</i>:<i>N</i>-tetracopper(I)] bis(2-aminobutan-1-olato)aquacopper(II) monohydrate]","","- C26 H57 Cu6 N11 O7 -","- C26 H57 Cu6 N11 O7 -","- C52 H114 Cu12 N22 O14 -","2","1","BH4088","Corfield, Peter W. R.; Salvi, Paul","Poly[tris(2-aminobutan-1-ol)copper(II) [hexakis-μ2-cyanido-κ12 C:N-tetracopper(I)] bis(2-aminobutan-1-olato)aquacopper(II) monohydrate]","IUCrData","2024","9","8","","","10.1107/S2414314624008459","","","0.7107","MoKα","","0.0641","0.0303","","","0.0747","0.0938","","","","","","1.126","","","","has coordinates,has disorder","294316","2024-08-31","02:17:49",""
"1572442","5.8868","0.0002","8.8927","0.0004","22.8226","0.0009","90","","90","","90","","1194.75","0.08","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Pyridinium tosylate","Pyridinium 4-methylbenzenesulfonate","","- C12 H13 N O3 S -","- C12 H13 N O3 S -","- C48 H52 N4 O12 S4 -","4","1","HB4482","Hosten, Eric Cyriel; Betz, Richard","Pyridinium tosylate","IUCrData","2024","9","8","","","10.1107/S2414314624008319","","","0.71073","MoKα","","0.0275","0.0266","","","0.0706","0.0715","","","","","","1.082","","","","has coordinates","294317","2024-08-31","02:18:06",""
"1572443","11.1045","0.0007","9.1489","0.0006","15.8088","0.0011","90","","92.21","0.001","90","","1604.88","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","nickel-3(pyridin-2-ylpyrazolyl)3,5-dimethylpyrazole acetate","Bis[μ-3-(pyridin-2-yl)pyrazolato]bis[acetato(3,5-dimethyl-1<i>H</i>-pyrazole)nickel(II)]","","- C30 H34 N10 Ni2 O4 -","- C30 H34 N10 Ni2 O4 -","- C60 H68 N20 Ni4 O8 -","2","0.5","ZL4073","Pilavadi, Thangamuniyandi; Krishnan, Soundararajan; Loganathan, Nagarajan","Bis[μ-3-(pyridin-2-yl)pyrazolato]bis[acetato(3,5-dimethyl-1H-pyrazole)nickel(II)]","IUCrData","2024","9","8","","","10.1107/S2414314624008101","","","0.71073","MoKα","","0.0327","0.03","","","0.0778","0.0794","","","","","","1.042","","","","has coordinates","294318","2024-08-31","02:18:23",""
"1572444","8.322","0.0004","9.2704","0.0004","9.4248","0.0004","108.101","0.002","99.515","0.002","99.749","0.002","662.46","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bis(2-carboxyquinolinium) hexachloridostannate(IV) dihydrate","","- C20 H20 Cl6 N2 O6 Sn -","- C20 H20 Cl6 N2 O6 Sn -","- C20 H20 Cl6 N2 O6 Sn -","1","0.5","WM4218","Benhamada, Mohamed Siradj Eddine; Benlatreche, Tarek; Ghallab, Rochdi; Dénès, George; Merazig, Hocine","Bis(2-carboxyquinolinium) hexachloridostannate(IV) dihydrate","IUCrData","2024","9","8","","","10.1107/S2414314624008265","","","0.71073","MoKα","","0.0132","0.0127","","","0.0325","0.033","","","","","","1.077","","","","has coordinates","294319","2024-08-31","02:18:35",""
"1572445","27.2908","0.0004","12.83961","0.00018","28.6407","0.0004","90","","94.7195","0.0014","90","","10001.8","0.2","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C172 H208 Cu8 Li8 O64 Si24 -","- C172 H208 Cu8 Li8 O64 Si24 -","- C344 H416 Cu16 Li16 O128 Si48 -","2","0.5","","Zueva, Anna Y.; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ragimov, Karim; Lobanov, Nikolai N.; Sun, Di","Rational (supra)molecular design and catalytic activity of cage-like Cu<sub>4</sub>-based phenylsilsesquioxanes.","Nanoscale","2024","16","39","18389","18398","10.1039/d4nr02173h","","","1.54184","CuKα","","0.108","0.0684","","","0.1544","0.178","","","","","","1.074","","","","has coordinates","296620","2024-12-06","20:07:06",""
"1572446","21.04564","0.00012","19.44883","0.00009","12.70519","0.00007","90","","90","","90","","5200.4","0.05","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C88 H108 Cu4 Na4 O32 Si12 -","- C88 H108 Cu4 Na4 O32 Si12 -","- C176 H216 Cu8 Na8 O64 Si24 -","2","0.5","","Zueva, Anna Y.; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ragimov, Karim; Lobanov, Nikolai N.; Sun, Di","Rational (supra)molecular design and catalytic activity of cage-like Cu<sub>4</sub>-based phenylsilsesquioxanes.","Nanoscale","2024","16","39","18389","18398","10.1039/d4nr02173h","","","1.54184","CuKα","","0.0453","0.0432","","","0.1192","0.1221","","","","","","1.029","","","","has coordinates","296620","2024-12-06","20:07:07",""
"1572447","19.845","0.0018","12.724","0.0011","20.372","0.0019","90","","90.369","0.009","90","","5144","0.8","100","2","100","2","","","","","","","","7","P 1 2 1","P 2y","3","","","","- C170.4 H192.8 Cu8 N4 Na8 O60 Si24 -","- C170.4 H192.8 Cu8 N4 Na8 O60 Si24 -","- C170.4 H192.8 Cu8 N4 Na8 O60 Si24 -","1","0.5","","Zueva, Anna Y.; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ragimov, Karim; Lobanov, Nikolai N.; Sun, Di","Rational (supra)molecular design and catalytic activity of cage-like Cu<sub>4</sub>-based phenylsilsesquioxanes.","Nanoscale","2024","16","39","18389","18398","10.1039/d4nr02173h","","","0.79313","synchrotron","","0.1028","0.0655","","","0.1576","0.1816","","","","","","1.001","","","","has coordinates,has disorder","296620","2024-12-06","20:07:07",""
"1572448","39.983","0.004","12.6858","0.0004","28.308","0.003","90","","132.083","0.016","90","","10656","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C92 H108 Cu4 Na4 O32 Si12 -","- C92 H108 Cu4 Na4 O32 Si12 -","- C368 H432 Cu16 Na16 O128 Si48 -","4","0.5","","Zueva, Anna Y.; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ragimov, Karim; Lobanov, Nikolai N.; Sun, Di","Rational (supra)molecular design and catalytic activity of cage-like Cu<sub>4</sub>-based phenylsilsesquioxanes.","Nanoscale","2024","16","39","18389","18398","10.1039/d4nr02173h","","","1.54184","CuKα","","0.1523","0.1205","","","0.2508","0.2734","","","","","","1.032","","","","has coordinates","296620","2024-12-06","20:07:07",""
"1572449","39.0587","0.0014","12.8552","0.0002","29.1768","0.001","90","","133.137","0.006","90","","10690.3","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C92 H112 Cu4 Na4 O30 Si12 -","- C92 H112 Cu4 Na4 O30 Si12 -","- C368 H448 Cu16 Na16 O120 Si48 -","4","0.5","","Zueva, Anna Y.; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ragimov, Karim; Lobanov, Nikolai N.; Sun, Di","Rational (supra)molecular design and catalytic activity of cage-like Cu<sub>4</sub>-based phenylsilsesquioxanes.","Nanoscale","2024","16","39","18389","18398","10.1039/d4nr02173h","","","1.54184","CuKα","","0.0906","0.0715","","","0.1823","0.2004","","","","","","1.077","","","","has coordinates,has disorder","296620","2024-12-06","20:07:07",""
"1572450","43.4569","0.0002","40.1289","0.0002","12.69074","0.00009","90","","90","","90","","22131.1","0.2","100","2","100","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C96 H108 Cu4 Na4 O32 Si12 -","- C96 H108 Cu4 Na4 O32 Si12 -","- C768 H864 Cu32 Na32 O256 Si96 -","8","0.25","","Zueva, Anna Y.; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ragimov, Karim; Lobanov, Nikolai N.; Sun, Di","Rational (supra)molecular design and catalytic activity of cage-like Cu<sub>4</sub>-based phenylsilsesquioxanes.","Nanoscale","2024","16","39","18389","18398","10.1039/d4nr02173h","","","1.54184","CuKα","","0.1003","0.0966","","","0.2326","0.2351","","","","","","1.055","","","","has coordinates,has disorder","296620","2024-12-06","20:07:07",""
"1572451","30.83614","0.00011","12.82684","0.00004","25.03897","0.00009","90","","99.0014","0.0003","90","","9781.7","0.06","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H45 Cu2 K2 N O14 Si6 -","- C42 H45 Cu2 K2 N O14 Si6 -","- C336 H360 Cu16 K16 N8 O112 Si48 -","8","1","","Zueva, Anna Y.; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ragimov, Karim; Lobanov, Nikolai N.; Sun, Di","Rational (supra)molecular design and catalytic activity of cage-like Cu<sub>4</sub>-based phenylsilsesquioxanes.","Nanoscale","2024","16","39","18389","18398","10.1039/d4nr02173h","","","1.54184","CuKα","","0.0396","0.038","","","0.1077","0.1094","","","","","","1.063","","","","has coordinates,has disorder","296620","2024-12-06","20:07:07",""
"1572452","14.3054","0.0007","27.8536","0.0013","26.1938","0.0008","90","","98.087","0.004","90","","10333.3","0.8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C321 H328 Cu16 K16 N8 O111 Si48 -","- C321 H328 Cu16 K16 N8 O111 Si48 -","- C321 H328 Cu16 K16 N8 O111 Si48 -","1","0.125","","Zueva, Anna Y.; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ragimov, Karim; Lobanov, Nikolai N.; Sun, Di","Rational (supra)molecular design and catalytic activity of cage-like Cu<sub>4</sub>-based phenylsilsesquioxanes.","Nanoscale","2024","16","39","18389","18398","10.1039/d4nr02173h","","","1.54184","CuKα","","0.1494","0.1151","","","0.2079","0.2231","","","","","","1.036","","","","has coordinates,has disorder","296620","2024-12-06","20:07:07",""
"1572453","25.30185","0.00015","25.30185","0.00015","14.9684","0.00016","90","","90","","90","","9582.52","0.13","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C20 H21 Cu O7 Rb Si3 -","- C20 H21 Cu O7 Rb Si3 -","- C320 H336 Cu16 O112 Rb16 Si48 -","16","1","","Zueva, Anna Y.; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ragimov, Karim; Lobanov, Nikolai N.; Sun, Di","Rational (supra)molecular design and catalytic activity of cage-like Cu<sub>4</sub>-based phenylsilsesquioxanes.","Nanoscale","2024","16","39","18389","18398","10.1039/d4nr02173h","","","0.71073","MoKα","","0.0433","0.0386","","","0.0888","0.0915","","","","","","1.027","","","","has coordinates","296620","2024-12-06","20:07:07",""
"1572454","30.9509","0.0003","12.2263","0.00013","34.6851","0.0004","90","","111.938","0.0014","90","","12174.9","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C102 H120 Cu4 K4 O34 Si12 -","- C102 H120 Cu4 K4 O34 Si12 -","- C408 H480 Cu16 K16 O136 Si48 -","4","0.5","","Zueva, Anna Y.; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ragimov, Karim; Lobanov, Nikolai N.; Sun, Di","Rational (supra)molecular design and catalytic activity of cage-like Cu<sub>4</sub>-based phenylsilsesquioxanes.","Nanoscale","2024","16","39","18389","18398","10.1039/d4nr02173h","","","1.54184","CuKα","","0.0663","0.0596","","","0.1527","0.1589","","","","","","1.051","","","","has coordinates","296620","2024-12-06","20:07:07",""
"1572455","26.049","0.0003","26.049","0.0003","15.734","0.0002","90","","90","","90","","10676.3","0.2","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C20 H21 Cs Cu O7 Si3 -","- C20 H21 Cs Cu O7 Si3 -","- C320 H336 Cs16 Cu16 O112 Si48 -","16","1","","Zueva, Anna Y.; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ragimov, Karim; Lobanov, Nikolai N.; Sun, Di","Rational (supra)molecular design and catalytic activity of cage-like Cu<sub>4</sub>-based phenylsilsesquioxanes.","Nanoscale","2024","16","39","18389","18398","10.1039/d4nr02173h","","","0.71073","MoKα","","0.1828","0.172","","","0.3497","0.3543","","","","","","1.014","","","","has coordinates,has disorder","296620","2024-12-06","20:07:07",""
"1572456","35.912","0.002","14.9169","0.0007","25.534","0.0017","90","","135.192","0.001","90","","9639.7","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H84 Cu4 O28 Rb4 Si12 -","- C80 H84 Cu4 O28 Rb4 Si12 -","- C320 H336 Cu16 O112 Rb16 Si48 -","4","0.5","","Zueva, Anna Y.; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ragimov, Karim; Lobanov, Nikolai N.; Sun, Di","Rational (supra)molecular design and catalytic activity of cage-like Cu<sub>4</sub>-based phenylsilsesquioxanes.","Nanoscale","2024","16","39","18389","18398","10.1039/d4nr02173h","","","0.71073","MoKα","","0.1749","0.11","","","0.2105","0.2458","","","","","","1","","","","has coordinates,has disorder","296620","2024-12-06","20:07:07",""
"1572457","12.853","0.003","38.608","0.008","21.007","0.004","90","","105.56","0.03","90","","10042","4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C84 H88 Cu4 N4 O28 Rb4 Si12 -","- C84 H88 Cu4 N4 O28 Rb4 Si12 -","- C336 H352 Cu16 N16 O112 Rb16 Si48 -","4","1","","Zueva, Anna Y.; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ragimov, Karim; Lobanov, Nikolai N.; Sun, Di","Rational (supra)molecular design and catalytic activity of cage-like Cu<sub>4</sub>-based phenylsilsesquioxanes.","Nanoscale","2024","16","39","18389","18398","10.1039/d4nr02173h","","","0.745","synchrotron","","0.0545","0.0365","","","0.0867","0.0953","","","","","","1.012","","","","has coordinates","296620","2024-12-06","20:07:07",""
"1572458","35.542","0.003","12.527","0.0008","25.4243","0.0019","90","","118.589","0.009","90","","9939.6","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C160 H184 Cu8 Na8 O64 Si24 -","- C160 H184 Cu8 Na8 O64 Si24 -","- C320 H368 Cu16 Na16 O128 Si48 -","2","0.25","","Zueva, Anna Y.; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ragimov, Karim; Lobanov, Nikolai N.; Sun, Di","Rational (supra)molecular design and catalytic activity of cage-like Cu<sub>4</sub>-based phenylsilsesquioxanes.","Nanoscale","2024","16","39","18389","18398","10.1039/d4nr02173h","","","0.745","synchrotron","","0.1013","0.0657","","","0.1648","0.1881","","","","","","1.024","","","","has coordinates,has disorder","296620","2024-12-06","20:07:07",""
"1572459","24.8722","0.0009","24.8722","0.0009","14.8974","0.0007","90","","90","","90","","9215.9","0.6","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C20 H21 Cu K O7 Si3 -","- C20 H21 Cu K O7 Si3 -","- C320 H336 Cu16 K16 O112 Si48 -","16","1","","Zueva, Anna Y.; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ragimov, Karim; Lobanov, Nikolai N.; Sun, Di","Rational (supra)molecular design and catalytic activity of cage-like Cu<sub>4</sub>-based phenylsilsesquioxanes.","Nanoscale","2024","16","39","18389","18398","10.1039/d4nr02173h","","","0.71073","MoKα","","0.1302","0.0874","","","0.1791","0.2082","","","","","","1.047","","","","has coordinates","296620","2024-12-06","20:07:07",""
"1572460","51.9802","0.0004","51.9802","0.0004","15.7632","0.0002","90","","90","","90","","42591.2","0.7","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C83.5 H94.5 Cs4 Cu4 O29.75 Si12 -","- C83.5 H94.5 Cs4 Cu4 O29.75 Si12 -","- C1336 H1512 Cs64 Cu64 O476 Si192 -","16","1","","Zueva, Anna Y.; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ragimov, Karim; Lobanov, Nikolai N.; Sun, Di","Rational (supra)molecular design and catalytic activity of cage-like Cu<sub>4</sub>-based phenylsilsesquioxanes.","Nanoscale","2024","16","39","18389","18398","10.1039/d4nr02173h","","","1.54184","CuKα","","0.1219","0.0819","","","0.1997","0.2262","","","","","","1.078","","","","has coordinates","296620","2024-12-06","20:07:07",""
"1572461","31.5879","0.001","12.4253","0.0003","25.4831","0.0005","90","","99.023","0.002","90","","9878.1","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C77 H85 Cu4 Na4 O31.5 Si12 -","- C77 H85 Cu4 Na4 O31.5 Si12 -","- C308 H340 Cu16 Na16 O126 Si48 -","4","0.5","","Zueva, Anna Y.; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ragimov, Karim; Lobanov, Nikolai N.; Sun, Di","Rational (supra)molecular design and catalytic activity of cage-like Cu<sub>4</sub>-based phenylsilsesquioxanes.","Nanoscale","2024","16","39","18389","18398","10.1039/d4nr02173h","","","0.71073","MoKα","","0.1591","0.0981","","","0.1731","0.194","","","","","","1.059","","","","has coordinates,has disorder","296620","2024-12-06","20:07:07",""
"1572462","42.5782","0.0011","12.84264","0.00011","28.6065","0.0007","90","","136.955","0.005","90","","10677.1","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C92 H112 Cu4 Na4 O30 Si12 -","- C92 H112 Cu4 Na4 O30 Si12 -","- C368 H448 Cu16 Na16 O120 Si48 -","4","0.5","","Zueva, Anna Y.; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ragimov, Karim; Lobanov, Nikolai N.; Sun, Di","Rational (supra)molecular design and catalytic activity of cage-like Cu<sub>4</sub>-based phenylsilsesquioxanes.","Nanoscale","2024","16","39","18389","18398","10.1039/d4nr02173h","","","1.54184","CuKα","","0.0908","0.0819","","","0.2056","0.2125","","","","","","1.072","","","","has coordinates,has disorder","296620","2024-12-06","20:07:07",""
"1572463","14.7418","0.0002","27.4918","0.0005","26.7963","0.0004","90","","99.7402","0.0015","90","","10703.4","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C85.5 H90 Cu4 O30 Rb4 Si12 -","- C85.5 H90 Cu4 O30 Rb4 Si12 -","- C342 H360 Cu16 O120 Rb16 Si48 -","4","0.5","","Zueva, Anna Y.; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ragimov, Karim; Lobanov, Nikolai N.; Sun, Di","Rational (supra)molecular design and catalytic activity of cage-like Cu<sub>4</sub>-based phenylsilsesquioxanes.","Nanoscale","2024","16","39","18389","18398","10.1039/d4nr02173h","","","0.71073","MoKα","","0.0799","0.0503","","","0.1197","0.1304","","","","","","1.024","","","","has coordinates,has disorder","296620","2024-12-06","20:07:07",""
"1572464","21.0807","0.0004","4.92885","0.00012","23.4456","0.0005","90","","102.218","0.002","90","","2380.9","0.09","99.97","0.13","99.97","0.13","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 O2 -","- C15 H14 O2 -","- C120 H112 O16 -","8","2","","Cheng, Qianqian; De Bo, Guillaume","Mechanochemical generation of aryne.","Chemical science","2024","15","33","13181","13184","10.1039/d4sc03968h","","x-ray","1.54184","CuKα","","0.0653","0.0578","","","0.1532","0.1604","","","","","","1.047","","","","has coordinates","294363","2024-09-04","07:53:04",""
"1572465","23.5231","0.0019","8.2852","0.0007","24.9724","0.0019","90","","105.323","0.008","90","","4693.9","0.7","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 O4 -","- C30 H28 O4 -","- C240 H224 O32 -","8","2","","Cheng, Qianqian; De Bo, Guillaume","Mechanochemical generation of aryne.","Chemical science","2024","15","33","13181","13184","10.1039/d4sc03968h","","x-ray","1.54184","CuKα","","0.1398","0.0713","","","0.1605","0.2012","","","","","","1.029","","","","has coordinates","294363","2024-09-04","07:53:04",""
"1572466","14.6516","0.0007","27.2272","0.0013","29.4109","0.0014","90","","99.944","0.001","90","","11556.4","1","77.15","","77.15","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C114 H122 Cu4 F12 N4 O7 P10 S -","- C114 H122 Cu4 F12 N4 O7 P10 S -","- C456 H488 Cu16 F48 N16 O28 P40 S4 -","4","1","","Alayoglu, Pinar; Rathnayaka, Suresh C.; Chang, Tieyan; Wang, SuYin Grass; Chen, Yu-Sheng; Mankad, Neal P.","Cu site differentiation in tetracopper(i) sulfide clusters enables biomimetic N<sub>2</sub>O reduction.","Chemical science","2024","15","34","13668","13675","10.1039/d4sc00701h","","","0.40633","synchrotron","","0.0845","0.0568","","","0.1257","0.14","","","","","","1.025","","","","has coordinates","294364","2024-09-04","08:05:03",""
"1572467","11.668","0.004","47.89","0.016","11.5","0.005","90","","95.148","0.011","90","","6400","4","77.15","","77.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H66 Cu2 F12 N4 O3 P6 -","- C61 H66 Cu2 F12 N4 O3 P6 -","- C244 H264 Cu8 F48 N16 O12 P24 -","4","1","","Alayoglu, Pinar; Rathnayaka, Suresh C.; Chang, Tieyan; Wang, SuYin Grass; Chen, Yu-Sheng; Mankad, Neal P.","Cu site differentiation in tetracopper(i) sulfide clusters enables biomimetic N<sub>2</sub>O reduction.","Chemical science","2024","15","34","13668","13675","10.1039/d4sc00701h","","","0.41328","synchrotron","","0.0569","0.0506","","","0.125","0.1315","","","","","","1.068","","","","has coordinates,has disorder","294364","2024-09-04","08:05:06",""
"1572468","27.1837","0.0008","16.4148","0.0005","23.8408","0.0006","90","","110.577","0.001","90","","9959.4","0.5","77.15","","77.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C100 H88 Cu4 F8 O P8 S -","- C103 H94 Cu4 F12 O P10 S -","- C412 H376 Cu16 F48 O4 P40 S4 -","4","0.5","","Alayoglu, Pinar; Rathnayaka, Suresh C.; Chang, Tieyan; Wang, SuYin Grass; Chen, Yu-Sheng; Mankad, Neal P.","Cu site differentiation in tetracopper(i) sulfide clusters enables biomimetic N<sub>2</sub>O reduction.","Chemical science","2024","15","34","13668","13675","10.1039/d4sc00701h","","","0.41328","synchrotron","","0.0527","0.0482","","","0.1359","0.1398","","","","","","1.081","","","","has coordinates","294364","2024-09-04","08:05:07",""
"1572469","13.6415","0.0002","19.3339","0.0003","18.973","0.0003","90","","109.138","0.0017","90","","4727.45","0.13","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H67 Al Mg N2 O -","- C52 H67 Al Mg N2 O -","- C208 H268 Al4 Mg4 N8 O4 -","4","1","","Boronski, Josef T.; Griffin, Liam P.; Conder, Caroline; Crumpton, Agamemnon E.; Wales, Lewis L.; Aldridge, Simon","On the nature and limits of alkaline earth-triel bonding.","Chemical science","2024","15","37","15377","15384","10.1039/d4sc03832k","","x-ray","1.54184","CuKα","","0.0896","0.0661","","","0.1834","0.2016","","","","","","1.044","","","","has coordinates,has disorder","295174","2024-10-06","06:57:22",""
"1572470","13.9427","0.0002","19.1025","0.0003","18.6052","0.0003","90","","108.451","0.002","90","","4700.59","0.14","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H67 Be In N2 O -","- C52 H67 Be In N2 O -","- C208 H268 Be4 In4 N8 O4 -","4","1","","Boronski, Josef T.; Griffin, Liam P.; Conder, Caroline; Crumpton, Agamemnon E.; Wales, Lewis L.; Aldridge, Simon","On the nature and limits of alkaline earth-triel bonding.","Chemical science","2024","15","37","15377","15384","10.1039/d4sc03832k","","x-ray","1.54184","CuKα","","0.0396","0.0313","","","0.0762","0.0806","","","","","","1.038","","","","has coordinates","295174","2024-10-06","06:57:31",""
"1572471","19.3033","0.0002","17.3028","0.0002","27.4999","0.0004","90","","103.204","0.0012","90","","8942.2","0.2","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H67 Ga N2 O -","- C52 H67 Ga N2 O -","- C416 H536 Ga8 N16 O8 -","8","1","","Boronski, Josef T.; Griffin, Liam P.; Conder, Caroline; Crumpton, Agamemnon E.; Wales, Lewis L.; Aldridge, Simon","On the nature and limits of alkaline earth-triel bonding.","Chemical science","2024","15","37","15377","15384","10.1039/d4sc03832k","","x-ray","0.71073","MoKα","","0.0697","0.0607","","","0.1618","0.1667","","","","","","1.163","","","","has coordinates,has disorder","295174","2024-10-06","06:57:31",""
"1572472","13.87645","0.00013","21.59607","0.00019","20.08526","0.00015","90","","102.734","0.0008","90","","5871.03","0.09","150","0.2","150","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H98 Al N5 O -","- C63 H98 Al N5 O -","- C252 H392 Al4 N20 O4 -","4","1","","Boronski, Josef T.; Griffin, Liam P.; Conder, Caroline; Crumpton, Agamemnon E.; Wales, Lewis L.; Aldridge, Simon","On the nature and limits of alkaline earth-triel bonding.","Chemical science","2024","15","37","15377","15384","10.1039/d4sc03832k","","x-ray","1.54184","CuKα","","0.0698","0.0585","","","0.1658","0.18","","","","","","1.017","","","","has coordinates,has disorder","295174","2024-10-06","06:57:31",""
"1572473","17.626","0.002","7.583","0.0009","9.5983","0.0011","90","","93.496","0.005","90","","1280.5","0.3","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","R-1","","- C18 H31 Cl6 In0.95 N3 Sb0.05 -","- C18 H31 Cl6 In0.95 N3 Sb0.05 -","- C36 H62 Cl12 In1.9 N6 Sb0.1 -","2","0.5","","Liu, Yulian; Wei, Yi; Luo, Zhishan; Xu, Bin; He, Meiying; Hong, Peibin; Li, Chen; Quan, Zewei","Boosting circularly polarized luminescence by optimizing off-centering octahedral distortion in zero-dimensional hybrid indium-antimony halides.","Chemical science","2024","15","37","15480","15488","10.1039/d4sc04399e","","","0.71073","MoKα","","0.0326","0.0295","","","0.0592","0.0611","","","","","","1.052","","","","has coordinates,has disorder","295166","2024-10-06","06:52:57",""
"1572474","14.807","0.005","9.305","0.003","9.672","0.004","90","","92.017","0.011","90","","1331.8","0.8","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","R-2A","","- C19 H34 Cl6 In0.79 N3 Sb0.21 -","- C19 H34 Cl6 In0.79 N3 Sb0.21 -","- C38 H68 Cl12 In1.58 N6 Sb0.42 -","2","0.5","","Liu, Yulian; Wei, Yi; Luo, Zhishan; Xu, Bin; He, Meiying; Hong, Peibin; Li, Chen; Quan, Zewei","Boosting circularly polarized luminescence by optimizing off-centering octahedral distortion in zero-dimensional hybrid indium-antimony halides.","Chemical science","2024","15","37","15480","15488","10.1039/d4sc04399e","","","0.71073","MoKα","","0.0276","0.026","","","0.0628","0.0651","","","","","","1.08","","","","has coordinates,has disorder","295166","2024-10-06","06:52:58",""
"1572475","14.843","0.005","9.3","0.003","9.69","0.003","90","","92.129","0.011","90","","1336.7","0.7","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","R-2B","","- C19 H34 Cl6 In0.72 N3 Sb0.28 -","- C19 H34 Cl6 In0.72 N3 Sb0.28 -","- C38 H68 Cl12 In1.44 N6 Sb0.56 -","2","0.5","","Liu, Yulian; Wei, Yi; Luo, Zhishan; Xu, Bin; He, Meiying; Hong, Peibin; Li, Chen; Quan, Zewei","Boosting circularly polarized luminescence by optimizing off-centering octahedral distortion in zero-dimensional hybrid indium-antimony halides.","Chemical science","2024","15","37","15480","15488","10.1039/d4sc04399e","","","0.71073","MoKα","","0.0322","0.028","","","0.0595","0.0627","","","","","","1.093","","","","has coordinates,has disorder","295166","2024-10-06","06:52:58",""
"1572476","14.74","0.006","9.26","0.004","9.647","0.004","90","","92.088","0.013","90","","1315.9","1","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","R-2","","- C19 H34 Cl6 In0.95 N3 Sb0.05 -","- C19 H34 Cl6 In0.95 N3 Sb0.05 -","- C38 H68 Cl12 In1.9 N6 Sb0.1 -","2","0.5","","Liu, Yulian; Wei, Yi; Luo, Zhishan; Xu, Bin; He, Meiying; Hong, Peibin; Li, Chen; Quan, Zewei","Boosting circularly polarized luminescence by optimizing off-centering octahedral distortion in zero-dimensional hybrid indium-antimony halides.","Chemical science","2024","15","37","15480","15488","10.1039/d4sc04399e","","","0.71073","MoKα","","0.0345","0.0305","","","0.0705","0.0748","","","","","","1.057","","","","has coordinates,has disorder","295166","2024-10-06","06:52:58",""
"1572477","14.863","0.004","9.29","0.002","9.706","0.002","90","","92.229","0.008","90","","1339.2","0.5","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","R-2C","","- C19 H34 Cl6 In0.59 N3 Sb0.41 -","- C19 H34 Cl6 In0.59 N3 Sb0.41 -","- C38 H68 Cl12 In1.18 N6 Sb0.82 -","2","0.5","","Liu, Yulian; Wei, Yi; Luo, Zhishan; Xu, Bin; He, Meiying; Hong, Peibin; Li, Chen; Quan, Zewei","Boosting circularly polarized luminescence by optimizing off-centering octahedral distortion in zero-dimensional hybrid indium-antimony halides.","Chemical science","2024","15","37","15480","15488","10.1039/d4sc04399e","","","0.71073","MoKα","","0.0312","0.0278","","","0.0591","0.0615","","","","","","1.07","","","","has coordinates,has disorder","295166","2024-10-06","06:52:58",""
"1572478","12.7343","0.0006","11.6579","0.0005","14.1462","0.0006","90","","113.366","0.002","90","","1927.85","0.15","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H30 N2 O P2 -","- C15 H30 N2 O P2 -","- C60 H120 N8 O4 P8 -","4","1","","Yoon, Joseph S.; Abdellaoui, Mehdi; Gembicky, Milan; Bertrand, Guy","A carbene-stabilized diphosphorus: a triple-bonded diphosphorus (P[triple bond, length as m-dash]P) and a bis(phosphinidene) (P-P) transfer agent.","Chemical science","2024","15","38","15713","15716","10.1039/d4sc05091f","","x-ray","1.54178","CuKα","K-L~3~","0.0333","0.0296","","","0.0753","0.0778","","","","","","1.049","","","","has coordinates","295209","2024-10-06","07:14:30",""
"1572479","5.1758","0.0003","5.3182","0.0003","11.4365","0.0006","88.01","0.002","83.733","0.002","80.367","0.002","308.46","0.03","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C12 H20 P2 -","- C12 H20 P2 -","- C12 H20 P2 -","1","0.5","","Yoon, Joseph S.; Abdellaoui, Mehdi; Gembicky, Milan; Bertrand, Guy","A carbene-stabilized diphosphorus: a triple-bonded diphosphorus (P[triple bond, length as m-dash]P) and a bis(phosphinidene) (P-P) transfer agent.","Chemical science","2024","15","38","15713","15716","10.1039/d4sc05091f","","x-ray","0.71073","MoKα","K-L~3~","0.0528","0.049","","","0.1255","0.1272","","","","","","1.142","","","","has coordinates","295209","2024-10-06","07:14:30",""
"1572480","10.5119","0.0004","15.7592","0.0006","16.7454","0.0006","90","","100.303","0.001","90","","2729.3","0.18","100.15","","100.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H50 N2 -","- C30 H50 N2 -","- C120 H200 N8 -","4","1","","Yoon, Joseph S.; Abdellaoui, Mehdi; Gembicky, Milan; Bertrand, Guy","A carbene-stabilized diphosphorus: a triple-bonded diphosphorus (P[triple bond, length as m-dash]P) and a bis(phosphinidene) (P-P) transfer agent.","Chemical science","2024","15","38","15713","15716","10.1039/d4sc05091f","","x-ray","1.54178","CuKα","K-L~3~","0.0396","0.038","","","0.0971","0.0988","","","","","","1.024","","","","has coordinates","295209","2024-10-06","07:14:30",""
"1572481","11.7119","0.0016","11.7054","0.0015","14.533","0.002","90","","113.731","0.004","90","","1823.9","0.4","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H30 N2 P2 -","- C14 H30 N2 P2 -","- C56 H120 N8 P8 -","4","1","","Yoon, Joseph S.; Abdellaoui, Mehdi; Gembicky, Milan; Bertrand, Guy","A carbene-stabilized diphosphorus: a triple-bonded diphosphorus (P[triple bond, length as m-dash]P) and a bis(phosphinidene) (P-P) transfer agent.","Chemical science","2024","15","38","15713","15716","10.1039/d4sc05091f","","x-ray","0.71073","MoKα","K-L~3~","0.0641","0.0473","","","0.111","0.122","","","","","","1.06","","","","has coordinates,has disorder","295209","2024-10-06","07:14:30",""
"1572482","16.175","0.002","8.8838","0.001","16.016","0.003","90","","118.393","0.019","90","","2024.6","0.6","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-chlorobenzyl)-3,3-difluoro-3a-(4-fluorobenzyl)octahydro-1H-indole-2-carbonitrile","","- C23 H22 Cl F3 N2 -","- C23 H22 Cl F3 N2 -","- C92 H88 Cl4 F12 N8 -","4","1","","Chen, Kaixin; Lin, Jie; Jing, Jing; Wang, Junda; Hu, Jiayu; Yi, Hong; Lei, Aiwen; Li, Jie","Cobalt-catalyzed conformationally restricted alkylarylation enables divergent access to Csp<sup>3</sup>-rich N-heterocycles.","Chemical science","2024","15","39","16250","16258","10.1039/d4sc04056b","","","0.71073","MoKα","","0.0816","0.0484","","","0.1094","0.1324","","","","","","1.021","","","","has coordinates","296406","2024-12-06","16:47:07",""
"1572483","15.0621","0.0014","7.4049","0.0008","18.0353","0.0015","90","","109.111","0.009","90","","1900.7","0.3","220","2","220","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-(4-chlorobenzyl)-3,3-difluoro-3a-(4-fluorobenzyl)octahydro-1H-indol-2-ol","","- C22 H23 Cl F3 N O -","- C22 H23 Cl F3 N O -","- C88 H92 Cl4 F12 N4 O4 -","4","1","","Chen, Kaixin; Lin, Jie; Jing, Jing; Wang, Junda; Hu, Jiayu; Yi, Hong; Lei, Aiwen; Li, Jie","Cobalt-catalyzed conformationally restricted alkylarylation enables divergent access to Csp<sup>3</sup>-rich N-heterocycles.","Chemical science","2024","15","39","16250","16258","10.1039/d4sc04056b","","","0.71073","MoKα","","0.0796","0.0538","","","0.1159","0.1345","","","","","","1.038","","","","has coordinates","296406","2024-12-06","16:47:07",""
"1572484","9.4827","0.0008","11.3393","0.0009","16.2357","0.0014","90","","90","","90","","1745.8","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1-(4-chlorophenyl)-3,3-difluoro-3a-(4-fluorobenzyl)hexahydrocyclopenta[b]pyrrol-2(1H)-one","","- C20 H17 Cl F3 N O -","- C20 H17 Cl F3 N O -","- C80 H68 Cl4 F12 N4 O4 -","4","1","","Chen, Kaixin; Lin, Jie; Jing, Jing; Wang, Junda; Hu, Jiayu; Yi, Hong; Lei, Aiwen; Li, Jie","Cobalt-catalyzed conformationally restricted alkylarylation enables divergent access to Csp<sup>3</sup>-rich N-heterocycles.","Chemical science","2024","15","39","16250","16258","10.1039/d4sc04056b","","","0.71073","MoKα","","0.0558","0.0413","","","0.0899","0.1001","","","","","","1.032","","","","has coordinates","296406","2024-12-06","16:47:07",""
"1572485","11.743","0.003","16.564","0.004","12.926","0.003","90","","120.721","0.017","90","","2161.4","1","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cl F2 N O S -","- C26 H20 Cl F2 N O S -","- C104 H80 Cl4 F8 N4 O4 S4 -","4","1","","Chen, Kaixin; Lin, Jie; Jing, Jing; Wang, Junda; Hu, Jiayu; Yi, Hong; Lei, Aiwen; Li, Jie","Cobalt-catalyzed conformationally restricted alkylarylation enables divergent access to Csp<sup>3</sup>-rich N-heterocycles.","Chemical science","2024","15","39","16250","16258","10.1039/d4sc04056b","","","1.34138","GaKα","","0.1409","0.0717","","","0.1765","0.2201","","","","","","1.013","","","","has coordinates","296406","2024-12-06","16:47:07",""
"1572486","9.1803","0.0002","12.075","0.0002","28.1968","0.0004","90","","96.323","0.001","90","","3106.66","0.1","149.99","0.1","149.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 -","- C20 H22 N2 -","- C160 H176 N16 -","8","2","","Cai, Heng; Tu, Yong-Qiang; Niu, Qiang; Xie, Wen-Ping; Wang, Bin; Lu, Ka; Li, Zi-Hao; Zhang, Fu-Min; Zhang, Xiao-Ming","CCC pincer Ru complex-catalyzed C-H vinylation/6π-E-cyclization of aldimines for constructing 4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidines.","Chemical science","2024","15","39","16216","16221","10.1039/d4sc05067c","","x-ray","1.54184","CuKα","","0.0696","0.0647","","","0.1855","0.1892","","","","","","1.079","","","","has coordinates","296398","2024-12-06","16:44:16",""
"1572487","10.02211","0.00019","10.3152","0.0002","16.3908","0.0003","90","","90","","90","","1694.48","0.06","303.64","0.1","303.64","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N2 -","- C20 H22 N2 -","- C80 H88 N8 -","4","1","","Cai, Heng; Tu, Yong-Qiang; Niu, Qiang; Xie, Wen-Ping; Wang, Bin; Lu, Ka; Li, Zi-Hao; Zhang, Fu-Min; Zhang, Xiao-Ming","CCC pincer Ru complex-catalyzed C-H vinylation/6π-E-cyclization of aldimines for constructing 4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidines.","Chemical science","2024","15","39","16216","16221","10.1039/d4sc05067c","","x-ray","1.54184","CuKα","","0.0444","0.0427","","","0.1116","0.1138","","","","","","1.059","","","","has coordinates","296398","2024-12-06","16:44:17",""
"1572488","5.9659","0.0002","12.6239","0.0005","21.0785","0.0008","90","","90","","90","","1587.48","0.1","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 N2 -","- C21 H20 N2 -","- C84 H80 N8 -","4","1","","Cai, Heng; Tu, Yong-Qiang; Niu, Qiang; Xie, Wen-Ping; Wang, Bin; Lu, Ka; Li, Zi-Hao; Zhang, Fu-Min; Zhang, Xiao-Ming","CCC pincer Ru complex-catalyzed C-H vinylation/6π-E-cyclization of aldimines for constructing 4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidines.","Chemical science","2024","15","39","16216","16221","10.1039/d4sc05067c","","","0.71073","MoKα","","0.0459","0.0376","","","0.0901","0.0943","","","","","","1.044","","","","has coordinates","296398","2024-12-06","16:44:17",""
"1572489","9.3172","0.0003","13.2929","0.0004","15.5466","0.0006","90","","90","","90","","1925.49","0.11","300.77","0.1","300.77","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H24 N2 -","- C24 H24 N2 -","- C96 H96 N8 -","4","1","","Cai, Heng; Tu, Yong-Qiang; Niu, Qiang; Xie, Wen-Ping; Wang, Bin; Lu, Ka; Li, Zi-Hao; Zhang, Fu-Min; Zhang, Xiao-Ming","CCC pincer Ru complex-catalyzed C-H vinylation/6π-E-cyclization of aldimines for constructing 4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidines.","Chemical science","2024","15","39","16216","16221","10.1039/d4sc05067c","","x-ray","1.54184","CuKα","","0.0477","0.044","","","0.1208","0.1241","","","","","","1.032","","","","has coordinates","296398","2024-12-06","16:44:17",""
"1572490","10.892","0.0003","20.1165","0.0007","9.3605","0.0003","90","","104.195","0.003","90","","1988.35","0.11","302.03","0.1","302.03","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N2 -","- C26 H22 N2 -","- C104 H88 N8 -","4","1","","Cai, Heng; Tu, Yong-Qiang; Niu, Qiang; Xie, Wen-Ping; Wang, Bin; Lu, Ka; Li, Zi-Hao; Zhang, Fu-Min; Zhang, Xiao-Ming","CCC pincer Ru complex-catalyzed C-H vinylation/6π-E-cyclization of aldimines for constructing 4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidines.","Chemical science","2024","15","39","16216","16221","10.1039/d4sc05067c","","x-ray","1.54184","CuKα","","0.0687","0.0497","","","0.1327","0.1529","","","","","","1.072","","","","has coordinates","296398","2024-12-06","16:44:17",""
"1572491","9.002","0.0002","10.8545","0.0002","12.0854","0.0002","109.707","0.002","101.745","0.002","98.816","0.002","1056.44","0.04","301.84","0.1","301.84","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C27 H22 N2 -","- C27 H22 N2 -","- C54 H44 N4 -","2","1","","Cai, Heng; Tu, Yong-Qiang; Niu, Qiang; Xie, Wen-Ping; Wang, Bin; Lu, Ka; Li, Zi-Hao; Zhang, Fu-Min; Zhang, Xiao-Ming","CCC pincer Ru complex-catalyzed C-H vinylation/6π-E-cyclization of aldimines for constructing 4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidines.","Chemical science","2024","15","39","16216","16221","10.1039/d4sc05067c","","x-ray","1.54184","CuKα","","0.0543","0.0461","","","0.1288","0.1368","","","","","","1.072","","","","has coordinates,has disorder","296398","2024-12-06","16:44:17",""
"1572492","10.2015","0.0005","18.4915","0.0008","18.9255","0.0009","90","","90","","90","","3570.1","0.3","242","","242","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C160 H184 N8 O16 -","8","2","","Xiao, Jichao; Jia, Tingting; Chen, Shuang; Pan, Mengxiao; Li, Xingwei","Ni-catalyzed enantioselective three-component reductive alkylacylation of alkenes: modular access to structurally complex α-amino ketones.","Chemical science","2024","15","37","15489","15495","10.1039/d4sc04561k","","","1.54178","CuKα","","0.0326","0.0317","","","0.0824","0.083","","","","","","1.091","","","","has coordinates","295167","2024-10-06","06:53:08",""
"1572493","17.0757","0.0003","17.0757","0.0003","13.5351","0.0003","90","","90","","120","","3417.82","0.11","200","","200","","","","","","","","","6","P 31","P 31","144","","","","- C21 H23 Br Cl N O2 -","- C21 H23 Br Cl N O2 -","- C126 H138 Br6 Cl6 N6 O12 -","6","2","","Xiao, Jichao; Jia, Tingting; Chen, Shuang; Pan, Mengxiao; Li, Xingwei","Ni-catalyzed enantioselective three-component reductive alkylacylation of alkenes: modular access to structurally complex α-amino ketones.","Chemical science","2024","15","37","15489","15495","10.1039/d4sc04561k","","","1.54178","CuKα","","0.0731","0.0662","","","0.1941","0.2039","","","","","","1.049","","","","has coordinates,has disorder","295167","2024-10-06","06:53:09",""
"1572494","17.5466","0.0005","4.9289","0.0002","23.3375","0.0006","90","","97.338","0.003","90","","2001.82","0.11","100.15","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 N7 O4 S -","- C17 H13 N7 O4 S -","- C68 H52 N28 O16 S4 -","4","1","","Miyazaki, Ryuya; Takada, Fumito; Kikuchi, Takunari; Oguro, Yuya; Kamata, Makoto; Yukawa, Takafumi; Kato, Kenta; Muto, Kei; Yamaguchi, Junichiro","2<i>H</i>-Thiazolo[4,5-<i>d</i>][1,2,3]triazole: synthesis, functionalization, and application in scaffold-hopping.","Chemical science","2024","15","38","15835","15840","10.1039/d4sc03874f","","x-ray","1.54184","CuKα","","0.0664","0.0583","","","0.1665","0.1746","","","","","","1.065","","","","has coordinates","295203","2024-10-06","07:13:07",""
"1572495","6.124","0.0002","10.0991","0.0003","14.9338","0.0006","80.551","0.003","86.987","0.003","77.131","0.002","888.07","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N5 S -","- C19 H23 N5 S -","- C38 H46 N10 S2 -","2","1","","Miyazaki, Ryuya; Takada, Fumito; Kikuchi, Takunari; Oguro, Yuya; Kamata, Makoto; Yukawa, Takafumi; Kato, Kenta; Muto, Kei; Yamaguchi, Junichiro","2<i>H</i>-Thiazolo[4,5-<i>d</i>][1,2,3]triazole: synthesis, functionalization, and application in scaffold-hopping.","Chemical science","2024","15","38","15835","15840","10.1039/d4sc03874f","","x-ray","1.54184","CuKα","","0.0383","0.0345","","","0.0916","0.0947","","","","","","1.065","","","","has coordinates","295203","2024-10-06","07:13:08",""
"1572496","13.067","0.003","13.067","0.003","13.365","0.004","90","","90","","120","","1976.3","0.9","291.15","","291.15","","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- C18.67 H24.67 Cu3 N O2.67 -","- C18.6666 H24.6664 Cu3 N O2.6666 -","- C55.9998 H73.9992 Cu9 N3 O7.9998 -","3","0.5","","Liu, Zheng; Fang, Jun-Jie; Wang, Zhi-Yi; Xie, Yun-Peng; Lu, Xing","Structural diversity of copper(i) alkynyl cluster-based coordination polymers utilizing bifunctional pyridine carboxylic acid ligands","Nanoscale","2024","16","38","17817","17824","10.1039/D4NR02543A","","","0.71073","MoKα","","0.0879","0.057","","","0.1457","0.1768","","","","","","1.073","","","","has coordinates,has disorder","295299","2024-10-06","08:56:16",""
"1572497","12.6843","0.001","14.1427","0.0009","14.7359","0.001","115.22","0.003","97.199","0.002","111.483","0.002","2097.4","0.3","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H43 Cu6 F6 N O4 -","- C39 H43 Cu6 F6 N O4 -","- C78 H86 Cu12 F12 N2 O8 -","2","1","","Liu, Zheng; Fang, Jun-Jie; Wang, Zhi-Yi; Xie, Yun-Peng; Lu, Xing","Structural diversity of copper(i) alkynyl cluster-based coordination polymers utilizing bifunctional pyridine carboxylic acid ligands","Nanoscale","2024","16","38","17817","17824","10.1039/D4NR02543A","","","0.71073","MoKα","","0.1309","0.1275","","","0.3268","0.338","","","","","","1.066","","","","has coordinates,has disorder","295299","2024-10-06","08:56:16",""
"1572498","11.6633","0.0007","18.9908","0.0012","20.1994","0.0013","81.451","0.002","89.413","0.002","74.577","0.002","4263","0.5","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H78 Cu10 F6 N6 O14 -","- C68 H60 Cu10 F6 N4 O12 -","- C136 H120 Cu20 F12 N8 O24 -","2","1","","Liu, Zheng; Fang, Jun-Jie; Wang, Zhi-Yi; Xie, Yun-Peng; Lu, Xing","Structural diversity of copper(i) alkynyl cluster-based coordination polymers utilizing bifunctional pyridine carboxylic acid ligands","Nanoscale","2024","16","38","17817","17824","10.1039/D4NR02543A","","x-ray","0.71073","MoKα","","0.0868","0.0721","","","0.1925","0.2119","","","","","","1.052","","","","has coordinates","295299","2024-10-06","08:56:16",""
"1572499","13.1388","0.0012","13.5488","0.0015","14.2759","0.0013","62.883","0.003","80.888","0.003","70.396","0.003","2130.8","0.4","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H84 Cu13 F6 N3 O10 -","- C70 H84 Cu13 F6 N3 O10 -","- C70 H84 Cu13 F6 N3 O10 -","1","0.5","","Liu, Zheng; Fang, Jun-Jie; Wang, Zhi-Yi; Xie, Yun-Peng; Lu, Xing","Structural diversity of copper(i) alkynyl cluster-based coordination polymers utilizing bifunctional pyridine carboxylic acid ligands","Nanoscale","2024","16","38","17817","17824","10.1039/D4NR02543A","","","0.71073","synchrotron","","0.1227","0.0772","","","0.2312","0.2662","","","","","","1.07","","","","has coordinates,has disorder","295299","2024-10-06","08:56:16",""
"1572500","14.8797","0.0009","15.9071","0.0009","19.7103","0.0013","98.802","0.002","109.142","0.002","108.741","0.002","3995.8","0.4","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C64.42 H69.04 Cu11 F12 N3.12 O10.17 -","- C64 H68 Cu11 F12 N3 O10 -","- C128 H136 Cu22 F24 N6 O20 -","2","1","","Liu, Zheng; Fang, Jun-Jie; Wang, Zhi-Yi; Xie, Yun-Peng; Lu, Xing","Structural diversity of copper(i) alkynyl cluster-based coordination polymers utilizing bifunctional pyridine carboxylic acid ligands","Nanoscale","2024","16","38","17817","17824","10.1039/D4NR02543A","","x-ray","0.71073","MoKα","","0.0615","0.0368","","","0.0935","0.104","","","","","","1.047","","","","has coordinates,has disorder","295299","2024-10-06","08:56:16",""
"1572501","23.8539","0.0002","15.6243","0.0001","24.1728","0.0002","90","","108.495","0.001","90","","8543.9","0.12","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78.19 H88 Cu12.5 F7.66 N2 O9.91 -","- C78.176 H88 Cu12.504 F7.662 N2 O9.908 -","- C312.704 H352 Cu50.016 F30.648 N8 O39.632 -","4","0.5","","Liu, Zheng; Fang, Jun-Jie; Wang, Zhi-Yi; Xie, Yun-Peng; Lu, Xing","Structural diversity of copper(i) alkynyl cluster-based coordination polymers utilizing bifunctional pyridine carboxylic acid ligands","Nanoscale","2024","16","38","17817","17824","10.1039/D4NR02543A","","x-ray","1.54184","CuKα","","0.0497","0.0484","","","0.1385","0.1395","","","","","","1.099","","","","has coordinates,has disorder","295299","2024-10-06","08:56:16",""
"1572502","13.3217","0.0005","14.0632","0.0005","14.6193","0.0006","62.395","0.001","81.888","0.001","64.942","0.001","2193.45","0.15","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H45 Cu6 F6 N O4 -","- C41 H45 Cu6 F6 N O4 -","- C82 H90 Cu12 F12 N2 O8 -","2","1","","Liu, Zheng; Fang, Jun-Jie; Wang, Zhi-Yi; Xie, Yun-Peng; Lu, Xing","Structural diversity of copper(i) alkynyl cluster-based coordination polymers utilizing bifunctional pyridine carboxylic acid ligands","Nanoscale","2024","16","38","17817","17824","10.1039/D4NR02543A","","","0.71073","MoKα","","0.0435","0.0425","","","0.1447","0.1462","","","","","","1.079","","","","has coordinates,has disorder","295299","2024-10-06","08:56:16",""
"1572503","24.31","0.003","18.092","0.0019","18.612","0.002","90","","94.883","0.004","90","","8156.2","1.6","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69.76 H90 Cu12 F6 N2 O8 -","- C69.762 H90 Cu12 F6 N2 O8 -","- C279.048 H360 Cu48 F24 N8 O32 -","4","1","","Liu, Zheng; Fang, Jun-Jie; Wang, Zhi-Yi; Xie, Yun-Peng; Lu, Xing","Structural diversity of copper(i) alkynyl cluster-based coordination polymers utilizing bifunctional pyridine carboxylic acid ligands","Nanoscale","2024","16","38","17817","17824","10.1039/D4NR02543A","","","0.71073","MoKα","","0.0751","0.0672","","","0.1812","0.1952","","","","","","1.099","","","","has coordinates,has disorder","295299","2024-10-06","08:56:16",""
"1572504","13.0606","0.0008","23.9965","0.0014","28.2045","0.0016","90","","90","","90","","8839.5","0.9","273.15","","273.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C76 H84 Cu14 F12 N2 O12 -","- C76 H84 Cu14 F12 N2 O12 -","- C304 H336 Cu56 F48 N8 O48 -","4","1","","Liu, Zheng; Fang, Jun-Jie; Wang, Zhi-Yi; Xie, Yun-Peng; Lu, Xing","Structural diversity of copper(i) alkynyl cluster-based coordination polymers utilizing bifunctional pyridine carboxylic acid ligands","Nanoscale","2024","16","38","17817","17824","10.1039/D4NR02543A","","","0.71073","MoKα","","0.0841","0.0689","","","0.1647","0.177","","","","","","1.086","","","","has coordinates,has disorder","295299","2024-10-06","08:56:16",""
"1572507","13.8982","0.0003","13.8982","0.0003","5.7651","0.0001","90","","90","","90","","1113.59","0.04","","","298","","","","100","","","","","4","I 4/m","-I 4","87","Gd8Ba5Co4O21","","","- Ba5 Co4 Gd8 O21 -","- Ba5 Co4 Gd8 O21 -","- Ba10 Co8 Gd16 O42 -","2","0.125","","Urushihara, D.; Maruyama, M.; Fukuda, K.; Asaka, T.","Synthesis and structural characterization of gadolinium barium cobalt oxide Gd8Ba5Co4O21 with CoO5 square pyramids","Journal of the Ceramic Society of Japan","2024","132","","252","256","10.2109/jcersj2.23200","","","","","","","","","","","","","","","","","","","","","has coordinates","294392","2024-09-05","06:36:07",""
"1572508","9.3455","0.0003","12.358","0.0003","14.8848","0.0003","108.452","0.002","92.03","0.002","97.599","0.002","1610.9","0.08","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","Ruthenium MACHO-(N-phenylformamide)","carbonyl-hydrido-(bis(2-(diphenylphosphino)ethyl)amine)-(N-phenylformamide)-ruthenium","","- C36 H36 N2 O2 P2 Ru -","- C36 H36 N2 O2 P2 Ru -","- C72 H72 N4 O4 P4 Ru2 -","2","1","","Luk, James; Goodfellow, Alister S.; More, Nachiket Deepak; Bühl, Michael; Kumar, Amit","Exploiting decarbonylation and dehydrogenation of formamides for the synthesis of ureas, polyureas, and poly(urea-urethanes).","Chemical science","2024","15","40","16594","16604","10.1039/d4sc03948c","","x-ray","0.71073","MoKα","","0.085","0.0522","","","0.0942","0.1017","","","","","","1.028","","","","has coordinates","296424","2024-12-06","16:54:10",""
"1572509","10.3385","0.0002","12.963","0.0002","15.3995","0.0004","85.247","0.002","80.723","0.002","85.758","0.001","2025.95","0.07","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","carbonyl-hydrido-(bis(2-(diphenylphosphino)ethyl)amine)-(N-benzylformamide)-ruthenium N-benzylformamide","","- C45 H47 N3 O3 P2 Ru -","- C45 H47 N3 O3 P2 Ru -","- C90 H94 N6 O6 P4 Ru2 -","2","1","","Luk, James; Goodfellow, Alister S.; More, Nachiket Deepak; Bühl, Michael; Kumar, Amit","Exploiting decarbonylation and dehydrogenation of formamides for the synthesis of ureas, polyureas, and poly(urea-urethanes).","Chemical science","2024","15","40","16594","16604","10.1039/d4sc03948c","","x-ray","0.71073","MoKα","","0.0652","0.0406","","","0.0751","0.0801","","","","","","1.015","","","","has coordinates","296424","2024-12-06","16:54:11",""
"1572510","6.54619","0.00005","12.52881","0.00009","15.12082","0.00015","90","","92.4078","0.0008","90","","1239.05","0.018","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-diaminopyrimidin-1-ium 3-carboxypyrazine-2-carboxylate monohydrate","","- C10 H12 N6 O5 -","- C10 H12 N6 O5 -","- C40 H48 N24 O20 -","4","1","","Bojarska, Joanna; Łyczko, Krzysztof; Breza, Martin; Mieczkowski, Adam","Recurrent Supramolecular Patterns in a Series of Salts of Heterocyclic Polyamines and Heterocyclic Dicarboxylic Acids: Synthesis, Single-Crystal X-ray Structure, Hirshfeld Surface Analysis, Energy Framework, and Quantum Chemical Calculations","Crystals","2024","14","8","733","","10.3390/cryst14080733","","x-ray","1.54184","CuKα","","0.0311","0.0295","","","0.0761","0.0773","","","","","","1.101","","","","has coordinates","294648","2024-09-06","08:49:43",""
"1572511","9.83584","0.00014","15.2908","0.0002","8.52118","0.00014","90","","112.316","0.0018","90","","1185.58","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4-diamino-6-chloropyrimidin-3-ium 3-carboxypyrazine-2-carboxylate","","- C10 H9 Cl N6 O4 -","- C10 H9 Cl N6 O4 -","- C40 H36 Cl4 N24 O16 -","4","1","","Bojarska, Joanna; Łyczko, Krzysztof; Breza, Martin; Mieczkowski, Adam","Recurrent Supramolecular Patterns in a Series of Salts of Heterocyclic Polyamines and Heterocyclic Dicarboxylic Acids: Synthesis, Single-Crystal X-ray Structure, Hirshfeld Surface Analysis, Energy Framework, and Quantum Chemical Calculations","Crystals","2024","14","8","733","","10.3390/cryst14080733","","x-ray","1.54184","CuKα","","0.0268","0.0251","","","0.0655","0.0666","","","","","","1.037","","","","has coordinates","294648","2024-09-06","08:49:45",""
"1572512","9.3148","0.0002","14.8388","0.0003","9.4812","0.0003","90","","108.486","0.003","90","","1242.88","0.06","129.5","0.1","129.5","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,6-diaminopurin-1-ium 3-carboxypyrazine-2-carboxylate","","- C11 H10 N8 O4 -","- C11 H10 N8 O4 -","- C44 H40 N32 O16 -","4","1","","Bojarska, Joanna; Łyczko, Krzysztof; Breza, Martin; Mieczkowski, Adam","Recurrent Supramolecular Patterns in a Series of Salts of Heterocyclic Polyamines and Heterocyclic Dicarboxylic Acids: Synthesis, Single-Crystal X-ray Structure, Hirshfeld Surface Analysis, Energy Framework, and Quantum Chemical Calculations","Crystals","2024","14","8","733","","10.3390/cryst14080733","","x-ray","1.54184","CuKα","","0.0388","0.0367","","","0.1001","0.1022","","","","","","1.07","","","","has coordinates","294648","2024-09-06","08:49:46",""
"1572513","25.774","0.0005","6.56343","0.00009","26.4567","0.0005","90","","116.307","0.003","90","","4012.05","0.16","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","'2,6-diamino-5-azapurin-9-ium 3-carboxypyrazine-2-carboxylate 2,6-diamino-5-azapurine sesquihydrate'","","- C14 H17 N16 O5.5 -","- C14 H17 N16 O5.5 -","- C112 H136 N128 O44 -","8","1","","Bojarska, Joanna; Łyczko, Krzysztof; Breza, Martin; Mieczkowski, Adam","Recurrent Supramolecular Patterns in a Series of Salts of Heterocyclic Polyamines and Heterocyclic Dicarboxylic Acids: Synthesis, Single-Crystal X-ray Structure, Hirshfeld Surface Analysis, Energy Framework, and Quantum Chemical Calculations","Crystals","2024","14","8","733","","10.3390/cryst14080733","","","1.54184","CuKα","","0.0327","0.0314","","","0.0819","0.0828","","","","","","1.031","","","","has coordinates","294648","2024-09-06","08:49:48",""
"1572514","10.9538","0.0003","3.79977","0.00011","27.193","0.0007","90","","96.586","0.003","90","","1124.36","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-diaminopyrimidin-1-ium 4-carboxythiophene-3-carboxylate","","- C10 H10 N4 O4 S -","- C10 H10 N4 O4 S -","- C40 H40 N16 O16 S4 -","4","1","","Bojarska, Joanna; Łyczko, Krzysztof; Breza, Martin; Mieczkowski, Adam","Recurrent Supramolecular Patterns in a Series of Salts of Heterocyclic Polyamines and Heterocyclic Dicarboxylic Acids: Synthesis, Single-Crystal X-ray Structure, Hirshfeld Surface Analysis, Energy Framework, and Quantum Chemical Calculations","Crystals","2024","14","8","733","","10.3390/cryst14080733","","x-ray","1.54184","CuKα","","0.0388","0.0342","","","0.091","0.0954","","","","","","1.045","","","","has coordinates","294648","2024-09-06","08:49:57",""
"1572515","10.2509","0.0002","4.64879","0.00011","27.0791","0.0007","90","","91.446","0.002","90","","1290.02","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2,4-diamino-6-chloropyrimidin-3-ium 4-carboxythiophene-3-carboxylate","","- C10 H9 Cl N4 O4 S -","- C10 H9 Cl N4 O4 S -","- C40 H36 Cl4 N16 O16 S4 -","4","1","","Bojarska, Joanna; Łyczko, Krzysztof; Breza, Martin; Mieczkowski, Adam","Recurrent Supramolecular Patterns in a Series of Salts of Heterocyclic Polyamines and Heterocyclic Dicarboxylic Acids: Synthesis, Single-Crystal X-ray Structure, Hirshfeld Surface Analysis, Energy Framework, and Quantum Chemical Calculations","Crystals","2024","14","8","733","","10.3390/cryst14080733","","x-ray","1.54184","CuKα","","0.0347","0.0306","","","0.0809","0.0847","","","","","","1.035","","","","has coordinates","294648","2024-09-06","08:50:00",""
"1572516","4.20086","0.00014","21.3241","0.0007","13.9944","0.0004","90","","91.394","0.003","90","","1253.24","0.07","100","0.1","100","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","4,6-diamino-2-thiopyrimidin-1,3-dium 4-carboxythiophene-3-carboxylate","","- C10 H10 N4 O4 S2 -","- C10 H10 N4 O4 S2 -","- C40 H40 N16 O16 S8 -","4","1","","Bojarska, Joanna; Łyczko, Krzysztof; Breza, Martin; Mieczkowski, Adam","Recurrent Supramolecular Patterns in a Series of Salts of Heterocyclic Polyamines and Heterocyclic Dicarboxylic Acids: Synthesis, Single-Crystal X-ray Structure, Hirshfeld Surface Analysis, Energy Framework, and Quantum Chemical Calculations","Crystals","2024","14","8","733","","10.3390/cryst14080733","","x-ray","1.54184","CuKα","","0.029","0.0288","","","0.0762","0.0766","","","","","","1.059","","","","has coordinates","294648","2024-09-06","08:50:05",""
"1572517","23.741","0.012","12.626","0.006","19.3","0.01","90","","108.642","0.009","90","","5482","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H21 Co1.5 N6 O4 -","- C25 H21 Co1.5 N6 O4 -","- C200 H168 Co12 N48 O32 -","8","1","","Xiao, Caihong; Du, Shaowu","First Examples of Metal-Organic Frameworks with Pore-Encapsulated [Co(CO)4]− Anions: Facile Synthesis, Crystal Structures and Stability Studies","Crystals","2024","14","8","731","","10.3390/cryst14080731","","","0.71073","MoKα","","","0.0439","","","0.1226","0.1387","","","","","","1.046","","","","has coordinates","294649","2024-09-06","08:51:18",""
"1572518","11.6083","0.0006","11.6083","0.0006","13.5342","0.0014","90","","90","","120","","1579.4","0.2","293","2","293","2","","","","","","","","5","P 3","P 3","143","","","","- C20.67 H14 Co N4 O2.67 -","- C20.6667 H14 Co N4 O2.66667 -","- C62 H42 Co3 N12 O8 -","3","1","","Xiao, Caihong; Du, Shaowu","First Examples of Metal-Organic Frameworks with Pore-Encapsulated [Co(CO)4]− Anions: Facile Synthesis, Crystal Structures and Stability Studies","Crystals","2024","14","8","731","","10.3390/cryst14080731","","","0.71073","MoKα","","0.0631","0.0602","","","0.1624","0.167","","","","","","1.081","","","","has coordinates","294649","2024-09-06","08:51:19",""
"1572519","12.2559","0.0006","12.2559","0.0006","15.4132","0.0016","90","","90","","90","","2315.2","0.3","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C12 H9 Co0.75 N2 O2 -","- C12 H9 Co0.75 N2 O2 -","- C96 H72 Co6 N16 O16 -","8","1","","Xiao, Caihong; Du, Shaowu","First Examples of Metal-Organic Frameworks with Pore-Encapsulated [Co(CO)4]− Anions: Facile Synthesis, Crystal Structures and Stability Studies","Crystals","2024","14","8","731","","10.3390/cryst14080731","","","0.71073","MoKα","","","0.0431","","","0.1198","0.1252","","","","","","1.002","","","","has coordinates","294649","2024-09-06","08:51:20",""
"1572520","9.6754","0.0002","16.7781","0.0003","9.1677","0.0002","90","","92.68","0.002","90","","1486.61","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H32 B10 N4 O20 -","- C14 H32 B10 N4 O20 -","- C28 H64 B20 N8 O40 -","2","0.5","","Al-Dulayymi, Ahmad R.; Beckett, Michael A.; Braganca, Radek; Coles, Simon J.; Horton, Peter N.; Rixon, Thomas A.","Tetrahydroxidohexaoxidopentaborate(1-) Salts of C6-Linked Substituted Diimidazolium and Dipyrrolidinium Cations: Synthesis, Characterization and XRD Studies","Inorganics","2024","12","8","220","","10.3390/inorganics12080220","","x-ray","0.71075","MoKα","","0.0414","0.0335","","","0.0809","0.0851","","","","","","1.031","","","","has coordinates","294650","2024-09-06","12:43:26",""
"1572521","9.7545","0.0003","15.4363","0.0004","17.0325","0.0005","90","","101.851","0.003","90","","2509.98","0.13","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H66 B14 N2 O32 -","- C22 H66 B14 N2 O32 -","- C44 H132 B28 N4 O64 -","2","0.5","","Al-Dulayymi, Ahmad R.; Beckett, Michael A.; Braganca, Radek; Coles, Simon J.; Horton, Peter N.; Rixon, Thomas A.","Tetrahydroxidohexaoxidopentaborate(1-) Salts of C6-Linked Substituted Diimidazolium and Dipyrrolidinium Cations: Synthesis, Characterization and XRD Studies","Inorganics","2024","12","8","220","","10.3390/inorganics12080220","","x-ray","0.71075","MoKα","","0.0607","0.0532","","","0.1443","0.1483","","","","","","1.052","","","","has coordinates,has disorder","294651","2024-09-06","12:43:46",""
"1572522","10.0823","0.0005","11.695","0.0004","15.7836","0.0006","90","","105.717","0.005","90","","1791.5","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H46 B10 N2 O20 -","- C20 H46 B10 N2 O20 -","- C40 H92 B20 N4 O40 -","2","0.5","","Al-Dulayymi, Ahmad R.; Beckett, Michael A.; Braganca, Radek; Coles, Simon J.; Horton, Peter N.; Rixon, Thomas A.","Tetrahydroxidohexaoxidopentaborate(1-) Salts of C6-Linked Substituted Diimidazolium and Dipyrrolidinium Cations: Synthesis, Characterization and XRD Studies","Inorganics","2024","12","8","220","","10.3390/inorganics12080220","","x-ray","0.71075","MoKα","","0.0611","0.0449","","","0.1219","0.1324","","","","","","1.039","","","","has coordinates","294652","2024-09-06","12:44:00",""
"1572523","10.0642","0.0001","11.5551","0.0001","15.7004","0.0002","90","","107.629","0.001","90","","1740.1","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H46 B10 N2 O20 -","- C18 H46 B10 N2 O20 -","- C36 H92 B20 N4 O40 -","2","0.5","","Al-Dulayymi, Ahmad R.; Beckett, Michael A.; Braganca, Radek; Coles, Simon J.; Horton, Peter N.; Rixon, Thomas A.","Tetrahydroxidohexaoxidopentaborate(1-) Salts of C6-Linked Substituted Diimidazolium and Dipyrrolidinium Cations: Synthesis, Characterization and XRD Studies","Inorganics","2024","12","8","220","","10.3390/inorganics12080220","","x-ray","1.54184","CuKα","","0.0439","0.0417","","","0.1259","0.129","","","","","","1.067","","","","has coordinates","294653","2024-09-06","12:44:14",""
"1572524","9.6641","0.0004","12.7484","0.0004","13.0913","0.0004","84.415","0.003","84.541","0.003","75.872","0.003","1552.4","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H42 B10 N2 O20 -","- C16 H42 B10 N2 O20 -","- C32 H84 B20 N4 O40 -","2","1","","Al-Dulayymi, Ahmad R.; Beckett, Michael A.; Braganca, Radek; Coles, Simon J.; Horton, Peter N.; Rixon, Thomas A.","Tetrahydroxidohexaoxidopentaborate(1-) Salts of C6-Linked Substituted Diimidazolium and Dipyrrolidinium Cations: Synthesis, Characterization and XRD Studies","Inorganics","2024","12","8","220","","10.3390/inorganics12080220","","x-ray","0.71075","MoKα","","0.0444","0.0358","","","0.0888","0.0929","","","","","","1.018","","","","has coordinates,has disorder","294654","2024-09-06","12:44:28",""
"1572525","9.4616","0.0004","9.478","0.0003","19.8856","0.0008","86.483","0.003","81.244","0.003","75.624","0.003","1706.79","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H42 B10 N4 O23 -","- C16 H42 B10 N4 O23 -","- C32 H84 B20 N8 O46 -","2","1","","Al-Dulayymi, Ahmad R.; Beckett, Michael A.; Braganca, Radek; Coles, Simon J.; Horton, Peter N.; Rixon, Thomas A.","Tetrahydroxidohexaoxidopentaborate(1-) Salts of C6-Linked Substituted Diimidazolium and Dipyrrolidinium Cations: Synthesis, Characterization and XRD Studies","Inorganics","2024","12","8","220","","10.3390/inorganics12080220","","x-ray","0.71075","MoKα","","0.0664","0.0457","","","0.1276","0.1431","","","","","","0.97","","","","has coordinates,has disorder","294655","2024-09-06","12:44:42",""
"1572526","9.0501","0.0002","9.1652","0.0002","9.5476","0.0002","104.254","0.002","94.968","0.002","103.538","0.002","737.43","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 B10 N4 O20 -","- C16 H28 B10 N4 O20 -","- C16 H28 B10 N4 O20 -","1","0.5","","Al-Dulayymi, Ahmad R.; Beckett, Michael A.; Braganca, Radek; Coles, Simon J.; Horton, Peter N.; Rixon, Thomas A.","Tetrahydroxidohexaoxidopentaborate(1-) Salts of C6-Linked Substituted Diimidazolium and Dipyrrolidinium Cations: Synthesis, Characterization and XRD Studies","Inorganics","2024","12","8","220","","10.3390/inorganics12080220","","x-ray","0.71075","MoKα","","0.0326","0.0312","","","0.088","0.089","","","","","","1.061","","","","has coordinates","294656","2024-09-06","12:45:01",""
"1572527","9.0534","0.0001","11.9367","0.0002","14.5824","0.0002","94.195","0.001","104.156","0.001","94.855","0.001","1515.35","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H42 B10 N2 O20 -","- C16 H42 B10 N2 O20 -","- C32 H84 B20 N4 O40 -","2","1","","Al-Dulayymi, Ahmad R.; Beckett, Michael A.; Braganca, Radek; Coles, Simon J.; Horton, Peter N.; Rixon, Thomas A.","Tetrahydroxidohexaoxidopentaborate(1-) Salts of C6-Linked Substituted Diimidazolium and Dipyrrolidinium Cations: Synthesis, Characterization and XRD Studies","Inorganics","2024","12","8","220","","10.3390/inorganics12080220","","x-ray","0.71075","MoKα","","0.0337","0.0314","","","0.0889","0.0906","","","","","","1.044","","","","has coordinates","294657","2024-09-06","12:45:16",""
"1572528","10.3375","0.0002","10.3375","0.0002","37.1443","0.0009","90","","90","","120","","3437.59","0.13","296","1","296","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- Ca26.83 Fe1.01 Mg3 Na0 Ni0 O84 P21 -","- Ca8.946 Fe0.338 Mg O28 P7 -","- Ca53.676 Fe2.028 Mg6 O168 P42 -","6","0.333333","","Galuskin, Evgeny V.; Galuskina, Irina O.; Kusz, Joachim; Książek, Maria; Vapnik, Yevgeny; Zieliński, Grzegorz","Karwowskiite, Ca9(Fe2+0.5□ 0.5)Mg(PO4)7—A New Merrillite Group Mineral from Paralava of the Hatrurim Complex, Daba-Siwaqa, Jordan","Minerals","2024","14","8","825","","10.3390/min14080825","","","1.54184","CuKα","","0.0217","0.0212","","","0.0535","0.054","","","","","","1.086","","","","has coordinates","294658","2024-09-06","19:50:20",""
"1572529","7.97347","0.00014","14.0397","0.0003","18.8868","0.0004","89.8034","0.0016","87.772","0.0016","74.1423","0.0016","2032.23","0.07","110","0.1","110","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C19 H19 Mo N O9 S -","- C19 H19 Mo N O9 S -","- C76 H76 Mo4 N4 O36 S4 -","4","2","","Dreher, Thorsten; Geciauskas, Lukas; Steinfeld, Samuel; Procacci, Barbara; Whitwood, Adrian C.; Lynam, Jason M.; Douthwaite, Richard E.; Duhme-Klair, Anne-K","Ligand-to-metal charge transfer facilitates photocatalytic oxygen atom transfer (OAT) with <i>cis</i>-dioxo molybdenum(vi)-Schiff base complexes.","Chemical science","2024","15","39","16186","16195","10.1039/d4sc02784a","","x-ray","1.54184","CuKα","","0.049","0.044","","","0.1166","0.1203","","","","","","1.064","","","","has coordinates,has disorder","296400","2024-12-06","16:44:44",""
"1572530","12.514","0.00014","6.72111","0.00008","23.5861","0.0003","90","","93.9945","0.0011","90","","1978.96","0.04","109.95","0.1","109.95","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Mo N O6 S2 -","- C17 H21 Mo N O6 S2 -","- C68 H84 Mo4 N4 O24 S8 -","4","1","","Dreher, Thorsten; Geciauskas, Lukas; Steinfeld, Samuel; Procacci, Barbara; Whitwood, Adrian C.; Lynam, Jason M.; Douthwaite, Richard E.; Duhme-Klair, Anne-K","Ligand-to-metal charge transfer facilitates photocatalytic oxygen atom transfer (OAT) with <i>cis</i>-dioxo molybdenum(vi)-Schiff base complexes.","Chemical science","2024","15","39","16186","16195","10.1039/d4sc02784a","","x-ray","1.54184","CuKα","","0.0287","0.0258","","","0.0643","0.0658","","","","","","1.039","","","","has coordinates,has disorder","296400","2024-12-06","16:44:45",""
"1572531","6.93153","0.0001","11.7456","0.00018","20.3314","0.0003","90","","94.9309","0.0013","90","","1649.15","0.04","110","0.1","110","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Mo N O7 -","- C16 H17 Mo N O7 -","- C64 H68 Mo4 N4 O28 -","4","1","","Dreher, Thorsten; Geciauskas, Lukas; Steinfeld, Samuel; Procacci, Barbara; Whitwood, Adrian C.; Lynam, Jason M.; Douthwaite, Richard E.; Duhme-Klair, Anne-K","Ligand-to-metal charge transfer facilitates photocatalytic oxygen atom transfer (OAT) with <i>cis</i>-dioxo molybdenum(vi)-Schiff base complexes.","Chemical science","2024","15","39","16186","16195","10.1039/d4sc02784a","","x-ray","1.54184","CuKα","","0.0303","0.0283","","","0.0665","0.0676","","","","","","1.066","","","","has coordinates,has disorder","296400","2024-12-06","16:44:45",""
"1572532","6.7559","0.0004","12.1951","0.0007","12.2098","0.0007","71.97","0.005","80.752","0.005","77.252","0.005","928.33","0.1","110","0.1","110","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C19 H19 F2 Mo N O5.5 -","- C19 H19 F2 Mo N O5.5 -","- C38 H38 F4 Mo2 N2 O11 -","2","1","","Dreher, Thorsten; Geciauskas, Lukas; Steinfeld, Samuel; Procacci, Barbara; Whitwood, Adrian C.; Lynam, Jason M.; Douthwaite, Richard E.; Duhme-Klair, Anne-K","Ligand-to-metal charge transfer facilitates photocatalytic oxygen atom transfer (OAT) with <i>cis</i>-dioxo molybdenum(vi)-Schiff base complexes.","Chemical science","2024","15","39","16186","16195","10.1039/d4sc02784a","","x-ray","1.54184","CuKα","","0.0292","0.0279","","","0.066","0.0668","","","","","","1.056","","","","has coordinates,has disorder","296400","2024-12-06","16:44:45",""
"1572533","13.3516","0.0003","14.811","0.0003","11.4468","0.0003","90","","112.217","0.003","90","","2095.56","0.1","110","0.1","110","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 F6 Mo N O6 -","- C19 H17 F6 Mo N O6 -","- C76 H68 F24 Mo4 N4 O24 -","4","1","","Dreher, Thorsten; Geciauskas, Lukas; Steinfeld, Samuel; Procacci, Barbara; Whitwood, Adrian C.; Lynam, Jason M.; Douthwaite, Richard E.; Duhme-Klair, Anne-K","Ligand-to-metal charge transfer facilitates photocatalytic oxygen atom transfer (OAT) with <i>cis</i>-dioxo molybdenum(vi)-Schiff base complexes.","Chemical science","2024","15","39","16186","16195","10.1039/d4sc02784a","","x-ray","1.54184","CuKα","","0.0326","0.0297","","","0.0773","0.0793","","","","","","1.058","","","","has coordinates,has disorder","296400","2024-12-06","16:44:45",""
"1572534","5.1775","0.0004","11.4157","0.001","7.2715","0.0005","90","","90","","90","","429.78","0.06","297","","297","","","","","","","","","5","A m m 2","A 2 -2","38","","","","- B3 K2 La2 Na O9 -","- B3 K2 La2 Na O9 -","- B6 K4 La4 Na2 O18 -","2","0.25","","Song, Jie; Zhao, Huijian; Li, Conggang; Ye, Ning; Hu, Zhanggui; Wu, Yicheng","A-site cation manipulation of exemplary second harmonic generation response and optical anisotropy in rare-earth borates.","Chemical science","2024","15","39","16196","16204","10.1039/d4sc05081a","","x-ray","0.71073","MoKα","","0.05","0.0497","","","0.1276","0.1279","","","","","","1.121","","","","has coordinates","296399","2024-12-06","16:44:26",""
"1572535","6.7996","0.0013","16.42","0.003","9.4868","0.0017","90","","90","","90","","1059.2","0.3","273.15","","273.15","","","","","","","","","4","P n c 2","P 2 -2bc","30","","","","- B3 K3 La2 O9 -","- B3 K3 La2 O9 -","- B12 K12 La8 O36 -","4","1","","Song, Jie; Zhao, Huijian; Li, Conggang; Ye, Ning; Hu, Zhanggui; Wu, Yicheng","A-site cation manipulation of exemplary second harmonic generation response and optical anisotropy in rare-earth borates.","Chemical science","2024","15","39","16196","16204","10.1039/d4sc05081a","","x-ray","0.71073","MoKα","","0.0518","0.0399","","","0.0938","0.096","","","","","","0.983","","","","has coordinates,has disorder","296399","2024-12-06","16:44:27",""
"1572536","19.1121","0.0013","13.8417","0.0009","30.0202","0.0017","90","","90","","90","","7941.7","0.9","150","2","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C53 H42 N2 -","- C53 H42 N2 -","- C424 H336 N16 -","8","1","","Li, Qian; Guo, Yusong; Lan, Jingbo; Yang, Yudong; Wu, Di; Bin, Zhengyang","Spirobifluorene-based hole-transporting materials for RGB OLEDs with high efficiency and low efficiency roll-off.","Chemical science","2024","15","39","16096","16102","10.1039/d4sc04979a","","","0.71073","MoKα","","0.0877","0.0537","","","0.1284","0.1548","","","","","","1.039","","","","has coordinates","296403","2024-12-06","16:45:42",""
"1572537","15.2944","0.0004","20.2938","0.0006","25.559","0.0009","90","","96.449","0.002","90","","7882.8","0.4","213","2","213","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C74 H98 B N4 O2 Y2 -","- C74 H98 B N4 O2 Y2 -","- C296 H392 B4 N16 O8 Y8 -","4","0.5","","Mavragani, Niki; Kitos, Alexandros A.; Mansikkamäki, Akseli; Murugesu, Muralee","Stabilizing an exotic dianionic tetrazine bridge in a Ln<sub>2</sub> metallocene.","Chemical science","2024","15","39","16234","16242","10.1039/d4sc03734k","","","0.71073","MoKα","","0.0465","0.0337","","","0.0875","0.0954","","","","","","1.037","","","","has coordinates","296402","2024-12-06","16:45:33",""
"1572538","14.2304","0.0008","13.3587","0.0008","15.0126","0.001","90","","95.235","0.004","90","","2842","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H94 N4 O4 Y2 -","- C58 H94 N4 O4 Y2 -","- C116 H188 N8 O8 Y4 -","2","0.5","","Mavragani, Niki; Kitos, Alexandros A.; Mansikkamäki, Akseli; Murugesu, Muralee","Stabilizing an exotic dianionic tetrazine bridge in a Ln<sub>2</sub> metallocene.","Chemical science","2024","15","39","16234","16242","10.1039/d4sc03734k","","","0.71073","MoKα","","0.0718","0.0471","","","0.1282","0.147","","","","","","1.046","","","","has coordinates,has disorder","296402","2024-12-06","16:45:33",""
"1572539","14.3222","0.0004","13.3614","0.0003","14.9998","0.0004","90","","94.976","0.001","90","","2859.61","0.13","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H94 Gd2 N4 O4 -","- C58 H94 Gd2 N4 O4 -","- C116 H188 Gd4 N8 O8 -","2","0.5","","Mavragani, Niki; Kitos, Alexandros A.; Mansikkamäki, Akseli; Murugesu, Muralee","Stabilizing an exotic dianionic tetrazine bridge in a Ln<sub>2</sub> metallocene.","Chemical science","2024","15","39","16234","16242","10.1039/d4sc03734k","","","0.71073","MoKα","","0.0563","0.046","","","0.1112","0.1233","","","","","","1.076","","","","has coordinates,has disorder","296402","2024-12-06","16:45:33",""
"1572540","7.3526","0.001","8.3354","0.0013","10.4053","0.0017","97.221","0.006","102.413","0.006","111.334","0.005","565.36","0.15","301","2","301","2","","","","","","","","4","P -1","-P 1","2","","<i>catena</i>-Poly[[(8-aminoquinoline)cobalt(II)]-di-μ-azido-κ^4^<i>N</i>^1^:<i>N</i>^3^-[(8-aminoquinoline)cobalt(II)]-di-μ-azido-κ^4^<i>N</i>^1^:<i>N</i>^1^]","","- C9 H8 Co N8 -","- C9 H8 Co N8 -","- C18 H16 Co2 N16 -","2","1","BT4154","Setifi, Fatima; Setifi, Zouaoui; Geiger, David K.; Al-Douh, Mohammed Hadi; Addala, Abderezak","catena-Poly[[(8-aminoquinoline)cobalt(II)]-di-μ-azido]","IUCrData","2024","9","9","","","10.1107/S2414314624008496","","","0.71073","MoKα","","0.0361","0.0314","","","0.0848","0.0875","","","","","","1.058","","","","has coordinates","294670","2024-09-07","01:58:00",""
"1572541","9.342","0.003","10.524","0.003","11.967","0.004","73.831","0.01","79.643","0.011","72.648","0.01","1072.6","0.6","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-1-(3,4-Dimethoxyphenyl)-3-(1,3-diphenyl-1<i>H</i>-pyrazol-4-yl)prop-2-en-1-one","","- C26 H22 N2 O3 -","- C26 H22 N2 O3 -","- C52 H44 N4 O6 -","2","1","HB4483","Sung, Jiha","(E)-1-(3,4-Dimethoxyphenyl)-3-(1,3-diphenyl-1H-pyrazol-4-yl)prop-2-en-1-one","IUCrData","2024","9","9","","","10.1107/S2414314624008666","","","0.71073","MoKα","","0.0595","0.0443","","","0.1065","0.1154","","","","","","1.041","","","","has coordinates","294671","2024-09-07","01:58:23",""
"1572542","10.9657","0.0004","10.9657","0.0004","19.0815","0.001","90","","90","","120","","1987.08","0.15","304","","304","","","","","","","","","5","P 65","P 65","170","","","","- C11 H12 N2 O5 Zn -","- C11 H12 N2 O5 Zn -","- C66 H72 N12 O30 Zn6 -","6","1","","Song, Ting; Zhu, Yinning; Li, Zhehao; Mei, Zhewei; Shao, Zhen-Wu; Liu, Chong","A Robust Zn-Hydroxamate Metal–Organic Framework Constructed from an Unsymmetrical Ligand for Iodine Capture","Symmetry","2024","16","8","1049","","10.3390/sym16081049","","","0.71073","MoKα","","0.0527","0.0396","","","0.0927","0.0981","","","","","","1.034","","","","has coordinates","294672","2024-09-07","02:23:16",""
"1572543","8.3334","0.0012","11.9948","0.0017","16.823","0.002","94.916","0.004","99.085","0.004","94.038","0.004","1648.3","0.4","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H29 N9 O4 -","- C39 H29 N9 O4 -","- C78 H58 N18 O8 -","2","1","","Moral, Rubi; Das, Gopal","Exploring the gelation and AIE properties of a tripodal acylhydrazone-based probe: turn-on Zn(II) sensing in HEPES buffer.","Soft matter","2024","20","38","7668","7677","10.1039/d4sm00787e","","","0.71073","MoKα","","0.1358","0.0824","","","0.2168","0.2981","","","","","","1.107","","","","has coordinates","295348","2024-10-06","09:30:20",""
"1572544","18.3937","0.0009","9.9807","0.0005","26.3497","0.0013","90","","104.753","0.002","90","","4677.9","0.4","100","","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N2 O2 S -","- C28 H26 N2 O2 S -","- C224 H208 N16 O16 S8 -","8","2","","Kumar, Manish; Singh, Bharat; Singh, Sugandha; Verma, Indresh; Kar, Kamal K.; Ghorai, Manas K.","A metal-free route to substituted imidazolidines via ring-opening cyclization (ROC) of activated aziridines with N-benzylanilines: DA-COP catalyzed photo-oxidative C–H activation","Catalysis Science & Technology","2024","14","21","6411","6419","10.1039/D4CY00808A","","x-ray","0.71073","MoKα","","0.0629","0.0462","","","0.1049","0.1157","","","","","","1.077","","","","has coordinates","296256","2024-12-06","14:28:28",""
"1572545","9.6477","0.0007","10.3442","0.0008","15.3145","0.0012","88.415","0.001","72.422","0.001","63.567","0.001","1294.42","0.17","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H36 Hf N2 Si -","- C27 H36 Hf N2 Si -","- C54 H72 Hf2 N4 Si2 -","2","1","","Kulyabin, Pavel S.; Goryunov, Georgy P.; Iashin, Andrei N.; Mladentsev, Dmitry Y.; Uborsky, Dmitry V.; Ehm, Christian; Canich, Jo Ann M.; Hagadorn, John R.; Voskoboynikov, Alexander Z.","Reversible C-C bond formation in group 4 metal complexes: nitrile extrusion <i>via</i> β-aryl elimination.","Chemical science","2024","15","38","15825","15834","10.1039/d4sc02173h","","x-ray","0.71073","MoKα","","0.036","0.0338","","","0.0881","0.0892","","","","","","1.028","","","","has coordinates","295201","2024-10-06","07:12:43",""
"1572546","9.4363","0.0004","9.4941","0.0004","16.9652","0.0007","83.659","0.001","80.491","0.001","70.284","0.001","1408.68","0.1","112","2","112","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H39 Hf N3 Si -","- C29 H39 Hf N3 Si -","- C58 H78 Hf2 N6 Si2 -","2","1","","Kulyabin, Pavel S.; Goryunov, Georgy P.; Iashin, Andrei N.; Mladentsev, Dmitry Y.; Uborsky, Dmitry V.; Ehm, Christian; Canich, Jo Ann M.; Hagadorn, John R.; Voskoboynikov, Alexander Z.","Reversible C-C bond formation in group 4 metal complexes: nitrile extrusion <i>via</i> β-aryl elimination.","Chemical science","2024","15","38","15825","15834","10.1039/d4sc02173h","","","0.71073","MoKα","","0.0369","0.0301","","","0.0553","0.0572","","","","","","1.013","","","","has coordinates","295201","2024-10-06","07:12:45",""
"1572547","9.488","0.0003","38.1993","0.0014","9.6016","0.0003","90","","114.088","0.001","90","","3176.92","0.18","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H45 Hf N3 Si -","- C32 H45 Hf N3 Si -","- C128 H180 Hf4 N12 Si4 -","4","2","","Kulyabin, Pavel S.; Goryunov, Georgy P.; Iashin, Andrei N.; Mladentsev, Dmitry Y.; Uborsky, Dmitry V.; Ehm, Christian; Canich, Jo Ann M.; Hagadorn, John R.; Voskoboynikov, Alexander Z.","Reversible C-C bond formation in group 4 metal complexes: nitrile extrusion <i>via</i> β-aryl elimination.","Chemical science","2024","15","38","15825","15834","10.1039/d4sc02173h","","","0.71073","MoKα","","0.0524","0.0469","","","0.0903","0.0932","","","","","","1.032","","","","has coordinates","295201","2024-10-06","07:12:45",""
"1572548","9.2803","0.0007","37.819","0.003","9.6856","0.0007","90","","114.12","0.0015","90","","3102.6","0.4","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H40 Br0.5 Cl0.5 Hf N3 Si -","- C30 H40 Br0.5 Cl0.5 Hf N3 Si -","- C120 H160 Br2 Cl2 Hf4 N12 Si4 -","4","2","","Kulyabin, Pavel S.; Goryunov, Georgy P.; Iashin, Andrei N.; Mladentsev, Dmitry Y.; Uborsky, Dmitry V.; Ehm, Christian; Canich, Jo Ann M.; Hagadorn, John R.; Voskoboynikov, Alexander Z.","Reversible C-C bond formation in group 4 metal complexes: nitrile extrusion <i>via</i> β-aryl elimination.","Chemical science","2024","15","38","15825","15834","10.1039/d4sc02173h","","","0.71073","MoKα","","0.052","0.0447","","","0.0915","0.0942","","","","","","1.02","","","","has coordinates","295201","2024-10-06","07:12:45",""
"1572549","10.4428","0.0007","12.0367","0.001","15.1051","0.001","84.604","0.004","76.557","0.003","65.977","0.004","1686.7","0.2","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H50 N4 Zr -","- C36 H50 N4 Zr -","- C72 H100 N8 Zr2 -","2","1","","Kulyabin, Pavel S.; Goryunov, Georgy P.; Iashin, Andrei N.; Mladentsev, Dmitry Y.; Uborsky, Dmitry V.; Ehm, Christian; Canich, Jo Ann M.; Hagadorn, John R.; Voskoboynikov, Alexander Z.","Reversible C-C bond formation in group 4 metal complexes: nitrile extrusion <i>via</i> β-aryl elimination.","Chemical science","2024","15","38","15825","15834","10.1039/d4sc02173h","","","0.71073","MoKα","","0.0744","0.0611","","","0.1401","0.1538","","","","","","1.051","","","","has coordinates,has disorder","295201","2024-10-06","07:12:45",""
"1572550","16.1939","0.0014","15.9751","0.001","27.1492","0.0016","90","","90","","90","","7023.5","0.9","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H50 Hf N4 Si -","- C35 H50 Hf N4 Si -","- C280 H400 Hf8 N32 Si8 -","8","1","","Kulyabin, Pavel S.; Goryunov, Georgy P.; Iashin, Andrei N.; Mladentsev, Dmitry Y.; Uborsky, Dmitry V.; Ehm, Christian; Canich, Jo Ann M.; Hagadorn, John R.; Voskoboynikov, Alexander Z.","Reversible C-C bond formation in group 4 metal complexes: nitrile extrusion <i>via</i> β-aryl elimination.","Chemical science","2024","15","38","15825","15834","10.1039/d4sc02173h","","","0.71073","MoKα","","0.0661","0.0431","","","0.0846","0.0978","","","","","","1.036","","","","has coordinates","295201","2024-10-06","07:12:45",""
"1572551","44.5128","0.0008","44.5128","0.0008","9.3817","0.0003","90","","90","","120","","16098.4","0.7","120","","120","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C41 H46 Hf N4 Si -","- C41 H46 Hf N4 Si -","- C738 H828 Hf18 N72 Si18 -","18","1","","Kulyabin, Pavel S.; Goryunov, Georgy P.; Iashin, Andrei N.; Mladentsev, Dmitry Y.; Uborsky, Dmitry V.; Ehm, Christian; Canich, Jo Ann M.; Hagadorn, John R.; Voskoboynikov, Alexander Z.","Reversible C-C bond formation in group 4 metal complexes: nitrile extrusion <i>via</i> β-aryl elimination.","Chemical science","2024","15","38","15825","15834","10.1039/d4sc02173h","","","0.71073","MoKα","","0.053","0.0406","","","0.0814","0.0872","","","","","","1.025","","","","has coordinates","295201","2024-10-06","07:12:45",""
"1572552","30.058","0.0002","30.058","0.0002","45.2905","0.0003","90","","90","","120","","35437.1","0.4","100.02","0.13","100.15","","","","","","","","","5","R 3 :H","R 3","146","","","","- C106 H124 Cl4 N8 O12 -","- C106 H124 Cl4 N8 O12 -","- C954 H1116 Cl36 N72 O108 -","9","1","","Hu, Ming; Ye, Feng-Ying; Yu, Wei; Sheng, Kang; Xu, Zhi-Rong; Fu, Jin-Jin; Wen, Xin; Feng, Hai-Tao; Liu, Minghua; Zheng, Yan-Song","Highly enhanced chiroptical effect from self-inclusion helical nanocrystals of tetraphenylethylene bimacrocycles.","Chemical science","2024","15","40","16627","16636","10.1039/d4sc03599b","","","1.54184","CuKα","","0.0789","0.0722","","","0.2064","0.2131","","","","","","1.052","","","","has coordinates","296430","2024-12-06","16:58:18",""
"1572553","29.7705","0.0003","26.2949","0.0003","8.8623","0.0001","90","","90","","90","","6937.52","0.13","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C65 H66 Cl2 N4 O10 -","- C65 H66 Cl2 N4 O10 -","- C260 H264 Cl8 N16 O40 -","4","1","","Hu, Ming; Ye, Feng-Ying; Yu, Wei; Sheng, Kang; Xu, Zhi-Rong; Fu, Jin-Jin; Wen, Xin; Feng, Hai-Tao; Liu, Minghua; Zheng, Yan-Song","Highly enhanced chiroptical effect from self-inclusion helical nanocrystals of tetraphenylethylene bimacrocycles.","Chemical science","2024","15","40","16627","16636","10.1039/d4sc03599b","","x-ray","1.54184","CuKα","","0.0596","0.052","","","0.1446","0.1509","","","","","","1.038","","","","has coordinates,has disorder","296430","2024-12-06","16:58:19",""
"1572554","19.334","0.005","13.388","0.004","23.028","0.009","90","","112.142","0.003","90","","5521","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H76 Fe Li2 N4 O2 -","- C52 H76 Fe Li2 N4 O2 -","- C208 H304 Fe4 Li8 N16 O8 -","4","1","","Hertler, Phoebe R.; Sauza-de la Vega, Arturo; Darù, Andrea; Sarkar, Arup; Lewis, Richard A.; Wu, Guang; Gagliardi, Laura; Hayton, Trevor W.","A homoleptic Fe(iv) ketimide complex with a low-lying excited state.","Chemical science","2024","15","40","16559","16566","10.1039/d4sc04880f","","","0.71073","MoKα","","0.1319","0.0776","","","0.1998","0.2339","","","","","","1.017","","","","has coordinates","296426","2024-12-06","16:55:06",""
"1572555","23.042","0.006","9.565","0.003","21.412","0.008","90","","121.565","0.005","90","","4021","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H56 Fe N4 -","- C44 H56 Fe N4 -","- C176 H224 Fe4 N16 -","4","0.5","","Hertler, Phoebe R.; Sauza-de la Vega, Arturo; Darù, Andrea; Sarkar, Arup; Lewis, Richard A.; Wu, Guang; Gagliardi, Laura; Hayton, Trevor W.","A homoleptic Fe(iv) ketimide complex with a low-lying excited state.","Chemical science","2024","15","40","16559","16566","10.1039/d4sc04880f","","","0.71073","MoKα","","0.0701","0.0441","","","0.0565","0.0603","","","","","","1.381","","","","has coordinates","296426","2024-12-06","16:55:07",""
"1572556","23.477","0.012","9.781","0.005","21.869","0.016","90","","122.075","0.008","90","","4255","4","287","2","287","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H56 Fe N4 -","- C44 H56 Fe N4 -","- C176 H224 Fe4 N16 -","4","0.5","","Hertler, Phoebe R.; Sauza-de la Vega, Arturo; Darù, Andrea; Sarkar, Arup; Lewis, Richard A.; Wu, Guang; Gagliardi, Laura; Hayton, Trevor W.","A homoleptic Fe(iv) ketimide complex with a low-lying excited state.","Chemical science","2024","15","40","16559","16566","10.1039/d4sc04880f","","","0.71073","MoKα","","0.0779","0.0581","","","0.1466","0.1607","","","","","","1.021","","","","has coordinates","296426","2024-12-06","16:55:07",""
"1572557","12.6131","0.0005","23.9374","0.0009","16.1455","0.0007","90","","109.519","0.001","90","","4594.6","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 F18 Fe N10 P2 -","- C40 H40 F18 Fe N10 P2 -","- C160 H160 F72 Fe4 N40 P8 -","4","1","","Demirel, Nemrud; Dawor, Mahiob; Nadler, Greta; Ivlev, Sergei I.; Meggers, Eric","Stereogenic-at-iron mesoionic carbene complex for enantioselective C-H amidation.","Chemical science","2024","15","38","15625","15631","10.1039/d4sc03504f","","","0.71073","MoKα","","0.0498","0.037","","","0.0791","0.0842","","","","","","1.026","","","","has coordinates","295211","2024-10-06","07:14:57",""
"1572558","11.2151","0.0007","11.2151","0.0007","39.789","0.004","90","","90","","120","","4334.1","0.6","100","","100","","","","","","","","","6","P 32","P 32","145","","","","- C52 H60 F12 Fe N8 P2 -","- C52 H60 F12 Fe N8 P2 -","- C156 H180 F36 Fe3 N24 P6 -","3","1","","Demirel, Nemrud; Dawor, Mahiob; Nadler, Greta; Ivlev, Sergei I.; Meggers, Eric","Stereogenic-at-iron mesoionic carbene complex for enantioselective C-H amidation.","Chemical science","2024","15","38","15625","15631","10.1039/d4sc03504f","","","0.71073","MoKα","","0.0495","0.0484","","","0.1274","0.1283","","","","","","1.094","","","","has coordinates,has disorder","295211","2024-10-06","07:14:57",""
"1572559","12.2526","0.0005","13.4256","0.0004","20.2744","0.0008","84.787","0.001","80.556","0.001","76.504","0.001","3194.3","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C53 H50 Cl6 F18 Fe N10 P2 -","- C53 H50 Cl6 F18 Fe N10 P2 -","- C106 H100 Cl12 F36 Fe2 N20 P4 -","2","1","","Demirel, Nemrud; Dawor, Mahiob; Nadler, Greta; Ivlev, Sergei I.; Meggers, Eric","Stereogenic-at-iron mesoionic carbene complex for enantioselective C-H amidation.","Chemical science","2024","15","38","15625","15631","10.1039/d4sc03504f","","","0.71073","MoKα","","0.0682","0.0606","","","0.1488","0.1539","","","","","","1.069","","","","has coordinates,has disorder","295211","2024-10-06","07:14:57",""
"1572560","6.8078","0.0018","31.102","0.008","12.122","0.003","90","","99.747","0.008","90","","2529.6","1.1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 N O3 S -","- C31 H27 N O3 S -","- C124 H108 N4 O12 S4 -","4","1","","Sarkar, Deeptanu; Deswal, Shiksha; Chandra Das, Rohan; Biju, Akkattu T.","Lewis acid-catalyzed (3 + 2) annulation of bicyclobutanes with ynamides: access to 2-amino-bicyclo[2.1.1]hexenes.","Chemical science","2024","15","39","16243","16249","10.1039/d4sc03893b","","","0.71073","MoKα","","0.0475","0.0427","","","0.1056","0.1083","","","","","","1.097","","","","has coordinates","296397","2024-12-06","16:43:54",""
"1572561","9.8956","0.0005","10.1319","0.0005","11.9988","0.0009","90","","90","","90","","1203.01","0.12","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Spieß, Philipp; Brześkiewicz, Jakub; Maulide, Nuno","Deprotective Lossen rearrangement: a direct and general transformation of Nms-amides to unsymmetrical ureas.","Chemical science","2024","15","38","15799","15803","10.1039/d4sc04974h","","x-ray","0.71073","MoKα","","0.0477","0.0378","","","0.0813","0.0825","","","","","","1.048","","","","has coordinates","295208","2024-10-06","07:14:15",""
"1572562","21.3525","0.0012","8.6525","0.0005","11.7801","0.0008","90","","105.852","0.005","90","","2093.6","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N4 O4 -","- C24 H24 N4 O4 -","- C96 H96 N16 O16 -","4","1","","Spieß, Philipp; Brześkiewicz, Jakub; Maulide, Nuno","Deprotective Lossen rearrangement: a direct and general transformation of Nms-amides to unsymmetrical ureas.","Chemical science","2024","15","38","15799","15803","10.1039/d4sc04974h","","x-ray","1.54186","CuKα","","0.1117","0.0549","","","0.1138","0.147","","","","","","1.039","","","","has coordinates","295208","2024-10-06","07:14:15",""
"1572563","8.0672","0.0003","13.059","0.0007","24.6529","0.0012","90","","90.676","0.002","90","","2597","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H58 Cl2 N4 O6 -","- C59 H58 Cl2 N4 O6 -","- C118 H116 Cl4 N8 O12 -","2","0.5","","Printz, Gaël; Shuvo, Redoy Gazi; Schweizer, Antoine; Ryzhakov, Dmytro; Gourlaouen, Christophe; Lantigner, Lielou; Jacques, Béatrice; Messaoudi, Samir; Le Bideau, Franck; Dagorne, Samuel","N-Heterocyclic carbene-initiated epoxide/anhydride ring-opening copolymerization: effective and selective organoinitiators for the production of various polyesters","Polymer Chemistry","2024","15","38","3901","3906","10.1039/D4PY00778F","","","0.71073","MoKα","","0.0732","0.0514","","","0.121","0.1359","","","","","","1.025","","","","has coordinates","295347","2024-10-06","09:28:41",""
"1572564","12.7605","0.0002","22.4142","0.0004","25.0233","0.0004","90","","93.055","0.001","90","","7146.9","0.2","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-Chlorido-bis{[1-benzyl-3-(2,4,6-trimethylphenyl)imidazol-2-ylideneκ<i>C</i>]silver(I)} chloride 1,2-dichloroethane hemisolvate","","- C77 H82 Ag2 Cl3 N8 -","- C77 H82 Ag2 Cl3 N8 -","- C308 H328 Ag8 Cl12 N32 -","4","1","ZL4077","Malek, Kotiba; Arumugam, Kuppuswamy","μ-Chlorido-bis{[1-benzyl-3-(2,4,6-trimethylphenyl)imidazol-2-ylidene-κC]silver(I)} chloride 1,2-dichloroethane hemisolvate","IUCrData","2024","9","9","","","10.1107/S2414314624008617","","","1.54178","CuKα","","0.039","0.0365","","","0.0903","0.0929","","","","","","1.059","","","","has coordinates,has disorder","294714","2024-09-11","01:51:26",""
"1572565","11.7578","0.0007","11.7959","0.0008","21.4886","0.0013","104.299","0.002","95.141","0.002","106.641","0.002","2725.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30.5 H21 Cl3 N2 Pt -","- C30.5 H21 Cl3 N2 Pt -","- C122 H84 Cl12 N8 Pt4 -","4","2","","Ota, Seiya; Soto, Miguel A.; Patrick, Brian O.; Kamal, Saeid; Lelj, Francesco; MacLachlan, Mark J.","π-Extended ligands with dual-binding behavior: hindered rotation unlocks unexpected reactivity in cyclometalated Pt complexes.","Chemical science","2024","15","36","14644","14650","10.1039/d4sc04799k","","x-ray","0.71073","MoKα","","0.0813","0.0475","","","0.0923","0.0994","","","","","","1.056","","","","has coordinates","295189","2024-10-06","07:05:50",""
"1572566","16.2246","0.0007","7.6549","0.0003","18.0393","0.0008","90","","109.503","0.001","90","","2111.89","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 N2 Pt -","- C30 H20 N2 Pt -","- C120 H80 N8 Pt4 -","4","1","","Ota, Seiya; Soto, Miguel A.; Patrick, Brian O.; Kamal, Saeid; Lelj, Francesco; MacLachlan, Mark J.","π-Extended ligands with dual-binding behavior: hindered rotation unlocks unexpected reactivity in cyclometalated Pt complexes.","Chemical science","2024","15","36","14644","14650","10.1039/d4sc04799k","","x-ray","0.71073","MoKα","","0.0168","0.0136","","","0.0302","0.0311","","","","","","1.058","","","","has coordinates","295189","2024-10-06","07:05:51",""
"1572567","18.29","0.003","7.4428","0.001","21.746","0.003","90","","114.056","0.004","90","","2703.2","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H22 Cl4 N2 Pt -","- C31 H22 Cl4 N2 Pt -","- C124 H88 Cl16 N8 Pt4 -","4","1","","Ota, Seiya; Soto, Miguel A.; Patrick, Brian O.; Kamal, Saeid; Lelj, Francesco; MacLachlan, Mark J.","π-Extended ligands with dual-binding behavior: hindered rotation unlocks unexpected reactivity in cyclometalated Pt complexes.","Chemical science","2024","15","36","14644","14650","10.1039/d4sc04799k","","x-ray","0.71073","MoKα","","0.0923","0.0782","","","0.1605","0.1682","","","","","","1.298","","","","has coordinates","295189","2024-10-06","07:05:51",""
"1572568","14.9481","0.0007","8.4291","0.0004","21.4418","0.0011","90","","90","","90","","2701.6","0.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H24 Cl2 N2 Pt -","- C38 H24 Cl2 N2 Pt -","- C152 H96 Cl8 N8 Pt4 -","4","0.5","","Ota, Seiya; Soto, Miguel A.; Patrick, Brian O.; Kamal, Saeid; Lelj, Francesco; MacLachlan, Mark J.","π-Extended ligands with dual-binding behavior: hindered rotation unlocks unexpected reactivity in cyclometalated Pt complexes.","Chemical science","2024","15","36","14644","14650","10.1039/d4sc04799k","","x-ray","0.71073","MoKα","","0.0493","0.0345","","","0.0787","0.0876","","","","","","1.092","","","","has coordinates","295189","2024-10-06","07:05:51",""
"1572569","17.067","0.003","7.9171","0.0012","19.976","0.003","90","","101.319","0.004","90","","2646.7","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H24 N2 Pt -","- C38 H24 N2 Pt -","- C152 H96 N8 Pt4 -","4","1","","Ota, Seiya; Soto, Miguel A.; Patrick, Brian O.; Kamal, Saeid; Lelj, Francesco; MacLachlan, Mark J.","π-Extended ligands with dual-binding behavior: hindered rotation unlocks unexpected reactivity in cyclometalated Pt complexes.","Chemical science","2024","15","36","14644","14650","10.1039/d4sc04799k","","x-ray","0.71073","MoKα","","0.0788","0.0509","","","0.1071","0.1211","","","","","","1.159","","","","has coordinates","295189","2024-10-06","07:05:51",""
"1572570","12.775","0.003","15.586","0.003","16.27","0.003","80.19","0.006","76.548","0.006","85.221","0.006","3101.4","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C77 H52 Cl4 N4 Pt2 -","- C77 H52 Cl4 N4 Pt2 -","- C154 H104 Cl8 N8 Pt4 -","2","1","","Ota, Seiya; Soto, Miguel A.; Patrick, Brian O.; Kamal, Saeid; Lelj, Francesco; MacLachlan, Mark J.","π-Extended ligands with dual-binding behavior: hindered rotation unlocks unexpected reactivity in cyclometalated Pt complexes.","Chemical science","2024","15","36","14644","14650","10.1039/d4sc04799k","","x-ray","0.71073","MoKα","","0.1096","0.0684","","","0.1691","0.2045","","","","","","1.037","","","","has coordinates,has disorder","295189","2024-10-06","07:05:51",""
"1572571","14.4996","0.0019","14.069","0.002","22.58","0.003","90","","90","","90","","4606.2","1.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H21 Cl N2 Pt -","- C30 H21 Cl N2 Pt -","- C240 H168 Cl8 N16 Pt8 -","8","2","","Ota, Seiya; Soto, Miguel A.; Patrick, Brian O.; Kamal, Saeid; Lelj, Francesco; MacLachlan, Mark J.","π-Extended ligands with dual-binding behavior: hindered rotation unlocks unexpected reactivity in cyclometalated Pt complexes.","Chemical science","2024","15","36","14644","14650","10.1039/d4sc04799k","","x-ray","0.71073","MoKα","","0.0376","0.0335","","","0.0699","0.0714","","","","","","1.241","","","","has coordinates","295189","2024-10-06","07:05:51",""
"1572572","21.839","0.003","19.399","0.003","16.667","0.002","90","","99.571","0.002","90","","6962.8","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38.33 H24.66 Cl2.66 N2 Pt -","- C38.3315 H24.663 Cl2.663 N2 Pt -","- C306.652 H197.304 Cl21.304 N16 Pt8 -","8","2","","Ota, Seiya; Soto, Miguel A.; Patrick, Brian O.; Kamal, Saeid; Lelj, Francesco; MacLachlan, Mark J.","π-Extended ligands with dual-binding behavior: hindered rotation unlocks unexpected reactivity in cyclometalated Pt complexes.","Chemical science","2024","15","36","14644","14650","10.1039/d4sc04799k","","x-ray","0.71073","MoKα","","0.1245","0.0831","","","0.1657","0.1945","","","","","","1.048","","","","has coordinates,has disorder","295189","2024-10-06","07:05:51",""
"1572573","16.1667","0.0007","13.9159","0.0005","18.6147","0.0008","90","","106.908","0.004","90","","4006.8","0.3","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C42 H42 Br4 Mn P2 -","- C42 H42 Br4 Mn P2 -","- C168 H168 Br16 Mn4 P8 -","4","0.5","","Luo, Jian-Bin; Wei, Jun-Hua; He, Zi-Lin; Chen, Jing-Hua; Peng, Qing-Peng; Zhang, Zhi-Zhong; Kuang, Dai-Bin","Bisphosphonium cation based metal halide glass scintillators with tunable melting points.","Chemical science","2024","15","39","16338","16346","10.1039/d4sc04229h","","x-ray","0.71073","MoKα","","0.0492","0.03","","","0.0563","0.0602","","","","","","1.034","","","","has coordinates","296404","2024-12-06","16:46:17",""
"1572574","11.7943","0.0003","19.8244","0.0006","19.3722","0.0007","90","","94.116","0.001","90","","4517.8","0.2","150","","150","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C45 H50 Br4 Mn O P2 -","- C45 H50 Br4 Mn O P2 -","- C180 H200 Br16 Mn4 O4 P8 -","4","1","","Luo, Jian-Bin; Wei, Jun-Hua; He, Zi-Lin; Chen, Jing-Hua; Peng, Qing-Peng; Zhang, Zhi-Zhong; Kuang, Dai-Bin","Bisphosphonium cation based metal halide glass scintillators with tunable melting points.","Chemical science","2024","15","39","16338","16346","10.1039/d4sc04229h","","","0.71073","MoKα","","0.0542","0.0412","","","0.0904","0.0993","","","","","","1.064","","","","has coordinates","296404","2024-12-06","16:46:17",""
"1572575","15.4957","0.001","33.2381","0.0011","16.6711","0.0005","90","","90","","90","","8586.4","0.7","101","1","101","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H46 Br4 Mn P2 -","- C44 H46 Br4 Mn P2 -","- C352 H368 Br32 Mn8 P16 -","8","1","","Luo, Jian-Bin; Wei, Jun-Hua; He, Zi-Lin; Chen, Jing-Hua; Peng, Qing-Peng; Zhang, Zhi-Zhong; Kuang, Dai-Bin","Bisphosphonium cation based metal halide glass scintillators with tunable melting points.","Chemical science","2024","15","39","16338","16346","10.1039/d4sc04229h","","x-ray","0.71073","MoKα","","0.1148","0.081","","","0.2132","0.2368","","","","","","1.047","","","","has coordinates,has disorder","296404","2024-12-06","16:46:17",""
"1572576","11.8477","0.0003","19.6629","0.0004","19.696","0.0004","90","","95.412","0.002","90","","4567.93","0.18","100.02","0.1","100.02","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C45 H46 Br4 F4 Mn O P2 -","- C45 H46 Br4 F4 Mn O P2 -","- C180 H184 Br16 F16 Mn4 O4 P8 -","4","1","","Luo, Jian-Bin; Wei, Jun-Hua; He, Zi-Lin; Chen, Jing-Hua; Peng, Qing-Peng; Zhang, Zhi-Zhong; Kuang, Dai-Bin","Bisphosphonium cation based metal halide glass scintillators with tunable melting points.","Chemical science","2024","15","39","16338","16346","10.1039/d4sc04229h","","x-ray","0.71073","MoKα","","0.0452","0.0342","","","0.0707","0.0734","","","","","","1.046","","","","has coordinates","296404","2024-12-06","16:46:18",""
"1572577","11.5253","0.0002","19.8357","0.0003","20.0972","0.0003","90","","93.259","0.001","90","","4587.04","0.13","100","0.1","100","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C45 H46 Br4 F4 Mn O P2 -","- C45 H46 Br4 F4 Mn O P2 -","- C180 H184 Br16 F16 Mn4 O4 P8 -","4","1","","Luo, Jian-Bin; Wei, Jun-Hua; He, Zi-Lin; Chen, Jing-Hua; Peng, Qing-Peng; Zhang, Zhi-Zhong; Kuang, Dai-Bin","Bisphosphonium cation based metal halide glass scintillators with tunable melting points.","Chemical science","2024","15","39","16338","16346","10.1039/d4sc04229h","","x-ray","0.71073","MoKα","","0.0327","0.0276","","","0.0545","0.0556","","","","","","1.036","","","","has coordinates","296404","2024-12-06","16:46:18",""
"1572578","13.6889","0.0006","16.4095","0.0007","18.7391","0.0008","90","","99.905","0.001","90","","4146.6","0.3","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H38 Br4 F4 Mn P2 -","- C42 H38 Br4 F4 Mn P2 -","- C168 H152 Br16 F16 Mn4 P8 -","4","1","","Luo, Jian-Bin; Wei, Jun-Hua; He, Zi-Lin; Chen, Jing-Hua; Peng, Qing-Peng; Zhang, Zhi-Zhong; Kuang, Dai-Bin","Bisphosphonium cation based metal halide glass scintillators with tunable melting points.","Chemical science","2024","15","39","16338","16346","10.1039/d4sc04229h","","","1.34138","GaKα","","0.0437","0.0356","","","0.0931","0.0972","","","","","","1.099","","","","has coordinates","296404","2024-12-06","16:46:18",""
"1572579","12.0173","0.0001","13.3312","0.0001","27.318","0.0003","90","","102.66","0.001","90","","4270.08","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H44 Br4 Mn P2 -","- C43 H44 Br4 Mn P2 -","- C172 H176 Br16 Mn4 P8 -","4","1","","Luo, Jian-Bin; Wei, Jun-Hua; He, Zi-Lin; Chen, Jing-Hua; Peng, Qing-Peng; Zhang, Zhi-Zhong; Kuang, Dai-Bin","Bisphosphonium cation based metal halide glass scintillators with tunable melting points.","Chemical science","2024","15","39","16338","16346","10.1039/d4sc04229h","","x-ray","1.54184","CuKα","","0.0476","0.0433","","","0.1152","0.1181","","","","","","1.049","","","","has coordinates","296404","2024-12-06","16:46:18",""
"1572580","12.2655","0.0002","19.6016","0.0003","19.2241","0.0003","90","","96.361","0.001","90","","4593.47","0.13","100","0.1","100","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C45 H46 Br4 F4 Mn O P2 -","- C45 H46 Br4 F4 Mn O P2 -","- C180 H184 Br16 F16 Mn4 O4 P8 -","4","1","","Luo, Jian-Bin; Wei, Jun-Hua; He, Zi-Lin; Chen, Jing-Hua; Peng, Qing-Peng; Zhang, Zhi-Zhong; Kuang, Dai-Bin","Bisphosphonium cation based metal halide glass scintillators with tunable melting points.","Chemical science","2024","15","39","16338","16346","10.1039/d4sc04229h","","x-ray","0.71073","MoKα","","0.04","0.0289","","","0.0578","0.0597","","","","","","1.052","","","","has coordinates","296404","2024-12-06","16:46:18",""
"1572581","32.2143","0.0003","32.2143","0.0003","27.1465","0.0004","90","","90","","90","","28171.6","0.6","100","2","100","2","","","","","","","","4","I 4/m","-I 4","87","","","","- Ag30 O184 P8 W48 -","- Ag30 O184 P8 W48 -","- Ag60 O368 P16 W96 -","2","0.125","","Yanai, Daiki; Yonesato, Kentaro; Kikkawa, Soichi; Yamazoe, Seiji; Yamaguchi, Kazuya; Suzuki, Kosuke","Electronic state modulation of Ag<sub>30</sub> nanoclusters within a ring-shaped polyoxometalate.","Nanoscale","2024","16","39","18383","18388","10.1039/d4nr02547d","","","0.41344","Synchrotron","","0.0802","0.0668","","","0.2262","0.2497","","","","","","1.04","","","","has coordinates,has disorder","296619","2024-12-06","20:05:27",""
"1572582","9.2748","0.0002","17.666","0.0005","11.4201","0.0003","90","","104.193","0.001","90","","1814.05","0.08","297","","297","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","2","","- C20 H26 F18 Fe N14 P3 -","- C20 H26 F18 Fe N14 P3 -","- C40 H52 F36 Fe2 N28 P6 -","2","0.5","","Zámbó, Greta G.; Esslinger, Carla A.; Sauer, Michael J.; Rüter, Isabelle; Reich, Robert M.; Demeshko, Serhiy; Meyer, Franc; Kühn, Fritz E.","Exploring the impact of abnormal coordination in macrocyclic N-heterocyclic carbene ligands on bio-inspired iron epoxidation catalysis","Catalysis Science & Technology","2024","14","21","6259","6269","10.1039/D4CY00992D","","x-ray","0.71073","MoKα","","0.0499","0.0405","","","0.1082","0.1165","","","","","","1.043","","","","has coordinates,has disorder","296257","2024-12-06","14:28:41",""
"1572583","12.3909","0.0002","8.8065","0.0001","17.3799","0.0003","90","","105.023","0.001","90","","1831.68","0.05","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 N O3 P -","- C20 H24 N O3 P -","- C80 H96 N4 O12 P4 -","4","1","","Thijssen, Quinten; Carroll, Joshua; Feist, Florian; Beil, Andreas; Wegener, Martin; Grützmacher, Hansjörg; Van Vlierberghe, Sandra; Barner-Kowollik, Christopher","Beyond Absorption Maxima: The Impact of Wavelength-Resolved Photochemistry on Materials Science","Materials Horizons","2024","","","","","10.1039/D4MH00976B","","x-ray","0.71073","MoKα","K-L~3~","0.0631","0.0422","","","0.0939","0.1039","","","","","","1.073","","","","has coordinates","294733","2024-09-13","01:19:27",""
"1572584","16.2107","0.0009","16.3358","0.0009","7.1968","0.0004","90","","90","","90","","1905.82","0.18","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H22 Cl O3 P -","- C20 H22 Cl O3 P -","- C80 H88 Cl4 O12 P4 -","4","1","","Thijssen, Quinten; Carroll, Joshua; Feist, Florian; Beil, Andreas; Wegener, Martin; Grützmacher, Hansjörg; Van Vlierberghe, Sandra; Barner-Kowollik, Christopher","Beyond Absorption Maxima: The Impact of Wavelength-Resolved Photochemistry on Materials Science","Materials Horizons","2024","","","","","10.1039/D4MH00976B","","x-ray","0.71073","MoKα","K-L~2,3~","0.0532","0.0399","","","0.0858","0.0913","","","","","","1.09","","","","has coordinates","294733","2024-09-13","01:19:28",""
"1572585","13.7492","0.0001","7.6679","0.0001","16.9206","0.0001","90","","103.633","0.001","90","","1733.64","0.03","297.99","0.1","297.99","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","R-ABA.[Pt(ppy)Cl2]","","- C15 H18 Cl2 N2 O2 Pt -","- C15 H18 Cl2 N2 O2 Pt -","- C60 H72 Cl8 N8 O8 Pt4 -","4","2","","Ren, Jiajia; He, Tengfei; Lu, Haolin; Wang, Hebin; Shao, Tianyin; Wang, Zhaoyu; Zhang, Yunxin; Gull, Sehrish; Chi, Yun; Zhong, Yu-Wu; Chen, Yongsheng; Long, Guankui","Tuning the circularly polarized phosphorescence of platinum(II) complexes through a chiral cation strategy.","Materials horizons","2024","11","23","6089","6097","10.1039/d4mh01105h","","x-ray","1.54184","CuKα","","0.0429","0.039","","","0.1089","0.1125","","","","","","0.869","","","","has coordinates","296724","2024-12-06","20:59:13",""
"1572586","13.7376","0.0001","7.6728","0.0001","16.9169","0.0002","90","","103.616","0.001","90","","1733.03","0.03","298","0.14","298","0.14","","","","","","","","6","P 1 21 1","P 2yb","4","","S-ABA.[Pt(ppy)Cl2]","","- C15 H18 Cl2 N2 O2 Pt -","- C15 H18 Cl2 N2 O2 Pt -","- C60 H72 Cl8 N8 O8 Pt4 -","4","2","","Ren, Jiajia; He, Tengfei; Lu, Haolin; Wang, Hebin; Shao, Tianyin; Wang, Zhaoyu; Zhang, Yunxin; Gull, Sehrish; Chi, Yun; Zhong, Yu-Wu; Chen, Yongsheng; Long, Guankui","Tuning the circularly polarized phosphorescence of platinum(II) complexes through a chiral cation strategy.","Materials horizons","2024","11","23","6089","6097","10.1039/d4mh01105h","","x-ray","1.54184","CuKα","","0.0312","0.028","","","0.0761","0.0783","","","","","","1.11","","","","has coordinates","296724","2024-12-06","20:59:14",""
"1572587","23.2773","0.0004","6.0285","0.0001","13.0805","0.0002","90","","90","","90","","1835.55","0.05","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","R-MBA.[Pt(ppy)Cl2]","","- C19 H20 Cl2 N2 Pt -","- C19 H20 Cl2 N2 Pt -","- C76 H80 Cl8 N8 Pt4 -","4","1","","Ren, Jiajia; He, Tengfei; Lu, Haolin; Wang, Hebin; Shao, Tianyin; Wang, Zhaoyu; Zhang, Yunxin; Gull, Sehrish; Chi, Yun; Zhong, Yu-Wu; Chen, Yongsheng; Long, Guankui","Tuning the circularly polarized phosphorescence of platinum(II) complexes through a chiral cation strategy.","Materials horizons","2024","11","23","6089","6097","10.1039/d4mh01105h","","x-ray","1.54184","CuKa","","0.0405","0.0387","","","0.1055","0.1068","","","","","","1.067","","","","has coordinates","296724","2024-12-06","20:59:14",""
"1572588","6.0297","0.0001","13.0932","0.0003","23.2882","0.0005","90","","90","","90","","1838.56","0.07","100.01","0.19","100.01","0.19","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","S-MBA.[Pt(ppy)Cl2]","","- C19 H20 Cl2 N2 Pt -","- C19 H20 Cl2 N2 Pt -","- C76 H80 Cl8 N8 Pt4 -","4","1","","Ren, Jiajia; He, Tengfei; Lu, Haolin; Wang, Hebin; Shao, Tianyin; Wang, Zhaoyu; Zhang, Yunxin; Gull, Sehrish; Chi, Yun; Zhong, Yu-Wu; Chen, Yongsheng; Long, Guankui","Tuning the circularly polarized phosphorescence of platinum(II) complexes through a chiral cation strategy.","Materials horizons","2024","11","23","6089","6097","10.1039/d4mh01105h","","x-ray","1.54184","CuKα","","0.0969","0.0756","","","0.1608","0.1689","","","","","","1.021","","","","has coordinates","296724","2024-12-06","20:59:14",""
"1572589","13.7103","0.0004","7.5618","0.0003","16.8169","0.0006","90","","103.556","0.003","90","","1694.91","0.11","100","0.2","100","0.2","","","","","","","","6","P 1 21 1","P 2yb","4","","S-ABA.[Pt(ppy)Cl2]","","- C15 H18 Cl2 N2 O2 Pt -","- C15 H18 Cl2 N2 O2 Pt -","- C60 H72 Cl8 N8 O8 Pt4 -","4","2","","Ren, Jiajia; He, Tengfei; Lu, Haolin; Wang, Hebin; Shao, Tianyin; Wang, Zhaoyu; Zhang, Yunxin; Gull, Sehrish; Chi, Yun; Zhong, Yu-Wu; Chen, Yongsheng; Long, Guankui","Tuning the circularly polarized phosphorescence of platinum(II) complexes through a chiral cation strategy.","Materials horizons","2024","11","23","6089","6097","10.1039/d4mh01105h","","x-ray","1.54184","CuKα","","0.0466","0.0412","","","0.1034","0.1067","","","","","","0.995","","","","has coordinates","296724","2024-12-06","20:59:14",""
"1572590","6.1233","0.0007","13.2555","0.0014","23.26","0.003","90","","90","","90","","1888","0.4","295","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","S-MBA.[Pt(ppy)Cl2]","","- C19 H20 Cl2 N2 Pt -","- C19 H20 Cl2 N2 Pt -","- C76 H80 Cl8 N8 Pt4 -","4","1","","Ren, Jiajia; He, Tengfei; Lu, Haolin; Wang, Hebin; Shao, Tianyin; Wang, Zhaoyu; Zhang, Yunxin; Gull, Sehrish; Chi, Yun; Zhong, Yu-Wu; Chen, Yongsheng; Long, Guankui","Tuning the circularly polarized phosphorescence of platinum(II) complexes through a chiral cation strategy.","Materials horizons","2024","11","23","6089","6097","10.1039/d4mh01105h","","x-ray","0.71073","MoKα","","0.0726","0.0455","","","0.0828","0.0889","","","","","","0.98","","","","has coordinates","296724","2024-12-06","20:59:14",""
"1572591","23.2671","0.001","6.1257","0.0003","13.2471","0.0006","90","","90","","90","","1888.07","0.15","279","8","298","8","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","R-MBA.[Pt(ppy)Cl2]","","- C19 H20 Cl2 N2 Pt -","- C19 H20 Cl2 N2 Pt -","- C76 H80 Cl8 N8 Pt4 -","4","1","","Ren, Jiajia; He, Tengfei; Lu, Haolin; Wang, Hebin; Shao, Tianyin; Wang, Zhaoyu; Zhang, Yunxin; Gull, Sehrish; Chi, Yun; Zhong, Yu-Wu; Chen, Yongsheng; Long, Guankui","Tuning the circularly polarized phosphorescence of platinum(II) complexes through a chiral cation strategy.","Materials horizons","2024","11","23","6089","6097","10.1039/d4mh01105h","","x-ray","0.71073","MoKα","","0.0383","0.0285","","","0.051","0.0525","","","","","","0.988","","","","has coordinates","296724","2024-12-06","20:59:14",""
"1572592","9.7904","0.0014","13.791","0.002","14.347","0.002","90","","99.606","0.005","90","","1910","0.5","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cl N S2 -","- C20 H22 Cl N S2 -","- C80 H88 Cl4 N4 S8 -","4","1","","Patra, Koushik; Dey, Manas Pratim; Baidya, Mahiuddin","Metal-free site-selective functionalization with cyclic diaryl λ<sup>3</sup>-chloranes: suppression of benzyne formation for ligand-coupling reactions.","Chemical science","2024","15","40","16605","16611","10.1039/d4sc04108a","","","0.71073","MoKα","","0.081","0.062","","","0.1506","0.1619","","","","","","1.082","","","","has coordinates,has disorder","296423","2024-12-06","16:53:56",""
"1572593","17.9856","0.0009","7.6368","0.0003","23.5135","0.0013","90","","92.914","0.002","90","","3225.5","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Cl N -","- C20 H18 Cl N -","- C160 H144 Cl8 N8 -","8","1","","Patra, Koushik; Dey, Manas Pratim; Baidya, Mahiuddin","Metal-free site-selective functionalization with cyclic diaryl λ<sup>3</sup>-chloranes: suppression of benzyne formation for ligand-coupling reactions.","Chemical science","2024","15","40","16605","16611","10.1039/d4sc04108a","","","0.71073","MoKα","","0.0579","0.0449","","","0.1142","0.1235","","","","","","1.049","","","","has coordinates","296423","2024-12-06","16:53:57",""
"1572594","11.6034","0.0003","12.2578","0.0003","17.0531","0.0004","74.1121","0.001","85.164","0.0011","64.8014","0.001","2109.39","0.09","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H40 Cl2 N2 Os P2 S2 -","- C47 H40 Cl2 N2 Os P2 S2 -","- C94 H80 Cl4 N4 Os2 P4 S4 -","2","1","","Gayen, Sourav; Assanar, Faneesha; Shyamal, Sampad; Dorairaj, Dorothy Priyanka; Ghosh, Sundargopal","Quantifying variation in cooperative B-H bond activations using Os(ii) and Os(iii) κ<sup>2</sup>-<i>N</i>,<i>S</i>-chelated complexes: same, but different.","Chemical science","2024","15","38","15913","15924","10.1039/d4sc05092d","","","0.71073","MoKα","","0.0369","0.0292","","","0.0656","0.0686","","","","","","1.075","","","","has coordinates","295206","2024-10-06","07:13:48",""
"1572595","9.6569","0.0008","11.9102","0.0008","20.8069","0.0016","86.218","0.004","84.416","0.004","69.354","0.004","2227.5","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H40 B N2 Os P2 S4 -","- C50 H40 B N2 Os P2 S4 -","- C100 H80 B2 N4 Os2 P4 S8 -","2","1","","Gayen, Sourav; Assanar, Faneesha; Shyamal, Sampad; Dorairaj, Dorothy Priyanka; Ghosh, Sundargopal","Quantifying variation in cooperative B-H bond activations using Os(ii) and Os(iii) κ<sup>2</sup>-<i>N</i>,<i>S</i>-chelated complexes: same, but different.","Chemical science","2024","15","38","15913","15924","10.1039/d4sc05092d","","","0.71073","MoKα","","0.0649","0.039","","","0.069","0.0771","","","","","","1.03","","","","has coordinates","295206","2024-10-06","07:13:49",""
"1572596","9.516","0.003","19.737","0.007","19.416","0.006","90","","93.665","0.009","90","","3639","2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 B N3 Os P S3 -","- C33 H29 B N3 Os P S3 -","- C132 H116 B4 N12 Os4 P4 S12 -","4","1","","Gayen, Sourav; Assanar, Faneesha; Shyamal, Sampad; Dorairaj, Dorothy Priyanka; Ghosh, Sundargopal","Quantifying variation in cooperative B-H bond activations using Os(ii) and Os(iii) κ<sup>2</sup>-<i>N</i>,<i>S</i>-chelated complexes: same, but different.","Chemical science","2024","15","38","15913","15924","10.1039/d4sc05092d","","","0.71073","MoKα","","0.0545","0.0378","","","0.0721","0.0787","","","","","","1.052","","","","has coordinates","295206","2024-10-06","07:13:49",""
"1572597","9.7769","0.0003","11.7895","0.0004","13.7966","0.0006","69.327","0.002","85.219","0.002","68.07","0.001","1378.05","0.09","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H25 B N2 O Os P S2 -","- C28 H26 B N2 O Os P S2 -","- C56 H52 B2 N4 O2 Os2 P2 S4 -","2","1","","Gayen, Sourav; Assanar, Faneesha; Shyamal, Sampad; Dorairaj, Dorothy Priyanka; Ghosh, Sundargopal","Quantifying variation in cooperative B-H bond activations using Os(ii) and Os(iii) κ<sup>2</sup>-<i>N</i>,<i>S</i>-chelated complexes: same, but different.","Chemical science","2024","15","38","15913","15924","10.1039/d4sc05092d","","","0.71073","MoKα","","0.0246","0.0177","","","0.0372","0.0441","","","","","","1.216","","","","has coordinates","295206","2024-10-06","07:13:49",""
"1572598","10.9773","0.0004","23.2835","0.0008","14.8343","0.0005","90","","103.877","0.0015","90","","3680.8","0.2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H29 B N3 Os P S6 -","- C39 H29 B N3 Os P S6 -","- C156 H116 B4 N12 Os4 P4 S24 -","4","1","","Gayen, Sourav; Assanar, Faneesha; Shyamal, Sampad; Dorairaj, Dorothy Priyanka; Ghosh, Sundargopal","Quantifying variation in cooperative B-H bond activations using Os(ii) and Os(iii) κ<sup>2</sup>-<i>N</i>,<i>S</i>-chelated complexes: same, but different.","Chemical science","2024","15","38","15913","15924","10.1039/d4sc05092d","","","0.71073","MoKα","","0.0654","0.0402","","","0.0785","0.0868","","","","","","1.013","","","","has coordinates","295206","2024-10-06","07:13:49",""
"1572599","36.1185","0.0015","10.179","0.0004","28.0264","0.0012","90","","127.78","0.001","90","","8143.9","0.6","298","2","298","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C40 H31 B Cl2 N3 Os P S6 -","- C40 H31 B Cl2 N3 Os P S6 -","- C320 H248 B8 Cl16 N24 Os8 P8 S48 -","8","1","","Gayen, Sourav; Assanar, Faneesha; Shyamal, Sampad; Dorairaj, Dorothy Priyanka; Ghosh, Sundargopal","Quantifying variation in cooperative B-H bond activations using Os(ii) and Os(iii) κ<sup>2</sup>-<i>N</i>,<i>S</i>-chelated complexes: same, but different.","Chemical science","2024","15","38","15913","15924","10.1039/d4sc05092d","","","0.71073","MoKα","","0.0592","0.0456","","","0.1014","0.1081","","","","","","1.093","","","","has coordinates","295206","2024-10-06","07:13:49",""
"1572600","10.7564","0.0005","12.6856","0.0003","10.7941","0.0005","90","","119.599","0.006","90","","1280.67","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Rb2InP2S7","","","- In2 P4 Rb4 S14 -","- In2 P4 Rb4 S14 -","- In4 P8 Rb8 S28 -","2","0.5","","Jiang, Lin-Tao; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Guo, Guo-Cong","Reconstructing nearly isotropic microstructures to construct a one-dimensional framework causing record birefringence in thiophosphates.","Chemical science","2024","15","41","17114","17119","10.1039/d4sc03683b","","","0.71073","MoKα","","0.0485","0.0399","","","0.0969","0.1005","","","","","","0.999","","","","has coordinates","296367","2024-12-06","16:26:17",""
"1572601","18.7064","0.0003","25.4567","0.0004","10.8159","0.0001","90","","90","","90","","5150.57","0.13","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","Rb2InP2S7","","","- In8 P16 Rb16 S56 -","- In8 P16 Rb16 S56 -","- In16 P32 Rb32 S112 -","2","0.125","","Jiang, Lin-Tao; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Guo, Guo-Cong","Reconstructing nearly isotropic microstructures to construct a one-dimensional framework causing record birefringence in thiophosphates.","Chemical science","2024","15","41","17114","17119","10.1039/d4sc03683b","","","0.71073","MoKα","","0.0193","0.0182","","","0.0441","0.0443","","","","","","1","","","","has coordinates","296367","2024-12-06","16:26:18",""
"1572602","10.9132","0.0005","13.1589","0.0004","10.964","0.0005","90","","119.511","0.006","90","","1370.22","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Cs2InP2S7","","","- Ba0 Cl0 Cs4 In2 P4 S14 -","- Cs4 In2 P4 S14 -","- Cs8 In4 P8 S28 -","2","0.5","","Jiang, Lin-Tao; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Guo, Guo-Cong","Reconstructing nearly isotropic microstructures to construct a one-dimensional framework causing record birefringence in thiophosphates.","Chemical science","2024","15","41","17114","17119","10.1039/d4sc03683b","","","0.71073","MoKα","","0.0385","0.0356","","","0.0955","0.0972","","","","","","1.001","","","","has coordinates","296367","2024-12-06","16:26:18",""
"1572603","26.064","0.001","27.538","0.001","35.319","0.001","90","","91.118","0.002","90","","25345.4","1.5","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C165 H145.17 Au13 Cl2 N20 Na0.67 O24.42 -","- C165 H136.333 Au13 Cl2 N20 Na0.6667 O24.4167 -","- C660 H545.333 Au52 Cl8 N80 Na2.6668 O97.6668 -","4","1","","Yuan, Xiting; Ye, Zichen; Malola, Sami; Shekhah, Osama; Jiang, Hao; Hu, Xinyan; Wang, Jian-Xin; Wang, Hong; Shkurenko, Aleksander; Jia, Jiangtao; Guillerm, Vincent; Mohammed, Omar F.; Chen, Xiaolan; Zheng, Nanfeng; Häkkinen, Hannu; Eddaoudi, Mohamed","Synthesis and crystallization of a carboxylate functionalized <i>N</i>-heterocyclic carbene-based Au<sub>13</sub> cluster with strong photo-luminescence.","Chemical science","2024","15","39","16112","16117","10.1039/d4sc04594g","","","1.54178","CuKα","","0.081","0.0615","","","0.186","0.2176","","","","","","1.038","","","","has coordinates,has disorder","296396","2024-12-06","16:43:34",""
"1572604","23.977","0.005","8.9117","0.0016","7.7036","0.0015","90","","101.973","0.005","90","","1610.3","0.5","273","","273","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C10 H15 Br3 F N Pb -","- C10 H15 Br3 F N Pb -","- C40 H60 Br12 F4 N4 Pb4 -","4","1","","Liu, Jiu-Yang; Lun, Meng-Meng; Wang, Zhi-Jie; Li, Jun-Yi; Ding, Kun; Fu, Da-Wei; Lu, Hai-Feng; Zhang, Yi","The H/F substitution strategy can achieve large spontaneous polarization in 1D hybrid perovskite ferroelectrics.","Chemical science","2024","15","40","16612","16617","10.1039/d4sc03571b","","","0.71073","MoKα","","0.1001","0.0347","","","0.0627","0.0845","","","","","","0.957","","","","has coordinates","296429","2024-12-06","16:57:53",""
"1572605","23.5064","0.0018","8.9668","0.0005","6.8118","0.0004","90","","98.299","0.007","90","","1420.74","0.16","420","0.2","420","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H15 Br3 F N Pb -","- C10 H15 Br3 F N Pb -","- C40 H60 Br12 F4 N4 Pb4 -","4","0.5","","Liu, Jiu-Yang; Lun, Meng-Meng; Wang, Zhi-Jie; Li, Jun-Yi; Ding, Kun; Fu, Da-Wei; Lu, Hai-Feng; Zhang, Yi","The H/F substitution strategy can achieve large spontaneous polarization in 1D hybrid perovskite ferroelectrics.","Chemical science","2024","15","40","16612","16617","10.1039/d4sc03571b","","x-ray","0.71073","MoKα","","0.1039","0.0852","","","0.2754","0.3068","","","","","","1.089","","","","has coordinates,has disorder","296429","2024-12-06","16:57:54",""
"1572606","23.11","0.003","9.609","0.0013","26.851","0.004","90","","106.99","0.014","90","","5702.4","1.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 Br5 N2 Pb1.5 -","- C20 Br5 N2 Pb1.5 -","- C160 Br40 N16 Pb12 -","8","1","","Liu, Jiu-Yang; Lun, Meng-Meng; Wang, Zhi-Jie; Li, Jun-Yi; Ding, Kun; Fu, Da-Wei; Lu, Hai-Feng; Zhang, Yi","The H/F substitution strategy can achieve large spontaneous polarization in 1D hybrid perovskite ferroelectrics.","Chemical science","2024","15","40","16612","16617","10.1039/d4sc03571b","","x-ray","0.71073","MoKα","","0.1246","0.0648","","","0.128","0.1419","","","","","","1.033","","","","has coordinates","296429","2024-12-06","16:57:54",""
"1572607","10.998","0.003","11.807","0.004","16.29","0.005","90","","101.724","0.009","90","","2071.2","1.1","302","2","302","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N4 -","- C24 H26 N4 -","- C96 H104 N16 -","4","1","","Ran, Xiao-Yun; Xia, Wen-Li; Zhang, Li-Na; Yu, Xiao-Qi; Chen, Ping; Xie, Kun-Peng; Zhao, Yu; Yi, Cheng; Li, Kun","<i>De novo</i> design of type-l photosensitizer agents based on structure-inherent low triplet energy for hypoxia photodynamic therapy.","Materials horizons","2024","11","22","5589","5599","10.1039/d4mh01167h","","","0.71073","MoKα","","0.0856","0.0476","","","0.1068","0.1319","","","","","","1.022","","","","has coordinates,has disorder","296722","2024-12-06","20:58:21",""
"1572608","10.9276","0.0017","11.2557","0.0014","12.9931","0.0019","72.277","0.005","82.974","0.006","76.606","0.005","1478.6","0.4","302","2","302","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H40 Br N3 -","- C33 H40 Br N3 -","- C66 H80 Br2 N6 -","2","1","","Ran, Xiao-Yun; Xia, Wen-Li; Zhang, Li-Na; Yu, Xiao-Qi; Chen, Ping; Xie, Kun-Peng; Zhao, Yu; Yi, Cheng; Li, Kun","<i>De novo</i> design of type-l photosensitizer agents based on structure-inherent low triplet energy for hypoxia photodynamic therapy.","Materials horizons","2024","11","22","5589","5599","10.1039/d4mh01167h","","","0.71073","MoKα","","0.1254","0.0824","","","0.2334","0.2699","","","","","","1.044","","","","has coordinates","296722","2024-12-06","20:58:21",""
"1572609","14.174","0.003","11.712","0.002","19.739","0.003","90","","109.259","0.006","90","","3093.4","1","195","2","195","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H35 Cl2 N5 O -","- C33 H35 Cl2 N5 O -","- C132 H140 Cl8 N20 O4 -","4","1","","Ran, Xiao-Yun; Xia, Wen-Li; Zhang, Li-Na; Yu, Xiao-Qi; Chen, Ping; Xie, Kun-Peng; Zhao, Yu; Yi, Cheng; Li, Kun","<i>De novo</i> design of type-l photosensitizer agents based on structure-inherent low triplet energy for hypoxia photodynamic therapy.","Materials horizons","2024","11","22","5589","5599","10.1039/d4mh01167h","","","0.71073","MoKα","","0.0971","0.0631","","","0.1547","0.18","","","","","","1.024","","","","has coordinates,has disorder","296722","2024-12-06","20:58:21",""
"1572610","18.7285","0.0002","15.0456","0.0001","16.9428","0.0002","90","","90","","90","","4774.17","0.08","150","2","150","2","","","","","","","","6","I 2 2 2","I 2 2","23","","bis[Octa(mu-L-alanine-kO:kO')tetra(mu3-3-hydroxido)tetra(mu3-oxido)Hexazirconium]dodecachloride-water (1/25)","","- C24 H126 Cl12 N8 O57 Zr6 -","- C24 H84 Cl12 N8 O40 Zr6 -","- C48 H168 Cl24 N16 O80 Zr12 -","2","0.25","","García-Hernán, Andrea; Aguilar-Galindo, Fernando; Castillo, Oscar; Amo-Ochoa, Pilar","1D Zn(ii)/2D Cu(i) halogen pyridyl coordination polymers. Band gap engineering by DFT for predicting more efficient photocatalysts in water treatment","Catalysis Science & Technology","2024","14","22","6573","6583","10.1039/D4CY00969J","","x-ray","1.54184","CuKα","","0.0524","0.0515","","","0.1402","0.1416","","","","","","1.047","","","","has coordinates,has disorder","296254","2024-12-06","14:26:44",""
"1572611","12.0405","0.0007","12.6719","0.0007","15.9325","0.0012","98.769","0.005","99.955","0.006","108.458","0.005","2214.6","0.3","150","2","150","2","","","","","","","","6","P 1","P 1","1","","bis[octa(mu-L-tyrosine-kO:kO')tetra(mu3-3-hydroxido)tetra(mu3-oxido)Hexazirconium]dodecachloride-water (1/5)","","- C40 H118 Cl12 N8 O37 Zr6 -","- C40 H108 Cl12 N8 O37 Zr6 -","- C40 H108 Cl12 N8 O37 Zr6 -","1","1","","García-Hernán, Andrea; Aguilar-Galindo, Fernando; Castillo, Oscar; Amo-Ochoa, Pilar","1D Zn(ii)/2D Cu(i) halogen pyridyl coordination polymers. Band gap engineering by DFT for predicting more efficient photocatalysts in water treatment","Catalysis Science & Technology","2024","14","22","6573","6583","10.1039/D4CY00969J","","x-ray","1.54184","CuKα","","0.1293","0.0877","","","0.2113","0.2538","","","","","","1.025","","","","has coordinates,has disorder","296254","2024-12-06","14:26:45",""
"1572612","26.0034","0.0003","26.0034","0.0003","26.0034","0.0003","90","","90","","90","","17582.9","0.4","150","2","150","2","","","","","","","","6","I 2 3","I 2 2 3","197","","bis[Octa(mu-L-phenylalanine-kO:kO')tetra(mu3-3-hydroxido)tetra(mu3-oxido)Hexazirconium]dodecachloride-water (1/16.5)","","- C72 H141 Cl12 N8 O48.5 Zr6 -","- C72 H116 Cl12 N8 O36 Zr6 -","- C432 H696 Cl72 N48 O216 Zr36 -","6","0.25","","García-Hernán, Andrea; Aguilar-Galindo, Fernando; Castillo, Oscar; Amo-Ochoa, Pilar","1D Zn(ii)/2D Cu(i) halogen pyridyl coordination polymers. Band gap engineering by DFT for predicting more efficient photocatalysts in water treatment","Catalysis Science & Technology","2024","14","22","6573","6583","10.1039/D4CY00969J","","x-ray","0.71073","MoKα","","0.1704","0.0509","","","0.0795","0.0906","","","","","","0.643","","","","has coordinates,has disorder","296254","2024-12-06","14:26:45",""
"1572613","18.5786","0.0007","20.219","0.0008","21.8305","0.0009","102.24","0.004","93.269","0.003","111.66","0.004","7365.1","0.6","150","2","150","2","","","","","","","","6","P 1","P 1","1","","bis[Octa(mu-L-tryptophan-kO:kO')tetra(mu3-3-hydroxido)tetra(mu3-oxido)Hexazirconium]dodecachloride-water (1/16.5)","","- C88 H186 Cl12 N16 O67 Zr6 -","- C88 H135 Cl12 N16 O67 Zr6 -","- C176 H270 Cl24 N32 O134 Zr12 -","2","2","","García-Hernán, Andrea; Aguilar-Galindo, Fernando; Castillo, Oscar; Amo-Ochoa, Pilar","1D Zn(ii)/2D Cu(i) halogen pyridyl coordination polymers. Band gap engineering by DFT for predicting more efficient photocatalysts in water treatment","Catalysis Science & Technology","2024","14","22","6573","6583","10.1039/D4CY00969J","","x-ray","0.71073","MoKα","","0.1435","0.0816","","","0.1688","0.2137","","","","","","1.016","","","","has coordinates","296254","2024-12-06","14:26:45",""
"1572614","28.1804","0.0002","26.0321","0.0002","17.6857","0.0002","90","","90","","90","","12974.1","0.2","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","bis[octa(mu-D-tyrosine-kO:kO')tetra(mu3-3-hydroxido)tetra(mu3-oxido)Hexazirconium]dodecachloride-water (1/25)","","- C72 H158 Cl12 N8 O65 Zr6 -","- C72 H108 Cl12 N8 O65 Zr6 -","- C288 H432 Cl48 N32 O260 Zr24 -","4","1","","García-Hernán, Andrea; Aguilar-Galindo, Fernando; Castillo, Oscar; Amo-Ochoa, Pilar","1D Zn(ii)/2D Cu(i) halogen pyridyl coordination polymers. Band gap engineering by DFT for predicting more efficient photocatalysts in water treatment","Catalysis Science & Technology","2024","14","22","6573","6583","10.1039/D4CY00969J","","x-ray","0.71073","MoKα","","0.0633","0.05","","","0.1251","0.1342","","","","","","1.043","","","","has coordinates,has disorder","296254","2024-12-06","14:26:45",""
"1572615","17.649","0.0004","12.8229","0.0003","24.5818","0.0006","90","","101.244","0.001","90","","5456.4","0.2","193","","193","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66 H62 Hf2 N4 -","- C66 H62 Hf2 N4 -","- C264 H248 Hf8 N16 -","4","1","","Xing, Yanhong; Liu, Shaofeng; Li, Zhibo","Synthesis of dinuclear pyridyl-amido hafnium and zirconium complexes toward olefin polymerization with unexpected stereospecificity and ultra-high molecular weight capability","Polymer Chemistry","2024","15","40","4141","4150","10.1039/D4PY00794H","","x-ray","0.71073","MoKα","","0.041","0.0283","","","0.0556","0.0605","","","","","","1.035","","","","has coordinates,has disorder","296716","2024-12-06","20:53:59",""
"1572616","5.3552","0.0006","11.2241","0.0013","33.85","0.004","90","","90","","90","","2034.6","0.4","304","2","304","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","MUAFO","MUAFO","","- C21 H25 N3 O4 -","- C21 H25 N3 O4 -","- C84 H100 N12 O16 -","4","1","","Haridas, V.; Maurya, Govind P.; Dutta, Souvik","Designer pseudopeptides: autofluorescent polygonal tubes <i>via</i> Phe-zipper and triple helix.","Chemical science","2024","15","41","16908","16916","10.1039/d4sc04023f","","","0.71073","MoKα","","0.1051","0.0532","","","0.1078","0.126","","","","","","1.017","","","","has coordinates","296362","2024-12-06","16:23:38",""
"1572617","5.3547","0.0002","11.2231","0.0004","33.8405","0.0011","90","","90","","90","","2033.69","0.12","302","2","302","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","dMUAFO","dMUAFO","","- C21 H25 N3 O4 -","- C21 H25 N3 O4 -","- C84 H100 N12 O16 -","4","1","","Haridas, V.; Maurya, Govind P.; Dutta, Souvik","Designer pseudopeptides: autofluorescent polygonal tubes <i>via</i> Phe-zipper and triple helix.","Chemical science","2024","15","41","16908","16916","10.1039/d4sc04023f","","","0.71073","MoKα","","0.1112","0.0508","","","0.0994","0.1207","","","","","","1","","","","has coordinates","296362","2024-12-06","16:23:38",""
"1572618","12.7958","0.0003","12.7958","0.0003","26.2968","0.0012","90","","90","","120","","3728.8","0.2","150","2","150","2","","","","","","","","4","P 65","P 65","170","MUFFO","MUFFO","","- C26 H27 N3 O4 -","- C26 H27 N3 O4 -","- C156 H162 N18 O24 -","6","1","","Haridas, V.; Maurya, Govind P.; Dutta, Souvik","Designer pseudopeptides: autofluorescent polygonal tubes <i>via</i> Phe-zipper and triple helix.","Chemical science","2024","15","41","16908","16916","10.1039/d4sc04023f","","","0.71073","MoKα","","0.0385","0.0331","","","0.0791","0.083","","","","","","1.057","","","","has coordinates","296362","2024-12-06","16:23:38",""
"1572619","22.864","0.001","35.6826","0.0012","3.7147","0.0001","90","","91.622","0.003","90","","3029.41","0.19","173","2","173","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","HOF-PTBA","","- C48 H28 O8 -","- C48 H28 O8 -","- C96 H56 O16 -","2","0.25","","Di, Zhengyi; Qi, Yu; Yu, Xin-Xin; Li, Hai-Ruo; Zuo, Meng-Xuan; Ren, Tian-Tian; Li, Cheng-Peng; Zhao, Yanli","Facile and scale-up syntheses of high-performance enzyme@meso-HOF biocatalysts.","Chemical science","2024","15","41","16987","16996","10.1039/d4sc04619f","","","1.54184","CuKα","","0.0754","0.0668","","","0.1993","0.2112","","","","","","1.026","","","","has coordinates","296364","2024-12-06","16:24:16",""
"1572620","29.2025","0.0013","6.5188","0.0002","23.6035","0.0011","90","","116.637","0.001","90","","4016.4","0.3","170","2","170","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C44 H52 O12 -","- C44 H52 O12 -","- C176 H208 O48 -","4","0.5","","Zhu, Weijie; Zhao, Bohan; Fang, Shuai; Zhu, Huangtianzhi; Huang, Feihe","An anthracene-containing crown ether: synthesis, host-guest properties and modulation of solid state luminescence.","Chemical science","2024","15","39","16300","16306","10.1039/d4sc05077k","","","0.71073","MoKα","","0.0569","0.0422","","","0.1061","0.1178","","","","","","1.045","","","","has coordinates","296395","2024-12-06","16:43:07",""
"1572621","13.1957","0.0008","19.8927","0.0013","9.9873","0.0006","90","","112.009","0.004","90","","2430.6","0.3","277","","277","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H48 N4 O10 -","- C54 H50 N4 O10 -","- C108 H100 N8 O20 -","2","0.5","","Zhu, Weijie; Zhao, Bohan; Fang, Shuai; Zhu, Huangtianzhi; Huang, Feihe","An anthracene-containing crown ether: synthesis, host-guest properties and modulation of solid state luminescence.","Chemical science","2024","15","39","16300","16306","10.1039/d4sc05077k","","","1.34139","GaKα","","0.1985","0.1237","","","0.2647","0.303","","","","","","1.06","","","","has coordinates,has disorder","296395","2024-12-06","16:43:07",""
"1572622","7.7436","0.0017","9.132","0.002","12.604","0.003","108.398","0.004","91.815","0.004","108.545","0.004","793.1","0.3","260","2","260","2","","","","","","","","6","P -1","-P 1","2","","","","- C3.75 H1.75 Cd0.25 N0.75 O1.75 S0.25 -","- C3.75 H1.75 Cd0.25 N0.75 O1.75 S0.25 -","- C30 H14 Cd2 N6 O14 S2 -","8","4","","Ma, Lin; Zhang, Tiexin; Li, Mochen; Zhang, Xu; Li, Lanqiao; Shi, Yusheng; Cai, Rui; Yang, Xueming; Duan, Chunying","Electron transport chain-inspired coordination polymers for macroscopic spatiotemporal scales of charge separation and transport in photocatalysis.","Chemical science","2024","15","41","17150","17160","10.1039/d4sc05592f","","","0.71073","MoKα","","0.0755","0.0513","","","0.1016","0.1095","","","","","","1.082","","","","has coordinates,has disorder","296369","2024-12-06","16:28:44",""
"1572623","9.8187","0.0001","13.4677","0.0001","20.2736","0.0001","90","","103.365","0.001","90","","2608.28","0.04","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 B Cl4 Cu N2 O2 -","- C24 H26 B Cl4 Cu N2 O2 -","- C96 H104 B4 Cl16 Cu4 N8 O8 -","4","1","","Chen, Ting-An; Staples, Richard J.; Warren, Timothy H.","Copper catalyzed benzylic sp<sup>3</sup> C-H alkenylation.","Chemical science","2024","15","42","17685","17690","10.1039/d4sc03430a","","x-ray","1.54184","CuKα","","0.0322","0.0305","","","0.0803","0.0813","","","","","","1.075","","","","has coordinates","296389","2024-12-06","16:38:47",""
"1572624","17.6807","0.0002","16.85029","0.00018","20.0632","0.0002","90","","92.0395","0.001","90","","5973.54","0.11","99.9","0.5","99.9","0.5","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H76 Cu2 F12 N4 -","- C62 H76 Cu2 F12 N4 -","- C248 H304 Cu8 F48 N16 -","4","0.5","","Chen, Ting-An; Staples, Richard J.; Warren, Timothy H.","Copper catalyzed benzylic sp<sup>3</sup> C-H alkenylation.","Chemical science","2024","15","42","17685","17690","10.1039/d4sc03430a","","x-ray","1.54184","CuKα","","0.038","0.0371","","","0.0921","0.0928","","","","","","1.058","","","","has coordinates,has disorder","296389","2024-12-06","16:38:48",""
"1572625","14.9701","0.0003","24.0962","0.0006","15.7004","0.0004","90","","116.04","0.001","90","","5088.6","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53.64 H68.34 Cl2.02 N9 O3.43 -","- C53.639 H68.338 Cl2.024 N9 O3.434 -","- C214.556 H273.352 Cl8.096 N36 O13.736 -","4","1","","Xu, Chengkai; Tran, Quy Gia; Liu, Dexin; Zhai, Canjia; Wojtas, Lukasz; Liu, Wenqi","Charge-assisted hydrogen bonding in a bicyclic amide cage: an effective approach to anion recognition and catalysis in water.","Chemical science","2024","15","39","16040","16049","10.1039/d4sc05236f","","x-ray","1.54178","CuKα","","0.0506","0.048","","","0.1308","0.1331","","","","","","1.036","","","","has coordinates,has disorder","296401","2024-12-06","16:45:16",""
"1572626","14.9459","0.0006","15.2203","0.0007","18.4006","0.0008","67.614","0.003","81.558","0.003","68.56","0.003","3602.4","0.3","107","","107","","","","","","","","","6","P -1","-P 1","2","","","","- C57.3 H75.9 Cl3 N9 O12.41 S1.65 -","- C57.3 H75.9 Cl3 N9 O12.4166 S1.65 -","- C114.6 H151.8 Cl6 N18 O24.8332 S3.3 -","2","1","","Xu, Chengkai; Tran, Quy Gia; Liu, Dexin; Zhai, Canjia; Wojtas, Lukasz; Liu, Wenqi","Charge-assisted hydrogen bonding in a bicyclic amide cage: an effective approach to anion recognition and catalysis in water.","Chemical science","2024","15","39","16040","16049","10.1039/d4sc05236f","","","1.54178","CuKα","","0.1968","0.1361","","","0.3432","0.3934","","","","","","1.295","","","","has coordinates,has disorder","296401","2024-12-06","16:45:17",""
"1572627","13.046","0.001","25.708","0.002","27.482","0.002","113.091","0.005","99.699","0.005","92.773","0.005","8290.6","1.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C64.2 H67 F15.31 N9 O17.7 -","- C64.205 H67 F15.3075 N9 O17.705 -","- C256.82 H268 F61.23 N36 O70.82 -","4","2","","Xu, Chengkai; Tran, Quy Gia; Liu, Dexin; Zhai, Canjia; Wojtas, Lukasz; Liu, Wenqi","Charge-assisted hydrogen bonding in a bicyclic amide cage: an effective approach to anion recognition and catalysis in water.","Chemical science","2024","15","39","16040","16049","10.1039/d4sc05236f","","","1.54178","CuKα","","0.1366","0.1091","","","0.306","0.3349","","","","","","1.367","","","","has coordinates,has disorder","296401","2024-12-06","16:45:17",""
"1572628","14.8832","0.0002","32.8405","0.0005","15.324","0.0002","90","","102.804","0.0007","90","","7303.69","0.18","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65.04 H85.33 I3 N14.52 O8.39 -","- C65.038 H85.337 I3 N14.519 O8.385 -","- C260.152 H341.348 I12 N58.076 O33.54 -","4","1","","Xu, Chengkai; Tran, Quy Gia; Liu, Dexin; Zhai, Canjia; Wojtas, Lukasz; Liu, Wenqi","Charge-assisted hydrogen bonding in a bicyclic amide cage: an effective approach to anion recognition and catalysis in water.","Chemical science","2024","15","39","16040","16049","10.1039/d4sc05236f","","x-ray","1.54178","CuKα","","0.0367","0.0355","","","0.1003","0.1012","","","","","","1.039","","","","has coordinates,has disorder","296401","2024-12-06","16:45:17",""
"1572629","20.3056","0.0008","22.3996","0.0009","37.5185","0.0012","82.015","0.003","84.918","0.003","83.158","0.003","16733.9","1.1","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C264.23 H177.12 Ag20 Au Cu12 F68.11 P5.75 S26 -","- C264.2 H177.09 Ag20 Au Cu12 F68.11 P5.75 S26 -","- C528.4 H354.18 Ag40 Au2 Cu24 F136.22 P11.5 S52 -","2","1","","Zhu, Chen; Lu, Luyao; Li, Fei; Kang, Xi; Zhu, Manzhou","Size disproportionation among nanocluster transformations.","Chemical science","2024","15","40","16637","16644","10.1039/d4sc04884a","","x-ray","1.54186","CuKα","","0.1303","0.0997","","","0.2746","0.3009","","","","","","1.015","","","","has coordinates,has disorder","296428","2024-12-06","16:57:33",""
"1572630","34.523","0.004","34.523","0.004","82.326","0.009","90","","90","","120","","84974","17","120","","120","","","","","","","","","9","R -3 :H","-R 3","148","","","","- C864 H588 Ag56 Au4 Cl Cu40 F216 P20 S72 -","- C864 H588 Ag56 Au4 Cl Cu40 F216 P20 S72 -","- C2592 H1764 Ag168 Au12 Cl3 Cu120 F648 P60 S216 -","3","0.166667","","Zhu, Chen; Lu, Luyao; Li, Fei; Kang, Xi; Zhu, Manzhou","Size disproportionation among nanocluster transformations.","Chemical science","2024","15","40","16637","16644","10.1039/d4sc04884a","","x-ray","1.54186","CuKα","","0.1489","0.0954","","","0.2882","0.3291","","","","","","1.023","","","","has coordinates,has disorder","296428","2024-12-06","16:57:33",""
"1572631","28.6272","0.0009","28.6272","0.0009","108.574","0.005","90","","90","","120","","77057","5","120","","120","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C336 H225 Ag26 Cu17 F90 P7 S30 -","- C336 H225 Ag26 Cu17 F90 P7 S30 -","- C2016 H1350 Ag156 Cu102 F540 P42 S180 -","6","0.333333","","Zhu, Chen; Lu, Luyao; Li, Fei; Kang, Xi; Zhu, Manzhou","Size disproportionation among nanocluster transformations.","Chemical science","2024","15","40","16637","16644","10.1039/d4sc04884a","","x-ray","1.54186","CuKα","","0.0544","0.043","","","0.1223","0.1309","","","","","","1.024","","","","has coordinates,has disorder","296428","2024-12-06","16:57:33",""
"1572632","41.4184","0.0015","29.7952","0.0015","47.331","0.002","90","","91.097","0.003","90","","58399","4","120","","120","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C372 H255 Ag27 Au2 Cl14 Cu28 F90 P9 S33 -","- C372 H255 Ag27 Au2 Cl14 Cu28 F90 P9 S33 -","- C1488 H1020 Ag108 Au8 Cl56 Cu112 F360 P36 S132 -","4","1","","Zhu, Chen; Lu, Luyao; Li, Fei; Kang, Xi; Zhu, Manzhou","Size disproportionation among nanocluster transformations.","Chemical science","2024","15","40","16637","16644","10.1039/d4sc04884a","","","1.54186","CuKα","","0.1678","0.0708","","","0.1744","0.2025","","","","","","0.713","","","","has coordinates","296428","2024-12-06","16:57:33",""
"1572633","49.3794","0.0003","49.3794","0.0003","28.6911","0.0005","90","","90","","120","","60585.6","1.2","100","0.1","100","0.1","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C384 H348 N30 Zn6 -","- C384 H348 N30 Zn6 -","- C1536 H1392 N120 Zn24 -","4","0.333333","","Stawski, Wojciech; Anderson, Harry L.","Polymorphism and flexibility of six-porphyrin nanorings in the solid state.","Chemical science","2024","15","41","16938","16946","10.1039/d4sc05255b","","x-ray","1.54184","CuKα","","0.132","0.1041","","","0.3224","0.3558","","","","","","1.067","","","","has coordinates,has disorder","296368","2024-12-06","16:28:31",""
"1572634","49.745","0.00017","49.745","0.00017","55.2247","0.0004","90","","90","","120","","118348","1","100","0.1","100","0.1","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C384 H348 N30 Zn6 -","- C384 H348 N30 Zn6 -","- C3072 H2784 N240 Zn48 -","8","0.666667","","Stawski, Wojciech; Anderson, Harry L.","Polymorphism and flexibility of six-porphyrin nanorings in the solid state.","Chemical science","2024","15","41","16938","16946","10.1039/d4sc05255b","","x-ray","1.54184","CuKα","","0.1759","0.1474","","","0.4219","0.4794","","","","","","1.028","","","","has coordinates,has disorder","296368","2024-12-06","16:28:31",""
"1572635","20.6135","0.0002","38.7108","0.0003","39.1085","0.0004","81.878","0.001","80.21","0.001","74.897","0.001","29535.9","0.5","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C390 H352 Cl2 N30 Zn6 -","- C390 H352 Cl2 N30 Zn6 -","- C780 H704 Cl4 N60 Zn12 -","2","1","","Stawski, Wojciech; Anderson, Harry L.","Polymorphism and flexibility of six-porphyrin nanorings in the solid state.","Chemical science","2024","15","41","16938","16946","10.1039/d4sc05255b","","x-ray","1.54184","CuKα","","0.2045","0.1815","","","0.5064","0.5353","","","","","","1.03","","","","has coordinates,has disorder","296368","2024-12-06","16:28:31",""
"1572636","20.1388","0.0003","53.4956","0.0007","31.8306","0.0004","90","","106.792","0.001","90","","32830.1","0.8","100.01","0.1","100.01","0.1","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- C240 H172 Cl8 N12 -","- C240 H172 Cl8 N12 -","- C960 H688 Cl32 N48 -","4","0.5","","Stawski, Wojciech; Anderson, Harry L.","Polymorphism and flexibility of six-porphyrin nanorings in the solid state.","Chemical science","2024","15","41","16938","16946","10.1039/d4sc05255b","","x-ray","1.54184","CuKα","","0.1626","0.1395","","","0.4051","0.4512","","","","","","1.016","","","","has coordinates,has disorder","296368","2024-12-06","16:28:31",""
"1572637","13.4271","0.0005","13.9487","0.0004","19.3551","0.0008","102.551","0.003","105.385","0.004","106.129","0.003","3187.5","0.2","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H65 B N2 -","- C70 H65 B N2 -","- C140 H130 B2 N4 -","2","1","","Wang, Jingxiang; Chen, Dongyang; Moreno-Naranjo, Juan Manuel; Zinna, Francesco; Frédéric, Lucas; Cordes, David B.; McKay, Aidan P.; Fuchter, Matthew J.; Zhang, Xiaohong; Zysman-Colman, Eli","Helically chiral multiresonant thermally activated delayed fluorescent emitters and their use in hyperfluorescent organic light-emitting diodes.","Chemical science","2024","15","41","16917","16927","10.1039/d4sc03478c","","x-ray","0.71073","MoKα","","0.1386","0.0983","","","0.2922","0.3208","","","","","","1.027","","","","has coordinates","296366","2024-12-06","16:26:05",""
"1572638","10.53694","0.00004","20.05694","0.00009","33.47918","0.00014","90","","90","","90","","7075.45","0.05","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C89 H90 B N3 O2 -","- C89 H90 B N3 O2 -","- C356 H360 B4 N12 O8 -","4","1","","Wang, Jingxiang; Chen, Dongyang; Moreno-Naranjo, Juan Manuel; Zinna, Francesco; Frédéric, Lucas; Cordes, David B.; McKay, Aidan P.; Fuchter, Matthew J.; Zhang, Xiaohong; Zysman-Colman, Eli","Helically chiral multiresonant thermally activated delayed fluorescent emitters and their use in hyperfluorescent organic light-emitting diodes.","Chemical science","2024","15","41","16917","16927","10.1039/d4sc03478c","","x-ray","1.54184","CuKα","","0.0382","0.0371","","","0.102","0.1038","","","","","","1.024","","","","has coordinates,has disorder","296366","2024-12-06","16:26:05",""
"1572639","15.7586","0.0007","19.2635","0.0007","14.1296","0.0005","90","","90","","90","","4289.3","0.3","193","2","193","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H28 Au O2.5 P -","- C24 H28 Au O2.5 P -","- C192 H224 Au8 O20 P8 -","8","1","","León, Félix; García-Rodeja, Yago; Mallet-Ladeira, Sonia; Miqueu, Karinne; Szalóki, György; Bourissou, Didier","Catechol/<i>o</i>-benzoquinone exchange at gold(iii).","Chemical science","2024","15","40","16651","16659","10.1039/d4sc04374j","","","0.71073","MoKα","","0.0427","0.0245","","","0.0457","0.0508","","","","","","1.016","","","","has coordinates,has disorder","296427","2024-12-06","16:55:51",""
"1572640","11.279","0.004","13.765","0.003","29.733","0.009","90","","94.479","0.014","90","","4602","2","193","2","193","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32.5 H65 Au B9 Cl N4 O2 P2 -","- C32.5 H65 Au B9 Cl N4 O2 P2 -","- C130 H260 Au4 B36 Cl4 N16 O8 P8 -","4","1","","León, Félix; García-Rodeja, Yago; Mallet-Ladeira, Sonia; Miqueu, Karinne; Szalóki, György; Bourissou, Didier","Catechol/<i>o</i>-benzoquinone exchange at gold(iii).","Chemical science","2024","15","40","16651","16659","10.1039/d4sc04374j","","","0.71073","MoKα","","0.0827","0.071","","","0.1569","0.1619","","","","","","1.199","","","","has coordinates,has disorder","296427","2024-12-06","16:55:54",""
"1572641","10.7611","0.0007","14.4997","0.0009","13.7734","0.0008","90","","98.291","0.002","90","","2126.6","0.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Au Cl2 O2 P -","- C22 H22 Au Cl2 O2 P -","- C88 H88 Au4 Cl8 O8 P4 -","4","1","","León, Félix; García-Rodeja, Yago; Mallet-Ladeira, Sonia; Miqueu, Karinne; Szalóki, György; Bourissou, Didier","Catechol/<i>o</i>-benzoquinone exchange at gold(iii).","Chemical science","2024","15","40","16651","16659","10.1039/d4sc04374j","","","0.71073","MoKα","","0.0202","0.0153","","","0.0359","0.0373","","","","","","1.042","","","","has coordinates","296427","2024-12-06","16:55:54",""
"1572642","19.4759","0.0013","17.3049","0.0011","10.6632","0.0006","90","","102.725","0.002","90","","3505.5","0.4","193","2","193","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C19 H46 Au B9 Cl5 N4 P2 -","- C19 H46 Au B9 Cl5 N4 P2 -","- C76 H184 Au4 B36 Cl20 N16 P8 -","4","0.5","","León, Félix; García-Rodeja, Yago; Mallet-Ladeira, Sonia; Miqueu, Karinne; Szalóki, György; Bourissou, Didier","Catechol/<i>o</i>-benzoquinone exchange at gold(iii).","Chemical science","2024","15","40","16651","16659","10.1039/d4sc04374j","","","0.71073","MoKα","","0.0462","0.0386","","","0.1062","0.1107","","","","","","1.087","","","","has coordinates","296427","2024-12-06","16:55:54",""
"1572643","28.7347","0.0009","28.7347","0.0009","20.9068","0.001","90","","90","","120","","14949.7","1","193","2","193","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C31.32 H43.3 Au O2.33 P -","- C31.32 H43.3 Au O2.33 P -","- C563.76 H779.4 Au18 O41.94 P18 -","18","1","","León, Félix; García-Rodeja, Yago; Mallet-Ladeira, Sonia; Miqueu, Karinne; Szalóki, György; Bourissou, Didier","Catechol/<i>o</i>-benzoquinone exchange at gold(iii).","Chemical science","2024","15","40","16651","16659","10.1039/d4sc04374j","","","0.71073","MoKα","","0.044","0.0294","","","0.0682","0.0766","","","","","","1.068","","","","has coordinates,has disorder","296427","2024-12-06","16:55:54",""
"1572644","9.5342","0.0008","17.6708","0.0015","10.3038","0.0009","90","","95.66","0.002","90","","1727.5","0.3","192","2","192","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H49 Au B9 N4 O2 P2 -","- C24 H49 Au B9 N4 O2 P2 -","- C48 H98 Au2 B18 N8 O4 P4 -","2","1","","León, Félix; García-Rodeja, Yago; Mallet-Ladeira, Sonia; Miqueu, Karinne; Szalóki, György; Bourissou, Didier","Catechol/<i>o</i>-benzoquinone exchange at gold(iii).","Chemical science","2024","15","40","16651","16659","10.1039/d4sc04374j","","","0.71073","MoKα","","0.044","0.0331","","","0.0694","0.0732","","","","","","1.024","","","","has coordinates","296427","2024-12-06","16:55:54",""
"1572645","15.3901","0.0011","15.6458","0.0009","19.214","0.0011","90","","90","","90","","4626.5","0.5","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H20 Au Cl4 O2 P -","- C22 H20 Au Cl4 O2 P -","- C176 H160 Au8 Cl32 O16 P8 -","8","1","","León, Félix; García-Rodeja, Yago; Mallet-Ladeira, Sonia; Miqueu, Karinne; Szalóki, György; Bourissou, Didier","Catechol/<i>o</i>-benzoquinone exchange at gold(iii).","Chemical science","2024","15","40","16651","16659","10.1039/d4sc04374j","","x-ray","1.54178","CuKα","","0.0247","0.0219","","","0.052","0.0534","","","","","","1.12","","","","has coordinates","296427","2024-12-06","16:55:54",""
"1572646","20.6538","0.0002","25.2668","0.0002","25.4854","0.0002","119.028","0.001","90.191","0.001","112.348","0.001","10461.4","0.2","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","potassium pivaloylmethanate","","- C90 H161.64 K6 O18 -","- C90 H161.639 K6 O18 -","- C360 H646.558 K24 O72 -","4","2","","Masero, Fabio; Mougel, Victor","Chemical and redox non-innocence in low-valent molybdenum β diketonate complexes: novel pathways for CO<sub>2</sub> and CS<sub>2</sub> activation.","Chemical science","2024","15","41","16954","16965","10.1039/d4sc03496a","","x-ray","1.54184","CuKα","","0.1187","0.0949","","","0.2747","0.2996","","","","","","1.058","","","","has coordinates,has disorder","296363","2024-12-06","16:24:00",""
"1572647","12.3218","0.0004","15.3674","0.0005","20.1514","0.0006","90","","90","","90","","3815.7","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H32 Br2 Mn O2 P2 -","- C44 H32 Br2 Mn O2 P2 -","- C176 H128 Br8 Mn4 O8 P8 -","4","1","","Kong, De-Hao; Wu, Yue; Shi, Cui-Mi; Zeng, Hao; Xu, Liang-Jin; Chen, Zhong-Ning","Highly efficient circularly polarized electroluminescence based on chiral manganese(ii) complexes.","Chemical science","2024","15","40","16698","16704","10.1039/d4sc04748f","","","1.54178","CuKα","","0.0241","0.0238","","","0.057","0.0572","","","","","","1.061","","","","has coordinates","296425","2024-12-06","16:54:46",""
"1572648","12.2709","0.0005","15.4159","0.0006","20.1625","0.0008","90","","90","","90","","3814.1","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H32 Br2 Mn O2 P2 -","- C44 H32 Br2 Mn O2 P2 -","- C176 H128 Br8 Mn4 O8 P8 -","4","1","","Kong, De-Hao; Wu, Yue; Shi, Cui-Mi; Zeng, Hao; Xu, Liang-Jin; Chen, Zhong-Ning","Highly efficient circularly polarized electroluminescence based on chiral manganese(ii) complexes.","Chemical science","2024","15","40","16698","16704","10.1039/d4sc04748f","","","1.54178","CuKα","","0.055","0.0499","","","0.1288","0.1325","","","","","","1.035","","","","has coordinates","296425","2024-12-06","16:54:48",""
"1572649","10.389","0.019","11.9401","0.003","5.201","0.004","90","","109.899","0.023","90","","606.6","1.2","300","","300","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Li12 Nb4 O16 -","- Li12 Nb4 O16 -","- Li24 Nb8 O32 -","2","0.25","","Ko, Sarah L.; Dorrell, Jordan A.; Morris, Andrew J.; Griffith, Kent J.","Metastable layered lithium-rich niobium and tantalum oxides <i>via</i> nearly instantaneous cation exchange.","Faraday discussions","2024","","","","","10.1039/d4fd00103f","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","294839","2024-09-20","23:43:05",""
"1572650","11.1218","0.0004","13.00203","0.00007","5.75288","0.00011","90","","109.49","0.0006","90","","784.23","0.03","300","","300","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Na12 Nb4 O16 -","- Na12 Nb4 O16 -","- Na24 Nb8 O32 -","2","0.25","","Ko, Sarah L.; Dorrell, Jordan A.; Morris, Andrew J.; Griffith, Kent J.","Metastable layered lithium-rich niobium and tantalum oxides <i>via</i> nearly instantaneous cation exchange.","Faraday discussions","2024","","","","","10.1039/d4fd00103f","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","294839","2024-09-20","23:43:06",""
"1572651","11.0923","0.0005","12.97113","0.00012","5.73501","0.00016","90","","109.429","0.0007","90","","778.16","0.04","20","","20","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Na12 Nb4 O16 -","- Na12 Nb4 O16 -","- Na24 Nb8 O32 -","2","0.25","","Ko, Sarah L.; Dorrell, Jordan A.; Morris, Andrew J.; Griffith, Kent J.","Metastable layered lithium-rich niobium and tantalum oxides <i>via</i> nearly instantaneous cation exchange.","Faraday discussions","2024","","","","","10.1039/d4fd00103f","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","294839","2024-09-20","23:43:06",""
"1572652","10.362","0.015","11.9047","0.0027","5.179","0.004","90","","109.83","0.019","90","","601","1","20","","20","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Li12 Nb4 O16 -","- Li12 Nb4 O16 -","- Li24 Nb8 O32 -","2","0.25","","Ko, Sarah L.; Dorrell, Jordan A.; Morris, Andrew J.; Griffith, Kent J.","Metastable layered lithium-rich niobium and tantalum oxides <i>via</i> nearly instantaneous cation exchange.","Faraday discussions","2024","","","","","10.1039/d4fd00103f","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","294839","2024-09-20","23:43:06",""
"1572653","15.3094","0.0013","15.3094","0.0013","15.315","0.002","90","","90","","90","","3589.5","0.6","173","2","173","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","Δ-Bis[(<i>S</i>)-2-(4-isopropyl-4,5-dihydrooxazol-2-yl)phenolato-κ^2^<i>N</i>,<i>O</i>^1^](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')ruthenium(III) hexafluoridophosphate","","- C36 H36 F6 N4 O4 P Ru -","- C36 H36 F6 N4 O4 P Ru -","- C144 H144 F24 N16 O16 P4 Ru4 -","4","0.5","WM4221","Kelani, Monsuru T.; Muller, Alfred; Lammertsma, Koop","Δ-Bis[(S)-2-(4-isopropyl-4,5-dihydrooxazol-2-yl)phenolato-κ2 N,O 1](1,10-phenanthroline-κ2 N,N′)ruthenium(III) hexafluoridophosphate","IUCrData","2024","9","9","","","10.1107/S2414314624008939","","","0.71073","MoKα","","0.0569","0.038","","","0.0968","0.1073","","","","","","1.037","","","","has coordinates,has disorder","294844","2024-09-21","02:42:27",""
"1572654","7.341","0.0001","7.341","0.0001","64.8549","0.0013","90","","90","","90","","3495.05","0.1","150","0.1","150","0.1","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","(1<i>R</i>,2<i>S</i>,4a<i>R</i>,6<i>S</i>,8<i>R</i>,8a<i>S</i>)-1-(3-Hydroxypropanoyl)-1,3,6,8-tetramethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxylic acid","","- C18 H28 O4 -","- C18 H28 O4 -","- C144 H224 O32 -","8","1","BV4052","Botha, Christo J.; Fouche, Gerda; Malan, Frederick P.","(1R,2S,4aR,6S,8R,8aS)-1-(3-Hydroxypropanoyl)-1,3,6,8-tetramethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxylic acid","IUCrData","2024","9","9","","","10.1107/S241431462400885X","","x-ray","1.54184","CuKα","","0.0458","0.0442","","","0.0966","0.0973","","","","","","1.131","","","","has coordinates,has disorder","294845","2024-09-21","02:42:45",""
"1572655","8.2105","0.0003","14.4478","0.0006","15.2042","0.0008","90","","101.694","0.002","90","","1766.14","0.14","302","2","302","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Di-μ-adipato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^6^,<i>O</i>^6'^-bis[(2,2'-dipyridylamine-κ^2^<i>N</i>,<i>N</i>')zinc(II)] trihydrate","Di-μ-adipato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^6^,<i>O</i>^6'^-bis{[<i>N</i>-(pyridin-2-yl-κ<i>N</i>)pyridin-2-amine-κ<i>N</i>^1^]zinc(II)} trihydrate","","- C32 H40 N6 O11 Zn2 -","- C32 H40 N6 O11 Zn2 -","- C64 H80 N12 O22 Zn4 -","2","0.5","WM4220","Setifi, Fatima; Setifi, Zouaoui; Pham Chien, Thang; Al-Douh, Mohammad Hadi; Addala, Abderezak","Di-μ-adipato-κ4 O 1,O 1′:O 6,O 6′-bis[(2,2′-dipyridylamine-κ2 N,N′)zinc(II)] trihydrate","IUCrData","2024","9","9","","","10.1107/S2414314624009064","","","0.71073","MoKα","","0.0856","0.0435","","","0.0883","0.1023","","","","","","1.02","","","","has coordinates","294846","2024-09-21","02:43:01",""
"1572656","6.9208","0.0004","13.2576","0.0008","14.5513","0.0009","110.068","0.003","90.497","0.003","100.082","0.003","1231.29","0.13","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Diytterbium enneaoxidotritellurate(IV)","","- O9 Te3 Yb2 -","- O9 Te3 Yb2 -","- O54 Te18 Yb12 -","6","3","WM4219","Höss, Patrick; Chou, Sheng-Chun; Russ, Philip L.; Locke, Ralf J. C.; Schleid, Thomas","C-type Yb2Te3O9","IUCrData","2024","9","9","","","10.1107/S2414314624008885","","","0.71069","MoKα","","0.0419","0.0325","","","0.0618","0.0651","","","","","","1.055","","","","has coordinates","294847","2024-09-21","02:43:16",""
"1572657","11.9299","0.0008","21.6278","0.0017","8.2665","0.0006","90","","108.251","0.006","90","","2025.6","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3-[2'(2''-Methoxycarbonylethyl)-1',3',5',7'-tetramethyl-4',4'-difluoro-4'-bora-3a',4a'-diaza-s-indacen-6'-yl]propionic acid methyl ester","Methyl 3-{4,4-difluoro-2-[2-(methoxycarbonyl)ethyl]-1,3,5,7-tetramethyl-4-bora-3a,4a-diaza-<i>s</i>-indacen-6-yl}propionate","","- C21 H27 B F2 N2 O4 -","- C21 H27 B F2 N2 O4 -","- C84 H108 B4 F8 N8 O16 -","4","1","HB4485","Schollmeyer, Dieter; Jochen, Matthias; Detert, Heiner","Redetermined structure of methyl 3-{4,4-difluoro-2-[2-(methoxycarbonyl)ethyl]-1,3,5,7-tetramethyl-4-bora-3a,4a-diaza-s-indacen-6-yl}propionate","IUCrData","2024","9","9","","","10.1107/S2414314624008848","","","0.71073","MoKα","","0.1757","0.0895","","","0.1824","0.2379","","","","","","1.094","","","","has coordinates","294848","2024-09-21","02:43:35",""
"1572658","15.5504","0.0004","20.3269","0.0006","24.9693","0.0007","90","","96.155","0.002","90","","7847.1","0.4","200","2","200","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","(μ-pyrazine radical anion)-tetrakis(pentamethylcyclopentadienyl) -bis(tetrahydrofuran)-dysprosium(III) tetraphenylborate unknown solvate","","- C76 H100 B Dy2 N2 O2 -","- C76 H100 B Dy2 N2 O2 -","- C304 H400 B4 Dy8 N8 O8 -","4","0.5","","Bajaj, Neha; Mavragani, Niki; Kitos, Alexandros A.; Chartrand, Daniel; Maris, Thierry; Mansikkamäki, Akseli; Murugesu, Muralee","Hard single-molecule magnet behavior and strong magnetic coupling in pyrazinyl radical-bridged lanthanide metallocenes","CHEM","2024","10","","2484","2499","10.1016/j.chempr.2024.04.006","","","0.71073","MoKα","","0.0471","0.0404","","","0.0883","0.0923","","","","","","1.156","","","","has coordinates","294850","2024-09-21","20:13:12",""
"1572659","13.3406","0.0008","16.5532","0.0009","17.2872","0.0009","62.71","0.002","89.744","0.003","78.631","0.003","3309.8","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","tetrakis(μ-pyrazine radical anion)-octakis(pentamethylcyclopentadienyl) -tetra-dysprosium(III) tetrahydrofuran solvate","","- C136 H216 Dy4 N8 O10 -","- C136 H216 Dy4 N8 O10 -","- C136 H216 Dy4 N8 O10 -","1","0.5","","Bajaj, Neha; Mavragani, Niki; Kitos, Alexandros A.; Chartrand, Daniel; Maris, Thierry; Mansikkamäki, Akseli; Murugesu, Muralee","Hard single-molecule magnet behavior and strong magnetic coupling in pyrazinyl radical-bridged lanthanide metallocenes","CHEM","2024","10","","2484","2499","10.1016/j.chempr.2024.04.006","","x-ray","1.34139","GaKα","","0.1298","0.0682","","","0.1697","0.2037","","","","","","1.041","","","","has coordinates,has disorder","294851","2024-09-21","20:13:29",""
"1572660","15.6446","0.001","20.4132","0.0013","24.9024","0.0015","90","","96.161","0.003","90","","7906.8","0.9","200","2","200","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","(μ-pyrazine radical anion)-tetrakis(pentamethylcyclopentadienyl) -bis(tetrahydrofuran)-gadoliniumium(III) tetraphenylborate unknown solvate","","- C76 H100 B Gd2 N2 O2 -","- C76 H100 B Gd2 N2 O2 -","- C304 H400 B4 Gd8 N8 O8 -","4","0.5","","Bajaj, Neha; Mavragani, Niki; Kitos, Alexandros A.; Chartrand, Daniel; Maris, Thierry; Mansikkamäki, Akseli; Murugesu, Muralee","Hard single-molecule magnet behavior and strong magnetic coupling in pyrazinyl radical-bridged lanthanide metallocenes","CHEM","2024","10","","2484","2499","10.1016/j.chempr.2024.04.006","","","0.71073","MoKα","","0.0644","0.0463","","","0.1019","0.1096","","","","","","1.129","","","","has coordinates","294852","2024-09-21","20:13:41",""
"1572661","13.2525","0.0006","16.5811","0.0007","17.3758","0.0007","62.586","0.002","89.513","0.002","78.844","0.002","3311.1","0.3","90","","90","","","","","","","","","5","P -1","-P 1","2","","tetrakis(μ-pyrazine radical anion)-octakis(pentamethylcyclopentadienyl) -tetra-gadolinium(III) tetrahydrofuran solvate","","- C136 H216 Gd4 N8 O10 -","- C136 H216 Gd4 N8 O10 -","- C136 H216 Gd4 N8 O10 -","1","0.5","","Bajaj, Neha; Mavragani, Niki; Kitos, Alexandros A.; Chartrand, Daniel; Maris, Thierry; Mansikkamäki, Akseli; Murugesu, Muralee","Hard single-molecule magnet behavior and strong magnetic coupling in pyrazinyl radical-bridged lanthanide metallocenes","CHEM","2024","10","","2484","2499","10.1016/j.chempr.2024.04.006","","x-ray","1.34139","GaKα","","0.1455","0.0634","","","0.1418","0.1696","","","","","","1.01","","","","has coordinates,has disorder","294853","2024-09-21","20:13:51",""
"1572662","11.1755","0.0013","29.096","0.003","18.61","0.002","90","","105.731","0.005","90","","5824.6","1.1","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C77 H61 Cu N2 -","- C77 H61 Cu N2 -","- C308 H244 Cu4 N8 -","4","1","","Tran, Ba L.; Fuller, 3rd, Jack T; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone","Direct observation of β-alkynyl eliminations from unstrained propargylic alkoxide Cu(i) complexes by C-C bond cleavage.","Chemical science","2024","15","42","17481","17489","10.1039/d4sc02982h","","","0.71073","MoKα","","0.052","0.0415","","","0.1054","0.114","","","","","","1.032","","","","has coordinates","296386","2024-12-06","16:37:33",""
"1572663","14.7045","0.0014","25.388","0.002","19.6946","0.0017","90","","94.099","0.004","90","","7333.5","1.1","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C95 H75 Cu F2 N2 O S -","- C95 H75 Cu F2 N2 O S -","- C380 H300 Cu4 F8 N8 O4 S4 -","4","1","","Tran, Ba L.; Fuller, 3rd, Jack T; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone","Direct observation of β-alkynyl eliminations from unstrained propargylic alkoxide Cu(i) complexes by C-C bond cleavage.","Chemical science","2024","15","42","17481","17489","10.1039/d4sc02982h","","","0.71073","MoKα","","0.0874","0.0799","","","0.1813","0.1857","","","","","","1.105","","","","has coordinates,has disorder","296386","2024-12-06","16:37:42",""
"1572664","14.389","0.006","19.498","0.009","25.095","0.011","88.045","0.01","89.523","0.012","84.392","0.012","7003","5","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C87 H79 Cl2 Cu N2 O3 -","- C87 H79 Cl2 Cu N2 O3 -","- C348 H316 Cl8 Cu4 N8 O12 -","4","2","","Tran, Ba L.; Fuller, 3rd, Jack T; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone","Direct observation of β-alkynyl eliminations from unstrained propargylic alkoxide Cu(i) complexes by C-C bond cleavage.","Chemical science","2024","15","42","17481","17489","10.1039/d4sc02982h","","","0.71073","MoKα","","0.0611","0.0534","","","0.1322","0.1375","","","","","","1.045","","","","has coordinates,has disorder","296386","2024-12-06","16:37:43",""
"1572665","33.633","0.003","12.0225","0.0012","14.4644","0.0015","90","","90","","90","","5848.7","1","100","2","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C77 H61 Cu N2 O2 -","- C77 H61 Cu N2 O2 -","- C308 H244 Cu4 N8 O8 -","4","1","","Tran, Ba L.; Fuller, 3rd, Jack T; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone","Direct observation of β-alkynyl eliminations from unstrained propargylic alkoxide Cu(i) complexes by C-C bond cleavage.","Chemical science","2024","15","42","17481","17489","10.1039/d4sc02982h","","","0.71073","MoKα","","0.0244","0.0239","","","0.065","0.0654","","","","","","1.034","","","","has coordinates","296386","2024-12-06","16:37:43",""
"1572666","17.6667","0.0015","23.566","0.002","34.121","0.003","90","","90","","90","","14206","2","100","2","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C90 H69 Cu F2 N2 O3 -","- C90 H69 Cu F2 N2 O3 -","- C720 H552 Cu8 F16 N16 O24 -","8","1","","Tran, Ba L.; Fuller, 3rd, Jack T; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone","Direct observation of β-alkynyl eliminations from unstrained propargylic alkoxide Cu(i) complexes by C-C bond cleavage.","Chemical science","2024","15","42","17481","17489","10.1039/d4sc02982h","","","0.71073","MoKα","","0.0644","0.046","","","0.1031","0.1129","","","","","","1.134","","","","has coordinates,has disorder","296386","2024-12-06","16:37:43",""
"1572667","21.973","0.0003","19.4588","0.0004","45.8368","0.0009","90","","90","","90","","19598.4","0.6","100","2","100","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C84 H66 Cu2 Fe2 P4 -","- C84 H66 Cu2 Fe2 P4 -","- C1008 H792 Cu24 Fe24 P48 -","12","1.5","","Tran, Ba L.; Fuller, 3rd, Jack T; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone","Direct observation of β-alkynyl eliminations from unstrained propargylic alkoxide Cu(i) complexes by C-C bond cleavage.","Chemical science","2024","15","42","17481","17489","10.1039/d4sc02982h","","","0.71073","MoKα","","0.0488","0.0443","","","0.106","0.1087","","","","","","1.16","","","","has coordinates","296386","2024-12-06","16:37:43",""
"1572668","11.1609","0.0007","22.9772","0.0009","24.3876","0.0009","90","","93.141","0.002","90","","6244.7","0.5","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H67 Cu N2 O -","- C84 H67 Cu N2 O -","- C336 H268 Cu4 N8 O4 -","4","1","","Tran, Ba L.; Fuller, 3rd, Jack T; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone","Direct observation of β-alkynyl eliminations from unstrained propargylic alkoxide Cu(i) complexes by C-C bond cleavage.","Chemical science","2024","15","42","17481","17489","10.1039/d4sc02982h","","","0.71073","MoKα","","0.0572","0.0528","","","0.1329","0.1355","","","","","","1.059","","","","has coordinates","296386","2024-12-06","16:37:43",""
"1572669","13.2312","0.0012","13.3247","0.0012","23.32","0.002","86.812","0.003","83.797","0.003","63.701","0.003","3664.1","0.6","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C95.25 H79.51 Cu F2 N2 O -","- C95.248 H79.512 Cu F2 N2 O -","- C190.496 H159.024 Cu2 F4 N4 O2 -","2","1","","Tran, Ba L.; Fuller, 3rd, Jack T; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone","Direct observation of β-alkynyl eliminations from unstrained propargylic alkoxide Cu(i) complexes by C-C bond cleavage.","Chemical science","2024","15","42","17481","17489","10.1039/d4sc02982h","","","0.71073","MoKα","","0.049","0.0452","","","0.1173","0.1202","","","","","","1.019","","","","has coordinates,has disorder","296386","2024-12-06","16:37:43",""
"1572670","11.1621","0.0006","28.8506","0.0019","18.6601","0.0012","90","","105.503","0.002","90","","5790.5","0.6","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C75 H59 Cu N2 S -","- C75 H59 Cu N2 S -","- C300 H236 Cu4 N8 S4 -","4","1","","Tran, Ba L.; Fuller, 3rd, Jack T; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone","Direct observation of β-alkynyl eliminations from unstrained propargylic alkoxide Cu(i) complexes by C-C bond cleavage.","Chemical science","2024","15","42","17481","17489","10.1039/d4sc02982h","","","0.71073","MoKα","","0.0392","0.0362","","","0.0993","0.1017","","","","","","1.021","","","","has coordinates","296386","2024-12-06","16:37:43",""
"1572671","13.262","0.0008","13.3089","0.0008","23.2168","0.0014","86.485","0.002","83.009","0.002","63.633","0.002","3644.1","0.4","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C93.21 H73.75 Cl2 Cu F2 N2 O -","- C93.209 H73.746 Cl2 Cu F2 N2 O -","- C186.418 H147.492 Cl4 Cu2 F4 N4 O2 -","2","1","","Tran, Ba L.; Fuller, 3rd, Jack T; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone","Direct observation of β-alkynyl eliminations from unstrained propargylic alkoxide Cu(i) complexes by C-C bond cleavage.","Chemical science","2024","15","42","17481","17489","10.1039/d4sc02982h","","","0.71073","MoKα","","0.0414","0.0391","","","0.0992","0.1009","","","","","","1.049","","","","has coordinates,has disorder","296386","2024-12-06","16:37:43",""
"1572672","13.6127","0.0007","24.0012","0.001","26.5094","0.0014","90","","90.423","0.002","90","","8660.9","0.7","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C452 H344 Cu8 P16 -","- C440 H320 Cu8 P16 -","- C440 H320 Cu8 P16 -","1","0.5","","Tran, Ba L.; Fuller, 3rd, Jack T; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone","Direct observation of β-alkynyl eliminations from unstrained propargylic alkoxide Cu(i) complexes by C-C bond cleavage.","Chemical science","2024","15","42","17481","17489","10.1039/d4sc02982h","","","0.71073","MoKα","","0.0312","0.0292","","","0.0742","0.0752","","","","","","1.019","","","","has coordinates,has disorder","296386","2024-12-06","16:37:43",""
"1572673","15.4569","0.0004","8.0238","0.0002","17.5833","0.0005","90","","92.358","0.003","90","","2178.89","0.1","130","2","130","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Cu2 N14 O8 -","- C40 H44 Cu2 N14 O8 -","- C80 H88 Cu4 N28 O16 -","2","0.5","","Zabierowski, Piotr W.; Děkanovský, Lukáš; Mazánek, Vlastimil; Hodorowicz, Maciej; Sofer, Zdeněk","Functionalisation of graphite and thermally reduced graphene oxide with bis-hydrazone copper(I) nitrate salt.","Nanoscale","2024","16","40","18805","18810","10.1039/d4nr03456b","","x-ray","0.71073","MoKα","","0.0863","0.0468","","","0.0866","0.1009","","","","","","1.001","","","","has coordinates","296623","2024-12-06","20:08:16",""
"1572674","17.9682","0.0003","9.4647","0.0001","23.1812","0.0005","90","","90","","90","","3942.28","0.12","130","2","130","0.02","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Cu N8 O6 -","- C18 H16 Cu N8 O6 -","- C144 H128 Cu8 N64 O48 -","8","1","","Zabierowski, Piotr W.; Děkanovský, Lukáš; Mazánek, Vlastimil; Hodorowicz, Maciej; Sofer, Zdeněk","Functionalisation of graphite and thermally reduced graphene oxide with bis-hydrazone copper(I) nitrate salt.","Nanoscale","2024","16","40","18805","18810","10.1039/d4nr03456b","","x-ray","0.71073","MoKα","","0.0536","0.0402","","","0.0866","0.0934","","","","","","1.079","","","","has coordinates,has disorder","296623","2024-12-06","20:08:17",""
"1572675","12.778","0.005","16.435","0.005","21.845","0.005","82.66","0.005","82.881","0.005","80.64","0.005","4464","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H105 Fe2 N15 O14 -","- C94 H105 Fe2 N15 O14 -","- C188 H210 Fe4 N30 O28 -","2","1","","Sarkar, Sabyasachi; Wu, Chang-Quan; Manna, Santanu; Samanta, Deepannita; Chen, Peter P.-Y.; Rath, Sankar Prasad","Probing substrate binding inside a paramagnetic cavity: a NMR spectroscopy toolbox for combined experimental and theoretical investigation.","Chemical science","2024","15","42","17407","17417","10.1039/d4sc05432f","","","0.71069","MoKα","","0.1281","0.0699","","","0.1499","0.1769","","","","","","1.021","","","","has coordinates,has disorder","296388","2024-12-06","16:38:28",""
"1572676","24.4285","0.0014","17.2727","0.0014","23.7474","0.0015","90","","98.248","0.003","90","","9916.5","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C110 H143 Fe2 N9 O2 -","- C110 H143 Fe2 N9 O2 -","- C440 H572 Fe8 N36 O8 -","4","0.5","","Sarkar, Sabyasachi; Wu, Chang-Quan; Manna, Santanu; Samanta, Deepannita; Chen, Peter P.-Y.; Rath, Sankar Prasad","Probing substrate binding inside a paramagnetic cavity: a NMR spectroscopy toolbox for combined experimental and theoretical investigation.","Chemical science","2024","15","42","17407","17417","10.1039/d4sc05432f","","","0.71073","MoKα","","0.0442","0.0352","","","0.0842","0.0902","","","","","","1.061","","","","has coordinates","296388","2024-12-06","16:38:29",""
"1572677","34.122","0.003","14.8098","0.0017","35.216","0.004","90","","100.218","0.01","90","","17514","3","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C94 H101 F10 Fe2 N9 O2 -","- C94 H101 F10 Fe2 N9 O2 -","- C752 H808 F80 Fe16 N72 O16 -","8","1","","Sarkar, Sabyasachi; Wu, Chang-Quan; Manna, Santanu; Samanta, Deepannita; Chen, Peter P.-Y.; Rath, Sankar Prasad","Probing substrate binding inside a paramagnetic cavity: a NMR spectroscopy toolbox for combined experimental and theoretical investigation.","Chemical science","2024","15","42","17407","17417","10.1039/d4sc05432f","","","0.71073","MoKα","","0.1726","0.0821","","","0.1846","0.2435","","","","","","1.013","","","","has coordinates","296388","2024-12-06","16:38:29",""
"1572678","8.9459","0.0002","8.9459","0.0002","5.0618","0.0002","90","","90","","120","","350.819","0.018","296.15","","296.15","","","","","","","","","3","P 3 2 1","P 3 2""","150","","","","- Lu2 O6 Te -","- Lu2 O6 Te -","- Lu6 O18 Te3 -","3","0.5","","Cao, Tingting; Guo, Feifei; Hu, Fuai; Tao, Xutang; Gao, Zeliang","Novel laser crystal Lu2TeO6: crystal growth, thermal properties, and spectral analysis","CrystEngComm","2024","26","41","5953","5959","10.1039/D4CE00780H","","","0.71073","MoKα","","0.0362","0.0359","","","0.0912","0.0917","","","","","","1.151","","","","has coordinates","296451","2024-12-06","17:27:17",""
"1572679","8.882","0.0001","11.7045","0.0002","14.6627","0.0003","71.659","0.002","81.232","0.001","76.372","0.001","1401.08","0.04","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","ACM-AR-05","","- C28 H13 B F10 O2 S -","- C28 H13 B F10 O2 S -","- C56 H26 B2 F20 O4 S2 -","2","1","","Murali, Anna Chandrasekar; Panda, Rudrashish; Kannan, Ramkumar; Das, Ritwick; Venkatasubbaiah, Krishnan","O,S-Chelated bis(pentafluorophenyl)boron and diphenylboron-β-thioketonates: synthesis, photophysical, electrochemical and NLO properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17263","17271","10.1039/d4dt02471k","","x-ray","1.54184","CuKα","","0.0411","0.0398","","","0.1133","0.1145","","","","","","1.085","","","","has coordinates","296534","2024-12-06","18:30:57",""
"1572680","8.9743","0.0004","11.703","0.0004","15.0237","0.0004","74.848","0.003","82.963","0.003","71.503","0.004","1443","0.1","109","13","109","13","","","","","","","","6","P -1","-P 1","2","","","","- C31 H13 B F10 O S -","- C31 H13 B F10 O S -","- C62 H26 B2 F20 O2 S2 -","2","1","","Murali, Anna Chandrasekar; Panda, Rudrashish; Kannan, Ramkumar; Das, Ritwick; Venkatasubbaiah, Krishnan","O,S-Chelated bis(pentafluorophenyl)boron and diphenylboron-β-thioketonates: synthesis, photophysical, electrochemical and NLO properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17263","17271","10.1039/d4dt02471k","","x-ray","1.54184","CuKα","","0.0978","0.0893","","","0.2742","0.2816","","","","","","1.096","","","","has coordinates","296534","2024-12-06","18:30:57",""
"1572681","8.3139","0.0002","19.4235","0.0006","13.8886","0.0004","90","","98.258","0.003","90","","2219.55","0.11","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 B O2 S -","- C28 H23 B O2 S -","- C112 H92 B4 O8 S4 -","4","1","","Murali, Anna Chandrasekar; Panda, Rudrashish; Kannan, Ramkumar; Das, Ritwick; Venkatasubbaiah, Krishnan","O,S-Chelated bis(pentafluorophenyl)boron and diphenylboron-β-thioketonates: synthesis, photophysical, electrochemical and NLO properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17263","17271","10.1039/d4dt02471k","","x-ray","1.54184","CuKα","","0.048","0.0396","","","0.1015","0.1052","","","","","","1.067","","","","has coordinates","296534","2024-12-06","18:30:57",""
"1572682","9.3857","0.0002","10.9581","0.0004","12.3752","0.0004","72.326","0.003","70.919","0.002","76.257","0.003","1132.47","0.06","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H11 B F10 O S -","- C27 H11 B F10 O S -","- C54 H22 B2 F20 O2 S2 -","2","1","","Murali, Anna Chandrasekar; Panda, Rudrashish; Kannan, Ramkumar; Das, Ritwick; Venkatasubbaiah, Krishnan","O,S-Chelated bis(pentafluorophenyl)boron and diphenylboron-β-thioketonates: synthesis, photophysical, electrochemical and NLO properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17263","17271","10.1039/d4dt02471k","","x-ray","1.54184","CuKα","","0.0358","0.0348","","","0.0905","0.0916","","","","","","1.043","","","","has coordinates","296534","2024-12-06","18:30:57",""
"1572683","9.0473","0.0003","11.9367","0.0003","12.7968","0.0005","112.846","0.003","104.805","0.004","93.529","0.003","1211.08","0.08","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H13 B F10 O S -","- C28 H13 B F10 O S -","- C56 H26 B2 F20 O2 S2 -","2","1","","Murali, Anna Chandrasekar; Panda, Rudrashish; Kannan, Ramkumar; Das, Ritwick; Venkatasubbaiah, Krishnan","O,S-Chelated bis(pentafluorophenyl)boron and diphenylboron-β-thioketonates: synthesis, photophysical, electrochemical and NLO properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17263","17271","10.1039/d4dt02471k","","x-ray","1.54184","CuKα","","0.0578","0.0558","","","0.154","0.1564","","","","","","1.038","","","","has coordinates","296534","2024-12-06","18:30:57",""
"1572684","10.1007","0.0008","13.3932","0.0016","17.7896","0.0019","70.753","0.005","76.873","0.004","69.27","0.004","2108.3","0.4","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C42.5 H33 F12 N9 O0.5 P2 Ru -","- C42.5 H33 F12 N9 O0.5 P2 Ru -","- C85 H66 F24 N18 O P4 Ru2 -","2","1","","Ionova, Violetta A.; Dmitrieva, Alena V.; Abel, Anton S.; Sergeev, Aleksandr D.; Evko, Grigory S.; Yakushev, Alexei A.; Gontcharenko, Victoria E.; Nefedov, Sergei E.; Roznyatovsky, Vitaly A.; Cheprakov, Andrey V.; Averin, Alexei D.; Magdesieva, Tatiana V.; Beletskaya, Irina P.","Di(pyridin-2-yl)amino-substituted 1,10-phenanthrolines and their Ru(II)-Pd(II) dinuclear complexes: synthesis, characterization and application in Cu-free Sonogashira reaction.","Dalton transactions (Cambridge, England : 2003)","2024","53","41","17021","17035","10.1039/d4dt02067g","","","0.71073","MoKα","","0.1448","0.1009","","","0.2775","0.3136","","","","","","1.038","","","","has coordinates","296510","2024-12-06","18:20:56",""
"1572685","12.0324","0.001","15.188","0.0013","16.2973","0.0014","90","","90","","90","","2978.3","0.4","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H15 Cl2 N3 O Pd -","- C13 H15 Cl2 N3 O Pd -","- C104 H120 Cl16 N24 O8 Pd8 -","8","1","","Ionova, Violetta A.; Dmitrieva, Alena V.; Abel, Anton S.; Sergeev, Aleksandr D.; Evko, Grigory S.; Yakushev, Alexei A.; Gontcharenko, Victoria E.; Nefedov, Sergei E.; Roznyatovsky, Vitaly A.; Cheprakov, Andrey V.; Averin, Alexei D.; Magdesieva, Tatiana V.; Beletskaya, Irina P.","Di(pyridin-2-yl)amino-substituted 1,10-phenanthrolines and their Ru(II)-Pd(II) dinuclear complexes: synthesis, characterization and application in Cu-free Sonogashira reaction.","Dalton transactions (Cambridge, England : 2003)","2024","53","41","17021","17035","10.1039/d4dt02067g","","","0.71073","MoKα","","0.052","0.0429","","","0.107","0.1159","","","","","","1.041","","","","has coordinates","296510","2024-12-06","18:20:57",""
"1572686","12.689","0.008","14.266","0.009","14.621","0.009","84.687","0.011","88.882","0.011","83.021","0.011","2616","3","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C42 H31 Cl2 F12 N9 P2 Pd Ru -","- C42 H31 Cl2 F12 N9 P2 Pd Ru -","- C84 H62 Cl4 F24 N18 P4 Pd2 Ru2 -","2","1","","Ionova, Violetta A.; Dmitrieva, Alena V.; Abel, Anton S.; Sergeev, Aleksandr D.; Evko, Grigory S.; Yakushev, Alexei A.; Gontcharenko, Victoria E.; Nefedov, Sergei E.; Roznyatovsky, Vitaly A.; Cheprakov, Andrey V.; Averin, Alexei D.; Magdesieva, Tatiana V.; Beletskaya, Irina P.","Di(pyridin-2-yl)amino-substituted 1,10-phenanthrolines and their Ru(II)-Pd(II) dinuclear complexes: synthesis, characterization and application in Cu-free Sonogashira reaction.","Dalton transactions (Cambridge, England : 2003)","2024","53","41","17021","17035","10.1039/d4dt02067g","","","0.71073","MoKα","","0.1637","0.0732","","","0.17","0.2142","","","","","","0.907","","","","has coordinates,has disorder","296510","2024-12-06","18:20:57",""
"1572687","12.8044","0.0011","12.9789","0.0012","17.6396","0.0014","86.755","0.003","71.875","0.002","76.129","0.003","2704.3","0.4","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C42 H31 Cl2 F12 N9 P2 Pd Ru -","- C42 H31 Cl2 F12 N9 P2 Pd Ru -","- C84 H62 Cl4 F24 N18 P4 Pd2 Ru2 -","2","1","","Ionova, Violetta A.; Dmitrieva, Alena V.; Abel, Anton S.; Sergeev, Aleksandr D.; Evko, Grigory S.; Yakushev, Alexei A.; Gontcharenko, Victoria E.; Nefedov, Sergei E.; Roznyatovsky, Vitaly A.; Cheprakov, Andrey V.; Averin, Alexei D.; Magdesieva, Tatiana V.; Beletskaya, Irina P.","Di(pyridin-2-yl)amino-substituted 1,10-phenanthrolines and their Ru(II)-Pd(II) dinuclear complexes: synthesis, characterization and application in Cu-free Sonogashira reaction.","Dalton transactions (Cambridge, England : 2003)","2024","53","41","17021","17035","10.1039/d4dt02067g","","","0.71073","MoKα","","0.0863","0.0678","","","0.1664","0.1801","","","","","","1.047","","","","has coordinates,has disorder","296510","2024-12-06","18:20:57",""
"1572688","15.929","0.002","13.377","0.002","31.338","0.005","90","","98.093","0.006","90","","6611.1","1.7","150","","150","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C28 H40 F3 N2 O S Si2 Y -","- C28 H40 F3 N2 O S Si2 Y -","- C224 H320 F24 N16 O8 S8 Si16 Y8 -","8","1","","Wang, Xiuling; Wang, Yang; Qin, Zhonglei; Shen, Liying; Shi, Xiaochao","Polymerization of isoprene and butadiene with unparalleled stereoselectivity catalysed by rare-earth metal cationic species bearing a novel tridentate ligand","Polymer Chemistry","2024","15","41","4255","4263","10.1039/D4PY00781F","","","0.71073","MoKα","","0.071","0.0577","","","0.1512","0.1616","","","","","","1.03","","","","has coordinates","296714","2024-12-06","20:53:08",""
"1572689","7.7983","0.0004","11.6527","0.0007","13.2826","0.0008","77.243","0.003","87.408","0.002","86.971","0.002","1174.87","0.12","268","","268","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H29 B N2 O2 -","- C28 H29 B N2 O2 -","- C56 H58 B2 N4 O4 -","2","1","","Liu, Lu; Li, Sheng; Luo, Wendan; Yao, Jiashuang; Liu, Taihong; Qin, Molin; Huang, Zhiyan; Ding, Liping; Fang, Yu","Compact device prototype for turn-on fluorescence detection of sarin based on reactive 4,4-diaryloxy-BODIPY derivatives","Sensors & Diagnostics","2024","","","","","10.1039/D4SD00228H","","","0.71073","MoKα","","0.0627","0.0456","","","0.1233","0.1412","","","","","","1.069","","","","has coordinates","294879","2024-09-25","01:36:23",""
"1572690","10.4188","0.0006","10.4188","0.0006","10.3323","0.0008","90","","90","","120","","971.32","0.11","293","2","293","","","","","","","","","4","P -6 2 c","P -6c -2c","190","","","","- Al3 Cs O21 Se8 -","- Al3 Cs O21 Se8 -","- Al6 Cs2 O42 Se16 -","2","0.166667","","Li, Qian; Zheng, Yi; Wu, Hongping; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Yu, Hongwei","Reticular chemistry-aided Effective Design of New Second-Order Nonlinear Optical Selenites","Materials Horizons","2024","","","","","10.1039/D4MH01043D","","","0.71073","MoKα","","0.0235","0.0208","","","0.0424","0.0432","","","","","","1.0526","","","","has coordinates","294880","2024-09-25","01:46:37",""
"1572691","21.073","0.006","6.658","0.002","21.467","0.006","90","","117.635","0.006","90","","2668.3","1.3","300","","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1202_GT_iboga_Wayama","","- C27 H34 N2 O5 Si -","- C27 H34 N2 O5 Si -","- C108 H136 N8 O20 Si4 -","4","1","","Tay, Gavin; Nishimura, Soushi; Oguri, Hiroki","Direct photochemical intramolecular [4 + 2] cycloadditions of dehydrosecodine-type substrates for the synthesis of the <i>iboga</i>-type scaffold and divergent [2 + 2] cycloadditions employing micro-flow system.","Chemical science","2024","15","38","15599","15609","10.1039/d4sc02597k","","","0.71073","MoKα","","0.2993","0.0879","","","0.2275","0.3378","","","","","","0.893","","","","has coordinates","295202","2024-10-06","07:12:58",""
"1572692","10.9336","0.0004","17.7838","0.0005","13.0108","0.0004","90","","102.254","0.003","90","","2472.19","0.14","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H30 Cl2 Fe N7 P3 -","- C19 H30 Cl2 Fe N7 P3 -","- C76 H120 Cl8 Fe4 N28 P12 -","4","1","","Tay, Gavin; Nishimura, Soushi; Oguri, Hiroki","Direct photochemical intramolecular [4 + 2] cycloadditions of dehydrosecodine-type substrates for the synthesis of the <i>iboga</i>-type scaffold and divergent [2 + 2] cycloadditions employing micro-flow system.","Chemical science","2024","15","38","15599","15609","10.1039/d4sc02597k","","","0.71073","MoKα","","0.0385","0.0307","","","0.075","0.079","","","","","","1.037","","","","has coordinates","295202","2024-10-06","07:12:59",""
"1572693","10.4706","0.0018","11.081","0.002","18.106","0.003","90","","97.388","0.004","90","","2083.3","0.6","109","","109","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bowl-type scaffold","","- C24 H28 N2 O4 -","- C24 H28 N2 O4 -","- C96 H112 N8 O16 -","4","1","","Tay, Gavin; Nishimura, Soushi; Oguri, Hiroki","Direct photochemical intramolecular [4 + 2] cycloadditions of dehydrosecodine-type substrates for the synthesis of the <i>iboga</i>-type scaffold and divergent [2 + 2] cycloadditions employing micro-flow system.","Chemical science","2024","15","38","15599","15609","10.1039/d4sc02597k","","","0.71073","MoKα","","0.1976","0.0772","","","0.1655","0.2437","","","","","","0.955","","","","has coordinates","295202","2024-10-06","07:12:59",""
"1572694","6.9906","0.0003","13.5843","0.0008","16.4969","0.001","111.425","0.005","91.674","0.004","104.299","0.004","1400.71","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H62 Cu4 N14 O22 -","- C46 H62 Cu4 N14 O22 -","- C46 H62 Cu4 N14 O22 -","1","0.5","","Chang Liao, Nien-Chi; Basha, R. Sidick; Shih, Bo-Hao; Liu, Chia-Chun; Wang, Miao-Han; Lin, Po-Heng; Lee, Chin-Fa","Copper cluster complex-catalyzed C–S bond formation","Catalysis Science & Technology","2024","14","22","6609","6620","10.1039/D4CY00968A","","","0.71073","MoKα","","0.054","0.0437","","","0.1016","0.1057","","","","","","1.185","","","","has coordinates","296255","2024-12-06","14:27:53",""
"1572695","23.249","0.004","24.663","0.004","19.015","0.003","90","","114.638","0.003","90","","9910","3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H88 Cu8 N24 O36 -","- C80 H88 Cu8 N24 O36 -","- C320 H352 Cu32 N96 O144 -","4","0.5","","Chang Liao, Nien-Chi; Basha, R. Sidick; Shih, Bo-Hao; Liu, Chia-Chun; Wang, Miao-Han; Lin, Po-Heng; Lee, Chin-Fa","Copper cluster complex-catalyzed C–S bond formation","Catalysis Science & Technology","2024","14","22","6609","6620","10.1039/D4CY00968A","","","0.71073","MoKα","","0.159","0.0713","","","0.188","0.2546","","","","","","0.99","","","","has coordinates,has disorder","296255","2024-12-06","14:27:55",""
"1572696","24.8301","0.0013","11.1779","0.0006","25.5838","0.001","90","","117.139","0.003","90","","6319","0.6","150","2","150","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C64 H58 Cu4 N8 O14 -","- C64 H58 Cu4 N8 O14 -","- C256 H232 Cu16 N32 O56 -","4","0.5","","Chang Liao, Nien-Chi; Basha, R. Sidick; Shih, Bo-Hao; Liu, Chia-Chun; Wang, Miao-Han; Lin, Po-Heng; Lee, Chin-Fa","Copper cluster complex-catalyzed C–S bond formation","Catalysis Science & Technology","2024","14","22","6609","6620","10.1039/D4CY00968A","","","0.71073","MoKα","","0.053","0.0464","","","0.1195","0.1253","","","","","","1.036","","","","has coordinates","296255","2024-12-06","14:28:04",""
"1572697","20.291","0.002","5.8861","0.0006","14.4945","0.0014","90","","128.653","0.004","90","","1351.9","0.2","100","2","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H17 N O -","- C16 H17 N O -","- C64 H68 N4 O4 -","4","1","","Pan, Xiuhong; Lan, Linfeng; Zhang, Hongyu","Flexible organic crystals with multi-stimuli-responsive CPL for broadband multicolor optical waveguides.","Chemical science","2024","15","42","17444","17452","10.1039/d4sc05005c","","","1.54178","CuKα","","0.0528","0.0431","","","0.1078","0.1179","","","","","","1.046","","","","has coordinates","296385","2024-12-06","16:36:48",""
"1572698","20.0857","0.0012","5.8189","0.0004","14.3076","0.0009","90","","128.517","0.002","90","","1308.39","0.15","100","2","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H17 N O -","- C16 H17 N O -","- C64 H68 N4 O4 -","4","1","","Pan, Xiuhong; Lan, Linfeng; Zhang, Hongyu","Flexible organic crystals with multi-stimuli-responsive CPL for broadband multicolor optical waveguides.","Chemical science","2024","15","42","17444","17452","10.1039/d4sc05005c","","","1.54178","CuKα","","0.0428","0.0401","","","0.0975","0.1005","","","","","","1.082","","","","has coordinates","296385","2024-12-06","16:36:49",""
"1572699","12.704","0.004","13.535","0.004","14.921","0.003","90","","90","","90","","2565.6","1.2","100","","100","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C14 H18 F6 N4 Si Zn -","- C14 H18 F6 N4 Si Zn -","- C56 H72 F24 N16 Si4 Zn4 -","4","0.5","","O'Hearn, Daniel J; Sensharma, Debobroto; Raza, Asif; Bezrukov, Andrey A.; Vandichel, Matthias; Mukherjee, Soumya; Zaworotko, Michael J.","Crystal engineering of a new platform of hybrid ultramicroporous materials and their C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> separation properties.","Chemical science","2024","15","43","17937","17943","10.1039/d4sc03029j","","","1.54184","CuKα","","0.1088","0.0709","","","0.1692","0.1914","","","","","","0.979","","","","has coordinates","296372","2024-12-06","16:30:55",""
"1572700","16.713","0.0015","8.6188","0.001","9.356","0.0008","90","","103.976","0.009","90","","1307.8","0.2","240","0.1","240","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","DTST","","- C26 H20 N4 O4 S2 -","- C26 H20 N4 O4 S2 -","- C52 H40 N8 O8 S4 -","2","0.5","","Sun, Hui-Li; Zhang, Qiang-Sheng; Wang, Zhong-Hao; Huang, Yan-Ting; Pan, Mei","Long-persistent luminescence by host-guest Förster resonance energy transfer.","Chemical science","2024","15","42","17600","17607","10.1039/d4sc04746j","","x-ray","1.54184","CuKα","","0.0535","0.0471","","","0.1245","0.131","","","","","","1.116","","","","has coordinates","296391","2024-12-06","16:39:18",""
"1572701","8.589","0.0005","13.184","0.0008","39.0756","0.0017","90","","90","","90","","4424.8","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","DPDA","","- C25 H18 N3 O7 -","- C25 H18 N3 O7 -","- C200 H144 N24 O56 -","8","1","","Sun, Hui-Li; Zhang, Qiang-Sheng; Wang, Zhong-Hao; Huang, Yan-Ting; Pan, Mei","Long-persistent luminescence by host-guest Förster resonance energy transfer.","Chemical science","2024","15","42","17600","17607","10.1039/d4sc04746j","","x-ray","1.54184","CuKα","","0.0702","0.0489","","","0.1236","0.1362","","","","","","1.042","","","","has coordinates","296391","2024-12-06","16:39:18",""
"1572702","9.0653","0.0002","8.3658","0.0002","20.4585","0.0005","90","","94.228","0.002","90","","1547.32","0.06","293","2","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","1","","- C32 H36 Br2 N2 O4 -","- C32 H36 Br2 N2 O4 -","- C64 H72 Br4 N4 O8 -","2","1","","Jin, Ke; Xiao, Zuo; Xie, Huidong; Shen, Xingxing; Wang, Jizheng; Chen, Xiangyu; Wang, Zhijie; Zhao, Zujin; Yan, Keyou; Ding, Yong; Ding, Liming","Tether-entangled conjugated helices.","Chemical science","2024","15","41","17128","17149","10.1039/d4sc04796f","","x-ray","1.54184","CuKα","","0.0765","0.0753","","","0.208","0.2102","","","","","","1.072","","","","has coordinates","296365","2024-12-06","16:25:43",""
"1572703","8.6414","0.0004","10.489","0.0005","11.9877","0.0006","90","","95.388","0.002","90","","1081.76","0.09","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H26 N2 O2 -","- C28 H26 N2 O2 -","- C56 H52 N4 O4 -","2","1","","Jin, Ke; Xiao, Zuo; Xie, Huidong; Shen, Xingxing; Wang, Jizheng; Chen, Xiangyu; Wang, Zhijie; Zhao, Zujin; Yan, Keyou; Ding, Yong; Ding, Liming","Tether-entangled conjugated helices.","Chemical science","2024","15","41","17128","17149","10.1039/d4sc04796f","","x-ray","1.34139","Synchrotron","GaKα","0.0526","0.05","","","0.1304","0.1333","","","","","","1.051","","","","has coordinates","296365","2024-12-06","16:25:43",""
"1572704","11.676","0.0005","9.3251","0.0004","13.9069","0.0005","90","","93.036","0.001","90","","1512.06","0.11","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H36 Br2 N2 O4 -","- C32 H36 Br2 N2 O4 -","- C64 H72 Br4 N4 O8 -","2","1","","Jin, Ke; Xiao, Zuo; Xie, Huidong; Shen, Xingxing; Wang, Jizheng; Chen, Xiangyu; Wang, Zhijie; Zhao, Zujin; Yan, Keyou; Ding, Yong; Ding, Liming","Tether-entangled conjugated helices.","Chemical science","2024","15","41","17128","17149","10.1039/d4sc04796f","","x-ray","1.34139","Synchrotron","GaKα","0.0289","0.0279","","","0.0687","0.0693","","","","","","1.046","","","","has coordinates,has disorder","296365","2024-12-06","16:25:43",""
"1572705","15.9463","0.0003","15.9463","0.0003","35.1878","0.0011","90","","90","","90","","8947.7","0.4","170","2","170","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C48 H48 Cl3.5 F2 N4 -","- C48 H48 Cl3.5 F2 N4 -","- C384 H384 Cl28 F16 N32 -","8","1","","Jin, Ke; Xiao, Zuo; Xie, Huidong; Shen, Xingxing; Wang, Jizheng; Chen, Xiangyu; Wang, Zhijie; Zhao, Zujin; Yan, Keyou; Ding, Yong; Ding, Liming","Tether-entangled conjugated helices.","Chemical science","2024","15","41","17128","17149","10.1039/d4sc04796f","","","0.71073","MoKα","","0.0889","0.0757","","","0.2198","0.2383","","","","","","1.072","","","","has coordinates,has disorder","296365","2024-12-06","16:25:43",""
"1572706","13.8368","0.0013","22.1444","0.0019","17.5091","0.0016","90","","110.064","0.004","90","","5039.3","0.8","170","","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C119 H140 N8 O13 -","- C119 H140 N8 O13 -","- C238 H280 N16 O26 -","2","1","","Jin, Ke; Xiao, Zuo; Xie, Huidong; Shen, Xingxing; Wang, Jizheng; Chen, Xiangyu; Wang, Zhijie; Zhao, Zujin; Yan, Keyou; Ding, Yong; Ding, Liming","Tether-entangled conjugated helices.","Chemical science","2024","15","41","17128","17149","10.1039/d4sc04796f","","","1.34139","GaKα","","0.0962","0.0676","","","0.169","0.1908","","","","","","1.09","","","","has coordinates,has disorder","296365","2024-12-06","16:25:43",""
"1572707","15.9913","0.0015","19.7892","0.0019","21.961","0.002","112.136","0.004","107.694","0.004","95.621","0.004","5952.5","1","170","2","170","","","","","","","","","5","P 1","P 1","1","","","","- C104 H110 Br4 N10 O10 -","- C104 H110 Br4 N10 O10 -","- C208 H220 Br8 N20 O20 -","2","2","","Jin, Ke; Xiao, Zuo; Xie, Huidong; Shen, Xingxing; Wang, Jizheng; Chen, Xiangyu; Wang, Zhijie; Zhao, Zujin; Yan, Keyou; Ding, Yong; Ding, Liming","Tether-entangled conjugated helices.","Chemical science","2024","15","41","17128","17149","10.1039/d4sc04796f","","x-ray","1.34139","GaKα","","0.1033","0.0674","","","0.1804","0.2034","","","","","","0.947","","","","has coordinates","296365","2024-12-06","16:25:43",""
"1572708","40.326","0.002","20.5209","0.0011","16.032","0.0009","90","","110.733","0.002","90","","12407.7","1.2","170","","170","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C103 H104 Br4 Cl2 N10 O8 -","- C103 H104 Br4 Cl2 N10 O8 -","- C412 H416 Br16 Cl8 N40 O32 -","4","1","","Jin, Ke; Xiao, Zuo; Xie, Huidong; Shen, Xingxing; Wang, Jizheng; Chen, Xiangyu; Wang, Zhijie; Zhao, Zujin; Yan, Keyou; Ding, Yong; Ding, Liming","Tether-entangled conjugated helices.","Chemical science","2024","15","41","17128","17149","10.1039/d4sc04796f","","x-ray","1.34139","GaKα","","0.1158","0.0713","","","0.1911","0.2218","","","","","","0.959","","","","has coordinates","296365","2024-12-06","16:25:43",""
"1572709","41.3673","0.0006","24.2477","0.0003","9.2397","0.0002","90","","90","","90","","9268","0.3","100","","100","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C96 H49 Bi2 Co2 N8 O16 -","- C96 H50 Bi2 Co2 N8 O18 -","- C384 H200 Bi8 Co8 N32 O72 -","4","1","","He, Liang; He, Jing; Chen, Er-Xia; Lin, Qipu","Boosting photothermal conversion through array aggregation of metalloporphyrins in bismuth-based coordination frameworks.","Chemical science","2024","15","42","17498","17505","10.1039/d4sc04063e","","x-ray","1.3405","GaKα","","0.0637","0.0607","","","0.1525","0.1545","","","","","","1.047","","","","has coordinates","296384","2024-12-06","16:36:38",""
"1572710","41.7558","0.0005","24.304","0.0003","9.2689","0.0001","90","","90","","90","","9406.39","0.19","199.99","0.1","199.99","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C96 Bi2 N8 Ni2 O16 -","- C96 Bi2 N8 Ni2 O16 -","- C384 Bi8 N32 Ni8 O64 -","4","1","","He, Liang; He, Jing; Chen, Er-Xia; Lin, Qipu","Boosting photothermal conversion through array aggregation of metalloporphyrins in bismuth-based coordination frameworks.","Chemical science","2024","15","42","17498","17505","10.1039/d4sc04063e","","x-ray","1.3405","GaKα","","0.0814","0.0707","","","0.1856","0.192","","","","","","1.073","","","","has coordinates","296384","2024-12-06","16:36:38",""
"1572711","12.4689","0.0018","12.5848","0.0017","15.188","0.0018","104.71","0.004","90.508","0.004","116.886","0.004","2034.7","0.5","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H48 Dy N2 O6 -","- C43 H48 Dy N2 O6 -","- C86 H96 Dy2 N4 O12 -","2","1","","Wang, Yafu; Zeng, Zhaopeng; Luo, Shuchang; Guo, Yan; Liu, Xiangyu","Enhancing the single-molecule magnetic performance of β-diketonate Dy(III) complexes by modulating the coordination microenvironment and magnetic interaction: from a mononuclear to a dinuclear structure.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17272","17280","10.1039/d4dt02179g","","","0.71073","MoKα","","0.024","0.0209","","","0.0496","0.0512","","","","","","1.074","","","","has coordinates,has disorder","296529","2024-12-06","18:28:33",""
"1572712","12.3509","0.0002","12.3509","0.0002","51.4803","0.0016","90","","90","","120","","6800.9","0.3","300","2","300","2","","","","","","","","5","P 65","P 65","170","","","","- C49 H53 N2 O6 Y -","- C49 H53 N2 O6 Y -","- C294 H318 N12 O36 Y6 -","6","1","","Wang, Yafu; Zeng, Zhaopeng; Luo, Shuchang; Guo, Yan; Liu, Xiangyu","Enhancing the single-molecule magnetic performance of β-diketonate Dy(III) complexes by modulating the coordination microenvironment and magnetic interaction: from a mononuclear to a dinuclear structure.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17272","17280","10.1039/d4dt02179g","","","0.71073","MoKα","","0.07","0.0519","","","0.1294","0.1379","","","","","","1.001","","","","has coordinates","296529","2024-12-06","18:28:34",""
"1572713","12.379","0.0007","12.379","0.0007","51.501","0.004","90","","90","","120","","6834.7","0.8","300","2","300.15","","","","","","","","","5","P 61","P 61","169","","","","- C49 H53 Dy N2 O6 -","- C49 H53 Dy N2 O6 -","- C294 H318 Dy6 N12 O36 -","6","1","","Wang, Yafu; Zeng, Zhaopeng; Luo, Shuchang; Guo, Yan; Liu, Xiangyu","Enhancing the single-molecule magnetic performance of β-diketonate Dy(III) complexes by modulating the coordination microenvironment and magnetic interaction: from a mononuclear to a dinuclear structure.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17272","17280","10.1039/d4dt02179g","","","0.71073","MoKα","","0.0234","0.0207","","","0.0435","0.0445","","","","","","1.058","","","","has coordinates,has disorder","296529","2024-12-06","18:28:35",""
"1572714","11.321","0.003","11.321","","9.154","0.003","90","","90","","90","","1173.2","0.5","293","2","293.15","","","","","","","","","5","I 4/m","-I 4","87","","","","- C16 H26 Ag2 N4 O13 -","- C16 H26 Ag2 N4 O13 -","- C32 H52 Ag4 N8 O26 -","2","0.125","","Larsen, Emil Mickey Hilligsøe; Brock-Nannestad, Theis; Skibsted, Jørgen; Reinholdt, Anders; Bendix, Jesper","A homoleptic Ag<sup>III</sup> complex stabilized by succinimidate ligands.","Chemical science","2024","15","43","18067","18075","10.1039/d4sc04843a","","","0.71073","MoKα","","0.0299","0.0293","","","0.0811","0.0817","","","","","","1.149","","","","has coordinates,has disorder","296379","2024-12-06","16:33:59",""
"1572715","11.3504","0.0005","11.3504","0.0005","8.7443","0.0004","90","","90","","90","","1126.54","0.09","122","2","122","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C16 H24 Ag Cs N4 O12 -","- C16 H24 Ag Cs N4 O12 -","- C32 H48 Ag2 Cs2 N8 O24 -","2","0.125","","Larsen, Emil Mickey Hilligsøe; Brock-Nannestad, Theis; Skibsted, Jørgen; Reinholdt, Anders; Bendix, Jesper","A homoleptic Ag<sup>III</sup> complex stabilized by succinimidate ligands.","Chemical science","2024","15","43","18067","18075","10.1039/d4sc04843a","","","0.71073","MoKα","","0.023","0.0218","","","0.0511","0.0518","","","","","","1.133","","","","has coordinates","296379","2024-12-06","16:33:59",""
"1572716","8.2595","0.0005","9.1546","0.0006","9.1795","0.0006","64.956","0.002","67.171","0.002","87.677","0.002","573.17","0.07","122","2","122","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H24 N4 Na2 O12 Pd -","- C16 H24 N4 Na2 O12 Pd -","- C16 H24 N4 Na2 O12 Pd -","1","0.5","","Larsen, Emil Mickey Hilligsøe; Brock-Nannestad, Theis; Skibsted, Jørgen; Reinholdt, Anders; Bendix, Jesper","A homoleptic Ag<sup>III</sup> complex stabilized by succinimidate ligands.","Chemical science","2024","15","43","18067","18075","10.1039/d4sc04843a","","","0.71073","MoKα","","0.0184","0.018","","","0.0446","0.0448","","","","","","1.093","","","","has coordinates,has disorder","296379","2024-12-06","16:33:59",""
"1572717","9.7035","0.0006","13.0999","0.0008","13.5608","0.0009","68.125","0.002","73.051","0.002","76.873","0.002","1516.49","0.17","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H16 Ag Cs N2 O8 -","- C8 H16 Ag Cs N2 O8 -","- C32 H64 Ag4 Cs4 N8 O32 -","4","2","","Larsen, Emil Mickey Hilligsøe; Brock-Nannestad, Theis; Skibsted, Jørgen; Reinholdt, Anders; Bendix, Jesper","A homoleptic Ag<sup>III</sup> complex stabilized by succinimidate ligands.","Chemical science","2024","15","43","18067","18075","10.1039/d4sc04843a","","","0.71073","MoKα","","0.0346","0.0218","","","0.0419","0.0451","","","","","","1.026","","","","has coordinates","296379","2024-12-06","16:33:59",""
"1572718","11.3963","0.0009","11.3963","0.0009","8.5069","0.0006","90","","90","","90","","1104.84","0.15","100","2","100","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C32 H48 Ag2 N8 O24 Rb2 -","- C32 H48 Ag2 N8 O24 Rb2 -","- C32 H48 Ag2 N8 O24 Rb2 -","1","0.0625","","Larsen, Emil Mickey Hilligsøe; Brock-Nannestad, Theis; Skibsted, Jørgen; Reinholdt, Anders; Bendix, Jesper","A homoleptic Ag<sup>III</sup> complex stabilized by succinimidate ligands.","Chemical science","2024","15","43","18067","18075","10.1039/d4sc04843a","","","0.71073","MoKα","","0.0305","0.0214","","","0.0438","0.0459","","","","","","1.125","","","","has coordinates","296379","2024-12-06","16:33:59",""
"1572719","11.554","0.004","11.554","","8.42","0.003","90","","90","","90","","1124","0.6","100","2","100","2","","","","","","","","6","I 4/m","-I 4","87","","potassium tetrasuccinimidatoargentate(III)","","- C2 H3 Ag0.12 K0.12 N0.5 O1.5 -","- C2 H3 Ag0.125 K0.125 N0.5 O1.5 -","- C32 H48 Ag2 K2 N8 O24 -","16","1","","Larsen, Emil Mickey Hilligsøe; Brock-Nannestad, Theis; Skibsted, Jørgen; Reinholdt, Anders; Bendix, Jesper","A homoleptic Ag<sup>III</sup> complex stabilized by succinimidate ligands.","Chemical science","2024","15","43","18067","18075","10.1039/d4sc04843a","","","0.71073","MoKα","","0.0143","0.0143","","","0.0398","0.0398","","","","","","1.209","","","","has coordinates","296379","2024-12-06","16:33:59",""
"1572720","4.7117","0.0002","15.8669","0.0008","22.3016","0.0012","90","","90","","90","","1667.27","0.14","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N4 O2 S -","- C17 H18 N4 O2 S -","- C68 H72 N16 O8 S4 -","4","1","","Yan, Xiaosheng; Weng, Peimin; Cao, Jinlian; Lin, Kexin; Qi, Yuanwei; Wu, Xin; Jiang, Yun-Bao","Simultaneous formation of helical and sheet-like assemblies from short azapeptides enables spontaneous resolution.","Nanoscale","2024","16","41","19221","19227","10.1039/d4nr02872d","","","0.71073","MoKα","","0.0377","0.0329","","","0.0727","0.0759","","","","","","1.065","","","","has coordinates","296616","2024-12-06","20:04:34",""
"1572721","11.7516","0.0002","8.5624","0.0001","18.929","0.0003","90","","91.274","0.001","90","","1904.2","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 N4 O3 S -","- C18 H22 N4 O3 S -","- C72 H88 N16 O12 S4 -","4","1","","Yan, Xiaosheng; Weng, Peimin; Cao, Jinlian; Lin, Kexin; Qi, Yuanwei; Wu, Xin; Jiang, Yun-Bao","Simultaneous formation of helical and sheet-like assemblies from short azapeptides enables spontaneous resolution.","Nanoscale","2024","16","41","19221","19227","10.1039/d4nr02872d","","","1.54184","CuKα","","0.0407","0.0381","","","0.1019","0.1046","","","","","","1.057","","","","has coordinates","296616","2024-12-06","20:04:35",""
"1572722","4.704","0.0001","15.8512","0.0003","22.2569","0.0004","90","","90","","90","","1659.56","0.06","99.9","0.7","99.9","0.7","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N4 O2 S -","- C17 H18 N4 O2 S -","- C68 H72 N16 O8 S4 -","4","1","","Yan, Xiaosheng; Weng, Peimin; Cao, Jinlian; Lin, Kexin; Qi, Yuanwei; Wu, Xin; Jiang, Yun-Bao","Simultaneous formation of helical and sheet-like assemblies from short azapeptides enables spontaneous resolution.","Nanoscale","2024","16","41","19221","19227","10.1039/d4nr02872d","","","1.54184","CuKα","","0.0536","0.0462","","","0.1142","0.1388","","","","","","1.133","","","","has coordinates","296616","2024-12-06","20:04:35",""
"1572723","4.6565","0.0001","16.8753","0.0003","22.9925","0.0004","90","","90","","90","","1806.75","0.06","100.1","0.2","100.1","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 I N4 O2 S -","- C17 H17 I N4 O2 S -","- C68 H68 I4 N16 O8 S4 -","4","1","","Yan, Xiaosheng; Weng, Peimin; Cao, Jinlian; Lin, Kexin; Qi, Yuanwei; Wu, Xin; Jiang, Yun-Bao","Simultaneous formation of helical and sheet-like assemblies from short azapeptides enables spontaneous resolution.","Nanoscale","2024","16","41","19221","19227","10.1039/d4nr02872d","","","1.54184","CuKα","","0.0615","0.0585","","","0.1556","0.1741","","","","","","1.156","","","","has coordinates,has disorder","296616","2024-12-06","20:04:35",""
"1572724","4.6568","0.0001","16.8731","0.0004","22.9659","0.0006","90","","90","","90","","1804.54","0.07","99.9","0.7","99.9","0.7","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 I N4 O2 S -","- C17 H17 I N4 O2 S -","- C68 H68 I4 N16 O8 S4 -","4","1","","Yan, Xiaosheng; Weng, Peimin; Cao, Jinlian; Lin, Kexin; Qi, Yuanwei; Wu, Xin; Jiang, Yun-Bao","Simultaneous formation of helical and sheet-like assemblies from short azapeptides enables spontaneous resolution.","Nanoscale","2024","16","41","19221","19227","10.1039/d4nr02872d","","","1.54184","CuKα","","0.0449","0.0377","","","0.093","0.119","","","","","","1.145","","","","has coordinates","296616","2024-12-06","20:04:35",""
"1572725","11.323","0.004","11.323","0.004","11.323","0.004","90","","90","","90","","1451.7","0.9","296","2","296","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Tetratitanium diiron carbide oxide","","- C0.82 Fe2 O0.18 Ti4 -","- C0.82 Fe2 O0.18 Ti4 -","- C13.12 Fe32 O2.88 Ti64 -","16","0.0833333","WM5714","Liu, Huizi; Fan, Changzeng; Wen, Bin; Zhang, Lifeng","Ti4Fe2C0.82O0.18","IUCrData","2024","9","9","","","10.1107/S2414314624008903","","","0.71073","MoKα","","0.0399","0.0218","","","0.0371","0.0399","","","","","","1.142","","","","has coordinates,has disorder","294954","2024-10-01","02:26:57",""
"1572726","13.19118","0.00017","13.558","0.0002","38.8216","0.0007","90","","91.4236","0.0014","90","","6940.95","0.18","100","","100","0.4","","","","","","","","8","C 1 c 1","C -2yc","9","","[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-ylidene)(triphenylphosphane)iridium(I) tetrafluoridoborate dichloromethane hemisolvate","","- C34.5 H43 B Cl F4 Ir N3 P -","- C34.5 H43 B Cl F4 Ir N3 P -","- C276 H344 B8 Cl8 F32 Ir8 N24 P8 -","8","2","TK4109","Lerch, Timothy G.; Gau, Michael; Albert, Daniel R.; Rajaseelan, Edward","[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-ylidene)(triphenylphosphane)iridium(I) tetrafluoridoborate dichloromethane hemisolvate","IUCrData","2024","9","9","","","10.1107/S2414314624009416","","","0.71073","MoKα","","0.0532","0.0506","","","0.1316","0.1331","","","","","","1.078","","","","has coordinates,has disorder","294955","2024-10-01","02:27:16",""
"1572727","10.373","0.004","5.1899","0.0014","7.557","0.003","90","","99.94","0.03","90","","400.7","0.2","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Bromoacetamide","","- C2 H4 Br N O -","- C2 H4 Br N O -","- C8 H16 Br4 N4 O4 -","4","1","BH4089","Schwarzer, Anke; Stapf, Manuel","2-Bromoacetamide","IUCrData","2024","9","9","","","10.1107/S2414314624008630","","x-ray","0.71073","MoKα","","0.0362","0.0275","","","0.0654","0.0682","","","","","","1.044","","","","has coordinates","294956","2024-10-01","02:27:30",""
"1572728","18.512","0.003","27.014","0.004","7.4371","0.0012","90","","90","","90","","3719.2","1","296.15","","296.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C18 H20 N4 O S -","- C18 H20 N4 O S -","- C144 H160 N32 O8 S8 -","8","1","","Hu, Didi; Bu, Yingcui; Liu, Mengxiao; Bai, Fuqing; Li, Jingjing; Li, Longchun; Cai, Huimei; Gan, Xiaoping","A simple fluorescent probe for selectively detecting Al<sup>3+</sup> and F<sup>-</sup> in living cells and growing tea plants.","Analytical methods : advancing methods and applications","2024","16","45","7781","7788","10.1039/d4ay01419g","","","0.71073","MoKα","","0.1512","0.0757","","","0.2167","0.2646","","","","","","1.052","","","","has coordinates","296253","2024-12-06","14:24:40",""
"1572729","16.3354","0.0009","24.6172","0.0013","28.7146","0.0015","75.3941","0.0012","87.8609","0.0013","89.5919","0.0012","11166.1","1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C207 H205 Cu9 N2 Na4 O49.5 P4 Si20 -","- C207 H205 Cu9 N2 Na4 O49.5 P4 Si20 -","- C414 H410 Cu18 N4 Na8 O99 P8 Si40 -","2","1","","Bilyachenko, Alexey N.; Khrustalev, Victor N.; Huang, Zhibin; Dubinina, Kristina D.; Shubina, Elena S.; Lobanov, Nikolai N.; Sun, Di; Alegria, Elisabete C. B. A.; Pombeiro, Armando J. L.","An ionic Cu<sub>9</sub>Na<sub>4</sub>-phenylsilsesquioxane/bis(triphenylphosphine)iminium complex: synthesis, unique structure, and catalytic activity.","Nanoscale","2024","16","41","19266","19275","10.1039/d4nr02298j","","","0.71073","MoKα","","0.1898","0.1034","","","0.2066","0.2383","","","","","","1.059","","","","has coordinates,has disorder","296615","2024-12-06","20:04:19",""
"1572730","12.2018","0.0002","16.4476","0.0002","16.9585","0.0003","68.442","0.001","69.632","0.002","79.14","0.001","2960.26","0.09","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H57 La2 Li N8 O38 P10 -","- C34 H51 La2 Li N8 O38 P10 -","- C68 H102 La4 Li2 N16 O76 P20 -","2","1","","Ma, Yu-Juan; Xu, Fei; Ren, Xin-Ye; Chen, Fan-Yao; Pan, Jie; Li, Jin-Hua; Han, Song-De; Wang, Guo-Ming","A photoinduced electron-transfer strategy for switchable fluorescence and phosphorescence in lanthanide-based coordination polymers.","Chemical science","2024","15","42","17642","17651","10.1039/d4sc04632c","","","0.71073","MoKα","","0.0356","0.0297","","","0.0757","0.0785","","","","","","1.053","","","","has coordinates","296390","2024-12-06","16:39:03",""
"1572731","12.1985","0.0002","16.4328","0.0003","16.9643","0.0004","68.463","0.002","69.625","0.002","79.152","0.002","2958.13","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H57 La2 Li N8 O38 P10 -","- C34 H51 La2 Li N8 O38 P10 -","- C68 H102 La4 Li2 N16 O76 P20 -","2","1","","Ma, Yu-Juan; Xu, Fei; Ren, Xin-Ye; Chen, Fan-Yao; Pan, Jie; Li, Jin-Hua; Han, Song-De; Wang, Guo-Ming","A photoinduced electron-transfer strategy for switchable fluorescence and phosphorescence in lanthanide-based coordination polymers.","Chemical science","2024","15","42","17642","17651","10.1039/d4sc04632c","","","0.71073","MoKα","","0.0387","0.0334","","","0.0838","0.0859","","","","","","1.118","","","","has coordinates","296390","2024-12-06","16:39:04",""
"1572732","15.9465","0.0004","14.8115","0.0004","22.4995","0.0007","90","","90","","90","","5314.2","0.3","93","","93","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C31 H32 B2 N2 -","- C31 H32 B2 N2 -","- C248 H256 B16 N16 -","8","1","","Shibutani, Yuki; Kusumoto, Shuhei; Nozaki, Kyoko","Fully conjugated tetraborylethylene: selenium mediated C-C double bond formation from diborylcarbenoid.","Chemical science","2024","15","43","17912","17917","10.1039/d4sc05928j","","x-ray","0.71073","MoKα","","0.0534","0.0464","","","0.1264","0.1326","","","","","","1.045","","","","has coordinates","296383","2024-12-06","16:36:16",""
"1572733","23.3386","0.0007","22.7872","0.0006","12.1836","0.0004","90","","90","","90","","6479.5","0.3","93","2","93","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C62 H64 B4 N4 Se -","- C62 H64 B4 N4 Se -","- C248 H256 B16 N16 Se4 -","4","1","","Shibutani, Yuki; Kusumoto, Shuhei; Nozaki, Kyoko","Fully conjugated tetraborylethylene: selenium mediated C-C double bond formation from diborylcarbenoid.","Chemical science","2024","15","43","17912","17917","10.1039/d4sc05928j","","x-ray","0.71073","MoKα","","0.0409","0.0357","","","0.0948","0.0972","","","","","","1.048","","","","has coordinates","296383","2024-12-06","16:36:17",""
"1572734","15.6639","0.0006","16.1414","0.0007","23.311","0.001","90","","93.896","0.004","90","","5880.3","0.4","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H71 B4 N4 S -","- C65 H71 B4 N4 S -","- C260 H284 B16 N16 S4 -","4","1","","Shibutani, Yuki; Kusumoto, Shuhei; Nozaki, Kyoko","Fully conjugated tetraborylethylene: selenium mediated C-C double bond formation from diborylcarbenoid.","Chemical science","2024","15","43","17912","17917","10.1039/d4sc05928j","","x-ray","0.71073","MoKα","","0.103","0.0561","","","0.1238","0.1424","","","","","","1.018","","","","has coordinates","296383","2024-12-06","16:36:17",""
"1572735","14.4403","0.0004","25.7841","0.0009","32.0022","0.0011","90","","90","","90","","11915.4","0.7","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C62 H64 B4 N4 Se4.85 -","- C62 H64 B4 N4 Se4.8501 -","- C496 H512 B32 N32 Se38.8008 -","8","1","","Shibutani, Yuki; Kusumoto, Shuhei; Nozaki, Kyoko","Fully conjugated tetraborylethylene: selenium mediated C-C double bond formation from diborylcarbenoid.","Chemical science","2024","15","43","17912","17917","10.1039/d4sc05928j","","x-ray","0.71073","MoKα","","0.0941","0.0575","","","0.1209","0.1327","","","","","","1.071","","","","has coordinates,has disorder","296383","2024-12-06","16:36:17",""
"1572736","18.1411","0.0011","18.1411","0.0011","10.1359","0.0009","90","","90","","120","","2888.8","0.4","100","2","100","2","","","","","","","","5","P 31","P 31","144","","","","- C31 H35 Au Cl N4 -","- C31 H35 Au Cl N4 -","- C93 H105 Au3 Cl3 N12 -","3","1","","Valdés, Hugo; Alpuente, Nora; Salvador, Pedro; Hashmi, A Stephen K; Ribas, Xavi","CCC-NHC Au(iii) pincer complexes as a reliable platform for isolating elusive species.","Chemical science","2024","15","42","17618","17628","10.1039/d4sc02999b","","","0.71073","MoKα","","0.168","0.0935","","","0.2049","0.2375","","","","","","1.038","","","","has coordinates","296393","2024-12-06","16:41:56",""
"1572737","9.2394","0.0004","13.0032","0.0007","13.1246","0.0007","82.772","0.003","84.032","0.003","85.266","0.003","1551.95","0.14","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H35 Au Cl N5 O0 -","- C31 H35 Au Cl N5 -","- C62 H70 Au2 Cl2 N10 -","2","1","","Valdés, Hugo; Alpuente, Nora; Salvador, Pedro; Hashmi, A Stephen K; Ribas, Xavi","CCC-NHC Au(iii) pincer complexes as a reliable platform for isolating elusive species.","Chemical science","2024","15","42","17618","17628","10.1039/d4sc02999b","","","0.71076","MoKα","","0.0826","0.0634","","","0.1574","0.1694","","","","","","1.136","","","","has coordinates","296393","2024-12-06","16:41:57",""
"1572738","19.51","0.008","10.172","0.004","28.549","0.011","90","","97.256","0.01","90","","5620","4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H60 Au2 B2 Cl2 F10 N8 -","- C57 H60 Au2 B2 Cl2 F10 N8 -","- C228 H240 Au8 B8 Cl8 F40 N32 -","4","1","","Valdés, Hugo; Alpuente, Nora; Salvador, Pedro; Hashmi, A Stephen K; Ribas, Xavi","CCC-NHC Au(iii) pincer complexes as a reliable platform for isolating elusive species.","Chemical science","2024","15","42","17618","17628","10.1039/d4sc02999b","","","0.71073","MoKα","","0.2442","0.1303","","","0.2571","0.314","","","","","","1.143","","","","has coordinates","296393","2024-12-06","16:41:58",""
"1572739","9.5527","0.0012","13.7464","0.0017","14.2095","0.0015","77.893","0.003","80.575","0.003","80.828","0.003","1784.6","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H36 Au B Cl2 F4 N4 -","- C37 H36 Au B Cl2 F4 N4 -","- C74 H72 Au2 B2 Cl4 F8 N8 -","2","1","","Valdés, Hugo; Alpuente, Nora; Salvador, Pedro; Hashmi, A Stephen K; Ribas, Xavi","CCC-NHC Au(iii) pincer complexes as a reliable platform for isolating elusive species.","Chemical science","2024","15","42","17618","17628","10.1039/d4sc02999b","","","0.71073","MoKα","","0.0878","0.0631","","","0.1186","0.1277","","","","","","1.066","","","","has coordinates,has disorder","296393","2024-12-06","16:41:58",""
"1572740","10.008","0.0004","10.3247","0.0004","16.4908","0.0006","86.08","0.001","89.998","0.001","69.301","0.001","1589.73","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H35 Au B Cl3 F4 N4 -","- C31 H35 Au B Cl3 F4 N4 -","- C62 H70 Au2 B2 Cl6 F8 N8 -","2","1","","Valdés, Hugo; Alpuente, Nora; Salvador, Pedro; Hashmi, A Stephen K; Ribas, Xavi","CCC-NHC Au(iii) pincer complexes as a reliable platform for isolating elusive species.","Chemical science","2024","15","42","17618","17628","10.1039/d4sc02999b","","","0.71073","MoKα","","0.052","0.0331","","","0.0689","0.0818","","","","","","1.172","","","","has coordinates,has disorder","296393","2024-12-06","16:41:58",""
"1572741","9.3865","0.0019","17.981","0.004","20.354","0.005","90","","98.923","0.006","90","","3393.7","1.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C62 H70 Au2 B2 Cl6 F8 N10 O -","- C62 H68 Au2 B2 Cl6 F8 N10 O -","- C124 H136 Au4 B4 Cl12 F16 N20 O2 -","2","0.5","","Valdés, Hugo; Alpuente, Nora; Salvador, Pedro; Hashmi, A Stephen K; Ribas, Xavi","CCC-NHC Au(iii) pincer complexes as a reliable platform for isolating elusive species.","Chemical science","2024","15","42","17618","17628","10.1039/d4sc02999b","","","0.71073","MoKα","","0.091","0.0715","","","0.1409","0.1488","","","","","","1.17","","","","has coordinates,has disorder","296393","2024-12-06","16:41:58",""
"1572742","9.2528","0.0006","16.3004","0.001","18.1706","0.001","90.162","0.002","95.521","0.003","95.26","0.003","2716.2","0.3","307","2","307","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Au B F4 N4 -","- C28 H30 Au B F4 N4 -","- C112 H120 Au4 B4 F16 N16 -","4","2","","Valdés, Hugo; Alpuente, Nora; Salvador, Pedro; Hashmi, A Stephen K; Ribas, Xavi","CCC-NHC Au(iii) pincer complexes as a reliable platform for isolating elusive species.","Chemical science","2024","15","42","17618","17628","10.1039/d4sc02999b","","","0.71073","MoKα","","0.1658","0.0741","","","0.1372","0.1698","","","","","","1.067","","","","has coordinates,has disorder","296393","2024-12-06","16:41:58",""
"1572743","14.84","0.02","15.5","0.02","16.5","0.03","95.25","0.04","99.16","0.04","108.37","0.03","3515","9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H73 B6 F24 N13 -","- C62 H73 B6 F24 N13 -","- C124 H146 B12 F48 N26 -","2","1","","Valdés, Hugo; Alpuente, Nora; Salvador, Pedro; Hashmi, A Stephen K; Ribas, Xavi","CCC-NHC Au(iii) pincer complexes as a reliable platform for isolating elusive species.","Chemical science","2024","15","42","17618","17628","10.1039/d4sc02999b","","","0.71076","MoKα","","0.1383","0.0668","","","0.1409","0.1654","","","","","","1.019","","","","has coordinates,has disorder","296393","2024-12-06","16:41:58",""
"1572744","10.54","0.0013","13.2869","0.0019","13.5269","0.0018","87.44","0.004","88.406","0.004","74.202","0.004","1820.7","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H72 Au2 B2 Cl12 F8 N8 -","- C62 H72 Au2 B2 Cl12 F8 N8 -","- C62 H72 Au2 B2 Cl12 F8 N8 -","1","0.5","","Valdés, Hugo; Alpuente, Nora; Salvador, Pedro; Hashmi, A Stephen K; Ribas, Xavi","CCC-NHC Au(iii) pincer complexes as a reliable platform for isolating elusive species.","Chemical science","2024","15","42","17618","17628","10.1039/d4sc02999b","","","0.71073","MoKα","","0.0562","0.0417","","","0.0946","0.1025","","","","","","1.059","","","","has coordinates,has disorder","296393","2024-12-06","16:41:58",""
"1572745","13.4261","0.0012","12.5589","0.0009","16.0123","0.0013","90","","90.397","0.003","90","","2699.9","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 Au B F4 N4 O2 -","- C29 H30 Au B F4 N4 O2 -","- C116 H120 Au4 B4 F16 N16 O8 -","4","1","","Valdés, Hugo; Alpuente, Nora; Salvador, Pedro; Hashmi, A Stephen K; Ribas, Xavi","CCC-NHC Au(iii) pincer complexes as a reliable platform for isolating elusive species.","Chemical science","2024","15","42","17618","17628","10.1039/d4sc02999b","","","0.71073","MoKα","","0.0575","0.0303","","","0.0565","0.0646","","","","","","1.047","","","","has coordinates","296393","2024-12-06","16:41:58",""
"1572746","19.7358","0.0014","17.0365","0.0014","18.688","0.0014","90","","90","","90","","6283.4","0.8","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C31 H35 Au B Cl2 F5 N4 -","- C31 H35 Au B Cl2 F5 N4 -","- C248 H280 Au8 B8 Cl16 F40 N32 -","8","2","","Valdés, Hugo; Alpuente, Nora; Salvador, Pedro; Hashmi, A Stephen K; Ribas, Xavi","CCC-NHC Au(iii) pincer complexes as a reliable platform for isolating elusive species.","Chemical science","2024","15","42","17618","17628","10.1039/d4sc02999b","","","0.71073","MoKα","","0.0941","0.0537","","","0.0939","0.1078","","","","","","1.085","","","","has coordinates,has disorder","296393","2024-12-06","16:41:58",""
"1572747","10.2345","0.0004","12.0047","0.0004","13.9944","0.0006","112.256","0.001","111.385","0.002","90.484","0.001","1460.15","0.1","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H26 Br F3 N O3 P S -","- C30 H26 Br F3 N O3 P S -","- C60 H52 Br2 F6 N2 O6 P2 S2 -","2","1","","Guo, Jia-Dong; Korsaye, Feven-Alemu; Schutz, Dorian; Ciofini, Ilaria; Miesch, Laurence","Photocatalyst-free, visible-light-induced regio- and stereoselective synthesis of phosphorylated enamines from <i>N</i>-allenamides <i>via</i> [1,3]-sulfonyl shift at room temperature.","Chemical science","2024","15","43","17962","17970","10.1039/d4sc05190d","","","0.71073","MoKα","","0.0513","0.0379","","","0.087","0.0961","","","","","","1.012","","","","has coordinates","296377","2024-12-06","16:32:26",""
"1572748","17.628","0.002","7.0992","0.001","13.6449","0.0016","90","","92.821","0.007","90","","1705.5","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 F3 N O2 S -","- C18 H18 F3 N O2 S -","- C72 H72 F12 N4 O8 S4 -","4","1","","Guo, Jia-Dong; Korsaye, Feven-Alemu; Schutz, Dorian; Ciofini, Ilaria; Miesch, Laurence","Photocatalyst-free, visible-light-induced regio- and stereoselective synthesis of phosphorylated enamines from <i>N</i>-allenamides <i>via</i> [1,3]-sulfonyl shift at room temperature.","Chemical science","2024","15","43","17962","17970","10.1039/d4sc05190d","","","0.71073","MoKα","","0.0796","0.0443","","","0.1183","0.1459","","","","","","0.856","","","","has coordinates","296377","2024-12-06","16:32:27",""
"1572749","11.2161","0.0017","11.2502","0.0018","11.6904","0.0018","89.379","0.005","62.804","0.004","74.413","0.005","1253","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H28 N O3 P S -","- C29 H28 N O3 P S -","- C58 H56 N2 O6 P2 S2 -","2","1","","Guo, Jia-Dong; Korsaye, Feven-Alemu; Schutz, Dorian; Ciofini, Ilaria; Miesch, Laurence","Photocatalyst-free, visible-light-induced regio- and stereoselective synthesis of phosphorylated enamines from <i>N</i>-allenamides <i>via</i> [1,3]-sulfonyl shift at room temperature.","Chemical science","2024","15","43","17962","17970","10.1039/d4sc05190d","","","1.54178","CuKα","","0.0423","0.0416","","","0.1345","0.1355","","","","","","1.021","","","","has coordinates","296377","2024-12-06","16:32:27",""
"1572750","10.9166","0.0009","11.0302","0.0009","11.9822","0.001","71.314","0.002","70.32","0.002","84.685","0.002","1286.73","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 Cl2 N6 O8 Zn -","- C22 H26 Cl2 N6 O8 Zn -","- C44 H52 Cl4 N12 O16 Zn2 -","2","1","","Anju, Balakrishnan S.; Nair, Neeraja R.; Rajput, Janavi; Bertke, Jeffery A.; Mondal, Bhaskar; Kundu, Subrata","Role of ancillary ligands in <i>S</i>-nitrosothiol and NO generation from nitrite-thiol interactions at mononuclear zinc(ii) sites.","Chemical science","2024","15","43","18000","18007","10.1039/d4sc04853a","","","0.71073","MoKα","","0.046","0.0329","","","0.0758","0.0824","","","","","","1.017","","","","has coordinates","296381","2024-12-06","16:35:04",""
"1572751","8.4126","0.0012","8.7175","0.0012","11.8242","0.0016","68.674","0.004","81.829","0.004","82.012","0.004","795.98","0.19","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C24 H32 F6 N8 O6 S2 Zn -","- C24 H32 F6 N8 O6 S2 Zn -","- C24 H32 F6 N8 O6 S2 Zn -","1","1","","Anju, Balakrishnan S.; Nair, Neeraja R.; Rajput, Janavi; Bertke, Jeffery A.; Mondal, Bhaskar; Kundu, Subrata","Role of ancillary ligands in <i>S</i>-nitrosothiol and NO generation from nitrite-thiol interactions at mononuclear zinc(ii) sites.","Chemical science","2024","15","43","18000","18007","10.1039/d4sc04853a","","","0.71073","MoKα","","0.0644","0.045","","","0.0976","0.1039","","","","","","1.045","","","","has coordinates","296381","2024-12-06","16:35:06",""
"1572752","9.7462","0.0006","11.2383","0.0007","14.4759","0.0009","84.92","0.002","84.334","0.002","76.057","0.002","1527.87","0.16","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H26 F6 N6 O6 S2 Zn -","- C24 H26 F6 N6 O6 S2 Zn -","- C48 H52 F12 N12 O12 S4 Zn2 -","2","1","","Anju, Balakrishnan S.; Nair, Neeraja R.; Rajput, Janavi; Bertke, Jeffery A.; Mondal, Bhaskar; Kundu, Subrata","Role of ancillary ligands in <i>S</i>-nitrosothiol and NO generation from nitrite-thiol interactions at mononuclear zinc(ii) sites.","Chemical science","2024","15","43","18000","18007","10.1039/d4sc04853a","","","0.71073","MoKα","","0.0533","0.0326","","","0.0684","0.0767","","","","","","1.019","","","","has coordinates","296381","2024-12-06","16:35:06",""
"1572753","7.9977","0.0005","24.6887","0.0016","13.6159","0.0009","90","","93.213","0.002","90","","2684.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Cl N9 O6 Zn -","- C22 H32 Cl N9 O6 Zn -","- C88 H128 Cl4 N36 O24 Zn4 -","4","1","","Anju, Balakrishnan S.; Nair, Neeraja R.; Rajput, Janavi; Bertke, Jeffery A.; Mondal, Bhaskar; Kundu, Subrata","Role of ancillary ligands in <i>S</i>-nitrosothiol and NO generation from nitrite-thiol interactions at mononuclear zinc(ii) sites.","Chemical science","2024","15","43","18000","18007","10.1039/d4sc04853a","","","0.71073","MoKα","","0.0434","0.0336","","","0.082","0.0858","","","","","","1.031","","","","has coordinates","296381","2024-12-06","16:35:06",""
"1572754","11.9275","0.001","14.57","0.0012","20.8368","0.0017","90","","104.442","0.003","90","","3506.7","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H41 Cl2 N6 O9 P Zn -","- C28 H41 Cl2 N6 O9 P Zn -","- C112 H164 Cl8 N24 O36 P4 Zn4 -","4","1","","Anju, Balakrishnan S.; Nair, Neeraja R.; Rajput, Janavi; Bertke, Jeffery A.; Mondal, Bhaskar; Kundu, Subrata","Role of ancillary ligands in <i>S</i>-nitrosothiol and NO generation from nitrite-thiol interactions at mononuclear zinc(ii) sites.","Chemical science","2024","15","43","18000","18007","10.1039/d4sc04853a","","","0.71073","MoKα","","0.0863","0.0461","","","0.0971","0.1117","","","","","","1.026","","","","has coordinates,has disorder","296381","2024-12-06","16:35:06",""
"1572755","32.352","0.006","11.149","0.002","23.519","0.007","90","","128.178","0.005","90","","6669","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H67 Cl3 N14 O13 Zn2 -","- C64 H67 Cl3 N14 O13 Zn2 -","- C256 H268 Cl12 N56 O52 Zn8 -","4","0.5","","Anju, Balakrishnan S.; Nair, Neeraja R.; Rajput, Janavi; Bertke, Jeffery A.; Mondal, Bhaskar; Kundu, Subrata","Role of ancillary ligands in <i>S</i>-nitrosothiol and NO generation from nitrite-thiol interactions at mononuclear zinc(ii) sites.","Chemical science","2024","15","43","18000","18007","10.1039/d4sc04853a","","","0.71073","MoKα","","0.1492","0.0605","","","0.1366","0.1799","","","","","","1.01","","","","has coordinates,has disorder","296381","2024-12-06","16:35:06",""
"1572756","14.0967","0.0009","11.9311","0.0008","14.7941","0.0009","90","","90","","90","","2488.2","0.3","150","2","150","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C22 H26 Cl N7 O6 Zn -","- C22 H26 Cl N7 O6 Zn -","- C88 H104 Cl4 N28 O24 Zn4 -","4","0.5","","Anju, Balakrishnan S.; Nair, Neeraja R.; Rajput, Janavi; Bertke, Jeffery A.; Mondal, Bhaskar; Kundu, Subrata","Role of ancillary ligands in <i>S</i>-nitrosothiol and NO generation from nitrite-thiol interactions at mononuclear zinc(ii) sites.","Chemical science","2024","15","43","18000","18007","10.1039/d4sc04853a","","","0.71073","MoKα","","0.0408","0.0304","","","0.0781","0.0846","","","","","","1.025","","","","has coordinates","296381","2024-12-06","16:35:06",""
"1572757","8.5047","0.0013","21.305","0.004","20.512","0.003","90","","92.188","0.005","90","","3713.9","1.1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H47 Cl2 N8 O9 P Zn -","- C28 H47 Cl2 N8 O9 P Zn -","- C112 H188 Cl8 N32 O36 P4 Zn4 -","4","1","","Anju, Balakrishnan S.; Nair, Neeraja R.; Rajput, Janavi; Bertke, Jeffery A.; Mondal, Bhaskar; Kundu, Subrata","Role of ancillary ligands in <i>S</i>-nitrosothiol and NO generation from nitrite-thiol interactions at mononuclear zinc(ii) sites.","Chemical science","2024","15","43","18000","18007","10.1039/d4sc04853a","","","0.71073","MoKα","","0.0786","0.0507","","","0.1221","0.1367","","","","","","1.032","","","","has coordinates,has disorder","296381","2024-12-06","16:35:06",""
"1572758","9.554","0.003","12.332","0.003","16.893","0.004","109.731","0.007","90.608","0.008","91.289","0.008","1872.7","0.9","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H30 F6 N6 O6 S2 Zn -","- C32 H30 F6 N6 O6 S2 Zn -","- C64 H60 F12 N12 O12 S4 Zn2 -","2","1","","Anju, Balakrishnan S.; Nair, Neeraja R.; Rajput, Janavi; Bertke, Jeffery A.; Mondal, Bhaskar; Kundu, Subrata","Role of ancillary ligands in <i>S</i>-nitrosothiol and NO generation from nitrite-thiol interactions at mononuclear zinc(ii) sites.","Chemical science","2024","15","43","18000","18007","10.1039/d4sc04853a","","","0.71073","MoKα","","0.0755","0.0426","","","0.0995","0.1128","","","","","","1.017","","","","has coordinates,has disorder","296381","2024-12-06","16:35:06",""
"1572759","19.739","0.003","8.1896","0.0012","23.969","0.004","90","","111.897","0.005","90","","3595.2","1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Cl N7 O6 Zn -","- C30 H30 Cl N7 O6 Zn -","- C120 H120 Cl4 N28 O24 Zn4 -","4","1","","Anju, Balakrishnan S.; Nair, Neeraja R.; Rajput, Janavi; Bertke, Jeffery A.; Mondal, Bhaskar; Kundu, Subrata","Role of ancillary ligands in <i>S</i>-nitrosothiol and NO generation from nitrite-thiol interactions at mononuclear zinc(ii) sites.","Chemical science","2024","15","43","18000","18007","10.1039/d4sc04853a","","","0.71073","MoKα","","0.1239","0.0637","","","0.1529","0.1755","","","","","","1.045","","","","has coordinates,has disorder","296381","2024-12-06","16:35:06",""
"1572760","18.1198","0.0016","16.7592","0.0014","20.9767","0.0019","90","","90","","90","","6370.1","1","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H35 Cl2 N9 O8 Zn -","- C24 H35 Cl2 N9 O8 Zn -","- C192 H280 Cl16 N72 O64 Zn8 -","8","1","","Anju, Balakrishnan S.; Nair, Neeraja R.; Rajput, Janavi; Bertke, Jeffery A.; Mondal, Bhaskar; Kundu, Subrata","Role of ancillary ligands in <i>S</i>-nitrosothiol and NO generation from nitrite-thiol interactions at mononuclear zinc(ii) sites.","Chemical science","2024","15","43","18000","18007","10.1039/d4sc04853a","","","0.71073","MoKα","","0.1002","0.0695","","","0.1398","0.1539","","","","","","1.145","","","","has coordinates,has disorder","296381","2024-12-06","16:35:07",""
"1572761","13.982","0.003","12.019","0.002","23.87","0.005","90","","97.56","0.03","90","","3976.5","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49.5 H37 Cl N8 -","- C49 H36 N8 -","- C196 H144 N32 -","4","1","","Fracassa, Alessandro; Calogero, Francesco; Pavan, Giulio; Nikolaou, Pavlos; Fermi, Andrea; Ceroni, Paola; Paolucci, Francesco; Cozzi, Pier Giorgio; Scattolin, Thomas; Demitri, Nicola; Negri, Fabrizia; Gualandi, Andrea; Aliprandi, Alessandro; Valenti, Giovanni","Tunable electrochemiluminescence of TADF luminophores: manipulating efficiency and unveiling water-soluble emitters.","Chemical science","2024","15","43","17892","17899","10.1039/d4sc04986a","","","0.62","Synchrotron","","0.054","0.0497","","","0.1385","0.1428","","","","","","1.018","","","","has coordinates,has disorder","296380","2024-12-06","16:34:15",""
"1572762","7.9195","0.0006","11.7007","0.0011","14.6519","0.0015","90","","98.998","0.008","90","","1341","0.2","100","","100","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C27 H32.82 N6 O9 Sc -","- C27 H32.818 N6 O9 Sc -","- C54 H65.636 N12 O18 Sc2 -","2","1","","Kelderman, Cormac A. A.; Glaser, Owen M.; Whetter, Jennifer N.; Aluicio-Sarduy, Eduardo; Mixdorf, Jason C.; Sanders, Kyana M.; Guzei, Ilia A.; Barnhart, Todd E.; Engle, Jonathan W.; Boros, Eszter","Charting the coordinative landscape of the <sup>18</sup>F-Sc/<sup>44</sup>Sc/<sup>177</sup>Lu triad with the tri-aza-cyclononane (tacn) scaffold.","Chemical science","2024","15","43","17927","17936","10.1039/d4sc04735d","","x-ray","1.54178","CuKα","K-L~3~","0.0473","0.0441","","","0.1105","0.113","","","","","","1.063","","","","has coordinates,has disorder","296373","2024-12-06","16:31:05",""
"1572763","8.5963","0.0005","14.7551","0.0008","13.323","0.0007","90","","94.308","0.002","90","","1685.11","0.16","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H24 B2 Cl2 -","- C16 H24 B2 Cl2 -","- C64 H96 B8 Cl8 -","4","2","","Zhang, Chonghe; Gilliard, Jr, Robert J; Cummins, Christopher C.","Arene extrusion as an approach to reductive elimination at boron: implication of carbene-ligated haloborylene as a transient reactive intermediate.","Chemical science","2024","15","43","17873","17880","10.1039/d4sc05524a","","","0.71073","MoKα","","0.0675","0.0545","","","0.1415","0.1558","","","","","","1.082","","","","has coordinates","296370","2024-12-06","16:30:14",""
"1572764","11.6102","0.0004","20.6129","0.0008","16.4977","0.0005","90","","95.399","0.001","90","","3930.7","0.2","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H70 B Cl N2 -","- C44 H70 B Cl N2 -","- C176 H280 B4 Cl4 N8 -","4","1","","Zhang, Chonghe; Gilliard, Jr, Robert J; Cummins, Christopher C.","Arene extrusion as an approach to reductive elimination at boron: implication of carbene-ligated haloborylene as a transient reactive intermediate.","Chemical science","2024","15","43","17873","17880","10.1039/d4sc05524a","","","0.71073","MoKα","","0.0478","0.0371","","","0.1012","0.1047","","","","","","1.07","","","","has coordinates","296370","2024-12-06","16:30:14",""
"1572765","8.7428","0.0007","9.4037","0.0008","13.3258","0.0011","80.686","0.003","87.975","0.003","80.672","0.003","1066.79","0.15","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H35 B Br N -","- C23 H35 B Br N -","- C46 H70 B2 Br2 N2 -","2","1","","Zhang, Chonghe; Gilliard, Jr, Robert J; Cummins, Christopher C.","Arene extrusion as an approach to reductive elimination at boron: implication of carbene-ligated haloborylene as a transient reactive intermediate.","Chemical science","2024","15","43","17873","17880","10.1039/d4sc05524a","","","0.71073","MoKα","","0.0283","0.0242","","","0.0646","0.066","","","","","","1.073","","","","has coordinates","296370","2024-12-06","16:30:14",""
"1572766","9.2417","0.0005","10.0889","0.0006","11.8541","0.0008","90","","110.192","0.003","90","","1037.33","0.11","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H36 B Cl N -","- C22 H36 B Cl N -","- C44 H72 B2 Cl2 N2 -","2","1","","Zhang, Chonghe; Gilliard, Jr, Robert J; Cummins, Christopher C.","Arene extrusion as an approach to reductive elimination at boron: implication of carbene-ligated haloborylene as a transient reactive intermediate.","Chemical science","2024","15","43","17873","17880","10.1039/d4sc05524a","","","0.71073","MoKα","","0.0533","0.0482","","","0.1274","0.1303","","","","","","1.053","","","","has coordinates","296370","2024-12-06","16:30:15",""
"1572767","8.7528","0.0003","10.9747","0.0003","15.4186","0.0006","90","","91.674","0.002","90","","1480.47","0.09","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 B -","- C18 H23 B -","- C72 H92 B4 -","4","1","","Zhang, Chonghe; Gilliard, Jr, Robert J; Cummins, Christopher C.","Arene extrusion as an approach to reductive elimination at boron: implication of carbene-ligated haloborylene as a transient reactive intermediate.","Chemical science","2024","15","43","17873","17880","10.1039/d4sc05524a","","","0.71073","MoKα","","0.0663","0.0611","","","0.1507","0.1565","","","","","","1.066","","","","has coordinates","296370","2024-12-06","16:30:15",""
"1572768","14.0779","0.0006","12.7663","0.0006","20.0966","0.001","90","","91.539","0.002","90","","3610.5","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H55 B Br Cl2 N -","- C36 H55 B Br Cl2 N -","- C144 H220 B4 Br4 Cl8 N4 -","4","1","","Zhang, Chonghe; Gilliard, Jr, Robert J; Cummins, Christopher C.","Arene extrusion as an approach to reductive elimination at boron: implication of carbene-ligated haloborylene as a transient reactive intermediate.","Chemical science","2024","15","43","17873","17880","10.1039/d4sc05524a","","","0.71073","MoKα","","0.0669","0.0617","","","0.2129","0.2197","","","","","","1.072","","","","has coordinates","296370","2024-12-06","16:30:15",""
"1572769","10.81","0.011","12.282","0.008","23.47","0.03","90","","93.75","0.05","90","","3109","5","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H53 B Br N -","- C35 H53 B Br N -","- C140 H212 B4 Br4 N4 -","4","1","","Zhang, Chonghe; Gilliard, Jr, Robert J; Cummins, Christopher C.","Arene extrusion as an approach to reductive elimination at boron: implication of carbene-ligated haloborylene as a transient reactive intermediate.","Chemical science","2024","15","43","17873","17880","10.1039/d4sc05524a","","","0.71073","MoKα","","0.0345","0.0289","","","0.08","0.0822","","","","","","1.1","","","","has coordinates","296370","2024-12-06","16:30:15",""
"1572770","11.7206","0.0008","12.0045","0.0008","15.0853","0.001","108.946","0.003","93.723","0.002","95.092","0.003","1989.7","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H48 B Cl7 N2 -","- C36 H48 B Cl7 N2 -","- C72 H96 B2 Cl14 N4 -","2","1","","Zhang, Chonghe; Gilliard, Jr, Robert J; Cummins, Christopher C.","Arene extrusion as an approach to reductive elimination at boron: implication of carbene-ligated haloborylene as a transient reactive intermediate.","Chemical science","2024","15","43","17873","17880","10.1039/d4sc05524a","","","0.71073","MoKα","","0.0462","0.04","","","0.0982","0.1031","","","","","","1.032","","","","has coordinates","296370","2024-12-06","16:30:15",""
"1572771","12.0999","0.001","13.3302","0.001","25.993","0.002","90","","90","","90","","4192.5","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H35 B Cl N -","- C23 H35 B Cl N -","- C184 H280 B8 Cl8 N8 -","8","1","","Zhang, Chonghe; Gilliard, Jr, Robert J; Cummins, Christopher C.","Arene extrusion as an approach to reductive elimination at boron: implication of carbene-ligated haloborylene as a transient reactive intermediate.","Chemical science","2024","15","43","17873","17880","10.1039/d4sc05524a","","","0.71073","MoKα","","0.0355","0.0327","","","0.0897","0.0924","","","","","","1.058","","","","has coordinates","296370","2024-12-06","16:30:15",""
"1572772","12.1571","0.0005","13.5618","0.0007","25.839","0.0013","90","","90","","90","","4260.1","0.4","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H35 B Br N -","- C23 H35 B Br N -","- C184 H280 B8 Br8 N8 -","8","1","","Zhang, Chonghe; Gilliard, Jr, Robert J; Cummins, Christopher C.","Arene extrusion as an approach to reductive elimination at boron: implication of carbene-ligated haloborylene as a transient reactive intermediate.","Chemical science","2024","15","43","17873","17880","10.1039/d4sc05524a","","","0.71073","MoKα","","0.0435","0.0421","","","0.1","0.1006","","","","","","1.093","","","","has coordinates,has disorder","296370","2024-12-06","16:30:15",""
"1572773","23.3813","0.0011","8.8522","0.0004","18.8122","0.0009","90","","111.915","0.005","90","","3612.3","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H72 N8 O16 Zn3 -","- C78 H72 N8 O16 Zn3 -","- C156 H144 N16 O32 Zn6 -","2","0.5","","Logelin, Madison E.; Schreiber, Eric; Mercado, Brandon Q.; Burke, Michael J.; Davis, Caitlin M.; Bartholomew, Amymarie K.","Exfoliation of a metal-organic framework enabled by post-synthetic cleavage of a dipyridyl dianthracene ligand.","Chemical science","2024","15","37","15198","15204","10.1039/d4sc03524k","","x-ray","1.54184","CuKα","","0.1297","0.0788","","","0.1936","0.223","","","","","","1.03","","","","has coordinates","295041","2024-10-04","09:43:26",""
"1572774","16.9","0.5","9.5","0.2","18.2","0.3","90","","94.7","0.3","90","","2912","12","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H44 N4 O12 Zn3 -","- C66 H44 N4 O12 Zn3 -","- C132 H88 N8 O24 Zn6 -","2","0.5","","Logelin, Madison E.; Schreiber, Eric; Mercado, Brandon Q.; Burke, Michael J.; Davis, Caitlin M.; Bartholomew, Amymarie K.","Exfoliation of a metal-organic framework enabled by post-synthetic cleavage of a dipyridyl dianthracene ligand.","Chemical science","2024","15","37","15198","15204","10.1039/d4sc03524k","","electron","0.0251","electron","","0.2839","0.2263","","","0.5061","0.5386","","","","","","1.011","","","","has coordinates","295041","2024-10-04","09:43:28",""
"1572775","11.0839","0.0013","13.719","0.002","15.383","0.003","106.314","0.005","104.337","0.004","105.219","0.003","2031.6","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H37 B Cl3 F2 N9 O2 -","- C45 H37 B Cl3 F2 N9 O2 -","- C90 H74 B2 Cl6 F4 N18 O4 -","2","1","","Pim, Sebastian; Bourgès, Anaïs C; Wu, Dan; Durán-Sampedro, Gonzalo; Garre, Massimiliano; O'Shea, Donal F","Observing bioorthogonal macrocyclizations in the nuclear envelope of live cells using on/on fluorescence lifetime microscopy.","Chemical science","2024","15","36","14913","14923","10.1039/d4sc03489a","","x-ray","0.71073","MoKα","","0.056","0.0433","","","0.1079","0.115","","","","","","1.029","","","","has coordinates,has disorder","295042","2024-10-04","09:47:17",""
"1572776","9.9175","0.0014","17.323","0.003","10.7669","0.0015","90","","115.609","0.002","90","","1668.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Br2 N O2 -","- C16 H13 Br2 N O2 -","- C64 H52 Br8 N4 O8 -","4","1","","Rodriguez Treviño, Agustin M; Loch-Temzelides, Pierre; Pandiri, Sanjay; Kirkland, Justin K.; Davenport, Michael T.; Aguinaga, Ulises; Yousufuddin, Muhammed; Ess, Daniel H.; Kürti, László","Forging structural complexity: diastereoselective synthesis of densely substituted β-lactams with dual functional handles for enhanced core modifications.","Chemical science","2024","15","36","14668","14676","10.1039/d4sc01513d","","","0.71073","MoKα","","0.0852","0.0442","","","0.1051","0.1234","","","","","","1.017","","","","has coordinates","295043","2024-10-04","09:48:21",""
"1572777","9.915","0.003","17.251","0.006","10.682","0.003","90","","115.375","0.005","90","","1650.8","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Br Cl N O2 -","- C16 H13 Br Cl N O2 -","- C64 H52 Br4 Cl4 N4 O8 -","4","1","","Rodriguez Treviño, Agustin M; Loch-Temzelides, Pierre; Pandiri, Sanjay; Kirkland, Justin K.; Davenport, Michael T.; Aguinaga, Ulises; Yousufuddin, Muhammed; Ess, Daniel H.; Kürti, László","Forging structural complexity: diastereoselective synthesis of densely substituted β-lactams with dual functional handles for enhanced core modifications.","Chemical science","2024","15","36","14668","14676","10.1039/d4sc01513d","","","0.71073","MoKα","","0.0992","0.0476","","","0.1286","0.1519","","","","","","1.017","","","","has coordinates","295043","2024-10-04","09:48:24",""
"1572778","5.611","0.0006","7.1772","0.0008","25.602","0.003","90","","90","","90","","1031","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 Br N O2 -","- C10 H10 Br N O2 -","- C40 H40 Br4 N4 O8 -","4","1","","Rodriguez Treviño, Agustin M; Loch-Temzelides, Pierre; Pandiri, Sanjay; Kirkland, Justin K.; Davenport, Michael T.; Aguinaga, Ulises; Yousufuddin, Muhammed; Ess, Daniel H.; Kürti, László","Forging structural complexity: diastereoselective synthesis of densely substituted β-lactams with dual functional handles for enhanced core modifications.","Chemical science","2024","15","36","14668","14676","10.1039/d4sc01513d","","","0.71073","MoKα","","0.0547","0.036","","","0.0807","0.0873","","","","","","1.013","","","","has coordinates","295043","2024-10-04","09:48:33",""
"1572779","10.8087","0.0008","11.2182","0.0008","11.3752","0.0008","61.101","0.002","89.292","0.003","66.734","0.002","1081.66","0.14","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H29 Cl2 N2 O P -","- C20 H29 Cl2 N2 O P -","- C40 H58 Cl4 N4 O2 P2 -","2","1","","Nguyen, Thi Hong Van; Chelli, Saloua; Mallet-Ladeira, Sonia; Breugst, Martin; Lakhdar, Sami","Reactivity of the phosphaethynolate anion with stabilized carbocations: mechanistic studies and synthetic applications.","Chemical science","2024","15","35","14406","14414","10.1039/d4sc03518f","","","0.71073","MoKα","","0.0673","0.0594","","","0.1698","0.1743","","","","","","1.115","","","","has coordinates","295044","2024-10-04","09:49:54",""
"1572780","18.3122","0.0008","5.9341","0.0002","22.4465","0.0011","90","","97.4662","0.0018","90","","2418.5","0.18","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 O P -","- C14 H15 O P -","- C112 H120 O8 P8 -","8","1","","Nguyen, Thi Hong Van; Chelli, Saloua; Mallet-Ladeira, Sonia; Breugst, Martin; Lakhdar, Sami","Reactivity of the phosphaethynolate anion with stabilized carbocations: mechanistic studies and synthetic applications.","Chemical science","2024","15","35","14406","14414","10.1039/d4sc03518f","","","0.71073","MoKα","","0.0463","0.0445","","","0.1009","0.1019","","","","","","1.133","","","","has coordinates,has disorder","295044","2024-10-04","09:49:56",""
"1572781","6.8013","0.0013","13.832","0.003","20.961","0.004","102.003","0.005","99.318","0.006","98.164","0.007","1871.6","0.7","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H45 O7 P -","- C45 H45 O7 P -","- C90 H90 O14 P2 -","2","1","","Nguyen, Thi Hong Van; Chelli, Saloua; Mallet-Ladeira, Sonia; Breugst, Martin; Lakhdar, Sami","Reactivity of the phosphaethynolate anion with stabilized carbocations: mechanistic studies and synthetic applications.","Chemical science","2024","15","35","14406","14414","10.1039/d4sc03518f","","","0.71073","MoKα","","0.19","0.097","","","0.2388","0.3356","","","","","","1.021","","","","has coordinates,has disorder","295044","2024-10-04","09:49:56",""
"1572782","29.1614","0.0016","29.1614","0.0016","29.1614","0.0016","90","","90","","90","","24798","2","173","","173","","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","","","- C78 H111 N O12 P6 Pt3 -","- C78 H111 N O12 P6 Pt3 -","- C624 H888 N8 O96 P48 Pt24 -","8","0.333333","","Liu, Haifei; Guo, Chenxing; Huang, Yujuan; Zhou, Zilin; Jian, Shijin; Zhang, Zeyuan; Hou, Yali; Mu, Chaoqun; Zhang, Mingming","Fusion of two homoleptic truncated tetrahedra into a heteroleptic truncated octahedron.","Chemical science","2024","15","35","14352","14357","10.1039/d4sc02736a","","x-ray","1.34139","GaKα","","0.0476","0.0417","","","0.1154","0.1192","","","","","","1.064","","","","has coordinates,has disorder","295045","2024-10-04","09:51:51",""
"1572783","59.444","0.006","59.444","0.006","167.23","0.03","90","","90","","120","","511754","12","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C744 N28 O48 P48 Pt24 -","- C744 N28 O48 P48 Pt24 -","- C8928 N336 O576 P576 Pt288 -","12","0.666667","","Liu, Haifei; Guo, Chenxing; Huang, Yujuan; Zhou, Zilin; Jian, Shijin; Zhang, Zeyuan; Hou, Yali; Mu, Chaoqun; Zhang, Mingming","Fusion of two homoleptic truncated tetrahedra into a heteroleptic truncated octahedron.","Chemical science","2024","15","35","14352","14357","10.1039/d4sc02736a","","x-ray","1.54178","CuKα","","0.3397","0.157","","","0.3446","0.3856","","","","","","1.608","","","","has coordinates","295045","2024-10-04","09:51:52",""
"1572784","9.8076","0.0002","16.1235","0.0003","22.4399","0.0004","90","","90","","90","","3548.49","0.12","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H54 N6 O10 S -","- C30 H54 N6 O10 S -","- C120 H216 N24 O40 S4 -","4","1","","Sun, Jinming; Tian, Zi-You; Liu, Jianbo; Wan, Chuan; Dai, Chuan; Liu, Zhihong; Xing, Yun; Wu, Yujie; Hou, Zhanfeng; Han, Wei; Yin, Feng; Ye, Yuxin; Li, Zigang","Intramolecular CH⋯π attraction mediated conformational polymorphism of constrained helical peptides.","Chemical science","2024","15","35","14264","14272","10.1039/d4sc02545h","","x-ray","1.54184","CuKα","","0.0551","0.0522","","","0.1399","0.1419","","","","","","1.035","","","","has coordinates","295046","2024-10-04","09:52:47",""
"1572785","9.6433","0.0001","16.0251","0.0002","22.6439","0.0003","90","","90","","90","","3499.27","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H52 N6 O10 S -","- C29 H52 N6 O10 S -","- C116 H208 N24 O40 S4 -","4","1","","Sun, Jinming; Tian, Zi-You; Liu, Jianbo; Wan, Chuan; Dai, Chuan; Liu, Zhihong; Xing, Yun; Wu, Yujie; Hou, Zhanfeng; Han, Wei; Yin, Feng; Ye, Yuxin; Li, Zigang","Intramolecular CH⋯π attraction mediated conformational polymorphism of constrained helical peptides.","Chemical science","2024","15","35","14264","14272","10.1039/d4sc02545h","","x-ray","1.54184","CuKα","","0.0412","0.0394","","","0.1031","0.1043","","","","","","1.033","","","","has coordinates","295046","2024-10-04","09:52:48",""
"1572786","10.4739","0.0001","10.4739","0.0001","61.7275","0.0008","90","","90","","90","","6771.67","0.13","100.15","","100.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C30 H46 N6 O6 S -","- C30 H46 N6 O6 S -","- C240 H368 N48 O48 S8 -","8","1","","Sun, Jinming; Tian, Zi-You; Liu, Jianbo; Wan, Chuan; Dai, Chuan; Liu, Zhihong; Xing, Yun; Wu, Yujie; Hou, Zhanfeng; Han, Wei; Yin, Feng; Ye, Yuxin; Li, Zigang","Intramolecular CH⋯π attraction mediated conformational polymorphism of constrained helical peptides.","Chemical science","2024","15","35","14264","14272","10.1039/d4sc02545h","","","1.54184","CuKα","","0.0529","0.0457","","","0.1073","0.1105","","","","","","1.042","","","","has coordinates,has disorder","295046","2024-10-04","09:52:48",""
"1572787","10.30099","0.00006","10.30099","0.00006","63.8033","0.0006","90","","90","","90","","6770.19","0.08","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C30 H47 N5 O8 S -","- C30 H48 N6 O7 S -","- C240 H384 N48 O56 S8 -","8","1","","Sun, Jinming; Tian, Zi-You; Liu, Jianbo; Wan, Chuan; Dai, Chuan; Liu, Zhihong; Xing, Yun; Wu, Yujie; Hou, Zhanfeng; Han, Wei; Yin, Feng; Ye, Yuxin; Li, Zigang","Intramolecular CH⋯π attraction mediated conformational polymorphism of constrained helical peptides.","Chemical science","2024","15","35","14264","14272","10.1039/d4sc02545h","","","1.54184","CuKα","","0.0379","0.0367","","","0.0972","0.098","","","","","","1.067","","","","has coordinates","295046","2024-10-04","09:52:48",""
"1572788","8.5539","0.0005","15.9444","0.001","11.4097","0.0006","90","","90","","90","","1556.13","0.16","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C21 H17 Ti -","- C21 H17 Ti -","- C84 H68 Ti4 -","4","0.5","","Wisbeck, Sarita; Sorrentino, Andrea Luigi; Santana, Francielli S.; de Camargo, Luana C.; Ribeiro, Ronny R.; Salvadori, Enrico; Chiesa, Mario; Giaconi, Niccolò; Caneschi, Andrea; Mannini, Matteo; Poggini, Lorenzo; Briganti, Matteo; Serrano, Giulia; Soares, Jaísa F; Sessoli, Roberta","(η<sup>8</sup>-Cyclooctatetraene)(η<sup>5</sup>-fluorenyl)titanium: a processable molecular spin qubit with optimized control of the molecule-substrate interface.","Chemical science","2024","15","35","14390","14398","10.1039/d4sc03290j","","","0.71073","MoKα","","0.0511","0.039","","","0.0933","0.1008","","","","","","1.073","","","","has coordinates","295047","2024-10-04","09:53:44",""
"1572789","8.3693","0.0005","15.9237","0.0008","11.3545","0.0006","90","","90","","90","","1513.22","0.14","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C21 H17 Ti -","- C21 H17 Ti -","- C84 H68 Ti4 -","4","0.5","","Wisbeck, Sarita; Sorrentino, Andrea Luigi; Santana, Francielli S.; de Camargo, Luana C.; Ribeiro, Ronny R.; Salvadori, Enrico; Chiesa, Mario; Giaconi, Niccolò; Caneschi, Andrea; Mannini, Matteo; Poggini, Lorenzo; Briganti, Matteo; Serrano, Giulia; Soares, Jaísa F; Sessoli, Roberta","(η<sup>8</sup>-Cyclooctatetraene)(η<sup>5</sup>-fluorenyl)titanium: a processable molecular spin qubit with optimized control of the molecule-substrate interface.","Chemical science","2024","15","35","14390","14398","10.1039/d4sc03290j","","","0.71073","MoKα","","0.032","0.0294","","","0.0701","0.0713","","","","","","1.048","","","","has coordinates","295047","2024-10-04","09:53:46",""
"1572790","20.0971","0.0002","24.3131","0.0002","56.2506","0.0005","90","","90.019","0.001","90","","27485.3","0.4","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C73.67 H61.33 Cl2.67 N7.67 O3.33 S3.33 -","- C75 H61.3333 Cl4 N9 O2 S2 -","- C900 H736 Cl48 N108 O24 S24 -","12","1.5","","Wei, Wenkui; Yuan, Xiyue; Zhong, Jianbin; Wang, Zhiqiang; Zhou, Xia; Zhao, Feixiang; Feng, Dinglong; Zhang, Yue; Chen, Weidi; Yang, Mingqun; Zhang, Wei; Ma, Zaifei; Tang, Zheng; Lu, Xinhui; Huang, Fei; Cao, Yong; Duan, Chunhui","High-efficiency organic solar cells from low-cost pentacyclic fused-ring electron acceptors via crystal engineering","Energy & Environmental Science","2024","17","18","6627","6639","10.1039/D4EE02296C","","","1.54184","CuKα","","0.1299","0.1067","","","0.3237","0.3578","","","","","","1.482","","","","has coordinates","295058","2024-10-04","19:59:13",""
"1572791","14.9787","0.0007","15.6453","0.0007","15.6646","0.0011","85.291","0.004","68.991","0.005","81.688","0.004","3389.1","0.3","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C76 H78 F4 N9 O2 S2 -","- C76 H78 F4 N9 O2 S2 -","- C152 H156 F8 N18 O4 S4 -","2","1","","Wei, Wenkui; Yuan, Xiyue; Zhong, Jianbin; Wang, Zhiqiang; Zhou, Xia; Zhao, Feixiang; Feng, Dinglong; Zhang, Yue; Chen, Weidi; Yang, Mingqun; Zhang, Wei; Ma, Zaifei; Tang, Zheng; Lu, Xinhui; Huang, Fei; Cao, Yong; Duan, Chunhui","High-efficiency organic solar cells from low-cost pentacyclic fused-ring electron acceptors via crystal engineering","Energy & Environmental Science","2024","17","18","6627","6639","10.1039/D4EE02296C","","x-ray","1.54184","CuKα","","0.2217","0.1982","","","0.6373","0.6754","","","","","","1.103","","","","has coordinates","295058","2024-10-04","19:59:20",""
"1572792","24.291","0.0009","23.969","0.002","33.86","0.0012","90","","107.264","0.004","90","","18826.2","1.9","170","0.1","170","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C81 H78 Cl4 F2 N6 O2 S4 -","- C81 H78 Cl4 F2 N6 O2 S4 -","- C648 H624 Cl32 F16 N48 O16 S32 -","8","1","","Gong, Yufei; Zou, Tianwei; Li, Xiaojun; Qin, Shucheng; Sun, Guangpei; Liang, TongLing; Zhou, Ruimin; Zhang, Jianqi; Zhang, Jinyuan; Meng, Lei; Wei, Zhixiang; Li, Yongfang","C-shaped ortho-benzodipyrrole-based acceptors with different electronic effects of top substituents for as-cast green-solvent processed high-performance organic solar cells","Energy & Environmental Science","2024","17","18","6844","6855","10.1039/D4EE02467B","","x-ray","1.54184","CuKα","","0.2216","0.129","","","0.236","0.271","","","","","","1.07","","","","has coordinates","295059","2024-10-04","20:00:14",""
"1572793","24.4208","0.0012","23.6514","0.0017","33.9562","0.0015","90","","107.33","0.005","90","","18722.3","1.9","169.99","0.1","169.99","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H88 Cl4 F N6 O2 S4 -","- C84 H88 Cl4 F N6 O2 S4 -","- C672 H704 Cl32 F8 N48 O16 S32 -","8","1","","Gong, Yufei; Zou, Tianwei; Li, Xiaojun; Qin, Shucheng; Sun, Guangpei; Liang, TongLing; Zhou, Ruimin; Zhang, Jianqi; Zhang, Jinyuan; Meng, Lei; Wei, Zhixiang; Li, Yongfang","C-shaped ortho-benzodipyrrole-based acceptors with different electronic effects of top substituents for as-cast green-solvent processed high-performance organic solar cells","Energy & Environmental Science","2024","17","18","6844","6855","10.1039/D4EE02467B","","x-ray","1.54184","CuKα","","0.2094","0.1256","","","0.2311","0.2651","","","","","","1.043","","","","has coordinates","295059","2024-10-04","20:00:16",""
"1572794","24.5282","0.0011","23.803","0.0018","34.0641","0.0012","90","","107.624","0.004","90","","18954.7","1.8","170","0.1","170","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C87 H97 Cl7 N6 O2 S4 -","- C87 H97 Cl7 N6 O2 S4 -","- C696 H776 Cl56 N48 O16 S32 -","8","1","","Gong, Yufei; Zou, Tianwei; Li, Xiaojun; Qin, Shucheng; Sun, Guangpei; Liang, TongLing; Zhou, Ruimin; Zhang, Jianqi; Zhang, Jinyuan; Meng, Lei; Wei, Zhixiang; Li, Yongfang","C-shaped ortho-benzodipyrrole-based acceptors with different electronic effects of top substituents for as-cast green-solvent processed high-performance organic solar cells","Energy & Environmental Science","2024","17","18","6844","6855","10.1039/D4EE02467B","","x-ray","1.54184","CuKα","","0.2182","0.1353","","","0.2738","0.3096","","","","","","1.027","","","","has coordinates,has disorder","295059","2024-10-04","20:00:17",""
"1572795","19.7252","0.001","19.7252","0.001","23.5747","0.0011","90","","90","","120","","7943.6","0.7","218","13","218","13","","","","","","","","5","P -6 c 2","P -6c 2","188","","","","- C105 H63 Co6 N15 O25 -","- C105 H63 Co6 N15 O25 -","- C210 H126 Co12 N30 O50 -","2","0.166667","","Li, Shu-Yi; Xue, Ying-Ying; Wang, Jia-Wen; Li, Hai-Peng; Lei, Jiao; Lv, Hong-Juan; Bu, Xianhui; Zhang, Peng; Wang, Ying; Yuan, Wen-Yu; Zhai, Quan-Guo","Metal-organic frameworks with two different-sized aromatic ring-confined nanotraps for benchmark natural gas upgrade.","Chemical science","2024","15","42","17547","17555","10.1039/d4sc04387a","","x-ray","0.71073","MoKα","","0.0955","0.0787","","","0.2238","0.2389","","","","","","1.066","","","","has coordinates","296394","2024-12-06","16:42:51",""
"1572796","19.8699","0.0004","19.8699","0.0004","23.3404","0.0007","90","","90","","120","","7980.5","0.3","293","2","293","2","","","","","","","","5","P -6 c 2","P -6c 2","188","","","","- C102 H60 Co6 N18 O25 -","- C102 H60 Co6 N18 O25 -","- C204 H120 Co12 N36 O50 -","2","0.166667","","Li, Shu-Yi; Xue, Ying-Ying; Wang, Jia-Wen; Li, Hai-Peng; Lei, Jiao; Lv, Hong-Juan; Bu, Xianhui; Zhang, Peng; Wang, Ying; Yuan, Wen-Yu; Zhai, Quan-Guo","Metal-organic frameworks with two different-sized aromatic ring-confined nanotraps for benchmark natural gas upgrade.","Chemical science","2024","15","42","17547","17555","10.1039/d4sc04387a","","","0.71073","MoKα","","0.1213","0.0673","","","0.1837","0.2125","","","","","","1.006","","","","has coordinates","296394","2024-12-06","16:42:53",""
"1572797","13.8977","0.0006","16.6183","0.0007","20.3259","0.0008","113.405","0.001","95.369","0.002","91.274","0.002","4280.2","0.3","170","","170","","","","","","","","","4","P -1","-P 1","2","","DB-SF1","","- C86 H59 B2 N3 -","- C86 H59 B2 N3 -","- C172 H118 B4 N6 -","2","1","","Xu, Ke; Li, Nengquan; Ye, Zeyuan; Guo, Yuxi; Wu, Yuxin; Gui, Chenghao; Yin, Xiaojun; Miao, Jingsheng; Cao, Xiaosong; Yang, Chuluo","High-performance deep-blue electroluminescence from multi-resonance TADF emitters with a spirofluorene-fused double boron framework.","Chemical science","2024","15","43","18076","18084","10.1039/d4sc04835k","","","1.34139","GaKα","","0.1026","0.0861","","","0.277","0.2896","","","","","","1.04","","","","has coordinates","296378","2024-12-06","16:33:31",""
"1572798","14.1931","0.0011","16.6449","0.0012","17.7614","0.0014","71.081","0.003","69.022","0.004","78.65","0.004","3690.7","0.5","170","","170","","","","","","","","","4","P -1","-P 1","2","","DB-SF2","","- C86 H59 B2 N3 -","- C86 H59 B2 N3 -","- C172 H118 B4 N6 -","2","1","","Xu, Ke; Li, Nengquan; Ye, Zeyuan; Guo, Yuxi; Wu, Yuxin; Gui, Chenghao; Yin, Xiaojun; Miao, Jingsheng; Cao, Xiaosong; Yang, Chuluo","High-performance deep-blue electroluminescence from multi-resonance TADF emitters with a spirofluorene-fused double boron framework.","Chemical science","2024","15","43","18076","18084","10.1039/d4sc04835k","","","1.34139","GaKα","","0.1824","0.1112","","","0.3059","0.3547","","","","","","1.067","","","","has coordinates","296378","2024-12-06","16:33:31",""
"1572799","21.64","0.004","16.954","0.003","6.7999","0.0012","90","","90","","90","","2494.8","0.8","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6.04 H31 B30.96 -","- C6.04 H31 B30.96 -","- C24.16 H124 B123.84 -","4","0.5","","Xiang, Libo; Wang, Junyi; Matler, Alexander; Ye, Qing","Structure-constraint induced increase in Lewis acidity of tris(<i>ortho</i>-carboranyl)borane and selective complexation with Bestmann ylides.","Chemical science","2024","15","43","17944","17949","10.1039/d4sc06144f","","x-ray","0.71073","MoKα","K-L~2,3~","0.0601","0.0504","","","0.14","0.1494","","","","","","1.104","","","","has coordinates,has disorder","296376","2024-12-06","16:32:04",""
"1572800","13.9904","0.0002","17.1121","0.0002","19.3321","0.0002","90","","109.802","0.001","90","","4354.53","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H46 B31 O P -","- C26 H46 B31 O P -","- C104 H184 B124 O4 P4 -","4","1","","Xiang, Libo; Wang, Junyi; Matler, Alexander; Ye, Qing","Structure-constraint induced increase in Lewis acidity of tris(<i>ortho</i>-carboranyl)borane and selective complexation with Bestmann ylides.","Chemical science","2024","15","43","17944","17949","10.1039/d4sc06144f","","x-ray","1.54184","CuKα","K-L~2,3~","0.0401","0.0381","","","0.1018","0.1032","","","","","","1.036","","","","has coordinates","296376","2024-12-06","16:32:06",""
"1572801","10.9967","0.0001","15.5241","0.0002","15.9285","0.0003","69.719","0.001","81.164","0.001","78.446","0.001","2488.44","0.06","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H72 B31 O P -","- C33 H72 B31 O P -","- C66 H144 B62 O2 P2 -","2","1","","Xiang, Libo; Wang, Junyi; Matler, Alexander; Ye, Qing","Structure-constraint induced increase in Lewis acidity of tris(<i>ortho</i>-carboranyl)borane and selective complexation with Bestmann ylides.","Chemical science","2024","15","43","17944","17949","10.1039/d4sc06144f","","","1.54184","CuKα","","0.0722","0.0703","","","0.1808","0.1814","","","","","","1.0242","","","","has coordinates","296376","2024-12-06","16:32:06",""
"1572802","12.196","0.003","12.565","0.003","15.872","0.004","91.154","0.008","106.328","0.009","117.784","0.007","2032.1","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H46 B31 O P -","- C26 H46 B31 O P -","- C52 H92 B62 O2 P2 -","2","1","","Xiang, Libo; Wang, Junyi; Matler, Alexander; Ye, Qing","Structure-constraint induced increase in Lewis acidity of tris(<i>ortho</i>-carboranyl)borane and selective complexation with Bestmann ylides.","Chemical science","2024","15","43","17944","17949","10.1039/d4sc06144f","","x-ray","0.71073","MoKα","K-L~2,3~","0.0562","0.0498","","","0.1258","0.13","","","","","","1.075","","","","has coordinates","296376","2024-12-06","16:32:06",""
"1572803","40.203","0.002","7.4012","0.0004","13.2318","0.0006","90","","96.998","0.004","90","","3907.8","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36.5 H23 Cl N12 O12 -","- C36.5 H23 Cl N12 O12 -","- C146 H92 Cl4 N48 O48 -","4","0.5","","Dobre, Adela F.; Mădălan, Augustin M.; Hanganu, Anamaria; Ionita, Petre","Diazenium Betaines Derived from the Stable Free Radical DPPH with Diradicaloid Behavior","Chemistry","2024","6","5","899","910","10.3390/chemistry6050052","","","0.71073","MoKα","","0.0718","0.0589","","","0.185","0.2005","","","","","","1.044","","","","has coordinates","295353","2024-10-06","12:46:41",""
"1572804","16.4613","0.0004","14.2488","0.0003","20.9984","0.0005","90","","105.736","0.0013","90","","4740.66","0.19","305","2","305","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H34 N4 O12 Zn2 -","- C49 H34 N4 O12 Zn2 -","- C196 H136 N16 O48 Zn8 -","4","0.5","","Cheng, Fang-Ju; Wang, Kai-Min; Lee, Chia-Yi; Wang, Song-Wei; Thapa, Kedar Bahadur; Govindaraj, Manivannan; Chen, Jhy-Der","Influence of Metal Ions on the Structural Complexity of Mixed-Ligand Divalent Coordination Polymers","Chemistry","2024","6","5","1020","1038","10.3390/chemistry6050059","","","0.71073","MoKα","","0.0635","0.0602","","","0.1417","0.1429","","","","","","1.01","","","","has coordinates","295354","2024-10-06","12:47:44",""
"1572805","10.8657","0.0004","16.0134","0.0005","19.2892","0.0007","90","","90","","90","","3356.3","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 Cu N4 O11 -","- C36 H32 Cu N4 O11 -","- C144 H128 Cu4 N16 O44 -","4","1","","Cheng, Fang-Ju; Wang, Kai-Min; Lee, Chia-Yi; Wang, Song-Wei; Thapa, Kedar Bahadur; Govindaraj, Manivannan; Chen, Jhy-Der","Influence of Metal Ions on the Structural Complexity of Mixed-Ligand Divalent Coordination Polymers","Chemistry","2024","6","5","1020","1038","10.3390/chemistry6050059","","","0.71073","MoKα","","0.0526","0.0377","","","0.0841","0.0904","","","","","","1.017","","","","has coordinates","295354","2024-10-06","12:47:44",""
"1572806","29.3869","0.0004","10.0253","0.0001","21.6458","0.0003","90","","93.1008","0.0007","90","","6367.79","0.14","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 Cd N4 O9 -","- C36 H28 Cd N4 O9 -","- C288 H224 Cd8 N32 O72 -","8","1","","Cheng, Fang-Ju; Wang, Kai-Min; Lee, Chia-Yi; Wang, Song-Wei; Thapa, Kedar Bahadur; Govindaraj, Manivannan; Chen, Jhy-Der","Influence of Metal Ions on the Structural Complexity of Mixed-Ligand Divalent Coordination Polymers","Chemistry","2024","6","5","1020","1038","10.3390/chemistry6050059","","","0.71073","MoKα","","0.037","0.0292","","","0.0705","0.0746","","","","","","1.06","","","","has coordinates","295354","2024-10-06","12:47:45",""
"1572807","11.5475","0.0013","21.944","0.002","20.8","0.002","90","","92.035","0.002","90","","5267.4","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H47 Co4 N2 O21 -","- C47 H45 Co4 N2 O21 -","- C188 H180 Co16 N8 O84 -","4","1","","Cheng, Fang-Ju; Wang, Kai-Min; Lee, Chia-Yi; Wang, Song-Wei; Thapa, Kedar Bahadur; Govindaraj, Manivannan; Chen, Jhy-Der","Influence of Metal Ions on the Structural Complexity of Mixed-Ligand Divalent Coordination Polymers","Chemistry","2024","6","5","1020","1038","10.3390/chemistry6050059","","","0.71073","MoKα","","0.15","0.0766","","","0.1945","0.2315","","","","","","1.051","","","","has coordinates,has disorder","295354","2024-10-06","12:47:45",""
"1572808","18.5332","0.0003","15.1797","0.0003","15.6862","0.0003","90","","107.029","0.001","90","","4219.5","0.14","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 N4 O12 Zn2 -","- C44 H42 N4 O12 Zn2 -","- C176 H168 N16 O48 Zn8 -","4","1","","Cheng, Fang-Ju; Wang, Kai-Min; Lee, Chia-Yi; Wang, Song-Wei; Thapa, Kedar Bahadur; Govindaraj, Manivannan; Chen, Jhy-Der","Influence of Metal Ions on the Structural Complexity of Mixed-Ligand Divalent Coordination Polymers","Chemistry","2024","6","5","1020","1038","10.3390/chemistry6050059","","","0.71073","MoKα","","0.1029","0.0475","","","0.1033","0.124","","","","","","1.012","","","","has coordinates","295354","2024-10-06","12:47:45",""
"1572809","19.7055","0.0007","15.5586","0.0006","8.7536","0.0003","90","","111.408","0.002","90","","2498.6","0.16","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 Cd N4 O7 -","- C24 H32 Cd N4 O7 -","- C96 H128 Cd4 N16 O28 -","4","0.5","","Cheng, Fang-Ju; Wang, Kai-Min; Lee, Chia-Yi; Wang, Song-Wei; Thapa, Kedar Bahadur; Govindaraj, Manivannan; Chen, Jhy-Der","Influence of Metal Ions on the Structural Complexity of Mixed-Ligand Divalent Coordination Polymers","Chemistry","2024","6","5","1020","1038","10.3390/chemistry6050059","","","0.71073","MoKα","","0.0728","0.0401","","","0.067","0.0758","","","","","","1.018","","","","has coordinates","295354","2024-10-06","12:47:46",""
"1572810","5.9268","0.0007","5.9268","0.0007","5.9268","0.0007","90","","90","","90","","208.19","0.04","295","2","295","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","silver antimony lead selenide","silver antimony lead selenide","","- Ag0.33 Pb0.33 Sb0.33 Se -","- Ag0.3334 Pb0.3333 Sb0.3333 Se -","- Ag1.3336 Pb1.3332 Sb1.3332 Se4 -","4","0.0208333","","Grauer, Maxim; Benndorf, Christopher; Rohr, Valentin; Paulmann, Carsten; Oeckler, Oliver","Investigations of Some Disordered Quaternary Compounds in the Systems Ag/Pb/Sb/Se and Ag/Pb/Sb/Te","Crystals","2024","14","9","789","","10.3390/cryst14090789","","","0.56086","AgKα","","0.0133","0.0133","","","0.0269","0.0269","","","","","","1.201","","","","has coordinates","295355","2024-10-06","13:21:56",""
"1572811","4.2887","0.0001","4.2887","0.0001","41.544","0.001","90","","90","","120","","661.74","0.03","295","2","295","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","silver lead antimony telluride","silver lead antimony telluride","","- Ag0.38 Pb0.25 Sb2.38 Te4 -","- Ag0.3785 Pb0.2432 Sb2.3785 Te4 -","- Ag1.1355 Pb0.7296 Sb7.1355 Te12 -","3","0.0833333","","Grauer, Maxim; Benndorf, Christopher; Rohr, Valentin; Paulmann, Carsten; Oeckler, Oliver","Investigations of Some Disordered Quaternary Compounds in the Systems Ag/Pb/Sb/Se and Ag/Pb/Sb/Te","Crystals","2024","14","9","789","","10.3390/cryst14090789","","","0.5","synchrotron","","0.0208","0.0203","","","0.0599","0.0605","","","","","","1.134","","","","has coordinates","295356","2024-10-06","13:22:16",""
"1572812","4.2118","0.0001","13.859","0.001","20.862","0.001","90","","90","","90","","1217.74","0.11","295","2","295","2","","","","","","","","4","C m c m","-C 2c 2","63","silver lead antimony selenide","silver lead antimony selenide","","- Ag0.61 Pb1.79 Sb2.61 Se6 -","- Ag0.6056 Pb1.7892 Sb2.6056 Se6 -","- Ag2.4224 Pb7.1568 Sb10.4224 Se24 -","4","0.25","","Grauer, Maxim; Benndorf, Christopher; Rohr, Valentin; Paulmann, Carsten; Oeckler, Oliver","Investigations of Some Disordered Quaternary Compounds in the Systems Ag/Pb/Sb/Se and Ag/Pb/Sb/Te","Crystals","2024","14","9","789","","10.3390/cryst14090789","","","0.5001","synchrotron","","0.0413","0.036","","","0.0965","0.0991","","","","","","1.349","","","","has coordinates","295357","2024-10-06","13:22:32",""
"1572813","11.3091","0.0001","15.7826","0.0002","25.6534","0.0002","90","","100.216","0.001","90","","4506.21","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H44 Au3.1 Cu0.9 N4 -","- C53 H44 Au3.1 Cu0.9 N4 -","- C212 H176 Au12.4 Cu3.6 N16 -","4","1","","Zuo, Dongjie; Guo, Huifang; Xu, Qinghua; He, Ayisha; Li, Zilin; Li, Simin; Shen, Hui","N-Heterocyclic carbene-stabilized gold-copper nanoclusters: synthesis, bonding and mechanochromism.","Nanoscale","2024","16","43","20228","20234","10.1039/d4nr03320e","","x-ray","1.54184","CuKα","","0.0377","0.0329","","","0.083","0.0853","","","","","","1.036","","","","has coordinates,has disorder","296618","2024-12-06","20:05:12",""
"1572814","13.6775","0.0008","7.0104","0.0003","26.4013","0.0012","90","","95.209","0.005","90","","2521","0.2","293","2","293","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1","","- C15 H9 Cl N4 -","- C15 H9 Cl N4 -","- C120 H72 Cl8 N32 -","8","1","","Chen, Yang; Sahoo, Smruti Ranjan; Baryshnikov, Glib V.; Gao, Lei; Zhu, Zhijia; Wu, Hongwei","Solution and solid-state fluorescence emission from cyanostyrene molecules with multiple nitrogen atoms.","Physical chemistry chemical physics : PCCP","2024","26","42","26816","26822","10.1039/d4cp03297g","","x-ray","1.54184","CuKα","","0.1269","0.1047","","","0.2757","0.3062","","","","","","1.104","","","","has coordinates","296705","2024-12-06","20:49:40",""
"1572815","10.8369","0.0008","7.3671","0.0007","20.0273","0.0014","90","","104.078","0.007","90","","1550.9","0.2","293","2","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1","","- C19 H14 N4 O -","- C19 H14 N4 O -","- C76 H56 N16 O4 -","4","1","","Chen, Yang; Sahoo, Smruti Ranjan; Baryshnikov, Glib V.; Gao, Lei; Zhu, Zhijia; Wu, Hongwei","Solution and solid-state fluorescence emission from cyanostyrene molecules with multiple nitrogen atoms.","Physical chemistry chemical physics : PCCP","2024","26","42","26816","26822","10.1039/d4cp03297g","","x-ray","1.54184","CuKα","","0.0762","0.0728","","","0.1746","0.1791","","","","","","1.116","","","","has coordinates","296705","2024-12-06","20:49:40",""
"1572816","4.9897","0.0004","21.8014","0.0019","11.3394","0.0009","90","","92.995","0.008","90","","1231.84","0.18","125","","125","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 2-[(<i>Z</i>)-5-methyl-2-oxoindolin-3-ylidene]hydrazinecarbodithioate","","- C11 H11 N3 O S2 -","- C11 H11 N3 O S2 -","- C44 H44 N12 O4 S8 -","4","1","HB4486","Abdul Manan, Mohd Abdul Fatah; Cordes, David B.; McKay, Aidan P.","Methyl 2-[(Z)-5-methyl-2-oxoindolin-3-ylidene]hydrazinecarbodithioate","IUCrData","2024","9","10","","","10.1107/S2414314624009672","","x-ray","1.54184","CuKα","","0.1403","0.0788","","","0.1493","0.1853","","","","","","1.09","","","","has coordinates","295378","2024-10-09","02:17:33",""
"1572817","7.3781","0.0006","8.005","0.0006","12.1306","0.0008","90","","99.767","0.007","90","","706.07","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Dimethylpiperazine-2,3-dione","","- C6 H10 N2 O2 -","- C6 H10 N2 O2 -","- C24 H40 N8 O8 -","4","1","HB4484","Khamrang, Themmila; Ponraj, C.; Hemamalini, Madhukar; Antony, G. Jerald Maria; Saravanan, Dhandayutham","1,4-Dimethylpiperazine-2,3-dione","IUCrData","2024","9","10","","","10.1107/S2414314624009362","","","0.71073","MoKα","","0.0849","0.0634","","","0.1646","0.1814","","","","","","1.065","","","","has coordinates","295379","2024-10-09","02:17:53",""
"1572818","17.7036","0.0016","5.8468","0.0006","31.418","0.003","90","","90","","90","","3252.1","0.5","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Bromo-<i>N</i>,<i>N</i>'-diphenylbenzimidamide <i>N</i>'-oxide","","- C19 H15 Br N2 O -","- C19 H15 Br N2 O -","- C152 H120 Br8 N16 O8 -","8","2","HB4487","Saha, Arindam; Chartrand, Daniel; Cibian, Mihaela; Maris, Thierry; Hanan, Garry S.","4-Bromo-N,N′-diphenylbenzimidamide N′-oxide","IUCrData","2024","9","10","","","10.1107/S2414314624009684","","x-ray","1.34139","GaKα","","0.078","0.055","","","0.1396","0.1581","","","","","","1.071","","","","has coordinates","295380","2024-10-09","02:18:22",""
"1572819","8.5264","0.0003","12.9009","0.0003","13.416","0.0004","90","","90","","90","","1475.74","0.08","300","0.1","300","0.1","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C5 H13 Br5 Ga N -","- C5 H13 Br5 Ga N -","- C20 H52 Br20 Ga4 N4 -","4","0.5","","Tang, Zheng-Xiao; Wang, Bin; Li, Zhi-Rui; Huang, Zhuo; Zhao, Hai-Xia; Long, La-Sheng; Zheng, Lan-Sun","Enhancing the performance of molecule-based piezoelectric sensors by optimizing their microstructures.","Chemical science","2024","15","43","18060","18066","10.1039/d4sc05442c","","x-ray","1.54184","CuKα","","0.0491","0.0455","","","0.1144","0.1167","","","","","","1.092","","","","has coordinates,has disorder","296375","2024-12-06","16:31:25",""
"1572820","7.6159","0.0015","8.6763","0.0013","7.9574","0.0011","90","","90","","90","","525.81","0.15","296.32","0.1","296.32","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- N O6 Sb Te -","- N O6 Sb Te -","- N4 O24 Sb4 Te4 -","4","1","","Zhang, Bo; Hu, Chun-Li; Mao, Jiang-Gao; Kong, Fang","Fully tricoordinated assembly unveils a pioneering nonlinear optical crystal (SbTeO<sub>3</sub>)(NO<sub>3</sub>).","Chemical science","2024","15","44","18549","18556","10.1039/d4sc05640j","","x-ray","0.71073","MoKα","","0.0395","0.0336","","","0.0765","0.0797","","","","","","1.028","","","","has coordinates","296361","2024-12-06","16:23:06",""
"1572821","10.0967","0.0004","23.8308","0.001","24.3101","0.0011","90","","90","","90","","5849.3","0.4","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H27 B12 Br2 F3 N2 S -","- C18 H27 B12 Br2 F3 N2 S -","- C144 H216 B96 Br16 F24 N16 S8 -","8","1","","Zhong, Minling; Zhang, Jie; Xie, Zuowei","N[double bond, length as m-dash]N bond cleavage in diazirines by a cyclic diborane(4) compound.","Chemical science","2024","15","43","18048","18051","10.1039/d4sc04980b","","","0.71073","MoKα","","0.0854","0.0553","","","0.119","0.1332","","","","","","1.058","","","","has coordinates","296371","2024-12-06","16:30:44",""
"1572822","16.7138","0.0019","35.995","0.004","13.3816","0.0016","90","","118.474","0.003","90","","7076.7","1.4","245","2","245","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H32 B12 Br3 Cl3 F3 N2 P S -","- C16 H31 B12 Br3 Cl2 F3 N2 P S -","- C128 H248 B96 Br24 Cl16 F24 N16 P8 S8 -","8","1","","Zhong, Minling; Zhang, Jie; Xie, Zuowei","N[double bond, length as m-dash]N bond cleavage in diazirines by a cyclic diborane(4) compound.","Chemical science","2024","15","43","18048","18051","10.1039/d4sc04980b","","","0.71073","MoKα","","0.1698","0.084","","","0.2148","0.2568","","","","","","1.044","","","","has coordinates","296371","2024-12-06","16:30:44",""
"1572823","10.3152","0.0019","12.2542","0.0016","20.6868","0.0014","79.983","0.007","82.962","0.01","71.165","0.015","2431","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H50 N4 O -","- C58 H50 N4 O -","- C116 H100 N8 O2 -","2","1","","Zhou, Huayi; Wang, Runze; Sun, Mizhen; Zhou, Yannan; Zhang, Li; Song, Jingru; Sun, Qikun; Zhang, Shi-Tong; Yang, Wenjun; Xue, Shanfeng","Highly efficient pure organic near-ultraviolet (NUV) electro-fluorescent materials with high electron mobility and improved hole mobility.","Chemical science","2024","15","44","18601","18607","10.1039/d4sc05625f","","","0.71073","MoKα","","0.2219","0.117","","","0.2692","0.3146","","","","","","1.062","","","","has coordinates","296351","2024-12-06","16:19:35",""
"1572824","10.419","0.004","10.639","0.004","23.685","0.009","93.232","0.008","102.281","0.008","112.408","0.007","2344","1.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H47 Cl3 N4 -","- C58 H47 Cl3 N4 -","- C116 H94 Cl6 N8 -","2","1","","Zhou, Huayi; Wang, Runze; Sun, Mizhen; Zhou, Yannan; Zhang, Li; Song, Jingru; Sun, Qikun; Zhang, Shi-Tong; Yang, Wenjun; Xue, Shanfeng","Highly efficient pure organic near-ultraviolet (NUV) electro-fluorescent materials with high electron mobility and improved hole mobility.","Chemical science","2024","15","44","18601","18607","10.1039/d4sc05625f","","","0.71073","MoKα","","0.2081","0.1255","","","0.3279","0.3596","","","","","","1.058","","","","has coordinates","296351","2024-12-06","16:19:35",""
"1572825","32.1662","0.0007","24.9817","0.0004","13.4105","0.0005","90","","90","","90","","10776.2","0.5","150","0.1","150","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","TC-MOF","","- C65 H49 Er3 N2 O21 -","- C65 H49 Er3 N1.5 O21 -","- C260 H196 Er12 N6 O84 -","4","0.5","","Xia, Qingchun; Han, Kaixin; Ma, Xuxiao; Qiu, Pengtao; Li, Zhiyong; Chen, Xuenian","A tetraphenylborate-based anionic metal-organic framework as a versatile solid electrolyte for fast Li<sup>+</sup>, Na<sup>+</sup>, K<sup>+</sup>, Mg<sup>2+</sup>, Ca<sup>2+</sup>, and Zn<sup>2+</sup> transportation.","Chemical science","2024","15","42","17579","17589","10.1039/d4sc02861a","","x-ray","1.54184","CuKα","","0.066","0.0502","","","0.1287","0.1449","","","","","","1.032","","","","has coordinates,has disorder","296387","2024-12-06","16:38:00",""
"1572826","32.6786","0.0005","24.8964","0.0004","13.9814","0.0003","90","","90","","90","","11375","0.4","170","0.1","170","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C31.5 H23.5 B Er1.5 N O10.5 -","- C31.5 H23.5 B Er1.5 N O10.5 -","- C252 H188 B8 Er12 N8 O84 -","8","1","","Xia, Qingchun; Han, Kaixin; Ma, Xuxiao; Qiu, Pengtao; Li, Zhiyong; Chen, Xuenian","A tetraphenylborate-based anionic metal-organic framework as a versatile solid electrolyte for fast Li<sup>+</sup>, Na<sup>+</sup>, K<sup>+</sup>, Mg<sup>2+</sup>, Ca<sup>2+</sup>, and Zn<sup>2+</sup> transportation.","Chemical science","2024","15","42","17579","17589","10.1039/d4sc02861a","","x-ray","1.54184","CuKα","","0.0687","0.0537","","","0.1479","0.1537","","","","","","1.141","","","","has coordinates,has disorder","296387","2024-12-06","16:38:00",""
"1572827","14.3934","0.0003","15.1871","0.0003","24.943","0.0005","89.932","0.002","99.74","0.002","115.133","0.002","4849.75","0.19","150","","150","","","","","","","","","6","P -1","-P 1","2","","Hf6-phenylphosphinate","","- C73.45 H78.9 Cl2.9 Hf6 O32 P12 -","- C72.2 H76.4 Cl0.4 Hf6 O32 P12 -","- C144.4 H152.8 Cl0.8 Hf12 O64 P24 -","2","1","","Unniram Parambil, Ajmal Roshan; Pokratath, Rohan; Parammal, Muhammed Jibin; Dhaene, Evert; Van den Eynden, Dietger; Balog, Sandor; Prescimone, Alessandro; Infante, Ivan; Shahgaldian, Patrick; De Roo, Jonathan","Atomically precise surface chemistry of zirconium and hafnium metal oxo clusters beyond carboxylate ligands.","Chemical science","2024","15","42","17380","17396","10.1039/d4sc03859b","","x-ray","1.34143","GaKα","","0.0984","0.0899","","","0.2276","0.2348","","","","","","1.046","","","","has coordinates","296392","2024-12-06","16:40:42",""
"1572828","14.4003","0.0003","15.2252","0.0004","24.9863","0.0006","89.897","0.002","80.487","0.002","64.685","0.002","4869.4","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","Zr6-phenylphosphinate","","- C73 H78 Cl2 O32 P12 Zr6 -","- C72.7 H77.4 Cl1.4 O32 P12 Zr6 -","- C145.4 H154.8 Cl2.8 O64 P24 Zr12 -","2","1","","Unniram Parambil, Ajmal Roshan; Pokratath, Rohan; Parammal, Muhammed Jibin; Dhaene, Evert; Van den Eynden, Dietger; Balog, Sandor; Prescimone, Alessandro; Infante, Ivan; Shahgaldian, Patrick; De Roo, Jonathan","Atomically precise surface chemistry of zirconium and hafnium metal oxo clusters beyond carboxylate ligands.","Chemical science","2024","15","42","17380","17396","10.1039/d4sc03859b","","x-ray","1.34143","GaKα","","0.0972","0.0871","","","0.2444","0.257","","","","","","1.048","","","","has coordinates,has disorder","296392","2024-12-06","16:40:47",""
"1572829","32.4731","0.0004","32.4731","0.0004","96.4532","0.0011","90","","90","","120","","88083.5","1.8","150","0.1","150","0.1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C432 H192 Ag98 Cl4 F144 -","- C432 H192 Ag98 Cl4 F144 -","- C2592 H1152 Ag588 Cl24 F864 -","6","0.333333","","Cui, Xiaoqin; Zhang, Xuehuan; Li, Ting; Zhu, Sheng; Han, Gaoyi; Li, Huan","Substituent effect in determining the total structure of an all-alkynyl-protected Ag<sub>98</sub> nanocluster for methanol tolerant oxygen reduction reaction.","Chemical science","2024","15","43","18161","18169","10.1039/d4sc04318a","","x-ray","1.54184","CuKα","","0.117","0.0778","","","0.2263","0.2582","","","","","","0.946","","","","has coordinates,has disorder","296382","2024-12-06","16:35:45",""
"1572830","8.3637","0.0003","14.3587","0.0006","21.379","0.0008","90","","90","","90","","2567.44","0.17","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 B N -","- C30 H34 B N -","- C120 H136 B4 N4 -","4","1","","Arumugam, Ramar; Muhammed Munthasir, Akkarakkaran Thayyil; Kannan, Ramkumar; Banerjee, Dipanjan; Sudhakar, Pagidi; Soma, Venugopal Rao; Thilagar, Pakkirisamy; Chandrasekhar, Vadapalli","Regioisomers containing triarylboron-based motifs as multi-functional photoluminescent materials: from dual-mode delayed emission to pH-switchable room-temperature phosphorescence.","Chemical science","2024","15","44","18364","18378","10.1039/d4sc05656f","","","0.71073","MoKα","","0.1003","0.0584","","","0.1648","0.1918","","","","","","1.013","","","","has coordinates","296355","2024-12-06","16:21:39",""
"1572831","7.9503","0.0004","8.3312","0.0004","19.4228","0.0009","78.527","0.004","89.087","0.004","87.192","0.004","1259.23","0.11","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H34 B N -","- C30 H34 B N -","- C60 H68 B2 N2 -","2","1","","Arumugam, Ramar; Muhammed Munthasir, Akkarakkaran Thayyil; Kannan, Ramkumar; Banerjee, Dipanjan; Sudhakar, Pagidi; Soma, Venugopal Rao; Thilagar, Pakkirisamy; Chandrasekhar, Vadapalli","Regioisomers containing triarylboron-based motifs as multi-functional photoluminescent materials: from dual-mode delayed emission to pH-switchable room-temperature phosphorescence.","Chemical science","2024","15","44","18364","18378","10.1039/d4sc05656f","","","0.71073","MoKα","","0.0716","0.0585","","","0.1667","0.1787","","","","","","1.048","","","","has coordinates","296355","2024-12-06","16:21:39",""
"1572832","17.9022","0.0007","8.3999","0.0003","47.941","0.0016","90","","94.795","0.003","90","","7184","0.5","100","2","100","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C34 H41 B Cl4 F3 N O3 S -","- C34 H41 B Cl4 F3 N O3 S -","- C272 H328 B8 Cl32 F24 N8 O24 S8 -","8","1","","Arumugam, Ramar; Muhammed Munthasir, Akkarakkaran Thayyil; Kannan, Ramkumar; Banerjee, Dipanjan; Sudhakar, Pagidi; Soma, Venugopal Rao; Thilagar, Pakkirisamy; Chandrasekhar, Vadapalli","Regioisomers containing triarylboron-based motifs as multi-functional photoluminescent materials: from dual-mode delayed emission to pH-switchable room-temperature phosphorescence.","Chemical science","2024","15","44","18364","18378","10.1039/d4sc05656f","","","0.71073","MoKα","","0.0976","0.0764","","","0.2016","0.2146","","","","","","1.026","","","","has coordinates,has disorder","296355","2024-12-06","16:21:39",""
"1572833","8.241","0.0003","15.6585","0.0007","9.0543","0.0004","90","","92.064","0.001","90","","1167.62","0.08","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(tert-butyl)-4λ4-azaspiro[2.5]octane hydrochloride","","- C11 H22 Cl N -","- C11 H22 Cl N -","- C44 H88 Cl4 N4 -","4","1","","Izzotti, Anthony R.; Gleason, James L.","Driving <i>tert</i>-butyl axial: the surprising cyclopropyl effect.","Chemical science","2024","15","44","18592","18600","10.1039/d4sc05470a","","","1.54178","CuKα","","0.0478","0.0461","","","0.1321","0.1348","","","","","","1.094","","","","has coordinates","296349","2024-12-06","16:18:41",""
"1572834","16.197","0.0005","5.705","0.0002","20.808","0.0006","90","","110.374","0.001","90","","1802.45","0.1","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","4,9-dibenzyl-4,9-diazadispiro[2.2.26.23]decane","","- C22 H26 N2 -","- C22 H26 N2 -","- C88 H104 N8 -","4","0.5","","Izzotti, Anthony R.; Gleason, James L.","Driving <i>tert</i>-butyl axial: the surprising cyclopropyl effect.","Chemical science","2024","15","44","18592","18600","10.1039/d4sc05470a","","","1.54178","CuKα","","0.0523","0.0438","","","0.107","0.1165","","","","","","1.037","","","","has coordinates","296349","2024-12-06","16:18:41",""
"1572835","14.12","0.003","9.381","0.002","14.431","0.003","90","","118.58","0.014","90","","1678.6","0.7","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4,7-dibenzyl-4,7-diazaspiro[2.5]octane-4,7-diium di-4-methylbenzenesulfonate hydrate","","- C34 H42 N2 O7 S2 -","- C34 H42 N2 O7 S2 -","- C68 H84 N4 O14 S4 -","2","1","","Izzotti, Anthony R.; Gleason, James L.","Driving <i>tert</i>-butyl axial: the surprising cyclopropyl effect.","Chemical science","2024","15","44","18592","18600","10.1039/d4sc05470a","","","1.54178","CuKα","","0.0758","0.0502","","","0.1277","0.1453","","","","","","1.038","","","","has coordinates,has disorder","296349","2024-12-06","16:18:41",""
"1572836","9.0954","0.0014","28.981","0.004","20.898","0.003","90","","90","","90","","5508.6","1.4","296","2","296.15","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C46 H58 N2 O10 S2 -","- C46 H58 N2 O10 S2 -","- C184 H232 N8 O40 S8 -","4","0.5","","Liu, Huifeng; He, Yongrui; Chen, Jia; Qu, Xiaoqing; He, Jing; Chen, Xuwei; Wang, Jianhua; Qiu, Hongdeng","Chiral ionic organic single-crystal and its exfoliated two-dimensional nanosheets with enhanced enantioseparation.","Chemical science","2024","15","45","18818","18824","10.1039/d4sc04990j","","","0.71073","MoKα","","0.0929","0.0517","","","0.1295","0.1414","","","","","","0.999","","","","has coordinates","296435","2024-12-06","17:00:24",""
"1572837","14.9819","0.0006","14.988","0.0004","19.2809","0.0006","75.285","0.003","68.908","0.003","83.041","0.003","3904.8","0.2","100","2","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C47.5 H41 O3 P2 Re -","- C47.5 H41 O3 P2 Re -","- C190 H164 O12 P8 Re4 -","4","2","","Cui, Mingxu; Huang, Jie; Tsang, Long Yiu; Sung, Herman H. Y.; Williams, Ian D.; Jia, Guochen","Exploring efficient and air-stable d<sup>2</sup> Re(v) alkylidyne catalysts: toward room temperature alkyne metathesis.","Chemical science","2024","15","44","18318","18326","10.1039/d4sc05369a","","","1.54184","CuKα","","0.0451","0.0355","","","0.0854","0.093","","","","","","1.049","","","","has coordinates,has disorder","296354","2024-12-06","16:21:24",""
"1572838","17.138","0.0003","18.3645","0.0004","21.067","0.0005","107.093","0.002","92.87","0.002","113.868","0.002","5686.2","0.3","173","0.1","173","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C105.5 H55.5 Cl6.5 F48 O4 P4 Re2 Zn -","- C105.5 H55.5 Cl6.5 F48 O4 P4 Re2 Zn -","- C211 H111 Cl13 F96 O8 P8 Re4 Zn2 -","2","1","","Cui, Mingxu; Huang, Jie; Tsang, Long Yiu; Sung, Herman H. Y.; Williams, Ian D.; Jia, Guochen","Exploring efficient and air-stable d<sup>2</sup> Re(v) alkylidyne catalysts: toward room temperature alkyne metathesis.","Chemical science","2024","15","44","18318","18326","10.1039/d4sc05369a","","x-ray","1.54184","CuKα","","0.0632","0.0537","","","0.145","0.1564","","","","","","1.035","","","","has coordinates,has disorder","296354","2024-12-06","16:21:24",""
"1572839","11.0053","0.0005","11.439","0.0004","17.8263","0.0006","85.487","0.003","78.475","0.003","62.411","0.004","1948.62","0.15","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H41 O2 P2 Re S -","- C46 H41 O2 P2 Re S -","- C92 H82 O4 P4 Re2 S2 -","2","1","","Cui, Mingxu; Huang, Jie; Tsang, Long Yiu; Sung, Herman H. Y.; Williams, Ian D.; Jia, Guochen","Exploring efficient and air-stable d<sup>2</sup> Re(v) alkylidyne catalysts: toward room temperature alkyne metathesis.","Chemical science","2024","15","44","18318","18326","10.1039/d4sc05369a","","x-ray","1.54184","CuKα","","0.0166","0.0159","","","0.0393","0.0397","","","","","","1.05","","","","has coordinates","296354","2024-12-06","16:21:24",""
"1572840","8.281","0.004","10.126","0.005","19.388","0.008","86.625","0.009","85.739","0.01","72.015","0.011","1540.9","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H48 N4 Si -","- C31 H48 N4 Si -","- C62 H96 N8 Si2 -","2","1","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","MoKα","","0.0842","0.0713","","","0.1624","0.1726","","","","","","1.121","","","","has coordinates","296352","2024-12-06","16:20:42",""
"1572841","19.9625","0.0012","6.8258","0.0004","19.8501","0.0012","90","","105.828","0.002","90","","2602.2","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 N4 -","- C28 H38 N4 -","- C112 H152 N16 -","4","1","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","MoKα","","0.164","0.0746","","","0.1487","0.1903","","","","","","1.021","","","","has coordinates","296352","2024-12-06","16:20:42",""
"1572842","12.151","0.0004","11.9324","0.0005","18.7244","0.0008","90","","90","","90","","2714.86","0.19","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H21 N5 -","- C13 H21 N5 -","- C104 H168 N40 -","8","1","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","MoKα","","0.0627","0.0474","","","0.1138","0.1207","","","","","","1.056","","","","has coordinates","296352","2024-12-06","16:20:42",""
"1572843","10.5986","0.0012","14.3442","0.0017","21.841","0.003","90","","100.144","0.003","90","","3268.5","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H50 N4 O2 -","- C34 H50 N4 O2 -","- C136 H200 N16 O8 -","4","1","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","MoKα","","0.0991","0.0715","","","0.1383","0.1499","","","","","","1.106","","","","has coordinates","296352","2024-12-06","16:20:42",""
"1572844","12.2095","0.0015","16.906","0.002","17.394","0.002","102.647","0.004","102.612","0.004","109.02","0.004","3144.4","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H50 N4 Si -","- C32 H50 N4 Si -","- C128 H200 N16 Si4 -","4","2","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","MoKα","","0.0872","0.0752","","","0.2307","0.2392","","","","","","1.06","","","","has coordinates,has disorder","296352","2024-12-06","16:20:42",""
"1572845","13.505","0.003","12.601","0.002","17.615","0.003","90","","110.277","0.006","90","","2811.9","0.9","224","2","224","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H40 N6 O4 -","- C23 H40 N6 O4 -","- C92 H160 N24 O16 -","4","1","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","MoKα","","0.0895","0.0683","","","0.1766","0.1929","","","","","","1.031","","","","has coordinates,has disorder","296352","2024-12-06","16:20:42",""
"1572846","9.8892","0.0006","15.8752","0.0011","21.8134","0.0013","90","","95.043","0.002","90","","3411.3","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H50 N4 O2 Si -","- C34 H50 N4 O2 Si -","- C136 H200 N16 O8 Si4 -","4","1","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","MoKα","","0.1194","0.0633","","","0.1185","0.1397","","","","","","1.025","","","","has coordinates","296352","2024-12-06","16:20:42",""
"1572847","9.461","0.003","11.622","0.004","12.759","0.004","82.729","0.009","82.161","0.009","89.987","0.009","1378.4","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H39.5 Cl N4 O0.25 -","- C28 H39 Cl N4 O0.25 -","- C56 H78 Cl2 N8 O0.5 -","2","1","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","MoKα","","0.1284","0.0563","","","0.1145","0.132","","","","","","0.843","","","","has coordinates","296352","2024-12-06","16:20:42",""
"1572848","11.1953","0.0007","13.1685","0.0009","21.739","0.0015","90","","99.457","0.002","90","","3161.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H48 N4 O2 -","- C33 H48 N4 O2 -","- C132 H192 N16 O8 -","4","1","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","","","0.0881","0.0577","","","0.1122","0.124","","","","","","1.073","","","","has coordinates","296352","2024-12-06","16:20:42",""
"1572849","11.4307","0.0012","11.4548","0.0013","28.925","0.003","90","","90","","90","","3787.3","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H30 N4 O2 -","- C17 H30 N4 O2 -","- C136 H240 N32 O16 -","8","1","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","MoKα","","0.104","0.0608","","","0.1184","0.1396","","","","","","1.103","","","","has coordinates","296352","2024-12-06","16:20:42",""
"1572850","11.0142","0.0005","10.0702","0.0004","12.5419","0.0006","90","","110.769","0.002","90","","1300.69","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 N4 -","- C12 H22 N4 -","- C48 H88 N16 -","4","1","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","MoKα","","0.0412","0.0378","","","0.1066","0.1104","","","","","","1.093","","","","has coordinates","296352","2024-12-06","16:20:42",""
"1572851","12.6958","0.001","17.2563","0.0011","18.327","0.0013","90","","107.659","0.002","90","","3825.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 N4 O2 -","- C40 H54 N4 O2 -","- C160 H216 N16 O8 -","4","1","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","MoKα","","0.1226","0.0705","","","0.1334","0.1556","","","","","","1.038","","","","has coordinates,has disorder","296352","2024-12-06","16:20:42",""
"1572852","10.2595","0.0008","19.2221","0.0014","16.2971","0.0013","90","","107.065","0.003","90","","3072.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H46 N4 Si -","- C31 H46 N4 Si -","- C124 H184 N16 Si4 -","4","1","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","MoKα","","0.0839","0.0517","","","0.1161","0.1385","","","","","","1.039","","","","has coordinates,has disorder","296352","2024-12-06","16:20:42",""
"1572853","10.1752","0.0012","18.596","0.003","19.949","0.003","105.886","0.004","94.06","0.005","91.388","0.004","3617.7","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H30 N4 Si -","- C15 H30 N4 Si -","- C120 H240 N32 Si8 -","8","4","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","MoKα","","0.1098","0.1004","","","0.2341","0.2381","","","","","","1.223","","","","has coordinates","296352","2024-12-06","16:20:42",""
"1572855","17.0812","0.0029","17.0812","","17.0812","","90","","90","","90","","4983.7","0.8","300","","300","","","","100","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C24 H24 Co N36 Ni2 -","- C12 H12 Co N18 Ni2 -","- C96 H96 Co8 N144 Ni16 -","8","0.0416667","","Zheng, Minling; Liu, Yubo; Zhang, Qifu; Li, Wenjing; Zhang, Yong; Feng, Guangxue; Hu, Yating; Huang, Shaoming","Dual metal centers within a water-stable Co/Ni bimetallic metal-triazolate framework contribute to durable photocatalysis for water treatment.","Nanoscale","2024","16","43","20082","20088","10.1039/d4nr03940h","powder diffraction","x-ray","1.5405","CuKα","","","","","","","","0.07926","","","","","","","","","has coordinates","296617","2024-12-06","20:04:59",""
"1572856","17.1653","","17.1653","","17.1653","","90","","90","","90","","5057.71","","300","","300","","","","100","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","Ni-MET","","","- C24 H24 N36 Ni3 -","- C12 H12 N18 Ni3 -","- C96 H96 N144 Ni24 -","8","0.0416667","","Zheng, Minling; Liu, Yubo; Zhang, Qifu; Li, Wenjing; Zhang, Yong; Feng, Guangxue; Hu, Yating; Huang, Shaoming","Dual metal centers within a water-stable Co/Ni bimetallic metal-triazolate framework contribute to durable photocatalysis for water treatment.","Nanoscale","2024","16","43","20082","20088","10.1039/d4nr03940h","powder diffraction","x-ray","1.5405","CuKα","","","","","","","","0.31951","","","","","","","","","has coordinates","296617","2024-12-06","20:05:01",""
"1572857","18.9221","0.0002","18.1077","0.0002","21.0075","0.0003","90","","105.814","0.001","90","","6925.49","0.15","296.93","0.1","296.93","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H41 Br3 N2 Ni O2 -","- C31 H41 Br3 N2 Ni O2 -","- C248 H328 Br24 N16 Ni8 O16 -","8","1","","Zhang, Mengyao; Dai, Shengyu","Nickel-catalyzed direct synthesis of hyperbranched liquid oligoethylene","Polymer Chemistry","2024","15","45","4627","4636","10.1039/D4PY00709C","","x-ray","1.54184","CuKα","","0.0508","0.0486","","","0.1505","0.153","","","","","","1.043","","","","has coordinates","296718","2024-12-06","20:54:34",""
"1572858","6.3366","0.0003","16.1613","0.0007","10.1821","0.0004","90","","93.579","0.004","90","","1040.69","0.08","152.98","0.1","152.98","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C4 H14 I6 N2 O Pb2 -","- C4 H14 I6 N2 O Pb2 -","- C8 H28 I12 N4 O2 Pb4 -","2","0.5","","Wang, Wei; Liu, Cheng-Dong; Fan, Chang-Chun; Zhang, Wen","A three-dimensional lead iodide perovskite analog featuring hydrogen-bonded dual monovalent cations.","Chemical science","2024","15","44","18455","18462","10.1039/d4sc05585c","","x-ray","0.71073","MoKα","","0.0381","0.0347","","","0.0987","0.1003","","","","","","0.987","","","","has coordinates","296359","2024-12-06","16:22:46",""
"1572859","5.2898","0.0002","7.8669","0.0003","17.559","0.0006","99.161","0.003","96.187","0.003","90.692","0.003","716.87","0.05","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Cl N3 O -","- C16 H16 Cl N3 O -","- C32 H32 Cl2 N6 O2 -","2","1","","Zhu, Jiaxuan; Wu, Wenbo; Qi, Haoqiang; Yao, Yutong; Yu, Hui; Huang, Xin; Wang, Na; Wang, Ting; Hao, Hongxun","Dynamic organic crystals as exceptionally efficient artificial natural light-harvesting actuators.","Chemical science","2024","15","44","18617","18626","10.1039/d4sc05684a","","x-ray","1.54184","CuKα","","0.0376","0.0359","","","0.1041","0.1059","","","","","","1.079","","","","has coordinates","296353","2024-12-06","16:21:04",""
"1572860","14.9184","0.0005","12.9302","0.0004","7.6631","0.0003","90","","96.635","0.003","90","","1468.3","0.09","113.15","","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cl N3 O -","- C16 H16 Cl N3 O -","- C64 H64 Cl4 N12 O4 -","4","1","","Zhu, Jiaxuan; Wu, Wenbo; Qi, Haoqiang; Yao, Yutong; Yu, Hui; Huang, Xin; Wang, Na; Wang, Ting; Hao, Hongxun","Dynamic organic crystals as exceptionally efficient artificial natural light-harvesting actuators.","Chemical science","2024","15","44","18617","18626","10.1039/d4sc05684a","","x-ray","0.71073","MoKα","","0.0883","0.0643","","","0.128","0.1391","","","","","","1.079","","","","has coordinates","296353","2024-12-06","16:21:05",""
"1572861","21.398","0.003","21.398","0.003","53.967","0.014","90","","90","","90","","24710","8","80","2","80","2","","","","","","","","2","I 41/a c d :2","-I 4bd 2c","142","","","","- C156 H188 -","- C156 H188 -","- C1248 H1504 -","8","0.25","","Kumar, Rakesh; Chmielewski, Piotr J.; Lis, Tadeusz; Czarnecki, Mirosław; Stępień, Marcin","Pentacosacyclenes: cruciform molecular nanocarbons based on cyclooctatetraene.","Chemical science","2024","15","44","18640","18649","10.1039/d4sc05938g","","x-ray","0.71073","MoKα","","0.1883","0.1132","","","0.2734","0.2976","","","","","","1.614","","","","has coordinates,has disorder","296350","2024-12-06","16:19:25",""
"1572862","16.846","0.002","22.876","0.006","25.515","0.004","69.3","0.02","84.33","0.02","76.83","0.02","8954","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C242 H212 N4 O8 -","- C242 H212 N4 O8 -","- C484 H424 N8 O16 -","2","1","","Kumar, Rakesh; Chmielewski, Piotr J.; Lis, Tadeusz; Czarnecki, Mirosław; Stępień, Marcin","Pentacosacyclenes: cruciform molecular nanocarbons based on cyclooctatetraene.","Chemical science","2024","15","44","18640","18649","10.1039/d4sc05938g","","x-ray","1.54184","CuKα","","0.1709","0.1195","","","0.329","0.3687","","","","","","1.246","","","","has coordinates,has disorder","296350","2024-12-06","16:19:25",""
"1572863","37.776","0.009","37.776","0.009","37.012","0.0012","90","","90","","120","","45741","15","100","2","100","2","","","","","","","","2","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C470.4 H161.6 -","- C470.4 H161.6 -","- C2822.4 H969.6 -","6","0.5","","Kumar, Rakesh; Chmielewski, Piotr J.; Lis, Tadeusz; Czarnecki, Mirosław; Stępień, Marcin","Pentacosacyclenes: cruciform molecular nanocarbons based on cyclooctatetraene.","Chemical science","2024","15","44","18640","18649","10.1039/d4sc05938g","","x-ray","1.54184","CuKα","","0.1921","0.168","","","0.4278","0.4423","","","","","","3.352","","","","has coordinates,has disorder","296350","2024-12-06","16:19:25",""
"1572864","8.233","0.005","8.661","0.005","25.432","0.016","90","","96.086","0.008","90","","1803.2","1.9","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H32 N2 O4 Sn2 -","- C44 H32 N2 O4 Sn2 -","- C88 H64 N4 O8 Sn4 -","2","0.5","","Tanimura, Kazuya; Tanaka, Kento; Gon, Masayuki; Tanaka, Kazuo","Quadrupolar dinuclear hypervalent tin(iv) compounds with near-infrared emission consisting of Schiff bases based on π-conjugated scaffolds.","Chemical science","2024","15","43","17950","17961","10.1039/d4sc05006a","","","0.71075","MoKα","","0.1589","0.1216","","","0.1581","0.1729","","","","","","1.3","","","","has coordinates,has disorder","296374","2024-12-06","16:31:15",""
"1572865","9.383","0.008","12.3335","0.001","16.264","0.014","80.34","0.02","84.76","0.03","82.51","0.03","1835","2","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H32 N2 O4 Sn2 -","- C44 H32 N2 O4 Sn2 -","- C88 H64 N4 O8 Sn4 -","2","1","","Tanimura, Kazuya; Tanaka, Kento; Gon, Masayuki; Tanaka, Kazuo","Quadrupolar dinuclear hypervalent tin(iv) compounds with near-infrared emission consisting of Schiff bases based on π-conjugated scaffolds.","Chemical science","2024","15","43","17950","17961","10.1039/d4sc05006a","","","0.71075","MoKα","","0.1365","0.0887","","","0.1647","0.1981","","","","","","1.083","","","","has coordinates,has disorder","296374","2024-12-06","16:31:17",""
"1572866","13.3341","0.0007","15.4736","0.0009","16.8028","0.0009","89.148","0.004","68.098","0.004","69.912","0.004","2995.3","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C118 H180 Fe2 N4 O8 P4 Si4 -","- C118 H180 Fe2 N4 O8 P4 Si4 -","- C118 H180 Fe2 N4 O8 P4 Si4 -","1","0.5","","Hendi, Zohreh; Pradhan, Renuka; Rachuy, Katharina; Mahmoudi, Soheil; Pandey, Madhusudan K.; Kushvaha, Saroj Kumar; Herbst-Irmer, Regine; Lourderaj, Upakarasamy; Stalke, Dietmar; Roesky, Herbert W.","Phosphasilene mediated CO activation and deoxygenative homo coupling of CO molecules in reactions with metal carbonyls.","Chemical science","2024","15","45","18888","18895","10.1039/d4sc05491a","","","0.71073","MoKα","","0.0736","0.0585","","","0.1728","0.2052","","","","","","1.015","","","","has coordinates,has disorder","296439","2024-12-06","17:02:16",""
"1572867","18.994","0.002","11.672","0.002","19.431","0.003","90","","118.39","0.02","90","","3789.7","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H61 N2 P Si2 -","- C36 H61 N2 P Si2 -","- C144 H244 N8 P4 Si8 -","4","1","","Hendi, Zohreh; Pradhan, Renuka; Rachuy, Katharina; Mahmoudi, Soheil; Pandey, Madhusudan K.; Kushvaha, Saroj Kumar; Herbst-Irmer, Regine; Lourderaj, Upakarasamy; Stalke, Dietmar; Roesky, Herbert W.","Phosphasilene mediated CO activation and deoxygenative homo coupling of CO molecules in reactions with metal carbonyls.","Chemical science","2024","15","45","18888","18895","10.1039/d4sc05491a","","","0.71073","MoKα","","0.089","0.0514","","","0.1088","0.1232","","","","","","1.05","","","","has coordinates,has disorder","296439","2024-12-06","17:02:19",""
"1572868","14.748","0.002","18.855","0.002","31.225","0.004","90","","90","","90","","8682.8","1.9","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C90 H120 Mo N2 O5 P2 Si2 -","- C90 H120 Mo N2 O5 P2 Si2 -","- C360 H480 Mo4 N8 O20 P8 Si8 -","4","1","","Hendi, Zohreh; Pradhan, Renuka; Rachuy, Katharina; Mahmoudi, Soheil; Pandey, Madhusudan K.; Kushvaha, Saroj Kumar; Herbst-Irmer, Regine; Lourderaj, Upakarasamy; Stalke, Dietmar; Roesky, Herbert W.","Phosphasilene mediated CO activation and deoxygenative homo coupling of CO molecules in reactions with metal carbonyls.","Chemical science","2024","15","45","18888","18895","10.1039/d4sc05491a","","","0.71073","MoKα","","0.0703","0.0436","","","0.0886","0.0994","","","","","","1.043","","","","has coordinates,has disorder","296439","2024-12-06","17:02:19",""
"1572869","14.772","0.002","18.812","0.002","31.181","0.004","90","","90","","90","","8664.9","1.9","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C90 H120 N2 O5 P2 Si2 W -","- C90 H120 N2 O5 P2 Si2 W -","- C360 H480 N8 O20 P8 Si8 W4 -","4","1","","Hendi, Zohreh; Pradhan, Renuka; Rachuy, Katharina; Mahmoudi, Soheil; Pandey, Madhusudan K.; Kushvaha, Saroj Kumar; Herbst-Irmer, Regine; Lourderaj, Upakarasamy; Stalke, Dietmar; Roesky, Herbert W.","Phosphasilene mediated CO activation and deoxygenative homo coupling of CO molecules in reactions with metal carbonyls.","Chemical science","2024","15","45","18888","18895","10.1039/d4sc05491a","","","0.71073","MoKα","","0.0217","0.0207","","","0.05","0.0504","","","","","","1.078","","","","has coordinates,has disorder","296439","2024-12-06","17:02:19",""
"1572870","13.6097","0.0008","13.9046","0.0008","18.5959","0.0011","68.205","0.002","70.537","0.002","81.543","0.002","3079.7","0.3","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H61 Co N6 O25 S2 Tb -","- C54 H61 Co N6 O25 S2 Tb -","- C108 H122 Co2 N12 O50 S4 Tb2 -","2","1","","Gupta, Ruchika; Aashish, ?; Upma, ?; Majumdar, Shubhangi; Chowdhury, Pramit K.; Gupta, Rajeev","Visible light mediated photocatalysis by lanthanide metal-organic frameworks: enhanced specificity and mechanistic insights.","Chemical science","2024","15","45","18952","18968","10.1039/d4sc04105d","","","0.71073","MoKα","","0.0822","0.065","","","0.1682","0.1871","","","","","","1.102","","","","has coordinates,has disorder","296432","2024-12-06","16:59:35",""
"1572871","12.7608","0.001","16.8135","0.0014","17.8856","0.0014","64.977","0.003","78.609","0.003","87.398","0.003","3405.6","0.5","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C51 H40 Co Eu N6 O17 S -","- C51 H40 Co Eu N6 O17 S -","- C102 H80 Co2 Eu2 N12 O34 S2 -","2","1","","Gupta, Ruchika; Aashish, ?; Upma, ?; Majumdar, Shubhangi; Chowdhury, Pramit K.; Gupta, Rajeev","Visible light mediated photocatalysis by lanthanide metal-organic frameworks: enhanced specificity and mechanistic insights.","Chemical science","2024","15","45","18952","18968","10.1039/d4sc04105d","","","0.71073","MoKα","","0.0943","0.0652","","","0.175","0.1933","","","","","","1.042","","","","has coordinates","296432","2024-12-06","16:59:35",""
"1572872","25.58","0.03","37.13","0.03","38.88","0.04","90","","105.151","0.012","90","","35644","6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C168 H92 B3.5 F14 N12 Pd2 -","- C168 H92 B3.5 F14 N12 Pd2 -","- C1344 H736 B28 F112 N96 Pd16 -","8","2","","Drechsler, Christoph; Baksi, Ananya; Platzek, André; Acar, Mert; Holstein, Julian J.; Stein, Christopher J.; Clever, Guido H.","London dispersion driven compaction of coordination cages in the gas-phase - a combined ion mobility and theoretical study.","Chemical science","2024","15","46","19264","19272","10.1039/d4sc04786a","","","0.88561","synchrotron","","0.1964","0.152","","","0.4177","0.4491","","","","","","1.678","","","","has coordinates","296416","2024-12-06","16:51:47",""
"1572873","13.2149","0.0003","5.5084","0.0001","13.7281","0.0004","90","","96.519","0.001","90","","992.85","0.04","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H28 O -","- C26 H28 O -","- C52 H56 O2 -","2","1","","Xin, Shuang; Liao, Jibang; Tang, Qi; Feng, Xiaoming; Liu, Xiaohua","Photoinduced copper-catalyzed asymmetric cyanoalkylalkynylation of alkenes, terminal alkynes, and oximes.","Chemical science","2024","15","44","18557","18563","10.1039/d4sc05642f","","","1.54178","CuKα","","0.0326","0.0304","","","0.0782","0.0793","","","","","","1.066","","","","has coordinates","296360","2024-12-06","16:22:54",""
"1572874","5.57076","0.00008","7.79768","0.00012","42.0452","0.0006","90","","90","","90","","1826.4","0.05","105","2","105","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 O4 -","- C24 H20 O4 -","- C96 H80 O16 -","4","1","","Huang, Shisheng; Luo, Jilong; Chen, Ping; Chen, Jiean; Wang, Zhaofeng","Three-component modular synthesis of chiral 1,3-dioxoles <i>via</i> a Rh-catalyzed carbenic olefination cascade.","Chemical science","2024","15","44","18564","18571","10.1039/d4sc06166g","","","1.54184","CuKα","","0.0334","0.0317","","","0.0792","0.0803","","","","","","1.066","","","","has coordinates","296348","2024-12-06","16:18:28",""
"1572875","10.2369","0.0006","20.4352","0.0012","33.981","0.002","90","","90","","90","","7108.6","0.7","100","2","100","2","","","","","","","","7","F m m m","-F 2 2","69","","","","- C6 H18 Cl4 Cu N2 O3 Si2 -","- C6 H18 Cl4 Cu N2 O3 Si2 -","- C96 H288 Cl64 Cu16 N32 O48 Si32 -","16","0.5","","Dalton, Connor W.; Gannon, Paige M.; Kaminsky, Werner; Reed, Douglas A.","Leveraging Ordered Voids in Microporous Perovskites for Intercalation and Post-Synthetic Modification","Chemical Science","2024","","","","","10.1039/D4SC04378B","","x-ray","0.71073","MoKα","","0.0826","0.079","","","0.1937","0.1966","","","","","","1.234","","","","has coordinates,has disorder","295508","2024-10-16","22:10:28",""
"1572878","8.6718","0.0003","9.0165","0.0003","24.3506","0.0009","90","","90","","90","","1903.96","0.12","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 N2 O3 -","- C24 H18 N2 O3 -","- C96 H72 N8 O12 -","4","1","","Weng, Rui; Zhou, Yuqiao; Zhang, Yaqin; Feng, Xiaoming; Liu, Xiaohua","Catalytic asymmetric Michael and Nef-type sequential reaction of nitroolefin with azlactone to construct oxazole-fused succinimide.","Chemical communications (Cambridge, England)","2024","60","91","13384","13387","10.1039/d4cc04858j","","","1.54178","CuKα","","0.0568","0.0533","","","0.1358","0.1429","","","","","","1.068","","","","has coordinates","296315","2024-12-06","15:27:54",""
"1572879","11.941","0.0004","8.391","0.0003","19.4783","0.0007","90","","107.214","0.004","90","","1864.24","0.12","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-benzoyel-3-(2-chlorophenyl)-2,3-dihydro-4H-furo[3,2-c]chromen-4-one","","- C24 H15 Cl O4 -","- C24 H15 Cl O4 -","- C96 H60 Cl4 O16 -","4","1","","Dey, Sovan; Das, Arindam; Yadav, Ram Naresh; Boruah, Palash Jyoti; Sarkar, Koushik; Paul, Amit Kumar; Hossain, Md Firoj","Electron donor-acceptor complex enabled photocascade strategy for the synthesis of <i>trans</i>-dihydrofuro[3,2-<i>c</i>]chromen-4-one scaffolds <i>via</i> radical conjugate addition of pyridinium ylide.","Chemical communications (Cambridge, England)","2024","60","97","14384","14387","10.1039/d4cc04720f","","x-ray","0.71073","MoKα","","0.0518","0.0437","","","0.1116","0.1189","","","","","","1.061","","","","has coordinates","296263","2024-12-06","14:58:24",""
"1572880","5.0399","0.00008","14.26675","0.00016","15.137","0.0002","82.4456","0.001","83.3581","0.0012","85.9012","0.0011","1069.96","0.03","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","2-(4-bromobenzoyel)-3-(4-dimethylamio)phenyl)-2,3-dihydro-4H-furo[3,2-c]chromen-4-one","","- C26 H20 Br N O4 -","- C26 H20 Br N O4 -","- C52 H40 Br2 N2 O8 -","2","1","","Dey, Sovan; Das, Arindam; Yadav, Ram Naresh; Boruah, Palash Jyoti; Sarkar, Koushik; Paul, Amit Kumar; Hossain, Md Firoj","Electron donor-acceptor complex enabled photocascade strategy for the synthesis of <i>trans</i>-dihydrofuro[3,2-<i>c</i>]chromen-4-one scaffolds <i>via</i> radical conjugate addition of pyridinium ylide.","Chemical communications (Cambridge, England)","2024","60","97","14384","14387","10.1039/d4cc04720f","","x-ray","1.54184","CuKα","","0.0404","0.0394","","","0.1069","0.1079","","","","","","1.049","","","","has coordinates","296263","2024-12-06","14:58:27",""
"1572881","17.0841","0.0008","20.5511","0.001","26.5333","0.0012","73.391","0.002","72.258","0.002","65.634","0.002","7943.6","0.7","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C147.36 H170.13 Au25 N O S18 -","- C147.362 H170.128 Au25 N O S18 -","- C294.724 H340.256 Au50 N2 O2 S36 -","2","1","","Suzuki, Wataru; Takahata, Ryo; Mizuhata, Yoshiyuki; Tokitoh, Norihiro; Xue, Songlin; Teranishi, Toshiharu","Quantitative analysis of air-oxidation reactions of thiolate-protected gold nanoclusters.","Chemical science","2024","15","45","18896","18902","10.1039/d4sc02995j","","","0.71073","MoKα","","0.0444","0.0306","","","0.0648","0.0703","","","","","","1.033","","","","has coordinates,has disorder","296433","2024-12-06","16:59:54",""
"1572882","22.0664","0.0002","18.6023","0.0002","7.6331","0.0001","90","","98.659","0.001","90","","3097.57","0.06","273","0.1","273","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5,10-diphenyl-2,3,7,8-tetra(thiophen-2-yl)pyrazino[2,3-g]quinoxaline","","- C38 H22 N4 S4 -","- C38 H22 N4 S4 -","- C152 H88 N16 S16 -","4","0.5","","Bezboruah, Jasmine; Khator, Kanha Ram; Gayen, Sayantan; Sanke, Devendra Mayurdhwaj; Mahapatra, Biplab; Sahoo, Anshuman; Nayak, Amlandeep; Reddy, C. Malla; Senanayak, Satyaprasad P.; Zade, Sanjio S.","Pyrazinoquinoxaline derivatives for flexible electronic devices: effect of the mechanical properties of the crystals on device durability.","Chemical science","2024","15","45","19000","19012","10.1039/d4sc04157g","","x-ray","1.54184","CuKα","","0.0453","0.0417","","","0.1195","0.1233","","","","","","1.053","","","","has coordinates","296437","2024-12-06","17:01:14",""
"1572883","10.0731","0.0004","12.6282","0.0006","12.997","0.0006","100.54","0.004","105.121","0.004","91.458","0.004","1564.45","0.13","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 F N -","- C21 H15 F N -","- C84 H60 F4 N4 -","4","2","","Yang, Xi; Chen, Jingru; Zhang, Yang; Di, Yiming; Zhang, Guozhen; Chen, Songhua; Chen, Hongming; Lin, Mei-Jin","A hot exciton organic glassy scintillator for high-resolution X-ray imaging.","Chemical science","2024","15","45","18933","18942","10.1039/d4sc05544f","","x-ray","0.71073","MoKα","","0.0905","0.0472","","","0.104","0.1187","","","","","","1.028","","","","has coordinates","296440","2024-12-06","17:02:35",""
"1572884","7.876","0.008","10.166","0.005","21.176","0.013","78.16","0.05","85.41","0.05","86.98","0.05","1653","2","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C43 H34 Cl2 N2 -","- C43 H34 Cl2 N2 -","- C86 H68 Cl4 N4 -","2","1","","Yang, Xi; Chen, Jingru; Zhang, Yang; Di, Yiming; Zhang, Guozhen; Chen, Songhua; Chen, Hongming; Lin, Mei-Jin","A hot exciton organic glassy scintillator for high-resolution X-ray imaging.","Chemical science","2024","15","45","18933","18942","10.1039/d4sc05544f","","","1.54184","CuKα","","0.1097","0.0844","","","0.2186","0.2533","","","","","","1.055","","","","has coordinates","296440","2024-12-06","17:02:35",""
"1572885","14.9838","0.0013","9.3761","0.0009","15.4285","0.0015","90","","90","","90","","2167.5","0.4","150","2","150","2","","","","","","","synthesis as described","4","P b c n","-P 2n 2ab","60","","","","- C28 H18 Br2 O2 -","- C28 H18 Br2 O2 -","- C112 H72 Br8 O8 -","4","0.5","","Cadeddu, Stefano; van den Bersselaar, Bart W. L.; de Waal, Bas; Cordier, Marie; Vanthuyne, Nicolas; Meskers, Stefan C. J.; Vantomme, Ghislaine; Crassous, Jeanne","Engineering circularly polarized light emission in nanostructured oligodimethylsiloxane-helicene chiral materials.","Nanoscale","2024","16","46","21351","21359","10.1039/d4nr03389b","","x-ray","0.71073","MoKα","","0.0443","0.0352","","","0.0627","0.0656","","","","","","1.182","","","","has coordinates","296622","2024-12-06","20:07:51",""
"1572886","38.942","0.007","9.594","0.0016","19.295","0.002","90","","102.551","0.006","90","","7036.5","1.9","150","2","150","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H82 N2 O6 Si6 -","- C68 H82 N2 O6 Si6 -","- C272 H328 N8 O24 Si24 -","4","0.5","","Cadeddu, Stefano; van den Bersselaar, Bart W. L.; de Waal, Bas; Cordier, Marie; Vanthuyne, Nicolas; Meskers, Stefan C. J.; Vantomme, Ghislaine; Crassous, Jeanne","Engineering circularly polarized light emission in nanostructured oligodimethylsiloxane-helicene chiral materials.","Nanoscale","2024","16","46","21351","21359","10.1039/d4nr03389b","","x-ray","0.71073","MoKα","","0.0687","0.0509","","","0.1249","0.1352","","","","","","1.056","","","","has coordinates,has disorder","296622","2024-12-06","20:07:51",""
"1572887","7.383","0.0016","9.1133","0.0011","11.059","0.002","90","","98.63","0.016","90","","735.7","0.2","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Sm -","- C18 H18 Sm -","- C36 H36 Sm2 -","2","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","x-ray","0.71073","MoKα","","0.1172","0.0959","","","0.2434","0.2613","","","","","","1.004","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572888","11.7622","0.0015","13.1214","0.0018","8.6532","0.0011","90","","90","","90","","1335.5","0.3","150.01","","150.01","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 Y -","- C17 H17 Y -","- C68 H68 Y4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.1092","0.0536","","","0.1128","0.137","","","","","","1.017","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572889","12.0063","0.0007","12.8295","0.001","8.8907","0.0006","90","","90","","90","","1369.48","0.16","150","","150.01","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 Pr -","- C17 H17 Pr -","- C68 H68 Pr4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.0771","0.0342","","","0.0608","0.0663","","","","","","0.788","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572890","12.1385","0.0007","12.7452","0.0011","8.9543","0.0011","90","","90","","90","","1385.3","0.2","150","","150","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 La -","- C17.001 H17.001 La -","- C68.004 H68.004 La4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","x-ray","0.71073","MoKα","","0.0378","0.0231","","","0.0537","0.0554","","","","","","0.918","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572891","7.0169","0.0006","8.7585","0.0008","11.156","0.0009","90","","101.791","0.006","90","","671.15","0.1","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 Y -","- C17 H17 Y -","- C68 H68 Y4 -","4","1","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","x-ray","0.71073","MoKα","","0.1367","0.1254","","","0.2668","0.2712","","","","","","1.171","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572892","11.8553","0.0008","13.0113","0.0008","8.7412","0.0006","90","","90","","90","","1348.36","0.15","150","","150.01","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 Gd -","- C17 H17 Gd -","- C68 H68 Gd4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.0643","0.0397","","","0.0866","0.0915","","","","","","0.933","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572893","11.9982","0.0008","12.876","0.0008","8.7824","0.0006","90","","90","","90","","1356.78","0.15","150","","150.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 Sm -","- C17 H17 Sm -","- C68 H68 Sm4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.0631","0.0324","","","0.0679","0.0822","","","","","","1.009","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572894","12.055","0.004","12.777","0.005","8.864","0.003","90","","90","","90","","1365.3","0.8","150.15","","150.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 Pr -","- C17 H17 Pr -","- C68 H68 Pr4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.1319","0.0528","","","0.1097","0.1445","","","","","","1.007","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572895","11.8943","0.0007","12.9414","0.0006","8.8036","0.0006","90","","90","","90","","1355.13","0.14","150","","150.01","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 Sm -","- C17 H17 Sm -","- C68 H68 Sm4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.0561","0.0323","","","0.0697","0.0763","","","","","","0.958","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572896","12.0523","0.0009","12.8172","0.0012","8.9448","0.001","90","","90","","90","","1381.8","0.2","150","","150","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17.01 H17.01 Ce -","- C17.012 H17.012 Ce -","- C68.048 H68.048 Ce4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.0714","0.0329","","","0.0633","0.0692","","","","","","0.917","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572897","11.8081","0.0012","13.0574","0.001","8.669","0.0009","90","","90","","90","","1336.6","0.2","150.02","","150.02","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 Dy -","- C17 H17 Dy -","- C68 H68 Dy4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.055","0.0384","","","0.0776","0.0844","","","","","","1.082","","","","has coordinates","296418","2024-12-06","16:52:32",""
"1572898","12.187","0.003","12.736","0.003","8.974","0.002","90","","90","","90","","1392.9","0.6","150.15","","150.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 La -","- C17 H17 La -","- C68 H68 La4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.0879","0.0363","","","0.0785","0.098","","","","","","1.011","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572899","11.781","0.006","13.017","0.008","8.708","0.005","90","","90","","90","","1335.4","1.3","150","","150.01","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 Tb -","- C17 H17 Tb -","- C68 H68 Tb4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.0726","0.0447","","","0.1093","0.1274","","","","","","1.101","","","","has coordinates","296418","2024-12-06","16:52:32",""
"1572900","11.7641","0.001","13.1227","0.0012","8.6544","0.0009","90","","90","","90","","1336","0.2","150.01","","150.01","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 Ho -","- C17 H17 Ho -","- C68 H68 Ho4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.0615","0.0379","","","0.064","0.0677","","","","","","0.842","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572901","12.0748","0.0018","12.8129","0.0019","8.8427","0.0014","90","","90","","90","","1368.1","0.4","150.15","","150.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 Nd -","- C17 H17 Nd -","- C68 H68 Nd4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.1015","0.0389","","","0.0861","0.1087","","","","","","1.022","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572902","12.1258","0.0014","12.7752","0.0016","8.919","0.001","90","","90","","90","","1381.6","0.3","5","","5","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 Ce -","- C17 H17 Ce -","- C68 H68 Ce4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.0635","0.0267","","","0.0562","0.0676","","","","","","1.009","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572903","11.983","0.002","12.877","0.003","8.8927","0.0017","90","","90","","90","","1372.2","0.5","149.99","","149.99","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 Nd -","- C17 H17 Nd -","- C68 H68 Nd4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.0885","0.0396","","","0.0849","0.1043","","","","","","1.047","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572904","11.9615","0.0015","12.9116","0.0019","8.7283","0.001","90","","90","","90","","1348","0.3","150.01","","150.01","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C17 H17 Gd -","- C17 H17 Gd -","- C68 H68 Gd4 -","4","0.5","","Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory","The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.","Chemical science","2024","15","46","19273","19282","10.1039/d4sc04767b","","","0.71073","MoKα","","0.11","0.0486","","","0.096","0.1171","","","","","","0.997","","","","has coordinates,has disorder","296418","2024-12-06","16:52:32",""
"1572905","16.4316","0.0016","19.567","0.0017","23.352","0.002","108.849","0.005","108.693","0.005","92.157","0.005","6646.6","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C160 H124 Er2 N17 Nd O21 -","- C160 H124 Er2 N17 Nd O21 -","- C320 H248 Er4 N34 Nd2 O42 -","2","1","","Maniaki, Diamantoula; Sickinger, Annika; Barrios, Leoní A; Aguilà, David; Roubeau, Olivier; Guyot, Yannick; Riobé, François; Maury, Olivier; Abad Galán, Laura; Aromí, Guillem","Energy exchange between Nd<sup>3+</sup> and Er<sup>3+</sup> centers within molecular complexes.","Chemical science","2024","15","44","18295","18302","10.1039/d4sc03994g","","","0.71073","MoKα","","0.0833","0.0558","","","0.132","0.1499","","","","","","1.026","","","","has coordinates,has disorder","296356","2024-12-06","16:21:56",""
"1572906","7.6082","0.0004","11.0116","0.0011","10.8744","0.0013","89.49","0.009","98.254","0.007","89.986","0.006","901.57","0.15","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H29 N O5 -","- C21 H29 N O5 -","- C42 H58 N2 O10 -","2","1","","Kage, Mirai; Yamakoshi, Hiroyuki; Tabata, Manami; Ohashi, Eisaku; Noguchi, Kimihiro; Watanabe, Takeshi; Uchida, Manato; Takada, Minetatsu; Ikeuchi, Kazutada; Nakamura, Seiichi","Oxidative generation of isobenzofurans from phthalans: application to the formal synthesis of (±)-morphine.","Chemical science","2024","15","45","19070","19076","10.1039/d4sc05890a","","","0.71073","MoKα","","0.1234","0.1083","","","0.2898","0.3177","","","","","","1.322","","","","has coordinates","296442","2024-12-06","17:03:21",""
"1572907","6.2444","0.0003","9.2125","0.0004","6.7656","0.0003","90","","94.855","0.002","90","","387.81","0.03","100","","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H10 Cl N O -","- C7 H10 Cl N O -","- C14 H20 Cl2 N2 O2 -","2","0.5","","Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Rissanen, Kari; Puttreddy, Rakesh","Dichlorine-pyridine <i>N</i>-oxide halogen-bonded complexes.","Chemical science","2024","15","45","18840","18845","10.1039/d4sc06270a","","","0.71073","MoKα","","0.0312","0.0253","","","0.0621","0.0682","","","","","","1.116","","","","has coordinates,has disorder","296436","2024-12-06","17:00:50",""
"1572908","7.2301","0.0013","7.416","0.002","11.002","0.003","90","","90","","90","","589.9","0.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H6 Cl N O -","- C5 H6 Cl N O -","- C20 H24 Cl4 N4 O4 -","4","1","","Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Rissanen, Kari; Puttreddy, Rakesh","Dichlorine-pyridine <i>N</i>-oxide halogen-bonded complexes.","Chemical science","2024","15","45","18840","18845","10.1039/d4sc06270a","","","0.71073","MoKα","","0.1021","0.0933","","","0.224","0.2335","","","","","","1.107","","","","has coordinates,has disorder","296436","2024-12-06","17:00:51",""
"1572909","6.9789","0.0007","7.1228","0.0006","8.6438","0.0009","90","","92.072","0.004","90","","429.4","0.07","100","","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H9 Cl2 N O -","- C7 H9 Cl2 N O -","- C14 H18 Cl4 N2 O2 -","2","0.5","","Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Rissanen, Kari; Puttreddy, Rakesh","Dichlorine-pyridine <i>N</i>-oxide halogen-bonded complexes.","Chemical science","2024","15","45","18840","18845","10.1039/d4sc06270a","","","0.71073","MoKα","","0.0512","0.0373","","","0.0756","0.0887","","","","","","1.261","","","","has coordinates,has disorder","296436","2024-12-06","17:00:51",""
"1572910","11.8112","0.0005","8.9258","0.0003","17.6828","0.0008","90","","108.178","0.001","90","","1771.16","0.13","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H19 Cl3 N2 O4 -","- C14 H19 Cl3 N2 O4 -","- C56 H76 Cl12 N8 O16 -","4","0.5","","Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Rissanen, Kari; Puttreddy, Rakesh","Dichlorine-pyridine <i>N</i>-oxide halogen-bonded complexes.","Chemical science","2024","15","45","18840","18845","10.1039/d4sc06270a","","","0.71073","MoKα","","0.0414","0.0363","","","0.091","0.0951","","","","","","1.119","","","","has coordinates","296436","2024-12-06","17:00:51",""
"1572911","8.8661","0.0005","10.3264","0.0004","10.6277","0.0006","90","","90","","90","","973.02","0.09","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 Cl N O -","- C9 H14 Cl N O -","- C36 H56 Cl4 N4 O4 -","4","1","","Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Rissanen, Kari; Puttreddy, Rakesh","Dichlorine-pyridine <i>N</i>-oxide halogen-bonded complexes.","Chemical science","2024","15","45","18840","18845","10.1039/d4sc06270a","","","0.71073","MoKα","","0.0213","0.0204","","","0.052","0.0528","","","","","","1.088","","","","has coordinates","296436","2024-12-06","17:00:51",""
"1572912","7.3618","0.0017","8.291","0.002","13.265","0.003","85.903","0.009","88.725","0.007","66.463","0.008","740.4","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H37 Cl3 N4 O4 -","- C28 H37 Cl3 N4 O4 -","- C28 H37 Cl3 N4 O4 -","1","0.5","","Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Rissanen, Kari; Puttreddy, Rakesh","Dichlorine-pyridine <i>N</i>-oxide halogen-bonded complexes.","Chemical science","2024","15","45","18840","18845","10.1039/d4sc06270a","","","0.71073","MoKα","","0.1128","0.06","","","0.1249","0.1578","","","","","","1.059","","","","has coordinates","296436","2024-12-06","17:00:51",""
"1572913","7.7469","0.0004","9.1814","0.0005","13.0548","0.0007","82.272","0.002","80.701","0.002","66.1","0.002","835.32","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H10 Cl N O2 -","- C7 H10 Cl N O2 -","- C28 H40 Cl4 N4 O8 -","4","2","","Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Rissanen, Kari; Puttreddy, Rakesh","Dichlorine-pyridine <i>N</i>-oxide halogen-bonded complexes.","Chemical science","2024","15","45","18840","18845","10.1039/d4sc06270a","","","0.71073","MoKα","","0.0359","0.0269","","","0.061","0.0665","","","","","","1.046","","","","has coordinates","296436","2024-12-06","17:00:51",""
"1572914","6.027","0.003","11.706","0.006","15.295","0.009","71.538","0.019","81.375","0.019","89.527","0.014","1011.1","0.9","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 Cl3 N2 O2 -","- C22 H19 Cl3 N2 O2 -","- C44 H38 Cl6 N4 O4 -","2","1","","Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Rissanen, Kari; Puttreddy, Rakesh","Dichlorine-pyridine <i>N</i>-oxide halogen-bonded complexes.","Chemical science","2024","15","45","18840","18845","10.1039/d4sc06270a","","","0.71073","MoKα","","0.3614","0.1321","","","0.2983","0.438","","","","","","1.086","","","","has coordinates","296436","2024-12-06","17:00:51",""
"1572915","13.8648","0.001","13.76","0.0008","16.1649","0.0015","90","","115.221","0.002","90","","2789.9","0.4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H5 Cl2 N O -","- C5 H5 Cl2 N O -","- C80 H80 Cl32 N16 O16 -","16","2","","Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Rissanen, Kari; Puttreddy, Rakesh","Dichlorine-pyridine <i>N</i>-oxide halogen-bonded complexes.","Chemical science","2024","15","45","18840","18845","10.1039/d4sc06270a","","","0.71073","MoKα","","0.0874","0.0758","","","0.246","0.2593","","","","","","1.282","","","","has coordinates,has disorder","296436","2024-12-06","17:00:51",""
"1572916","7.2228","0.0013","8.5908","0.0016","8.6321","0.0017","68.449","0.006","65.454","0.006","78.43","0.007","452.42","0.15","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H23 Cl3 N2 O2 -","- C16 H23 Cl3 N2 O2 -","- C16 H23 Cl3 N2 O2 -","1","0.5","","Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Rissanen, Kari; Puttreddy, Rakesh","Dichlorine-pyridine <i>N</i>-oxide halogen-bonded complexes.","Chemical science","2024","15","45","18840","18845","10.1039/d4sc06270a","","","0.71073","MoKα","","0.0479","0.0339","","","0.0848","0.0954","","","","","","1.048","","","","has coordinates","296436","2024-12-06","17:00:51",""
"1572917","16.1886","0.0017","9.8424","0.001","16.2722","0.0019","90","","114.734","0.004","90","","2354.9","0.4","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","9,10-bis(4?-methoxyphenyl)-9,10-bis(trifluoromethyl)-9,10-dihydroanthracene","","- C30 H22 F6 O2 -","- C30 H22 F6 O2 -","- C120 H88 F24 O8 -","4","1","","Wu, Kim Jiayi; Tobin, John M.; Ji, Anli; Shi, Yang; Ye, Chunchun; Nichol, Gary S.; Fuoco, Alessio; Longo, Mariagiulia; Jansen, Johannes C.; McKeown, Neil B.","The CF3TMS adduct of anthraquinone as a monomer for making polymers with potential as separation membranes","Polymer Chemistry","2024","15","42","4312","4318","10.1039/D4PY01002G","","","0.71073","MoKα","","0.0381","0.0231","","","0.0285","0.032","","","","","","1.0894","","","","has coordinates","296715","2024-12-06","20:53:45",""
"1572918","8.0774","0.0002","18.4805","0.0005","17.7635","0.0005","90","","99.271","0.001","90","","2617","0.12","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","ThBz-CPC-Ox","","- C38 H21 N2 O P S -","- C38 H21 N2 O P S -","- C152 H84 N8 O4 P4 S4 -","4","1","","Li, Can; Zhou, Wei; Liu, Zhaoxin; Gao, Rong; Mi, Qixi; Ning, Zhijun; Ren, Yi","Non-innocent P-centers in nonbenzenoid polycyclic aromatic molecules with tunable structures and properties.","Chemical science","2024","15","44","18608","18616","10.1039/d4sc05857g","","","1.34138","GaKα","","0.0402","0.0336","","","0.0851","0.088","","","","","","1.032","","","","has coordinates","296357","2024-12-06","16:22:15",""
"1572919","13.6771","0.0008","14.4294","0.0009","14.6848","0.0009","60.57","","84.003","0.002","77.723","0.002","2466.4","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H39 N4 O P S -","- C62 H39 N4 O P S -","- C124 H78 N8 O2 P2 S2 -","2","1","","Li, Can; Zhou, Wei; Liu, Zhaoxin; Gao, Rong; Mi, Qixi; Ning, Zhijun; Ren, Yi","Non-innocent P-centers in nonbenzenoid polycyclic aromatic molecules with tunable structures and properties.","Chemical science","2024","15","44","18608","18616","10.1039/d4sc05857g","","","1.54178","CuKα","","0.0759","0.0707","","","0.1898","0.1949","","","","","","1.049","","","","has coordinates","296357","2024-12-06","16:22:15",""
"1572920","20.9037","0.0014","14.1564","0.0009","21.8058","0.0015","90","","90","","90","","6452.8","0.7","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H21 N2 P S2 -","- C38 H21 N2 P S2 -","- C304 H168 N16 P8 S16 -","8","1","","Li, Can; Zhou, Wei; Liu, Zhaoxin; Gao, Rong; Mi, Qixi; Ning, Zhijun; Ren, Yi","Non-innocent P-centers in nonbenzenoid polycyclic aromatic molecules with tunable structures and properties.","Chemical science","2024","15","44","18608","18616","10.1039/d4sc05857g","","","1.54178","CuKα","","0.0636","0.0628","","","0.1739","0.1754","","","","","","1.064","","","","has coordinates","296357","2024-12-06","16:22:15",""
"1572921","11.486","0.0003","14.0112","0.0004","15.5461","0.0005","79.869","0.001","84.017","0.001","87.229","0.001","2448.3","0.12","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H47 N4 O2 P S -","- C66 H47 N4 O2 P S -","- C132 H94 N8 O4 P2 S2 -","2","1","","Li, Can; Zhou, Wei; Liu, Zhaoxin; Gao, Rong; Mi, Qixi; Ning, Zhijun; Ren, Yi","Non-innocent P-centers in nonbenzenoid polycyclic aromatic molecules with tunable structures and properties.","Chemical science","2024","15","44","18608","18616","10.1039/d4sc05857g","","","1.54178","CuKα","","0.0739","0.0696","","","0.1918","0.1988","","","","","","1.079","","","","has coordinates","296357","2024-12-06","16:22:15",""
"1572922","13.804","0.0002","21.4141","0.0004","11.1906","0.0002","90","","96.056","0.002","90","","3289.48","0.1","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H37 B S4 Si -","- C35 H37 B S4 Si -","- C140 H148 B4 S16 Si4 -","4","1","","Yamada, Kohei; Adachi, Yohei; Ohshita, Joji","Controlling the thermodynamic stability of conformational isomers of bistricyclic aromatic enes by introducing boron and silicon atoms.","Chemical science","2024","15","45","18985","18991","10.1039/d4sc06150k","","x-ray","0.71073","MoKα","","0.0386","0.0311","","","0.075","0.0778","","","","","","1.046","","","","has coordinates","296438","2024-12-06","17:01:32",""
"1572923","8.9658","0.0002","24.7394","0.0005","17.7919","0.0004","90","","98.333","0.002","90","","3904.73","0.15","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H41 B S4 Si -","- C45 H41 B S4 Si -","- C180 H164 B4 S16 Si4 -","4","1","","Yamada, Kohei; Adachi, Yohei; Ohshita, Joji","Controlling the thermodynamic stability of conformational isomers of bistricyclic aromatic enes by introducing boron and silicon atoms.","Chemical science","2024","15","45","18985","18991","10.1039/d4sc06150k","","x-ray","0.71073","MoKα","","0.0559","0.0412","","","0.0915","0.0961","","","","","","1.057","","","","has coordinates","296438","2024-12-06","17:01:33",""
"1572924","9.0376","0.0002","15.9768","0.0004","15.9911","0.0003","98.872","0.002","94.418","0.002","102.867","0.002","2209.16","0.09","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C53 H45 B S4 Si -","- C53 H45 B S4 Si -","- C106 H90 B2 S8 Si2 -","2","1","","Yamada, Kohei; Adachi, Yohei; Ohshita, Joji","Controlling the thermodynamic stability of conformational isomers of bistricyclic aromatic enes by introducing boron and silicon atoms.","Chemical science","2024","15","45","18985","18991","10.1039/d4sc06150k","","x-ray","0.71073","MoKα","","0.0444","0.0353","","","0.0864","0.0899","","","","","","1.046","","","","has coordinates","296438","2024-12-06","17:01:33",""
"1572925","19.117","0.016","19.984","0.01","32.685","0.017","90","","102.54","0.03","90","","12189","14","95","2","95.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C285.82 H340.26 N8 Si4 -","- C285.812 H340.228 N8 Si4 -","- C571.624 H680.456 N16 Si8 -","2","0.5","","Li, Ke; Yoshida, Satoshi; Yakushiji, Ryo; Liu, Xingchi; Ge, Chang; Xu, Zhuofan; Ni, Yong; Ma, Xiaonan; Wu, Jishan; Sato, Sota; Sun, Zhe","Molecular cylinders with donor-acceptor structure and swinging motion.","Chemical science","2024","15","45","18832","18839","10.1039/d4sc05849f","","","0.9","synchrotron","","0.1282","0.0928","","","0.2595","0.3038","","","","","","1.148","","","","has coordinates,has disorder","296434","2024-12-06","17:00:10",""
"1572926","13.6277","0.0004","14.8406","0.0004","20.3507","0.0005","98.3","0.002","93.13","0.002","116.152","0.003","3623.2","0.2","110","0.1","110","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C84 H82 O3 P4 Pd4 -","- C84 H82 O3 P4 Pd4 -","- C168 H164 O6 P8 Pd8 -","2","1","","Husbands, David R.; Tanner, Theo; Whitwood, Adrian C.; Hodnett, Neil S.; Wheelhouse, Katherine M. P.; Fairlamb, Ian J. S.","The ubiquitous P(<i>o</i>-tol)<sub>3</sub> ligand promotes formation of catalytically-active higher order palladacyclic clusters.","Chemical science","2024","15","44","18627","18633","10.1039/d4sc05346j","","x-ray","1.54184","CuKα","","0.0378","0.0308","","","0.074","0.0777","","","","","","1.025","","","","has coordinates","296358","2024-12-06","16:22:35",""
"1572927","13.9903","0.0002","15.1118","0.0002","19.6632","0.0003","82.3154","0.0014","83.154","0.0013","82.3315","0.0013","4061.19","0.1","110","0.1","110","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C86.91 H86.4 Cl4.87 O P4 Pd4 -","- C86.911 H86.412 Cl4.872 O P4 Pd4 -","- C173.822 H172.824 Cl9.744 O2 P8 Pd8 -","2","1","","Husbands, David R.; Tanner, Theo; Whitwood, Adrian C.; Hodnett, Neil S.; Wheelhouse, Katherine M. P.; Fairlamb, Ian J. S.","The ubiquitous P(<i>o</i>-tol)<sub>3</sub> ligand promotes formation of catalytically-active higher order palladacyclic clusters.","Chemical science","2024","15","44","18627","18633","10.1039/d4sc05346j","","x-ray","1.54184","CuKα","","0.0374","0.0326","","","0.0847","0.0874","","","","","","1.025","","","","has coordinates,has disorder","296358","2024-12-06","16:22:35",""
"1572928","15.0801","0.0003","15.0825","0.0003","16.2726","0.0002","79.726","0.001","74.132","0.001","63.091","0.002","3168.19","0.11","110","0.1","110","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C63 H60 B2 F O5 P3 Pd4 -","- C63 H60 B2 F O5 P3 Pd4 -","- C126 H120 B4 F2 O10 P6 Pd8 -","2","1","","Husbands, David R.; Tanner, Theo; Whitwood, Adrian C.; Hodnett, Neil S.; Wheelhouse, Katherine M. P.; Fairlamb, Ian J. S.","The ubiquitous P(<i>o</i>-tol)<sub>3</sub> ligand promotes formation of catalytically-active higher order palladacyclic clusters.","Chemical science","2024","15","44","18627","18633","10.1039/d4sc05346j","","x-ray","1.54184","CuKα","","0.0469","0.0376","","","0.1006","0.1056","","","","","","1.052","","","","has coordinates,has disorder","296358","2024-12-06","16:22:35",""
"1572929","15.4929","0.0002","20.2644","0.0003","32.5025","0.0005","75.5537","0.0014","85.6199","0.0013","84.3876","0.0013","9820","0.3","110","0.1","110","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C94 H104 O6 P5 Pd6 -","- C94 H104 O6 P5 Pd6 -","- C376 H416 O24 P20 Pd24 -","4","2","","Husbands, David R.; Tanner, Theo; Whitwood, Adrian C.; Hodnett, Neil S.; Wheelhouse, Katherine M. P.; Fairlamb, Ian J. S.","The ubiquitous P(<i>o</i>-tol)<sub>3</sub> ligand promotes formation of catalytically-active higher order palladacyclic clusters.","Chemical science","2024","15","44","18627","18633","10.1039/d4sc05346j","","x-ray","1.54184","CuKα","","0.075","0.0645","","","0.1806","0.189","","","","","","1.046","","","","has coordinates,has disorder","296358","2024-12-06","16:22:35",""
"1572930","14.0778","0.0003","15.5286","0.0003","31.7803","0.0004","79.873","0.001","77.515","0.001","64.584","0.002","6099.4","0.2","100","0.13","100","0.13","","","","","","","synthesis","6","P -1","-P 1","2","","","","- C60 H72 N3 O3 Pd3 Se3 -","- C60 H72 N3 O3 Pd3 Se3 -","- C240 H288 N12 O12 Pd12 Se12 -","4","2","","Sarkar, Prasenjit; Manamel, Litty Thomas; Saha, Puranjay; Jana, Chinmay; Sarmah, Amrit; Mohanan, Kannan Udaya; Das, Bikas C.; Mukherjee, Chandan","A Triradical-Containing Trinuclear Pd(II) Complex: Spin-Polarized Electronic Transmission, Analog Resistive Switching and Neuromorphic Advancements","Materials Horizons","2024","","","","","10.1039/D4MH00928B","","x-ray","0.71073","MoKα","","0.0594","0.0473","","","0.1126","0.1192","","","","","","1.045","","","","has coordinates","295603","2024-10-24","01:29:24",""
"1572931","15.8412","0.0018","3.9132","0.0004","28.452","0.003","90","","102.031","0.003","90","","1725","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H11 B S4 -","- C22 H11 B S4 -","- C88 H44 B4 S16 -","4","1","","Du, Baoyun; Wu, Yuliang; Wang, Xingdong; Tian, Hongkun; Shao, Shiyang; Wang, Lixiang","Multi-resonance emitters with room-temperature phosphorescence in amorphous state and excited by visible light.","Chemical science","2024","15","46","19432","19442","10.1039/d4sc05383d","","","0.71073","MoKα","","0.105","0.0969","","","0.2766","0.2846","","","","","","1.105","","","","has coordinates","296413","2024-12-06","16:50:19",""
"1572932","3.9616","0.0002","19.677","0.0011","19.981","0.0009","90","","90","","90","","1557.57","0.14","301","2","301","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H11 B S3 -","- C20 H11 B S3 -","- C80 H44 B4 S12 -","4","1","","Du, Baoyun; Wu, Yuliang; Wang, Xingdong; Tian, Hongkun; Shao, Shiyang; Wang, Lixiang","Multi-resonance emitters with room-temperature phosphorescence in amorphous state and excited by visible light.","Chemical science","2024","15","46","19432","19442","10.1039/d4sc05383d","","","0.71073","MoKα","","0.1268","0.0585","","","0.1252","0.1575","","","","","","1.007","","","","has coordinates","296413","2024-12-06","16:50:19",""
"1572933","13.507","0.001","7.4267","0.0005","19.947","0.0015","90","","90","","90","","2000.9","0.3","293","2","293","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C11 H5.5 B0.5 S2 -","- C11 H5.5 B0.5 S2 -","- C88 H44 B4 S16 -","8","1","","Du, Baoyun; Wu, Yuliang; Wang, Xingdong; Tian, Hongkun; Shao, Shiyang; Wang, Lixiang","Multi-resonance emitters with room-temperature phosphorescence in amorphous state and excited by visible light.","Chemical science","2024","15","46","19432","19442","10.1039/d4sc05383d","","","0.71073","MoKα","","0.0666","0.0449","","","0.1105","0.122","","","","","","0.995","","","","has coordinates","296413","2024-12-06","16:50:19",""
"1572934","18.0631","0.0008","7.556","0.0003","22.9236","0.0011","90","","90","","90","","3128.7","0.2","281","2","281","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H11 B S3 -","- C20 H11 B S3 -","- C160 H88 B8 S24 -","8","1","","Du, Baoyun; Wu, Yuliang; Wang, Xingdong; Tian, Hongkun; Shao, Shiyang; Wang, Lixiang","Multi-resonance emitters with room-temperature phosphorescence in amorphous state and excited by visible light.","Chemical science","2024","15","46","19432","19442","10.1039/d4sc05383d","","","0.71073","MoKα","","0.0371","0.0305","","","0.0832","0.0893","","","","","","1.007","","","","has coordinates","296413","2024-12-06","16:50:19",""
"1572935","50.501","0.011","14.437","0.003","20.652","0.005","90","","110.306","0.006","90","","14121","5","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H34 B N S4 -","- C42 H34 B N S4 -","- C672 H544 B16 N16 S64 -","16","2","","Du, Baoyun; Wu, Yuliang; Wang, Xingdong; Tian, Hongkun; Shao, Shiyang; Wang, Lixiang","Multi-resonance emitters with room-temperature phosphorescence in amorphous state and excited by visible light.","Chemical science","2024","15","46","19432","19442","10.1039/d4sc05383d","","","0.71073","MoKα","","0.1531","0.077","","","0.1842","0.2362","","","","","","1.056","","","","has coordinates,has disorder","296413","2024-12-06","16:50:19",""
"1572936","12.5062","0.001","13.0995","0.0013","22.288","0.002","96.768","0.003","96.462","0.003","90.512","0.003","3601.9","0.6","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H68 B2 N2 S8 -","- C84 H68 B2 N2 S8 -","- C168 H136 B4 N4 S16 -","2","1","","Du, Baoyun; Wu, Yuliang; Wang, Xingdong; Tian, Hongkun; Shao, Shiyang; Wang, Lixiang","Multi-resonance emitters with room-temperature phosphorescence in amorphous state and excited by visible light.","Chemical science","2024","15","46","19432","19442","10.1039/d4sc05383d","","","0.71073","MoKα","","0.0718","0.0508","","","0.1425","0.1539","","","","","","1.08","","","","has coordinates,has disorder","296413","2024-12-06","16:50:19",""
"1572937","20.74","0.004","4.425","0.0009","18.376","0.004","90","","94.79","0.03","90","","1680.6","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 N6 -","- C21 H14 N6 -","- C84 H56 N24 -","4","0.5","","Virtue, Jemma I.; Tsoukatos, Steven; Johnston, Martin R.; Bloch, Witold M.","Halide-triggered assembly and selective bisulfate recognition in a quadruply interlocked coordination cage.","Chemical science","2024","15","45","19119","19125","10.1039/d4sc04913f","","","0.71073","Synchrotron","","0.0683","0.0608","","","0.1726","0.18","","","","","","1.093","","","","has coordinates","296441","2024-12-06","17:03:10",""
"1572938","16.859","0.003","23.453","0.005","17.529","0.01","90","","90.35","0.03","90","","6931","4","100","2","100","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C122 H113 B3 F12 N43 Pd2 -","- C100 H80 B3 F12 N32 Pd2 -","- C200 H160 B6 F24 N64 Pd4 -","2","0.25","","Virtue, Jemma I.; Tsoukatos, Steven; Johnston, Martin R.; Bloch, Witold M.","Halide-triggered assembly and selective bisulfate recognition in a quadruply interlocked coordination cage.","Chemical science","2024","15","45","19119","19125","10.1039/d4sc04913f","","","0.71073","MoKα","","0.0621","0.0534","","","0.1563","0.1629","","","","","","0.984","","","","has coordinates,has disorder","296441","2024-12-06","17:03:10",""
"1572939","14.864","0.003","57.355","0.012","27.051","0.005","90","","90","","90","","23062","8","100","2","100","2","","","","","","","","8","C c c 2","C 2 -2c","37","","","","- C187 H136 B7 Br Cl27 F28 N53 Pd4 -","- C172 H116 B7 Br Cl12 F28 N48 Pd4 -","- C688 H464 B28 Br4 Cl48 F112 N192 Pd16 -","4","0.5","","Virtue, Jemma I.; Tsoukatos, Steven; Johnston, Martin R.; Bloch, Witold M.","Halide-triggered assembly and selective bisulfate recognition in a quadruply interlocked coordination cage.","Chemical science","2024","15","45","19119","19125","10.1039/d4sc04913f","","","0.71073","Synchrotron","","0.0904","0.0784","","","0.2322","0.2491","","","","","","1.052","","","","has coordinates,has disorder","296441","2024-12-06","17:03:10",""
"1572940","14.977","0.003","27.843","0.006","49.372","0.01","90","","90","","90","","20588","7","100","2","100","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C182 H130 B Cl27 F4 N51.5 O20.25 Pd4 -","- C172 H116 B Cl18 F4 N48 O20 Pd4 -","- C688 H464 B4 Cl72 F16 N192 O80 Pd16 -","4","0.5","","Virtue, Jemma I.; Tsoukatos, Steven; Johnston, Martin R.; Bloch, Witold M.","Halide-triggered assembly and selective bisulfate recognition in a quadruply interlocked coordination cage.","Chemical science","2024","15","45","19119","19125","10.1039/d4sc04913f","","","0.71073","Synchrotron","","0.1612","0.0949","","","0.2667","0.3166","","","","","","1.041","","","","has coordinates,has disorder","296441","2024-12-06","17:03:10",""
"1572941","14.916","0.003","27.009","0.005","58.19","0.012","90","","90","","90","","23443","8","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C379 H277 B14 Cl71 F56 N106 Pd8 -","- C339 H227 B14 Cl11 F56 N96 Pd8 -","- C678 H454 B28 Cl22 F112 N192 Pd16 -","2","0.25","","Virtue, Jemma I.; Tsoukatos, Steven; Johnston, Martin R.; Bloch, Witold M.","Halide-triggered assembly and selective bisulfate recognition in a quadruply interlocked coordination cage.","Chemical science","2024","15","45","19119","19125","10.1039/d4sc04913f","","","0.71073","Synchrotron","","0.1433","0.1212","","","0.4093","0.4229","","","","","","1.605","","","","has coordinates,has disorder","296441","2024-12-06","17:03:10",""
"1572942","8.5111","0.0003","11.2673","0.0004","12.0154","0.0005","90.902","0.002","99.837","0.002","110.12","0.002","1062.56","0.07","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H10 O2 S2 -","- C11 H10 O2 S2 -","- C44 H40 O8 S8 -","4","2","","Stühler, Merlin R; Kreische, Marie; Fornacon-Wood, Christoph; Rupf, Susanne M.; Langer, Robert; Plajer, Alex J.","Monomer centred selectivity guidelines for sulfurated ring-opening copolymerisations.","Chemical science","2024","15","45","19029","19036","10.1039/d4sc05858e","","","0.71073","MoKα","","0.0609","0.0381","","","0.0812","0.0999","","","","","","1.114","","","","has coordinates","296431","2024-12-06","16:59:17",""
"1572943","12.7916","0.0004","16.6444","0.0004","32.545","0.001","90","","97.104","0.003","90","","6875.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C75 H58 Cl Dy2 N9 O15 -","- C75 H58 Cl Dy2 N9 O15 -","- C300 H232 Cl4 Dy8 N36 O60 -","4","1","","Repollés, Ana; Pallarés, María Carmen; Aguilà, David; Roubeau, Olivier; Velasco, Veronica; Gella, Diego; BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Martinez Perez, Maria Jose; Sese, Javier; Drung, Dietmar; Martínez, Jesús Ignacio; Schurig, Thomas; Le Guennic, Boris; Lostao, Anabel; Aromi, Guillem; Luis, Fernando","Asymmetric [Dy2] molecules deposited into micro-SQUID susceptometers: in-situ characterization of their magnetic integrity","Nanoscale","2024","","","","","10.1039/D4NR03484H","","","0.71073","MoKα","","0.1056","0.0578","","","0.0976","0.1126","","","","","","1.026","","","","has coordinates","295617","2024-10-25","00:07:15",""
"1572944","14.533","0.004","15.8767","0.0013","32.939","0.004","90","","91.083","0.015","90","","7599","2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78.75 H60.75 Dy La N10.75 O19 -","- C75 H57 Dy La N10 O19 -","- C300 H228 Dy4 La4 N40 O76 -","4","1","","Repollés, Ana; Pallarés, María Carmen; Aguilà, David; Roubeau, Olivier; Velasco, Veronica; Gella, Diego; BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Martinez Perez, Maria Jose; Sese, Javier; Drung, Dietmar; Martínez, Jesús Ignacio; Schurig, Thomas; Le Guennic, Boris; Lostao, Anabel; Aromi, Guillem; Luis, Fernando","Asymmetric [Dy2] molecules deposited into micro-SQUID susceptometers: in-situ characterization of their magnetic integrity","Nanoscale","2024","","","","","10.1039/D4NR03484H","","","0.71073","MoKα","","0.116","0.0611","","","0.1285","0.1535","","","","","","1.01","","","","has coordinates","295617","2024-10-25","00:07:18",""
"1572945","11.0896","0.0006","12.0006","0.0007","22.7952","0.0013","90","","90","","90","","3033.6","0.3","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H32 N O5 P Pd S -","- C33 H32 N O5 P Pd S -","- C132 H128 N4 O20 P4 Pd4 S4 -","4","1","","Li, Yong-Qing; Cao, Gui-Ping; Cao, Yu-Cai","Enhanced mechanical properties of acrylate and 5-vinyl-2-norbornene-based ethylene terpolymers: rational design and synthesis using remotely modulated phosphine–sulfonate palladium complexes","Polymer Chemistry","2024","15","45","4662","4672","10.1039/D4PY00722K","","","1.34139","GaKα","","0.0215","0.0215","","","0.0567","0.0568","","","","","","1.093","","","","has coordinates","296717","2024-12-06","20:54:15",""
"1572946","17.077","0.003","19.687","0.004","20.582","0.004","90","0.03","91.1","0.03","90","0.03","6918","2","193","","193","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C76 H69 N2 O10 P2 Pd2 S2 -","- C76 H68 N2 O10 P2 Pd2 S2 -","- C304 H272 N8 O40 P8 Pd8 S8 -","4","1","","Li, Yong-Qing; Cao, Gui-Ping; Cao, Yu-Cai","Enhanced mechanical properties of acrylate and 5-vinyl-2-norbornene-based ethylene terpolymers: rational design and synthesis using remotely modulated phosphine–sulfonate palladium complexes","Polymer Chemistry","2024","15","45","4662","4672","10.1039/D4PY00722K","","","0.71073","MoKα","","0.3259","0.1906","","","0.3829","0.4786","","","","","","1.438","","","","has coordinates","296717","2024-12-06","20:54:16",""
"1572947","46.5945","0.0013","13.9309","0.0004","23.4225","0.0007","90","","104.053","0.001","90","","14748.6","0.7","123","2","123","2","","","","","","","","4","C 1 2 1","C 2y","5","Lopinavir–ethane-1,2-diol–water (8/3/7)","(2<i>S</i>)-<i>N</i>-[(2<i>S</i>,4<i>S</i>,5<i>S</i>)-5-[2-(2,6-Dimethylphenoxy)acetamido]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide–ethane-1,2-diol–water (8/2/1/7)","","- C302 H416 N32 O53 -","- C302 H416 N32 O53 -","- C604 H832 N64 O106 -","2","0.5","EX2081","Mokoto, Tebogo M. L.; Lemmerer, Andreas; Sayed, Yasien; Smith, Mark G.","Structural multiplicity in a solvated hydrate of the antiretroviral protease inhibitor Lopinavir","Acta Crystallographica Section E Crystallographic Communications","2024","80","11","1206","1209","10.1107/S2056989024004158","","x-ray","1.54178","CuKα","","0.0424","0.0382","","","0.0955","0.099","","","","","","1.027","","","","has coordinates,has disorder","296770","2024-12-07","17:09:31",""
"1572948","10.4571","0.0005","13.9115","0.0005","18.5703","0.001","90","","100.372","0.005","90","","2657.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorido[2-(4-nitrophenyl)-4-phenylquinolin-8-olato]zinc(II)","","- C27 H29 Cl2 N3 O3 Zn -","- C27 H29 Cl2 N3 O3 Zn -","- C108 H116 Cl8 N12 O12 Zn4 -","4","1","OO2008","Le Thi Hong, Hai; Nguyen, Hien; Trinh Hong, Duong; Nguyen Hoang, Ninh; Nguyen Nhat, Khanh; Van Meervelt, Luc","Crystal structures and photophysical properties of mono- and dinuclear ZnII complexes flanked by triethylammonium","Acta Crystallographica Section E Crystallographic Communications","2024","80","11","1210","1216","10.1107/S2056989024010302","","x-ray","0.71073","MoKα","","0.0623","0.0433","","","0.1012","0.1133","","","","","","1.029","","","","has coordinates","296775","2024-12-07","17:10:34",""
"1572949","11.9843","0.0009","13.457","0.0007","11.9944","0.0011","90","","103.838","0.009","90","","1878.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(triethylammonium) {2,2'-[1,4-phenylenebis(nitrilomethylidyne)]diphenolato}bis[dichloridozinc(II)]","","- C32 H46 Cl4 N4 O2 Zn2 -","- C32 H46 Cl4 N4 O2 Zn2 -","- C64 H92 Cl8 N8 O4 Zn4 -","2","0.5","OO2008","Le Thi Hong, Hai; Nguyen, Hien; Trinh Hong, Duong; Nguyen Hoang, Ninh; Nguyen Nhat, Khanh; Van Meervelt, Luc","Crystal structures and photophysical properties of mono- and dinuclear ZnII complexes flanked by triethylammonium","Acta Crystallographica Section E Crystallographic Communications","2024","80","11","1210","1216","10.1107/S2056989024010302","","x-ray","0.71073","MoKα","","0.0743","0.0525","","","0.1389","0.1575","","","","","","1.053","","","","has coordinates","296775","2024-12-07","17:10:34",""
"1572950","10.0737","0.0005","11.1039","0.0006","11.5835","0.0006","107.025","0.004","114.263","0.004","93.898","0.004","1102.82","0.11","123","2","123","","","","","","","","","4","P -1","-P 1","2","","2-(3,4,5-Triphenylphenyl)acetic acid acetonitrile monosolvate","","- C28 H23 N O2 -","- C28 H23 N O2 -","- C56 H46 N2 O4 -","2","1","JY2053","Seidel, Pierre; Gottwald, Franziska; Meier, Eric; Mazik, Monika","Crystal structure of an acetonitrile solvate of 2-(3,4,5-triphenylphenyl)acetic acid","Acta Crystallographica Section E Crystallographic Communications","2024","80","11","1198","1201","10.1107/S2056989024009976","","x-ray","0.71073","MoKα","","0.0551","0.0396","","","0.0993","0.1056","","","","","","1.066","","","","has coordinates,has disorder","296779","2024-12-07","17:11:09",""
"1572951","10.2557","0.0005","8.3978","0.0005","13.7681","0.0007","90","","91.422","0.004","90","","1185.42","0.11","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>trans</i>-2,5-Dimethylpiperazine-1,4-diium dihydrogen diphosphate","","- C6 H18 N2 O7 P2 -","- C6 H18 N2 O7 P2 -","- C24 H72 N8 O28 P8 -","4","0.5","HB8111","Mrad, Houda; Elboulali, Adel; Baptiste, Benoît; Akriche, Samah","Synthesis and structure of trans-2,5-dimethylpiperazine-1,4-diium dihydrogen diphosphate","Acta Crystallographica Section E Crystallographic Communications","2024","80","11","1202","1205","10.1107/S2056989024010132","","x-ray","0.71073","MoKα","","0.0601","0.0405","","","0.0904","0.1034","","","","","","1.045","","","","has coordinates","296783","2024-12-07","17:11:47",""
"1572952","4.9435","0.0002","14.2798","0.0005","23.1247","0.0009","90","","95.512","0.002","90","","1624.88","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>',<i>N</i>''-Tricyclopropylbenzene-1,3,5-tricarboxamide","","- C18 H21 N3 O3 -","- C18 H21 N3 O3 -","- C72 H84 N12 O12 -","4","1","EX2087","Stapf, Manuel; Miyyapuram, Venugopal Rao; Seichter, Wilhelm; Mazik, Monika","Crystal structure of N,N′,N′′-tricyclopropylbenzene-1,3,5-tricarboxamide","Acta Crystallographica Section E Crystallographic Communications","2024","80","11","1194","1197","10.1107/S2056989024009800","","","0.71073","MoKα","","0.0539","0.0395","","","0.0925","0.1011","","","","","","1.019","","","","has coordinates,has disorder","296784","2024-12-07","17:11:57",""
"1572953","7.6472","0.0002","10.418","0.0003","12.7214","0.0003","77.288","0.001","77.649","0.001","75.4","0.001","943.16","0.04","105","2","104.95","","","","","","","","","5","P -1","-P 1","2","","Hexaaquanickel(II) dichloride–1,4,7,10,13,16-hexaoxacyclooctadecane–water (1/2/2)","","- C12 H32 Cl Ni0.5 O10 -","- C12 H32 Cl Ni0.5 O10 -","- C24 H64 Cl2 Ni O20 -","2","1","OI2011","Brannon, Jacob P.; Liang, Kevin; Stieber, S. Chantal E.","Crystal structure of [Ni(OH2)6]Cl2·(18-crown-6)2·2H2O","Acta Crystallographica Section E Crystallographic Communications","2024","80","11","1190","1193","10.1107/S2056989024010041","","","0.71073","MoKα","","0.0226","0.0216","","","0.0548","0.0556","","","","","","1.052","","","","has coordinates","296785","2024-12-07","17:12:18",""
"1572954","6.5088","0.0006","5.1758","0.0005","12.2175","0.0014","90","","101.649","0.01","90","","403.11","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-Chloro-<i>N</i>-(4-hydroxyphenyl)acetamide","","- C8 H8 Cl N O2 -","- C8 H8 Cl N O2 -","- C16 H16 Cl2 N2 O4 -","2","1","TK4111","El Moutaouakil Ala Allah, Abderrazzak; Kariuki, Benson M.; Ameziane El Hassani, Issam; Alsubari, Abdulsalam; Guerrab, Walid; A. Said, Musa; Ramli, Youssef","","","2024","","","","","10.1107/S2414314624010150","","","0.71073","MoKα","","0.06","0.039","","","0.0694","0.0809","","","","","","1.061","","","","has coordinates","295626","2024-10-25","02:03:47",""
"1572955","16.565","0.002","9.7051","0.0013","19.708","0.003","90","","99.376","0.007","90","","3126","0.7","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","<i>meso</i>-5,15-Bis[3-(isopropylidenegalactopyranoxy)phenyl]-\ 10,20-bis(4-methylphenyl)porphyrin","<i>meso</i>-5,15-Bis{4-[{4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^2,6^]dodecan-8-yl)methoxy]phenyl}-10,20-bis(4-methylphenyl)porphyrin","","- C70 H70 N4 O12 -","- C70 H70 N4 O12 -","- C140 H140 N8 O24 -","2","1","BT4156","Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F.","","","2024","","","","","10.1107/S2414314624010289","","","0.71075","MoKα","","0.235","0.0823","","","0.139","0.186","","","","","","0.93","","","","has coordinates","295627","2024-10-25","02:04:31",""
"1572956","10.1243","0.0004","23.941","0.001","7.5053","0.0003","90","","91.315","0.003","90","","1818.7","0.13","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-<i>N</i>-(2,6-Diisopropylphenyl)-1-[(2-methoxyphenyl)amino]methanimine oxide","","- C20 H26 N2 O2 -","- C20 H26 N2 O2 -","- C80 H104 N8 O8 -","4","1","TK4110","Juma, David O.; Omondi, Bernard; Zamisa, Sizwe J.; Munzeiwa, Wisdom","","","2024","","","","","10.1107/S241431462400988X","","","0.71073","MoKα","","0.0747","0.0436","","","0.0954","0.1077","","","","","","1.033","","","","has coordinates","295628","2024-10-25","02:04:50",""
"1572958","11.9372","0.0002","14.3092","0.0002","8.8637","0.0001","90","","90","","90","","1514.02","0.04","250","2","250","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C6 H26 Cl2 Mn N6 O -","- C6 H26 Cl2 Mn N6 O -","- C24 H104 Cl8 Mn4 N24 O4 -","4","0.5","","Radoń, Mariusz; Drabik, Gabriela; Hodorowicz, Maciej; Szklarzewicz, Janusz","Performance of Quantum Chemistry Methods for Benchmark Set of Spin–State Energetics Derived from Experimental Data of 17 Transition Metal Complexes (SSE17)","Chemical Science","2024","","","","","10.1039/D4SC05471G","","x-ray","0.71073","MoKα","","0.0303","0.0238","","","0.0632","0.0658","","","","","","1.054","","","","has coordinates","295655","2024-10-28","23:07:30",""
"1572959","4.72942","","10.1528","","5.94525","","90","","90","","90","","285.472","","","","","","","","","","","","computation","3","P 1","P 1","1","magnesium silicate","magnesium silicate","forsterite","- Mg8 O16 Si4 -","- Mg8 O16 Si4 -","- Mg8 O16 Si4 -","1","1","","Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.","Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.","IUCrJ","2024","11","6","","","10.1107/S2052252524009722","","","","","","","","","","","","","","","","","","","","","has coordinates","295660","2024-10-29","02:56:10",""
"1572960","4.756","","10.2035","","5.983","","90","","90","","90","","290.342","","","","","","","","","","","","computation","3","P 1","P 1","1","magnesium silicate","magnesium silicate","forsterite","- Mg8 O16 Si4 -","- Mg8 O16 Si4 -","- Mg8 O16 Si4 -","1","1","","Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.","Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.","IUCrJ","2024","11","6","","","10.1107/S2052252524009722","","","","","","","","","","","","","","","","","","","","","has coordinates","295660","2024-10-29","02:56:13",""
"1572961","9.5166","","10.2043","","11.9748","","90","","90","","90","","1162.88","","","","","","","","","","","","computation","3","P 1","P 1","1","magnesium silicate","magnesium silicate","forsterite","- Mg33 O64 Si16 -","- Mg33 O64 Si16 -","- Mg33 O64 Si16 -","1","1","","Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.","Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.","IUCrJ","2024","11","6","","","10.1107/S2052252524009722","","","","","","","","","","","","","","","","","","","","","has coordinates","295660","2024-10-29","02:56:24",""
"1572962","9.5167","","10.2047","","11.9746","","90","","90","","90","","1162.91","","","","","","","","","","","","computation","3","P 1","P 1","1","magnesium silicate","magnesium silicate","forsterite","- Mg33 O64 Si16 -","- Mg33 O64 Si16 -","- Mg33 O64 Si16 -","1","1","","Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.","Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.","IUCrJ","2024","11","6","","","10.1107/S2052252524009722","","","","","","","","","","","","","","","","","","","","","has coordinates","295660","2024-10-29","02:56:26",""
"1572963","9.517","","10.2042","","11.9739","","90","","90","","90","","1162.83","","","","","","","","","","","","computation","3","P 1","P 1","1","magnesium silicate","magnesium silicate","forsterite","- Mg32 O65 Si16 -","- Mg32 O65 Si16 -","- Mg32 O65 Si16 -","1","1","","Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.","Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.","IUCrJ","2024","11","6","","","10.1107/S2052252524009722","","","","","","","","","","","","","","","","","","","","","has coordinates","295660","2024-10-29","02:56:26",""
"1572964","9.5164","","10.2043","","11.975","","90","","90","","90","","1162.87","","","","","","","","","","","","computation","3","P 1","P 1","1","magnesium silicate","magnesium silicate","forsterite","- Mg32 O64 Si17 -","- Mg32 O64 Si17 -","- Mg32 O64 Si17 -","1","1","","Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.","Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.","IUCrJ","2024","11","6","","","10.1107/S2052252524009722","","","","","","","","","","","","","","","","","","","","","has coordinates","295660","2024-10-29","02:56:27",""
"1572965","9.5166","","10.2044","","11.9744","","90","","90","","90","","1162.85","","","","","","","","","","","","computation","3","P 1","P 1","1","magnesium silicate","magnesium silicate","forsterite","- Mg32 O63 Si16 -","- Mg32 O63 Si16 -","- Mg32 O63 Si16 -","1","1","","Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.","Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.","IUCrJ","2024","11","6","","","10.1107/S2052252524009722","","","","","","","","","","","","","","","","","","","","","has coordinates","295660","2024-10-29","02:56:27",""
"1572966","4.7542","0.0005","10.2048","0.0013","5.9839","0.0007","90","","90","","90","","290.31","0.06","295","2","295","2","","","","","","","synthetic","3","P b n m","-P 2c 2ab","62","magnesium silicate","magnesium silicate","forsterite","- Mg2 O4 Si -","- Mg2 O4 Si -","- Mg8 O16 Si4 -","4","0.5","","Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.","Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.","IUCrJ","2024","11","6","","","10.1107/S2052252524009722","powder diffraction","x-ray","1.5406","CuKα","","0.4142","","","","","","","","1.24","","","","","","","has coordinates","295660","2024-10-29","02:56:27",""
"1572967","4.7523","0.0002","10.2027","0.0004","5.9821","0.0002","90","","90","","90","","290.05","0.019","295","2","295","2","","","","","","","synthetic","3","P b n m","-P 2c 2ab","62","magnesium silicate","magnesium silicate","forsterite","- Mg2 O4 Si -","- Mg2 O4 Si -","- Mg8 O16 Si4 -","4","0.5","","Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.","Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.","IUCrJ","2024","11","6","","","10.1107/S2052252524009722","powder diffraction","x-ray","1.5406","CuKα","","0.5456","","","","","","","","1.19","","","","","","","has coordinates","295660","2024-10-29","02:56:27",""
"1572968","4.753","0.0001","10.2084","0.0002","5.9848","0.0001","90","","90","","90","","290.386","0.01","295","2","295","2","","","","","","","synthetic","3","P b n m","-P 2c 2ab","62","magnesium silicate","magnesium silicate","forsterite","- Mg2 O4 Si -","- Mg2 O4 Si -","- Mg8 O16 Si4 -","4","0.5","","Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.","Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.","IUCrJ","2024","11","6","","","10.1107/S2052252524009722","powder diffraction","x-ray","1.5406","CuKα","","0.1585","","","","","","","","1.13","","","","","","","has coordinates","295660","2024-10-29","02:56:27",""
"1572969","4.7515","0.0001","10.2127","0.0002","5.9854","0.0001","90","","90","","90","","290.445","0.01","295","2","295","2","","","","","","","synthetic","3","P b n m","-P 2c 2ab","62","magnesium silicate","magnesium silicate","forsterite","- Mg2 O4 Si -","- Mg2 O4 Si -","- Mg8 O16 Si4 -","4","0.5","","Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.","Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.","IUCrJ","2024","11","6","","","10.1107/S2052252524009722","powder diffraction","x-ray","1.5406","CuKα","","0.2222","","","","","","","","1.19","","","","","","","has coordinates","295660","2024-10-29","02:56:27",""
"1572970","13.0359","0.0007","12.4928","0.0007","7.6471","0.0004","90","","97.074","0.002","90","","1235.89","0.12","150.15","","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O2 Se -","- C15 H12 O2 Se -","- C60 H48 O8 Se4 -","4","1","","Sarkar, Utsav Dey; Rana, Mahima; Chakrapani, Harinath","Phenacylselenoesters allow facile selenium transfer and hydrogen selenide generation.","Chemical science","2024","15","46","19315","19321","10.1039/d4sc05788k","","","0.71073","MoKα","","0.0214","0.0184","","","0.0445","0.0459","","","","","","1.089","","","","has coordinates","296417","2024-12-06","16:51:56",""
"1572971","7.6159","0.0003","13.8364","0.0007","18.8032","0.0006","97.114","0.003","100.726","0.003","102.922","0.003","1868.96","0.14","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H29.84 F6 N6 O9.92 -","- C38 H29.84 F6 N6 O9.92 -","- C76 H59.68 F12 N12 O19.84 -","2","1","","Ahmad, Manzoor; Flerin, Martin; Tay, Hui Min; Thompson, Amber L.; Duarte, Fernanda; Langton, Matthew J.","Stimuli-responsive anion transport utilising caged hydrazone-based anionophores.","Nanoscale","2024","16","46","21545","21553","10.1039/d4nr03220a","","","1.5418","CuKα","","0.0792","0.0557","","0.1806","0.1556","0.1804","","","","","","0.9956","","","","has coordinates,has disorder","296621","2024-12-06","20:07:29",""
"1572972","10.5597","0.0004","10.1486","0.0005","38.667","0.002","90","","92.415","0.004","90","","4140.1","0.3","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H52 Cl F6 N5 O4 -","- C40 H52 Cl F6 N5 O4 -","- C160 H208 Cl4 F24 N20 O16 -","4","1","","Ahmad, Manzoor; Flerin, Martin; Tay, Hui Min; Thompson, Amber L.; Duarte, Fernanda; Langton, Matthew J.","Stimuli-responsive anion transport utilising caged hydrazone-based anionophores.","Nanoscale","2024","16","46","21545","21553","10.1039/d4nr03220a","","","1.54184","CuKα","","0.1108","0.0925","","0.2351","0.2235","0.2351","","","","","","1.0307","","","","has coordinates,has disorder","296621","2024-12-06","20:07:30",""
"1572973","9.2173","0.0014","9.4972","0.0011","9.5809","0.001","88.263","0.009","82.367","0.01","85.479","0.011","828.51","0.18","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C40 H42 N2 O6 -","2","1","","Fu, Shijie; Jia, Hao; Meng, Xinmiao; Wang, Chengyuan; Li, Qian; Li, Lei; Yang, Jiaxiang; Niu, Helin","Fine-tuning the molecular conformation and packing structures of coumarin-based luminogens to achieve distinct piezochromic properties upon mechanical grinding and under hydrostatic pressures.","Materials horizons","2024","","","","","10.1039/d4mh01343c","","x-ray","1.54186","CuKα","","0.0518","0.0416","","","0.1143","0.1225","","","","","","1.094","","","","has coordinates","295675","2024-10-30","02:36:27",""
"1572974","6.633","0.0006","7.5002","0.0007","17.4918","0.0016","79.488","0.007","81.308","0.007","64.528","0.007","769.83","0.13","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C40 H36 N4 O4 -","2","1","","Fu, Shijie; Jia, Hao; Meng, Xinmiao; Wang, Chengyuan; Li, Qian; Li, Lei; Yang, Jiaxiang; Niu, Helin","Fine-tuning the molecular conformation and packing structures of coumarin-based luminogens to achieve distinct piezochromic properties upon mechanical grinding and under hydrostatic pressures.","Materials horizons","2024","","","","","10.1039/d4mh01343c","","","1.54186","CuKα","","0.0993","0.0894","","","0.284","0.288","","","","","","1.202","","","","has coordinates","295675","2024-10-30","02:36:29",""
"1572975","11.443","0.0008","13.277","0.0008","10.8931","0.0008","90","","99.297","0.006","90","","1633.24","0.19","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","1","","Fu, Shijie; Jia, Hao; Meng, Xinmiao; Wang, Chengyuan; Li, Qian; Li, Lei; Yang, Jiaxiang; Niu, Helin","Fine-tuning the molecular conformation and packing structures of coumarin-based luminogens to achieve distinct piezochromic properties upon mechanical grinding and under hydrostatic pressures.","Materials horizons","2024","","","","","10.1039/d4mh01343c","","x-ray","1.54186","CuKα","","0.0407","0.0342","","","0.092","0.0954","","","","","","1.049","","","","has coordinates","295675","2024-10-30","02:36:29",""
"1572976","6.4917","0.0018","19.911","0.006","12.759","0.004","90","","90.73","0.02","90","","1649","0.9","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C80 H84 N4 O12 -","4","1","","Fu, Shijie; Jia, Hao; Meng, Xinmiao; Wang, Chengyuan; Li, Qian; Li, Lei; Yang, Jiaxiang; Niu, Helin","Fine-tuning the molecular conformation and packing structures of coumarin-based luminogens to achieve distinct piezochromic properties upon mechanical grinding and under hydrostatic pressures.","Materials horizons","2024","","","","","10.1039/d4mh01343c","","x-ray","1.54186","CuKα","","0.0517","0.0343","","","0.0788","0.0857","","","","","","1.017","","","","has coordinates","295676","2024-10-30","02:36:48",""
"1572977","15.6986","0.0003","17.2101","0.0003","17.628","0.0003","76.436","0.002","71.465","0.002","89.91","0.002","4375.87","0.15","102.1","","102.1","","","","","","","","","7","P -1","-P 1","2","","","","- C88 H28 F34 Fe2 N4 O16 Ru4 -","- C88 H28 F34 Fe2 N4 O16 Ru4 -","- C176 H56 F68 Fe4 N8 O32 Ru8 -","2","1","","Liu, Qingxin; Kosaka, Wataru; Miyasaka, Hitoshi","Dynamic spin reordering in a hybrid layered ferrimagnet with intercalated biferrocenium radicals.","Chemical science","2024","15","46","19411","19419","10.1039/d4sc04722b","","x-ray","0.71073","MoKα","","0.0603","0.0394","","","0.0865","0.0923","","","","","","1.025","","","","has coordinates","296415","2024-12-06","16:51:19",""
"1572978","15.6132","0.0004","17.0211","0.0004","17.6801","0.0005","76.27","0.002","71.301","0.002","89.251","0.002","4313.2","0.2","102.1","","102.1","","","","","","","","","7","P -1","-P 1","2","","","","- C88 H28 F34 Fe2 N4 O16 Rh4 -","- C88 H28 F34 Fe2 N4 O16 Rh4 -","- C176 H56 F68 Fe4 N8 O32 Rh8 -","2","1","","Liu, Qingxin; Kosaka, Wataru; Miyasaka, Hitoshi","Dynamic spin reordering in a hybrid layered ferrimagnet with intercalated biferrocenium radicals.","Chemical science","2024","15","46","19411","19419","10.1039/d4sc04722b","","x-ray","0.71073","MoKα","","0.1246","0.0732","","","0.166","0.187","","","","","","1.026","","","","has coordinates","296415","2024-12-06","16:51:20",""
"1572979","8.7384","0.0001","7.8441","0.0001","17.9204","0.0002","90","","97.846","0.001","90","","1216.85","0.03","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H22 Br6 N2 Pb -","- C16 H22 Br6 N2 Pb -","- C32 H44 Br12 N4 Pb2 -","2","1","","Zhang, Zixuan; Wu, Jin; Lu, Haipeng","Deciphering the Electronic and Structural Origin of Chiroptical Activity of Chiral 2D Perovskites","Chemical Science","2024","","","","","10.1039/D4SC04915B","","x-ray","1.54184","CuKα","","0.0482","0.0476","","","0.1329","0.134","","","","","","1.053","","","","has coordinates","295681","2024-10-30","23:09:00",""
"1572980","8.7598","0.0002","7.7798","0.0002","17.505","0.0004","90","","97.984","0.002","90","","1181.39","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H22 Br4 Cl2 N2 Pb -","- C16 H22 Br4 Cl2 N2 Pb -","- C32 H44 Br8 Cl4 N4 Pb2 -","2","1","","Zhang, Zixuan; Wu, Jin; Lu, Haipeng","Deciphering the Electronic and Structural Origin of Chiroptical Activity of Chiral 2D Perovskites","Chemical Science","2024","","","","","10.1039/D4SC04915B","","x-ray","0.71073","MoKα","","0.0335","0.0307","","","0.0673","0.0691","","","","","","1.033","","","","has coordinates","295681","2024-10-30","23:09:00",""
"1572981","9.1762","0.0002","8.1825","0.0001","17.4483","0.0003","90","","98.856","0.002","90","","1294.47","0.04","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H22 Cl2 I4 N2 Pb -","- C16 H22 Cl2 I4 N2 Pb -","- C32 H44 Cl4 I8 N4 Pb2 -","2","1","","Zhang, Zixuan; Wu, Jin; Lu, Haipeng","Deciphering the Electronic and Structural Origin of Chiroptical Activity of Chiral 2D Perovskites","Chemical Science","2024","","","","","10.1039/D4SC04915B","","x-ray","0.71073","MoKα","","0.0244","0.0227","","","0.0465","0.0473","","","","","","0.999","","","","has coordinates","295681","2024-10-30","23:09:00",""
"1572982","7.8357","0.0002","35.9831","0.0011","8.8981","0.0002","90","","90.903","0.002","90","","2508.53","0.11","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H48 Br12 N4 O2 Pb2 -","- C32 H48 Br12 N4 O2 Pb2 -","- C64 H96 Br24 N8 O4 Pb4 -","2","1","","Zhang, Zixuan; Wu, Jin; Lu, Haipeng","Deciphering the Electronic and Structural Origin of Chiroptical Activity of Chiral 2D Perovskites","Chemical Science","2024","","","","","10.1039/D4SC04915B","","x-ray","0.71073","MoKα","","0.0543","0.0508","","","0.1222","0.1248","","","","","","1.102","","","","has coordinates","295681","2024-10-30","23:09:01",""
"1572983","9.1768","0.0002","8.2407","0.0002","17.8463","0.0005","90","","98.883","0.002","90","","1333.41","0.06","173","0.1","173","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H22 Br2 I4 N2 Pb -","- C16 H22 Br2 I4 N2 Pb -","- C32 H44 Br4 I8 N4 Pb2 -","2","1","","Zhang, Zixuan; Wu, Jin; Lu, Haipeng","Deciphering the Electronic and Structural Origin of Chiroptical Activity of Chiral 2D Perovskites","Chemical Science","2024","","","","","10.1039/D4SC04915B","","x-ray","1.54184","CuKα","","0.028","0.0251","","","0.0548","0.0559","","","","","","1.004","","","","has coordinates","295681","2024-10-30","23:09:01",""
"1572984","11.5151","0.0005","13.9307","0.0006","14.1697","0.0006","91.208","0.002","113.822","0.001","93.799","0.002","2071.94","0.16","298","2","298","2","","","","","","","","3","P 1","P 1","1","","","","- C124 H76 N4 -","- C124 H76 N4 -","- C124 H76 N4 -","1","1","","Zhang, Shiguo; Liu, Guanyu; Mao, Zhichao; Xue, Shanfeng; Sun, Qikun; Yang, Wenjun","Organic Dopant Cyclization and Significantly Improved RTP Properties","Chemical Science","2024","","","","","10.1039/D4SC06213B","","","0.71073","MoKα","","0.0566","0.0521","","","0.1432","0.1464","","","","","","1.039","","","","has coordinates","295682","2024-10-30","23:09:27",""
"1572985","9.042","0.0002","25.7448","0.0007","9.2981","0.0002","90","","102.736","0.002","90","","2111.2","0.09","299","2","299","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C31 H19 N O -","- C31 H19 N O -","- C124 H76 N4 O4 -","4","2","","Zhang, Shiguo; Liu, Guanyu; Mao, Zhichao; Xue, Shanfeng; Sun, Qikun; Yang, Wenjun","Organic Dopant Cyclization and Significantly Improved RTP Properties","Chemical Science","2024","","","","","10.1039/D4SC06213B","","","1.54178","CuKα","","0.0975","0.0816","","","0.2291","0.2506","","","","","","1.068","","","","has coordinates","295682","2024-10-30","23:09:28",""
"1572986","10.2619","0.0003","13.6776","0.0003","10.9318","0.0003","90","","116.64","0.004","90","","1371.48","0.08","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H21 Cl4 N5 O2 S -","- C28 H21 Cl4 N5 O2 S -","- C56 H42 Cl8 N10 O4 S2 -","2","1","","M. Ali; Abdullah Mohammed Al-Majid; Muhanna K. Al-Muhanna; Mar Rios-Gutierrez; Matti Haukka; Abdulmajeed Abdullah Alayyaf; Assem Barakat","6-chloro-2'-[5-methyl-1-(2,4,6-trichlorophenyl)-1H-1,2,3-triazole-4-carbonyl]-1'- (thiophen-2-yl)-1',2',5',6',7',7'a-hexahydrospiro[indole-3,3'-pyrrolizin]-2(1H)-one","CCDC database","2024","","","2303110","2303110","10.5517/ccdc.csd.cc2h9kw8","","","0.71073","MoKα","","0.0435","0.0373","","","0.077","0.0806","","","","","","1.03","","","","has coordinates","295691","2024-10-31","12:18:29",""
"1572987","13.0012","0.0001","14.9692","0.0001","14.1178","0.0001","90","","97.101","0.001","90","","2726.5","0.03","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 Cl3 N5 O3 -","- C29 H24 Cl3 N5 O3 -","- C116 H96 Cl12 N20 O12 -","4","1","","M. Ali; Abdullah Mohammed Al-Majid; Muhanna K. Al-Muhanna; Mar Rios-Gutierrez; Matti Haukka; Abdulmajeed Abdullah Alayyaf; Assem Barakat","1'-(furan-2-yl)-5-methyl-2'-[5-methyl-1-(2,4,6-trichlorophenyl)- 1H-1,2,3-triazole-4-carbonyl]-1',2',5',6',7',7'a-hexahydrospiro[indole-3,3'- pyrrolizin]-2(1H)-one","CCDC database","2024","","","2303111","2303111","10.5517/ccdc.csd.cc2h9kx9","","","0.71073","MoKα","","0.0584","0.0422","","","0.1081","0.1177","","","","","","1.043","","","","has coordinates","295692","2024-10-31","12:19:47",""
"1572988","9.9809","0.0008","12.4367","0.0011","21.6963","0.0018","90","","90","","90","","2693.1","0.4","100","0.2","100","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C120 H208 O16 -","8","2","","You, Yipeng; Zhang, Xue-Jie; Xiao, Wen; Kunthic, Thittaya; Xiang, Zheng; Xu, Chen","Unified enantiospecific synthesis of drimane meroterpenoids enabled by enzyme catalysis and transition metal catalysis.","Chemical science","2024","15","46","19307","19314","10.1039/d4sc06060a","","x-ray","1.34138","GaKα","","0.0289","0.0282","","","0.076","0.0767","","","","","","1.06","","","","has coordinates","296420","2024-12-06","16:53:04",""
"1572989","12.2439","0.001","15.9738","0.0014","16.1746","0.0014","115.689","0.003","99.245","0.003","102.148","0.003","2670.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H86 Dy6 O83 S20 -","- C50 H56 Dy6 O68 S20 -","- C50 H56 Dy6 O68 S20 -","1","0.5","","Manna, Fabio; Oggianu, Mariangela; Auban-Senzier, Pascale; Novitchi, Ghenadie; Canadell, Enric; Mercuri, Maria Laura; Avarvari, Narcis","A highly conducting tetrathiafulvalene-tetracarboxylate based dysprosium(iii) 2D metal-organic framework with single molecule magnet behaviour.","Chemical science","2024","15","46","19247","19263","10.1039/d4sc05763e","","","0.71073","MoKα","","0.0423","0.0325","","","0.0684","0.0716","","","","","","1.059","","","","has coordinates","296409","2024-12-06","16:48:20",""
"1572990","20.5205","0.0009","8.1626","0.0003","9.4732","0.0004","90","","90.788","0.004","90","","1586.62","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Ethoxy-3-[4-(ethoxycarbonyl)phenyl]-3-hydroxy-1-oxopropan-2-aminium chloride","","- C14 H20 Cl N O5 -","- C14 H20 Cl N O5 -","- C56 H80 Cl4 N4 O20 -","4","1","BT4157","Schollmeyer, Dieter; Proz, Igor; Detert, Heiner","1-Ethoxy-3-[4-(ethoxycarbonyl)phenyl]-3-hydroxy-1-oxopropan-2-aminium chloride","IUCrData","2024","9","10","","","10.1107/S2414314624010320","","","0.71073","MoKα","","0.045","0.0375","","","0.0927","0.0995","","","","","","1.069","","","","has coordinates,has disorder","295717","2024-11-01","03:05:23",""
"1572991","7.929","0.0007","15.3027","0.0015","10.0486","0.0006","90","","90","","90","","1219.25","0.18","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","(1<i>H</i>-Benzodiazol-2-ylmethyl)diethylamine","","- C12 H17 N3 -","- C12 H17 N3 -","- C48 H68 N12 -","4","1","HB4488","Khamrang, Themmila; Kannan, A.; Hemamalini, Madhukar; Tahir, Muhammad Nawaz; Antony, G. Jerald Maria; Saravanan, Dhandayutham","(1H-Benzodiazol-2-ylmethyl)diethylamine","IUCrData","2024","9","10","","","10.1107/S241431462401006X","","","0.71073","MoKα","","0.139","0.0657","","","0.1101","0.1296","","","","","","1.181","","","","has coordinates,has disorder","295718","2024-11-01","03:05:43",""
"1572992","24.8929","0.0009","8.5889","0.0004","11.2678","0.0004","90","","103.026","0.0012","90","","2347.09","0.16","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Benzilic acid","2,2-Diphenyl-2-hydroxyethanoic acid","","- C14 H12 O3 -","- C14 H12 O3 -","- C112 H96 O24 -","8","2","BT4158","Prinsloo, Petrus; Hosten, Eric Cyriel; Betz, Richard","Benzilic acid: a monoclinic polymorph","IUCrData","2024","9","10","","","10.1107/S2414314624010393","","","0.71073","MoKα","","0.0973","0.0808","","","0.1571","0.1748","","","","","","1.267","","","","has coordinates","295719","2024-11-01","03:06:02",""
"1572993","6.8905","0.0017","21.852","0.005","12.298","0.003","90","","90","","90","","1851.7","0.8","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H6 N13 O3 Rb3 -","- C9 H6 N13 O3 Rb3 -","- C36 H24 N52 O12 Rb12 -","4","1","","Dou, Danyang; Zhang, Bingbing; Yang, Daqing; Wang, Ying","Large second harmonic generation and birefringence from extended octupolar π-conjugated structures.","Chemical science","2024","15","46","19496","19503","10.1039/d4sc05756b","","x-ray","0.71073","MoKα","","0.0388","0.0357","","","0.0964","0.0992","","","","","","1.129","","","","has coordinates","296412","2024-12-06","16:49:43",""
"1572994","6.898","0.003","21.946","0.008","12.324","0.003","90","","90","","90","","1865.7","1.2","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H6 Cs3 N13 O3 -","- C9 H6 Cs3 N13 O3 -","- C36 H24 Cs12 N52 O12 -","4","1","","Dou, Danyang; Zhang, Bingbing; Yang, Daqing; Wang, Ying","Large second harmonic generation and birefringence from extended octupolar π-conjugated structures.","Chemical science","2024","15","46","19496","19503","10.1039/d4sc05756b","","x-ray","0.71073","MoKα","","0.0692","0.0517","","","0.1139","0.1217","","","","","","1.084","","","","has coordinates","296412","2024-12-06","16:49:44",""
"1572995","21.2051","0.0015","12.763","0.0002","27.536","0.002","90","","145.799","0.017","90","","4189","1.9","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H66 N3 V -","- C46 H66 N3 V -","- C184 H264 N12 V4 -","4","1","","Gholi Jafari, Mehrafshan; Russell, John B.; Myung, Hwan; Kwon, Seongyeon; Carroll, Patrick; Gau, Michael; Baik, Mu-Hyun; Mindiola, Daniel J.","Pnictogen-Based Vanadacyclobutadiene Complexes.","Chemical Science","2024","","","","","10.1039/D4SC05884D","","x-ray","0.71073","MoKα","","0.0591","0.0422","","","0.1009","0.1076","","","","","","1.095","","","","has coordinates,has disorder","295723","2024-11-01","23:05:42",""
"1572996","37.668","0.003","10.2592","0.001","20.923","0.002","90","","91.771","0.006","90","","8081.7","1.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H64 N2 P V -","- C45 H64 N2 P V -","- C360 H512 N16 P8 V8 -","8","1","","Gholi Jafari, Mehrafshan; Russell, John B.; Myung, Hwan; Kwon, Seongyeon; Carroll, Patrick; Gau, Michael; Baik, Mu-Hyun; Mindiola, Daniel J.","Pnictogen-Based Vanadacyclobutadiene Complexes.","Chemical Science","2024","","","","","10.1039/D4SC05884D","","","0.71073","MoKα","","0.0696","0.0472","","","0.118","0.1308","","","","","","1.036","","","","has coordinates,has disorder","295723","2024-11-01","23:05:43",""
"1572997","9.7622","0.0002","11.3546","0.0002","20.4691","0.0003","90","","90.507","0.002","90","","2268.83","0.07","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N5 P -","- C26 H22 N5 P -","- C104 H88 N20 P4 -","4","1","","Mohite, Manali A.; Sheokand, Sonu; Balakrishna, Maravanji S.","Nickel–PNN catalysed sustainable synthesis of polysubstituted quinolines under microwave irradiation","Catalysis Science & Technology","2024","14","20","5959","5969","10.1039/D4CY00863D","","x-ray","0.71073","MoKα","","0.0348","0.0318","","","0.0794","0.0817","","","","","","1.037","","","","has coordinates","295734","2024-11-03","23:17:21",""
"1572998","8.5305","0.0004","9.4375","0.0004","17.6861","0.0006","90.703","0.003","98.984","0.003","99.254","0.004","1387.06","0.1","273.15","0.1","273.15","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C27 H22 Cl F3 N5 Ni O3 P S -","- C27 H22 Cl F3 N5 Ni O3 P S -","- C54 H44 Cl2 F6 N10 Ni2 O6 P2 S2 -","2","1","","Mohite, Manali A.; Sheokand, Sonu; Balakrishna, Maravanji S.","Nickel–PNN catalysed sustainable synthesis of polysubstituted quinolines under microwave irradiation","Catalysis Science & Technology","2024","14","20","5959","5969","10.1039/D4CY00863D","","x-ray","0.71073","MoKα","","0.1065","0.0576","","","0.1101","0.1262","","","","","","1.025","","","","has coordinates","295734","2024-11-03","23:17:23",""
"1572999","21.2519","0.0014","10.0002","0.0005","24.7491","0.0015","90","","114.089","0.007","90","","4801.7","0.6","150","0.1","150","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C25 H19 Cl N5 Ni P -","- C25 H19 Cl N5 Ni P -","- C200 H152 Cl8 N40 Ni8 P8 -","8","1","","Mohite, Manali A.; Sheokand, Sonu; Balakrishna, Maravanji S.","Nickel–PNN catalysed sustainable synthesis of polysubstituted quinolines under microwave irradiation","Catalysis Science & Technology","2024","14","20","5959","5969","10.1039/D4CY00863D","","x-ray","0.71073","MoKα","","0.0896","0.0546","","","0.1331","0.1599","","","","","","0.986","","","","has coordinates","295734","2024-11-03","23:17:23",""
"1573000","17.3501","0.0008","10.6515","0.0005","14.9182","0.0006","90","","90","","90","","2757","0.2","150","2","150","","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C22 H28 Cl F3 N5 Ni O3 P S -","- C22 H28 Cl F3 N5 Ni O3 P S -","- C88 H112 Cl4 F12 N20 Ni4 O12 P4 S4 -","4","1","","Mohite, Manali A.; Sheokand, Sonu; Balakrishna, Maravanji S.","Nickel–PNN catalysed sustainable synthesis of polysubstituted quinolines under microwave irradiation","Catalysis Science & Technology","2024","14","20","5959","5969","10.1039/D4CY00863D","","","0.71073","MoKα","","0.0519","0.0389","","","0.0816","0.0876","","","","","","1.005","","","","has coordinates","295734","2024-11-03","23:17:23",""
"1573001","7.8912","0.0007","8.8336","0.001","18.4362","0.0019","85.707","0.004","85.978","0.004","74.077","0.004","1230.7","0.2","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H62 Cl2 N10 Ni2 O P2 -","- C48 H62 Cl2 N10 Ni2 O P2 -","- C48 H62 Cl2 N10 Ni2 O P2 -","1","0.5","","Mohite, Manali A.; Sheokand, Sonu; Balakrishna, Maravanji S.","Nickel–PNN catalysed sustainable synthesis of polysubstituted quinolines under microwave irradiation","Catalysis Science & Technology","2024","14","20","5959","5969","10.1039/D4CY00863D","","","0.71073","MoKα","","0.0318","0.0264","","","0.0621","0.0647","","","","","","1.028","","","","has coordinates,has disorder","295734","2024-11-03","23:17:23",""
"1573002","42.93","0.003","42.93","0.003","16.9889","0.0015","90","","90","","120","","27116","4","293.15","","293.15","","","","","","","","","9","R -3 :H","-R 3","148","","","","- C52 H40 Cl2 F6 N10 Ni2 O6 P2 S2 -","- C52 H40 Cl2 F6 N10 Ni2 O6 P2 S2 -","- C936 H720 Cl36 F108 N180 Ni36 O108 P36 S36 -","18","1","","Mohite, Manali A.; Sheokand, Sonu; Balakrishna, Maravanji S.","Nickel–PNN catalysed sustainable synthesis of polysubstituted quinolines under microwave irradiation","Catalysis Science & Technology","2024","14","20","5959","5969","10.1039/D4CY00863D","","","0.71073","MoKα","","0.1178","0.0596","","","0.1314","0.1636","","","","","","1.025","","","","has coordinates","295734","2024-11-03","23:17:23",""
"1573003","31.326","0.003","23.4652","0.0019","24.275","0.002","90","","90","","90","","17844","3","150","","150","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C18 H21 As3 Mo10 N3 O41 Se -","- C18 H21 As3 Mo10 N3 O41 Se -","- C144 H168 As24 Mo80 N24 O328 Se8 -","8","1","","Liu, Lu-Lu; Xu, Zi-Yu; Yi, Peng; Chen, Chao-Qin; Lang, Zhong-Ling; Yang, Peng","Making an inverted Keggin ion lacunary.","Chemical science","2024","15","41","16977","16986","10.1039/d4sc04634j","","","0.71073","MoKα","","0.0759","0.0619","","","0.1647","0.1721","","","","","","1.078","","","","has coordinates","295751","2024-11-04","11:12:18",""
"1573004","13.93","0.003","20.189","0.005","24.369","0.006","91.991","0.007","99.609","0.008","90.075","0.008","6753","3","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H27 As4 Mo20 N4 O82 Se2.63 -","- C24 H27 As4 Mo20 N4 O82 Se2.63 -","- C48 H54 As8 Mo40 N8 O164 Se5.26 -","2","1","","Liu, Lu-Lu; Xu, Zi-Yu; Yi, Peng; Chen, Chao-Qin; Lang, Zhong-Ling; Yang, Peng","Making an inverted Keggin ion lacunary.","Chemical science","2024","15","41","16977","16986","10.1039/d4sc04634j","","","0.71073","MoKα","","0.1878","0.141","","","0.3559","0.3731","","","","","","1.226","","","","has coordinates,has disorder","295751","2024-11-04","11:12:20",""
"1573005","12.1018","0.0014","15.6636","0.0019","22.209","0.003","99.665","0.004","94.683","0.004","108.62","0.004","3891.5","0.8","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C36 H38 As6 Ce2 Mo20 N6 O94 Se2 -","- C36 H38 As6 Ce2 Mo20 N6 O94 Se2 -","- C36 H38 As6 Ce2 Mo20 N6 O94 Se2 -","1","0.5","","Liu, Lu-Lu; Xu, Zi-Yu; Yi, Peng; Chen, Chao-Qin; Lang, Zhong-Ling; Yang, Peng","Making an inverted Keggin ion lacunary.","Chemical science","2024","15","41","16977","16986","10.1039/d4sc04634j","","","0.71073","MoKα","","0.0422","0.0309","","","0.0724","0.0759","","","","","","1.049","","","","has coordinates,has disorder","295751","2024-11-04","11:12:20",""
"1573006","7.8096","0.0002","11.2175","0.0003","38.8558","0.0009","90","","90","","90","","3403.93","0.15","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H30 Cl4 N2 -","- C42 H30 Cl4 N2 -","- C168 H120 Cl16 N8 -","4","1","","Mo, Xuechao; Chen, Guohao; Li, Yulan; Xiao, Biao; Chen, Xuefeng; Yin, Xiaojun; Yang, Chuluo","Enhanced chiroptical activity for narrow deep-blue emission in axial chiral frameworks <i>via</i> three-dimensional interlocking.","Chemical science","2024","15","42","17663","17670","10.1039/d4sc05056h","","","1.54178","CuKα","","0.0584","0.0542","","","0.1348","0.1389","","","","","","1.041","","","","has coordinates","295752","2024-11-04","11:13:24",""
"1573007","7.8033","0.0008","11.2205","0.0012","38.855","0.004","90","","90","","90","","3402","0.6","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H30 Cl4 N2 -","- C42 H30 Cl4 N2 -","- C168 H120 Cl16 N8 -","4","1","","Mo, Xuechao; Chen, Guohao; Li, Yulan; Xiao, Biao; Chen, Xuefeng; Yin, Xiaojun; Yang, Chuluo","Enhanced chiroptical activity for narrow deep-blue emission in axial chiral frameworks <i>via</i> three-dimensional interlocking.","Chemical science","2024","15","42","17663","17670","10.1039/d4sc05056h","","","1.34139","GaKα","","0.0748","0.0611","","","0.1502","0.1596","","","","","","1.065","","","","has coordinates","295752","2024-11-04","11:13:28",""
"1573008","25.6752","0.0014","7.7929","0.0004","22.2195","0.0018","90","","123.416","0.002","90","","3710.9","0.4","170","","170","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C109 H70 Cl2 N4 -","- C109 H70 Cl2 N4 -","- C218 H140 Cl4 N8 -","2","0.5","","Mo, Xuechao; Chen, Guohao; Li, Yulan; Xiao, Biao; Chen, Xuefeng; Yin, Xiaojun; Yang, Chuluo","Enhanced chiroptical activity for narrow deep-blue emission in axial chiral frameworks <i>via</i> three-dimensional interlocking.","Chemical science","2024","15","42","17663","17670","10.1039/d4sc05056h","","","1.34139","GaKα","","0.0626","0.0449","","","0.0995","0.1066","","","","","","1.046","","","","has coordinates,has disorder","295752","2024-11-04","11:13:30",""
"1573009","14.082","0.002","16.518","0.002","26.742","0.004","90","","90","","90","","6220.4","1.5","294.3","","294.3","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C75 H48 Cl2 N4 -","- C75 H48 Cl2 N4 -","- C300 H192 Cl8 N16 -","4","1","","Mo, Xuechao; Chen, Guohao; Li, Yulan; Xiao, Biao; Chen, Xuefeng; Yin, Xiaojun; Yang, Chuluo","Enhanced chiroptical activity for narrow deep-blue emission in axial chiral frameworks <i>via</i> three-dimensional interlocking.","Chemical science","2024","15","42","17663","17670","10.1039/d4sc05056h","","","0.71073","MoKα","","0.2236","0.0809","","","0.1751","0.2455","","","","","","0.927","","","","has coordinates","295752","2024-11-04","11:13:41",""
"1573010","5.994","0.0001","16.4455","0.0004","24.7082","0.0006","90","","90","","90","","2435.59","0.09","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H34 N2 O3 -","- C28 H34 N2 O3 -","- C112 H136 N8 O12 -","4","1","","Tan, Jiuqi; Yang, Longqing; Su, Hanyu; Yang, Yuntian; Zhong, Ziwei; Feng, Xiaoming; Liu, Xiaohua","Visible-light-driven asymmetric aldol reaction of ketones and glycinates <i>via</i> synergistic Lewis acid/photoredox catalysis.","Chemical science","2024","15","39","16050","16058","10.1039/d4sc04900d","","","1.54178","CuKα","","0.0777","0.0713","","","0.1488","0.1535","","","","","","1.112","","","","has coordinates","295753","2024-11-04","11:16:26",""
"1573011","9.092","0.0003","10.7481","0.0003","15.4529","0.0005","92.2249","0.0014","103.007","0.0013","95.7954","0.0012","1460.87","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H30 B2 -","- C44 H30 B2 -","- C88 H60 B4 -","2","1","","Anitha, Mandala; Chin, To-Jen; Liu, Guan-Cheng; Hsieh, Chi-Tien; Wang, Kuan-Hua; Li, Shu-Li; Cheng, Mu-Jeng; Farrell, Jeffrey M.","Metal-free alkyne annulation enabling π-extension of boron-doped polycyclic aromatic hydrocarbons.","Chemical science","2024","15","39","16210","16215","10.1039/d4sc03781b","","","1.54178","CuKα","","0.0679","0.0523","","","0.1408","0.1488","","","","","","1.065","","","","has coordinates","295754","2024-11-04","11:17:41",""
"1573012","8.1524","0.0002","8.4349","0.0002","40.5242","0.0011","90","","90","","90","","2786.63","0.12","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H24 B2 F2 -","- C42 H24 B2 F2 -","- C168 H96 B8 F8 -","4","0.5","","Anitha, Mandala; Chin, To-Jen; Liu, Guan-Cheng; Hsieh, Chi-Tien; Wang, Kuan-Hua; Li, Shu-Li; Cheng, Mu-Jeng; Farrell, Jeffrey M.","Metal-free alkyne annulation enabling π-extension of boron-doped polycyclic aromatic hydrocarbons.","Chemical science","2024","15","39","16210","16215","10.1039/d4sc03781b","","","1.54178","CuKα","","0.0587","0.0524","","","0.1507","0.155","","","","","","1.106","","","","has coordinates","295754","2024-11-04","11:17:46",""
"1573013","19.8935","0.0012","7.5081","0.0004","11.7916","0.0007","90","","92.113","0.002","90","","1760.02","0.18","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H38 B2 -","- C48 H38 B2 -","- C96 H76 B4 -","2","0.5","","Anitha, Mandala; Chin, To-Jen; Liu, Guan-Cheng; Hsieh, Chi-Tien; Wang, Kuan-Hua; Li, Shu-Li; Cheng, Mu-Jeng; Farrell, Jeffrey M.","Metal-free alkyne annulation enabling π-extension of boron-doped polycyclic aromatic hydrocarbons.","Chemical science","2024","15","39","16210","16215","10.1039/d4sc03781b","","","1.54178","CuKα","","0.0462","0.0427","","","0.1176","0.1221","","","","","","1.038","","","","has coordinates","295754","2024-11-04","11:17:56",""
"1573014","43.961","0.002","9.5533","0.0004","7.9022","0.0004","90","","95.191","0.003","90","","3305.1","0.3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C50 H30 B2 -","- C50 H30 B2 -","- C200 H120 B8 -","4","0.5","","Anitha, Mandala; Chin, To-Jen; Liu, Guan-Cheng; Hsieh, Chi-Tien; Wang, Kuan-Hua; Li, Shu-Li; Cheng, Mu-Jeng; Farrell, Jeffrey M.","Metal-free alkyne annulation enabling π-extension of boron-doped polycyclic aromatic hydrocarbons.","Chemical science","2024","15","39","16210","16215","10.1039/d4sc03781b","","","1.54178","CuKα","","0.0669","0.0507","","","0.1375","0.1491","","","","","","1.03","","","","has coordinates","295754","2024-11-04","11:17:57",""
"1573015","15.6381","0.0008","14.3429","0.0006","8.1555","0.0004","90","","98.268","0.002","90","","1810.23","0.15","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 B -","- C27 H19 B -","- C108 H76 B4 -","4","1","","Anitha, Mandala; Chin, To-Jen; Liu, Guan-Cheng; Hsieh, Chi-Tien; Wang, Kuan-Hua; Li, Shu-Li; Cheng, Mu-Jeng; Farrell, Jeffrey M.","Metal-free alkyne annulation enabling π-extension of boron-doped polycyclic aromatic hydrocarbons.","Chemical science","2024","15","39","16210","16215","10.1039/d4sc03781b","","","0.71073","MoKα","","0.049","0.0436","","","0.1184","0.1243","","","","","","1.052","","","","has coordinates","295754","2024-11-04","11:17:59",""
"1573016","9.3575","0.0002","12.6004","0.0003","17.5852","0.0005","96.4677","0.0012","98.9712","0.0013","104.136","0.0012","1961.32","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H22 B2 S2 -","- C38 H22 B2 S2 -","- C114 H66 B6 S6 -","3","1.5","","Anitha, Mandala; Chin, To-Jen; Liu, Guan-Cheng; Hsieh, Chi-Tien; Wang, Kuan-Hua; Li, Shu-Li; Cheng, Mu-Jeng; Farrell, Jeffrey M.","Metal-free alkyne annulation enabling π-extension of boron-doped polycyclic aromatic hydrocarbons.","Chemical science","2024","15","39","16210","16215","10.1039/d4sc03781b","","","1.54178","CuKα","","0.051","0.0393","","","0.102","0.1123","","","","","","1.023","","","","has coordinates,has disorder","295754","2024-11-04","11:17:59",""
"1573017","7.49","0.07","10.23","0.09","10.81","0.1","82.27","0.03","87.799","0.013","70.095","0.013","772","12","298","","298","","","","","","","","see text","4","P -1","-P 1","2","","","","- C9 H7 N O4 -","- C9 H7 N O4 -","- C36 H28 N4 O16 -","4","2","","Vinod, Kavya; Mathew, Renny; Jandl, Christian; Thomas, Brijith; Hariharan, Mahesh","Electron diffraction and solid-state NMR reveal the structure and exciton coupling in a eumelanin precursor.","Chemical science","2024","15","39","16015","16024","10.1039/d4sc05453a","","","0.02851","electron","","0.188","0.1365","","","0.3234","0.3604","","","","","","1.088","","","","has coordinates","295755","2024-11-04","11:19:59",""
"1573018","9.9066","0.0002","9.8822","0.0002","14.8879","0.0002","90","","92.988","0.001","90","","1455.53","0.05","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 N P -","- C17 H14 N P -","- C68 H56 N4 P4 -","4","1","","Ren, Qiqiong; Zhou, Guojun; Mao, Yilin; Zhang, Nan; Zhang, Jian; Zhang, Xian-Ming","Optical activity levels of metal centers controlling multi-mode emissions in low-dimensional hybrid metal halides for anti-counterfeiting and information encryption.","Chemical science","2024","15","40","16536","16545","10.1039/d4sc05041j","","x-ray","1.54184","CuKα","","0.0445","0.0379","","","0.0979","0.1014","","","","","","1.047","","","","has coordinates","295756","2024-11-04","11:22:21",""
"1573019","16.4372","0.0006","8.2217","0.0003","26.8461","0.0009","90","","96.244","0.003","90","","3606.5","0.2","268.55","0.1","268.55","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 Cd Cl4 N2 P2 -","- C34 H30 Cd Cl4 N2 P2 -","- C136 H120 Cd4 Cl16 N8 P8 -","4","0.5","","Ren, Qiqiong; Zhou, Guojun; Mao, Yilin; Zhang, Nan; Zhang, Jian; Zhang, Xian-Ming","Optical activity levels of metal centers controlling multi-mode emissions in low-dimensional hybrid metal halides for anti-counterfeiting and information encryption.","Chemical science","2024","15","40","16536","16545","10.1039/d4sc05041j","","x-ray","0.71073","MoKα","","0.0509","0.0367","","","0.0895","0.0982","","","","","","1.033","","","","has coordinates","295756","2024-11-04","11:22:22",""
"1573020","16.3042","0.0012","8.1166","0.0006","26.7689","0.0019","90","","96.491","0.002","90","","3519.7","0.4","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 Cl4 N2 P2 Zn -","- C34 H30 Cl4 N2 P2 Zn -","- C136 H120 Cl16 N8 P8 Zn4 -","4","0.5","","Ren, Qiqiong; Zhou, Guojun; Mao, Yilin; Zhang, Nan; Zhang, Jian; Zhang, Xian-Ming","Optical activity levels of metal centers controlling multi-mode emissions in low-dimensional hybrid metal halides for anti-counterfeiting and information encryption.","Chemical science","2024","15","40","16536","16545","10.1039/d4sc05041j","","","0.71073","MoKα","","0.0729","0.0445","","","0.0987","0.1087","","","","","","1.013","","","","has coordinates","295756","2024-11-04","11:22:22",""
"1573021","11.734","0.0007","8.8163","0.0004","20.568","0.0011","90","","100.522","0.002","90","","2091.99","0.19","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Cl4 N P Sb -","- C17 H15 Cl4 N P Sb -","- C68 H60 Cl16 N4 P4 Sb4 -","4","1","","Ren, Qiqiong; Zhou, Guojun; Mao, Yilin; Zhang, Nan; Zhang, Jian; Zhang, Xian-Ming","Optical activity levels of metal centers controlling multi-mode emissions in low-dimensional hybrid metal halides for anti-counterfeiting and information encryption.","Chemical science","2024","15","40","16536","16545","10.1039/d4sc05041j","","","0.71073","MoKα","","0.0635","0.0402","","","0.0848","0.0941","","","","","","1.023","","","","has coordinates","295756","2024-11-04","11:22:22",""
"1573022","16.3477","0.001","8.1633","0.0005","26.8181","0.0016","90","","96.399","0.002","90","","3556.6","0.4","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 Cl4 Mn N2 P2 -","- C34 H30 Cl4 Mn N2 P2 -","- C136 H120 Cl16 Mn4 N8 P8 -","4","0.5","","Ren, Qiqiong; Zhou, Guojun; Mao, Yilin; Zhang, Nan; Zhang, Jian; Zhang, Xian-Ming","Optical activity levels of metal centers controlling multi-mode emissions in low-dimensional hybrid metal halides for anti-counterfeiting and information encryption.","Chemical science","2024","15","40","16536","16545","10.1039/d4sc05041j","","","0.71073","MoKα","","0.0608","0.0386","","","0.0888","0.0973","","","","","","1.043","","","","has coordinates","295756","2024-11-04","11:22:23",""
"1573023","38.6708","0.0006","24.18","0.0002","26.6822","0.0006","90","","108.601","0.002","90","","23646.2","0.7","169.99","0.1","169.99","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C137 H171 Cl3 -","- C137 H171 Cl3 -","- C1096 H1368 Cl24 -","8","1","","Liu, Binbin; Jin, Zhengxiong; Liu, Xinyue; Sun, Lanfei; Yang, Cao; Zhang, Lei","π-extended pyrenes: from an antiaromatic buckybowl to doubly curved nanocarbons with gulf architectures.","Chemical science","2024","15","40","16529","16535","10.1039/d4sc03460k","","x-ray","1.54178","CuKα","","0.1397","0.1161","","","0.3203","0.335","","","","","","2.231","","","","has coordinates,has disorder","295757","2024-11-04","11:24:59",""
"1573024","46.521","0.002","45.59","0.002","24.322","0.002","90","","90","","90","","51584","5","117.4","0.14","117.4","0.14","","","","","","","","2","F d d d :2","-F 2uv 2vw","70","","","","- C136 H158 -","- C136 H158 -","- C2176 H2528 -","16","0.5","","Liu, Binbin; Jin, Zhengxiong; Liu, Xinyue; Sun, Lanfei; Yang, Cao; Zhang, Lei","π-extended pyrenes: from an antiaromatic buckybowl to doubly curved nanocarbons with gulf architectures.","Chemical science","2024","15","40","16529","16535","10.1039/d4sc03460k","","x-ray","0.71073","MoKα","","0.2174","0.12","","","0.2732","0.3108","","","","","","1.244","","","","has coordinates,has disorder","295757","2024-11-04","11:25:01",""
"1573025","23.7294","0.0002","16.1006","0.0001","31.9392","0.0002","90","","101.58","0.001","90","","11954.2","0.15","169.99","0.1","169.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C142 H163 Cl -","- C142 H163 Cl -","- C568 H652 Cl4 -","4","1","","Liu, Binbin; Jin, Zhengxiong; Liu, Xinyue; Sun, Lanfei; Yang, Cao; Zhang, Lei","π-extended pyrenes: from an antiaromatic buckybowl to doubly curved nanocarbons with gulf architectures.","Chemical science","2024","15","40","16529","16535","10.1039/d4sc03460k","","x-ray","1.54184","CuKα","","0.09","0.0701","","","0.2011","0.2191","","","","","","1.035","","","","has coordinates,has disorder","295757","2024-11-04","11:25:02",""
"1573026","14.1161","0.0002","12.9639","0.0002","14.5367","0.0002","90","","103.95","0.001","90","","2581.75","0.07","150","0.2","150","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H34 N2 O2 -","- C29 H34 N2 O2 -","- C116 H136 N8 O8 -","4","1","","Roper, Natalie J.; Campbell, Aaron D. G.; Waddell, Paul G.; Brown, Alistair K.; Ermanis, Kristaps; Armstrong, Roly J.","A stereodivergent multicomponent approach for the synthesis of C-N atropisomeric peptide analogues.","Chemical science","2024","15","40","16743","16751","10.1039/d4sc04700a","","x-ray","1.54184","CuKα","","0.0436","0.0387","","","0.1004","0.1042","","","","","","1.062","","","","has coordinates","295758","2024-11-04","11:27:01",""
"1573027","9.61","0.0002","9.7457","0.0002","15.681","0.0003","95.477","0.001","94.558","0.001","109.67","0.002","1366.82","0.05","150","0.2","150","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H34 N2 O2 -","- C33 H34 N2 O2 -","- C66 H68 N4 O4 -","2","1","","Roper, Natalie J.; Campbell, Aaron D. G.; Waddell, Paul G.; Brown, Alistair K.; Ermanis, Kristaps; Armstrong, Roly J.","A stereodivergent multicomponent approach for the synthesis of C-N atropisomeric peptide analogues.","Chemical science","2024","15","40","16743","16751","10.1039/d4sc04700a","","x-ray","1.54184","CuKα","","0.0397","0.0361","","","0.0915","0.0944","","","","","","1.061","","","","has coordinates","295758","2024-11-04","11:27:06",""
"1573028","10.9149","0.0001","20.5392","0.0002","11.4675","0.0001","90","","103.434","0.001","90","","2500.48","0.04","150","0.2","150","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 N2 O2 -","- C30 H30 N2 O2 -","- C120 H120 N8 O8 -","4","1","","Roper, Natalie J.; Campbell, Aaron D. G.; Waddell, Paul G.; Brown, Alistair K.; Ermanis, Kristaps; Armstrong, Roly J.","A stereodivergent multicomponent approach for the synthesis of C-N atropisomeric peptide analogues.","Chemical science","2024","15","40","16743","16751","10.1039/d4sc04700a","","x-ray","1.54184","CuKα","","0.0407","0.036","","","0.0929","0.096","","","","","","1.062","","","","has coordinates","295758","2024-11-04","11:27:08",""
"1573029","21.3491","0.0003","9.9395","0.0001","22.8671","0.0003","90","","90","","90","","4852.38","0.11","150","0.2","150","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H27 Br N2 O2 -","- C29 H27 Br N2 O2 -","- C232 H216 Br8 N16 O16 -","8","1","","Roper, Natalie J.; Campbell, Aaron D. G.; Waddell, Paul G.; Brown, Alistair K.; Ermanis, Kristaps; Armstrong, Roly J.","A stereodivergent multicomponent approach for the synthesis of C-N atropisomeric peptide analogues.","Chemical science","2024","15","40","16743","16751","10.1039/d4sc04700a","","x-ray","1.54184","CuKα","","0.0426","0.0378","","","0.0912","0.093","","","","","","1.193","","","","has coordinates","295758","2024-11-04","11:27:08",""
"1573030","10.2249","0.0003","12.0964","0.0003","22.9051","0.0004","85.525","0.002","78.49","0.002","68.897","0.003","2589.8","0.12","150","0.2","150","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H34 N2 O2 -","- C29 H34 N2 O2 -","- C116 H136 N8 O8 -","4","2","","Roper, Natalie J.; Campbell, Aaron D. G.; Waddell, Paul G.; Brown, Alistair K.; Ermanis, Kristaps; Armstrong, Roly J.","A stereodivergent multicomponent approach for the synthesis of C-N atropisomeric peptide analogues.","Chemical science","2024","15","40","16743","16751","10.1039/d4sc04700a","","x-ray","1.54184","CuKα","","0.0399","0.0351","","","0.0857","0.0905","","","","","","1.043","","","","has coordinates","295758","2024-11-04","11:27:09",""
"1573031","13.4362","0.0002","20.4573","0.0003","20.6327","0.0003","108.908","0.001","102.909","0.001","97.883","0.001","5092.84","0.14","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 I N2 O2 -","- C27 H29 I N2 O2 -","- C216 H232 I8 N16 O16 -","8","4","","Roper, Natalie J.; Campbell, Aaron D. G.; Waddell, Paul G.; Brown, Alistair K.; Ermanis, Kristaps; Armstrong, Roly J.","A stereodivergent multicomponent approach for the synthesis of C-N atropisomeric peptide analogues.","Chemical science","2024","15","40","16743","16751","10.1039/d4sc04700a","","x-ray","1.54184","CuKα","","0.03","0.0246","","","0.0673","0.0701","","","","","","1.075","","","","has coordinates,has disorder","295758","2024-11-04","11:27:09",""
"1573032","4.8827","0.0002","10.6999","0.0004","29.5508","0.0011","90","","90","","90","","1543.86","0.1","298","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","0.5","","Pinson, Dana M.; Eckstrom, Francesca D.; Ostrom, Gregory S.; McClain, K. Randall; Baldwin, Lawrence; Harvey, Benjamin Grant","[Ru]-Catalyzed Olefin Metathesis and Ethenolysis for the Synthesis and Recycling of Bio-Based Polycarbonates and Polycyanurates","Polymer Chemistry","2024","","","","","10.1039/D4PY00940A","","","1.54178","CuKα","","0.0318","0.0307","","","0.0805","0.0824","","","","","","1.095","","","","has coordinates","295770","2024-11-05","01:53:49",""
"1573033","15.9421","0.0005","8.679","0.0003","13.2926","0.0004","90","","101.624","0.001","90","","1801.46","0.1","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H22 O5 -","- C21 H22 O5 -","- C84 H88 O20 -","4","0.5","","Pinson, Dana M.; Eckstrom, Francesca D.; Ostrom, Gregory S.; McClain, K. Randall; Baldwin, Lawrence; Harvey, Benjamin Grant","[Ru]-Catalyzed Olefin Metathesis and Ethenolysis for the Synthesis and Recycling of Bio-Based Polycarbonates and Polycyanurates","Polymer Chemistry","2024","","","","","10.1039/D4PY00940A","","","0.71073","MoKα","","0.034","0.0287","","","0.0721","0.0787","","","","","","1.0918","","","","has coordinates","295770","2024-11-05","01:53:50",""
"1573034","13.0353","0.0005","11.7214","0.0005","20.182","0.0008","90","","107.691","0.001","90","","2937.8","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 N3 O6 -","- C33 H33 N3 O6 -","- C132 H132 N12 O24 -","4","1","","Pinson, Dana M.; Eckstrom, Francesca D.; Ostrom, Gregory S.; McClain, K. Randall; Baldwin, Lawrence; Harvey, Benjamin Grant","[Ru]-Catalyzed Olefin Metathesis and Ethenolysis for the Synthesis and Recycling of Bio-Based Polycarbonates and Polycyanurates","Polymer Chemistry","2024","","","","","10.1039/D4PY00940A","","","0.71073","MoKα","","0.0828","0.0665","","","0.1694","0.1828","","","","","","1.061","","","","has coordinates","295770","2024-11-05","01:53:50",""
"1573035","16.0516","0.0001","25.7006","0.0002","27.3571","0.0002","90","","91.647","0.001","90","","11281.1","0.14","120","0.1","120","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C119 H167 F12 N29 O12 P2 -","- C68 H92 F12 N28 O12 P2 -","- C272 H368 F48 N112 O48 P8 -","4","1","","Závodná, Aneta; Janovský, Petr; Kolařík, Václav; Ward, Jas S.; Prucková, Zdeňka; Rouchal, Michal; Rissanen, Kari; Vícha, Robert","Allosteric release of cucurbit[6]uril from a rotaxane using a molecular signal","Chemical Science","2024","","","","","10.1039/D4SC03970J","","x-ray","1.54184","CuKα","","0.0861","0.08","","","0.2415","0.2465","","","","","","1.06","","","","has coordinates,has disorder","295773","2024-11-05","23:11:21",""
"1573036","17.47878","0.0001","27.72924","0.00012","15.22975","0.00007","90","","90","","90","","7381.45","0.06","298","2","298","2","","","","","","","","6","A m a 2","A 2 -2a","40","","","","- C58 H91.5 F12 N26 O17.75 P2 -","- C58 H91.5 F12 N26 O17.75 P2 -","- C232 H366 F48 N104 O71 P8 -","4","0.5","","Závodná, Aneta; Janovský, Petr; Kolařík, Václav; Ward, Jas S.; Prucková, Zdeňka; Rouchal, Michal; Rissanen, Kari; Vícha, Robert","Allosteric release of cucurbit[6]uril from a rotaxane using a molecular signal","Chemical Science","2024","","","","","10.1039/D4SC03970J","","x-ray","1.54184","CuKα","","0.0387","0.0383","","","0.1092","0.1096","","","","","","1.04","","","","has coordinates,has disorder","295773","2024-11-05","23:11:22",""
"1573037","36.765","0.0001","36.765","0.0001","36.765","0.0001","90","","90","","90","","49694","0.2","120.01","0.1","120.01","0.1","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C67 H99 F12 N29 O14 P2 -","- C61 H86 F11.9996 N27 O12.5 P1.99993 -","- C1464 H2064 F287.99 N648 O300 P47.9984 -","24","1","","Závodná, Aneta; Janovský, Petr; Kolařík, Václav; Ward, Jas S.; Prucková, Zdeňka; Rouchal, Michal; Rissanen, Kari; Vícha, Robert","Allosteric release of cucurbit[6]uril from a rotaxane using a molecular signal","Chemical Science","2024","","","","","10.1039/D4SC03970J","","x-ray","1.54184","CuKα","","0.1189","0.113","","","0.3818","0.3864","","","","","","1.803","","","","has coordinates","295773","2024-11-05","23:11:22",""
"1573038","36.79372","0.00009","36.79372","0.00009","36.79372","0.00009","90","","90","","90","","49810.5","0.2","120","","120","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C67 H98 F12 N29 O14.5 P2 -","- C61 H83 F11.9996 N27 O12 P1.99993 -","- C1464 H1992 F287.99 N648 O288 P47.9984 -","24","1","","Závodná, Aneta; Janovský, Petr; Kolařík, Václav; Ward, Jas S.; Prucková, Zdeňka; Rouchal, Michal; Rissanen, Kari; Vícha, Robert","Allosteric release of cucurbit[6]uril from a rotaxane using a molecular signal","Chemical Science","2024","","","","","10.1039/D4SC03970J","","x-ray","1.54184","CuKα","","0.1234","0.1167","","","0.3824","0.3887","","","","","","1.775","","","","has coordinates","295773","2024-11-05","23:11:22",""
"1573039","11.454","0.0002","11.5998","0.0002","15.4489","0.0003","90","","90","","90","","2052.6","0.06","190","2","190","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H36 N2 O4 Os -","- C18 H36 N2 O4 Os -","- C72 H144 N8 O16 Os4 -","4","1","","Summersgill, Matthew D.; Gahan, Lawrence R.; Chow, Sharon; Pierens, Gregory K.; Bernhardt, Paul V.; Krenske, Elizabeth H.; Williams, Craig M.","Hyperstable alkenes: are they remarkably unreactive?","Chemical science","2024","15","46","19299","19306","10.1039/d4sc06697a","","x-ray","1.54184","CuKα","","0.0397","0.0384","","","0.0953","0.0965","","","","","","1.048","","","","has coordinates,has disorder","296414","2024-12-06","16:50:36",""
"1573040","14.241","0.003","13.816","0.002","22.522","0.004","90","","90","","90","","4431.3","1.4","190","2","190","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H40 N2 O5 Os -","- C19 H40 N2 O5 Os -","- C152 H320 N16 O40 Os8 -","8","1","","Summersgill, Matthew D.; Gahan, Lawrence R.; Chow, Sharon; Pierens, Gregory K.; Bernhardt, Paul V.; Krenske, Elizabeth H.; Williams, Craig M.","Hyperstable alkenes: are they remarkably unreactive?","Chemical science","2024","15","46","19299","19306","10.1039/d4sc06697a","","x-ray","1.54178","CuKα","","0.0536","0.0474","","","0.1317","0.1382","","","","","","1.057","","","","has coordinates,has disorder","296414","2024-12-06","16:50:37",""
"1573041","11.83321","0.0001","6.75791","0.00005","14.58577","0.00012","90","","106.275","0.0009","90","","1119.65","0.016","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O -","- C14 H15 N O -","- C56 H60 N4 O4 -","4","1","","Whalley, David M.; Carlino, Luca; Putra, Okky Dwichandra; Anderson, Niall A.; Coote, Susannah C.; Lorthioir, Olivier","Merging nucleophilic phosphine catalysis and photocatalysis for the rapid assembly of 2-oxabicyclo-[2.1.1]hexane scaffolds from feedstock allyl alcohols.","Chemical science","2024","15","46","19564","19570","10.1039/d4sc06684g","","x-ray","1.54184","CuKα","","0.0339","0.0332","","","0.08","0.0804","","","","","","1.051","","","","has coordinates","296419","2024-12-06","16:52:51",""
"1573042","5.72327","0.00003","7.75796","0.00005","24.60196","0.00014","90","","90","","90","","1092.35","0.011","100","0.1","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","","Whalley, David M.; Carlino, Luca; Putra, Okky Dwichandra; Anderson, Niall A.; Coote, Susannah C.; Lorthioir, Olivier","Merging nucleophilic phosphine catalysis and photocatalysis for the rapid assembly of 2-oxabicyclo-[2.1.1]hexane scaffolds from feedstock allyl alcohols.","Chemical science","2024","15","46","19564","19570","10.1039/d4sc06684g","","x-ray","1.54184","CuKα","","0.0247","0.0245","","","0.0624","0.0626","","","","","","1.061","","","","has coordinates","296419","2024-12-06","16:52:55",""
"1573043","9.0906","0.0008","9.1054","0.0005","9.2735","0.0005","62.149","0.006","61.589","0.007","65.472","0.007","578.3","0.08","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H36 N4 -","- C28 H36 N4 -","- C28 H36 N4 -","1","0.5","","Sun, Yuhua; Kitahara, Riku; Ichino, Tomoya; Ide, Yuki; Senboku, Hisanori; Shimizu, Soji; Tanaka, Takayuki; Inokuma, Yasuhide","Cyclo[4]pyrrole with <i>α</i>-<i>β</i> direct linkages.","Chemical science","2024","15","46","19571","19576","10.1039/d4sc06670g","","x-ray","0.71073","MoKα","","0.0435","0.0407","","","0.1015","0.1035","","","","","","1.039","","","","has coordinates","296410","2024-12-06","16:48:34",""
"1573044","12.813","0.0005","13.3344","0.0005","14.2787","0.0006","90","","91.632","0.004","90","","2438.58","0.17","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H37 N3 O2 -","- C28 H37 N3 O2 -","- C112 H148 N12 O8 -","4","1","","Sun, Yuhua; Kitahara, Riku; Ichino, Tomoya; Ide, Yuki; Senboku, Hisanori; Shimizu, Soji; Tanaka, Takayuki; Inokuma, Yasuhide","Cyclo[4]pyrrole with <i>α</i>-<i>β</i> direct linkages.","Chemical science","2024","15","46","19571","19576","10.1039/d4sc06670g","","x-ray","0.71073","MoKα","","0.0514","0.0433","","","0.1144","0.1184","","","","","","1.062","","","","has coordinates","296410","2024-12-06","16:48:36",""
"1573045","13.37","0.006","15.247","0.008","16.3","0.006","87.59","0.02","75.11","0.02","79.81","0.02","3161","2","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H44 B Cl4 F20 N O P2 -","- C66 H44 B Cl4 F20 N O P2 -","- C132 H88 B2 Cl8 F40 N2 O2 P4 -","2","1","","You, Lijun; Roth, Daniel; Greb, Lutz","Structural Constraint at a P–P Bond: Phosphinophosphination of Alkenes, Alkynes, and Carbonyls by a Concerted Mechanism","Chemical Science","2024","","","","","10.1039/D4SC06581F","","x-ray","0.71073","MoKα","","0.0714","0.059","","","0.1533","0.1614","","","","","","1.023","","","","has coordinates,has disorder","295777","2024-11-05","23:15:00",""
"1573046","10.1018","0.0013","31.87","0.006","18.321","0.003","90","","92.637","0.015","90","","5892.1","1.7","120","2","120","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C63 H48 B Cl2 F20 N O P2 -","- C63 H48 B Cl2 F20 N O P2 -","- C252 H192 B4 Cl8 F80 N4 O4 P8 -","4","1","","You, Lijun; Roth, Daniel; Greb, Lutz","Structural Constraint at a P–P Bond: Phosphinophosphination of Alkenes, Alkynes, and Carbonyls by a Concerted Mechanism","Chemical Science","2024","","","","","10.1039/D4SC06581F","","x-ray","0.71073","MoKα","","0.0812","0.0422","","","0.0886","0.1055","","","","","","1.068","","","","has coordinates","295777","2024-11-05","23:15:01",""
"1573047","13.124","0.008","16.183","0.014","17.493","0.013","110.67","0.03","95.58","0.02","113.696","0.018","3057","4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H42 B F20 N O P2 -","- C65 H42 B F20 N O P2 -","- C130 H84 B2 F40 N2 O2 P4 -","2","1","","You, Lijun; Roth, Daniel; Greb, Lutz","Structural Constraint at a P–P Bond: Phosphinophosphination of Alkenes, Alkynes, and Carbonyls by a Concerted Mechanism","Chemical Science","2024","","","","","10.1039/D4SC06581F","","x-ray","0.71073","MoKα","","0.0862","0.0512","","","0.1253","0.1461","","","","","","1.015","","","","has coordinates","295777","2024-11-05","23:15:01",""
"1573048","12.944","0.005","13.582","0.004","19.223","0.007","103.948","0.013","103.841","0.014","97.75","0.013","3117.5","1.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32.5 H34 Cl2 N O P2 -","- C32.5 H34 Cl2 N O P2 -","- C130 H136 Cl8 N4 O4 P8 -","4","2","","You, Lijun; Roth, Daniel; Greb, Lutz","Structural Constraint at a P–P Bond: Phosphinophosphination of Alkenes, Alkynes, and Carbonyls by a Concerted Mechanism","Chemical Science","2024","","","","","10.1039/D4SC06581F","","x-ray","0.71073","MoKα","","0.0684","0.0565","","","0.1423","0.1546","","","","","","1.089","","","","has coordinates,has disorder","295777","2024-11-05","23:15:02",""
"1573049","14.195","0.007","15.574","0.007","16.591","0.008","82.59","0.02","77.118","0.018","64.527","0.016","3226","3","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C71 H48 B Cl2 F20 N O P2 -","- C71 H48 B Cl2 F20 N O P2 -","- C142 H96 B2 Cl4 F40 N2 O2 P4 -","2","1","","You, Lijun; Roth, Daniel; Greb, Lutz","Structural Constraint at a P–P Bond: Phosphinophosphination of Alkenes, Alkynes, and Carbonyls by a Concerted Mechanism","Chemical Science","2024","","","","","10.1039/D4SC06581F","","x-ray","0.71073","MoKα","","0.07","0.0494","","","0.1215","0.1345","","","","","","1.056","","","","has coordinates,has disorder","295777","2024-11-05","23:15:03",""
"1573050","13.127","0.004","16.617","0.004","17.814","0.006","114.495","0.014","98.862","0.018","91.899","0.018","3473.5","1.8","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C71 H58 B Cl4 F20 N O P2 -","- C71 H58 B Cl4 F20 N O P2 -","- C142 H116 B2 Cl8 F40 N2 O2 P4 -","2","1","","You, Lijun; Roth, Daniel; Greb, Lutz","Structural Constraint at a P–P Bond: Phosphinophosphination of Alkenes, Alkynes, and Carbonyls by a Concerted Mechanism","Chemical Science","2024","","","","","10.1039/D4SC06581F","","x-ray","0.71073","MoKα","","0.0624","0.0509","","","0.1314","0.1416","","","","","","1.032","","","","has coordinates,has disorder","295777","2024-11-05","23:15:04",""
"1573051","20.836","0.013","18.713","0.009","29.74","0.014","90","","90","","90","","11596","11","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C48 H34 Al F36 N O5 P2 -","- C48 H34 Al F36 N O5 P2 -","- C384 H272 Al8 F288 N8 O40 P16 -","8","1","","You, Lijun; Roth, Daniel; Greb, Lutz","Structural Constraint at a P–P Bond: Phosphinophosphination of Alkenes, Alkynes, and Carbonyls by a Concerted Mechanism","Chemical Science","2024","","","","","10.1039/D4SC06581F","","x-ray","0.71073","MoKα","","0.0659","0.0445","","","0.1137","0.1326","","","","","","1.018","","","","has coordinates,has disorder","295777","2024-11-05","23:15:06",""
"1573052","11.884","0.003","16.729","0.004","31.882","0.007","90","","96.442","0.009","90","","6298","3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H40 B F20 N O2 P2 -","- C63 H40 B F20 N O2 P2 -","- C252 H160 B4 F80 N4 O8 P8 -","4","1","","You, Lijun; Roth, Daniel; Greb, Lutz","Structural Constraint at a P–P Bond: Phosphinophosphination of Alkenes, Alkynes, and Carbonyls by a Concerted Mechanism","Chemical Science","2024","","","","","10.1039/D4SC06581F","","x-ray","0.71073","MoKα","","0.0432","0.0384","","","0.102","0.1066","","","","","","1.032","","","","has coordinates","295777","2024-11-05","23:15:06",""
"1573053","50.046","0.015","10.705","0.004","27.527","0.008","90","","123.266","0.007","90","","12331","7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C64 H42 B F20 N O2 P2 -","- C64 H42 B F20 N O2 P2 -","- C512 H336 B8 F160 N8 O16 P16 -","8","1","","You, Lijun; Roth, Daniel; Greb, Lutz","Structural Constraint at a P–P Bond: Phosphinophosphination of Alkenes, Alkynes, and Carbonyls by a Concerted Mechanism","Chemical Science","2024","","","","","10.1039/D4SC06581F","","x-ray","0.71073","MoKα","","0.0487","0.0394","","","0.0989","0.1066","","","","","","1.037","","","","has coordinates","295777","2024-11-05","23:15:07",""
"1573054","27.4244","0.0004","13.2628","0.0002","16.687","0.0002","90","","121.774","0.001","90","","5159.85","0.14","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","Glucose-BPAT","","- C54 H62.56 Cl2 N6 O15.82 -","- C54 H62.56 Cl2 N6 O15.815 -","- C216 H250.24 Cl8 N24 O63.26 -","4","1","","Zhai, Canjia; Zulueta, Ethan Cross; Mariscal, Alexander; Xu, Chengkai; Cui, Yunpeng; Wang, Xudong; Wu, Huang; Doan, Carson; Wojtas, Lukasz; Zhang, Haixin; Cai, Jianfeng; Ye, Libin; Wang, Kun; Liu, Wenqi","From small changes to big gains: pyridinium-based tetralactam macrocycle for enhanced sugar recognition in water.","Chemical science","2024","15","46","19588","19598","10.1039/d4sc06190j","","x-ray","1.54178","CuKα","","0.0423","0.0404","","","0.1129","0.1147","","","","","","1.05","","","","has coordinates,has disorder","296408","2024-12-06","16:48:05",""
"1573055","9.65444","0.00008","11.52287","0.0001","25.33694","0.00019","90","","90","","90","","2818.65","0.04","172.99","0.1","172.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 Br N O7 S -","- C29 H32 Br N O7 S -","- C116 H128 Br4 N4 O28 S4 -","4","1","","Yang, Gongming; Liu, Shangde; Ji, Shujie; Wu, Xingsen; Wang, Jian","Pd/NHC sequentially catalyzed atroposelective synthesis of planar-chiral macrocycles.","Chemical science","2024","15","46","19599","19603","10.1039/d4sc05482b","","x-ray","1.54184","CuKα","","0.0448","0.0447","","","0.1203","0.1204","","","","","","1.082","","","","has coordinates","296407","2024-12-06","16:47:48",""
"1573056","6.7432","0.0002","24.8499","0.0009","31.0273","0.0011","90","","90","","90","","5199.2","0.3","200","","200","","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C23 H20 O6 Y -","- C23 H20 O6 Y -","- C184 H160 O48 Y8 -","8","0.5","","Ma, Lu-Lu; Zolotarev, Pavel N.; Zhou, Kang; Zhou, Xin; Liu, Jiaqi; Miao, Jiafeng; Li, Shenfang; Yang, Guo-Ping; Wang, Yao-Yu; Proserpio, Davide M.; Li, Jing; Wang, Hao","Three in one: engineering MOF channels <i>via</i> coordinated water arrays for regulated separation of alkanes and alkenes.","Chemical science","2024","15","46","19556","19563","10.1039/d4sc05286b","","","0.71073","MoKα","","0.0558","0.0392","","","0.0951","0.1032","","","","","","1.045","","","","has coordinates,has disorder","296421","2024-12-06","16:53:18",""
"1573057","6.7374","0.0007","24.87","0.003","30.881","0.004","90","","90","","90","","5174.4","1.1","253","","253","","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C23 H20 O6 Y -","- C23 H20 O6 Y -","- C184 H160 O48 Y8 -","8","0.5","","Ma, Lu-Lu; Zolotarev, Pavel N.; Zhou, Kang; Zhou, Xin; Liu, Jiaqi; Miao, Jiafeng; Li, Shenfang; Yang, Guo-Ping; Wang, Yao-Yu; Proserpio, Davide M.; Li, Jing; Wang, Hao","Three in one: engineering MOF channels <i>via</i> coordinated water arrays for regulated separation of alkanes and alkenes.","Chemical science","2024","15","46","19556","19563","10.1039/d4sc05286b","","","1.54178","CuKα","","0.1308","0.0982","","","0.2399","0.2661","","","","","","1.01","","","","has coordinates,has disorder","296421","2024-12-06","16:53:19",""
"1573058","10.8789","0.0015","7.2613","0.0008","10.8143","0.0013","90","","108.529","0.013","90","","809.99","0.18","292.15","","292.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Br Ga O7 Te3 -","- Br Ga O7 Te3 -","- Br4 Ga4 O28 Te12 -","4","1","","Zhou, Dan-Dan; Hu, Chun-Li; Zhang, Xin-Wei; Mao, Jiang-Gao; Kong, Fang","Noncentrosymmetric tellurite halides created by a depolymerization strategy: toward strong SHG intensity and wide bandgap.","Chemical science","2024","15","47","19920","19927","10.1039/d4sc06403h","","","0.71073","MoKα","","0.0378","0.0267","","","0.0448","0.0497","","","","","","1.03","","","","has coordinates","296346","2024-12-06","16:11:01",""
"1573059","16.0138","0.0004","7.0036","0.0002","8.4023","0.0002","90","","90","","90","","942.35","0.04","297.99","0.1","298.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Br Ga2 O9 Te3 -","- Br Ga2 O9 Te3 -","- Br4 Ga8 O36 Te12 -","4","1","","Zhou, Dan-Dan; Hu, Chun-Li; Zhang, Xin-Wei; Mao, Jiang-Gao; Kong, Fang","Noncentrosymmetric tellurite halides created by a depolymerization strategy: toward strong SHG intensity and wide bandgap.","Chemical science","2024","15","47","19920","19927","10.1039/d4sc06403h","","","0.71073","MoKα","","0.0254","0.0247","","","0.0583","0.0586","","","","","","1.11","","","","has coordinates","296346","2024-12-06","16:11:01",""
"1573060","15.7796","0.0005","6.8824","0.0002","8.2042","0.0002","90","","90","","90","","890.99","0.04","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Al2 Br O9 Te3 -","- Al2 Br O9 Te3 -","- Al8 Br4 O36 Te12 -","4","1","","Zhou, Dan-Dan; Hu, Chun-Li; Zhang, Xin-Wei; Mao, Jiang-Gao; Kong, Fang","Noncentrosymmetric tellurite halides created by a depolymerization strategy: toward strong SHG intensity and wide bandgap.","Chemical science","2024","15","47","19920","19927","10.1039/d4sc06403h","","","0.71073","MoKα","","0.0217","0.0213","","","0.0517","0.0519","","","","","","1.063","","","","has coordinates","296346","2024-12-06","16:11:01",""
"1573061","15.7196","0.0012","6.9503","0.0007","8.354","0.0008","90","","90","","90","","912.72","0.14","294.15","","294.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Cl Ga2 O9 Te3 -","- Cl Ga2 O9 Te3 -","- Cl4 Ga8 O36 Te12 -","4","1","","Zhou, Dan-Dan; Hu, Chun-Li; Zhang, Xin-Wei; Mao, Jiang-Gao; Kong, Fang","Noncentrosymmetric tellurite halides created by a depolymerization strategy: toward strong SHG intensity and wide bandgap.","Chemical science","2024","15","47","19920","19927","10.1039/d4sc06403h","","","0.71073","MoKα","","0.0281","0.0273","","","0.0654","0.0658","","","","","","1.197","","","","has coordinates","296346","2024-12-06","16:11:01",""
"1573062","15.5617","0.0014","6.8243","0.0007","8.1594","0.0008","90","","90","","90","","866.51","0.15","293.08","0.1","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Al2 Cl O9 Te3 -","- Al2 Cl O9 Te3 -","- Al8 Cl4 O36 Te12 -","4","1","","Zhou, Dan-Dan; Hu, Chun-Li; Zhang, Xin-Wei; Mao, Jiang-Gao; Kong, Fang","Noncentrosymmetric tellurite halides created by a depolymerization strategy: toward strong SHG intensity and wide bandgap.","Chemical science","2024","15","47","19920","19927","10.1039/d4sc06403h","","","0.71073","MoKα","","0.0325","0.0293","","","0.092","0.0954","","","","","","0.97","","","","has coordinates","296346","2024-12-06","16:11:01",""
"1573063","15.8664","0.0014","6.9672","0.0006","8.3796","0.0007","90","","90","","90","","926.32","0.14","292.15","","292.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- Br0.5 Cl0.5 Ga2 O9 Te3 -","- Br0.5 Cl0.5 Ga2 O9 Te3 -","- Br2 Cl2 Ga8 O36 Te12 -","4","1","","Zhou, Dan-Dan; Hu, Chun-Li; Zhang, Xin-Wei; Mao, Jiang-Gao; Kong, Fang","Noncentrosymmetric tellurite halides created by a depolymerization strategy: toward strong SHG intensity and wide bandgap.","Chemical science","2024","15","47","19920","19927","10.1039/d4sc06403h","","","0.71073","MoKα","","0.0282","0.0273","","","0.0617","0.0627","","","","","","1.0342","","","","has coordinates","296346","2024-12-06","16:11:01",""
"1573064","9.7354","0.0002","15.3138","0.0002","9.9359","0.0002","90","","105.393","0.002","90","","1428.17","0.05","100.01","0.15","100.01","0.15","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","1","","Pal, Souvik; Majumder, Satyajit; Niyogi, Sovan; Shyamal, Pranay; Mondal, Debabrata; Das, Bishnu; Bisai, Alakesh","Total synthesis of atropodiastereomers of heterodimeric <i>Amaryllidaceae</i> alkaloids: narcipavline and narcikachnine.","Chemical science","2024","15","47","19851","19857","10.1039/d4sc04361h","","x-ray","1.54184","CuKα","","0.0408","0.0376","","","0.0999","0.1028","","","","","","1.057","","","","has coordinates","296342","2024-12-06","15:50:54",""
"1573065","13.1948","0.0003","4.7605","0.0001","14.5444","0.0004","90","","102.504","0.003","90","","891.92","0.04","99.98","0.11","99.98","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 I O5 -","- C18 H21 I O5 -","- C36 H42 I2 O10 -","2","1","","Pal, Souvik; Majumder, Satyajit; Niyogi, Sovan; Shyamal, Pranay; Mondal, Debabrata; Das, Bishnu; Bisai, Alakesh","Total synthesis of atropodiastereomers of heterodimeric <i>Amaryllidaceae</i> alkaloids: narcipavline and narcikachnine.","Chemical science","2024","15","47","19851","19857","10.1039/d4sc04361h","","x-ray","1.54184","CuKα","","0.0323","0.0309","","","0.0764","0.0774","","","","","","1.079","","","","has coordinates","296342","2024-12-06","15:50:55",""
"1573066","11.5497","0.0002","13.3748","0.0003","19.9348","0.0003","90","","101.134","0.002","90","","3021.47","0.1","100","0.16","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 N2 O6 -","- C36 H40 N2 O6 -","- C144 H160 N8 O24 -","4","1","","Pal, Souvik; Majumder, Satyajit; Niyogi, Sovan; Shyamal, Pranay; Mondal, Debabrata; Das, Bishnu; Bisai, Alakesh","Total synthesis of atropodiastereomers of heterodimeric <i>Amaryllidaceae</i> alkaloids: narcipavline and narcikachnine.","Chemical science","2024","15","47","19851","19857","10.1039/d4sc04361h","","","1.54184","CuKα","","0.0662","0.0535","","","0.1481","0.1595","","","","","","1.046","","","","has coordinates","296342","2024-12-06","15:50:55",""
"1573067","13.88904","0.00006","26.07802","0.00012","20.16258","0.00009","90","","92.9187","0.0004","90","","7293.39","0.06","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H51 B N4 O2 Zn -","- C36 H51 B N4 O2 Zn -","- C288 H408 B8 N32 O16 Zn8 -","8","2","","Griffin, Liam P.; Aldridge, Simon","Zinc borylation and reduction by a diborane(4) species <i>via</i> B-O bond formation.","Chemical science","2024","15","46","19577","19582","10.1039/d4sc06389a","","x-ray","1.54184","CuKα","","0.044","0.0386","","","0.1089","0.1124","","","","","","1.079","","","","has coordinates","296411","2024-12-06","16:49:22",""
"1573068","8.6093","0.0001","29.1368","0.0003","14.2475","0.0002","90","","91.376","0.001","90","","3572.92","0.07","149.98","0.16","149.98","0.16","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H53 I N4 Zn -","- C30 H39 I N4 Zn -","- C120 H156 I4 N16 Zn4 -","4","1","","Griffin, Liam P.; Aldridge, Simon","Zinc borylation and reduction by a diborane(4) species <i>via</i> B-O bond formation.","Chemical science","2024","15","46","19577","19582","10.1039/d4sc06389a","","x-ray","1.54184","CuKα","","0.0286","0.025","","","0.0606","0.0622","","","","","","1.039","","","","has coordinates","296411","2024-12-06","16:49:23",""
"1573069","16.1404","0.0002","15.1592","0.0001","19.0592","0.0002","90","","101.428","0.001","90","","4570.87","0.08","149.98","0.11","149.98","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H65 B N4 O Zn -","- C49 H65 B N4 O Zn -","- C196 H260 B4 N16 O4 Zn4 -","4","1","","Griffin, Liam P.; Aldridge, Simon","Zinc borylation and reduction by a diborane(4) species <i>via</i> B-O bond formation.","Chemical science","2024","15","46","19577","19582","10.1039/d4sc06389a","","x-ray","1.54184","CuKα","","0.0392","0.0319","","","0.0863","0.0921","","","","","","1.033","","","","has coordinates,has disorder","296411","2024-12-06","16:49:23",""
"1573070","21.7767","0.0002","10.9167","0.0001","36.1028","0.0004","90","","90","","90","","8582.71","0.15","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C46 H58 N4 Zn2 -","- C46 H58 N4 Zn2 -","- C368 H464 N32 Zn16 -","8","1","","Griffin, Liam P.; Aldridge, Simon","Zinc borylation and reduction by a diborane(4) species <i>via</i> B-O bond formation.","Chemical science","2024","15","46","19577","19582","10.1039/d4sc06389a","","x-ray","1.54184","CuKα","","0.0918","0.0803","","","0.1783","0.1829","","","","","","1.162","","","","has coordinates","296411","2024-12-06","16:49:23",""
"1573071","14.94854","0.00006","11.8092","0.00005","16.28848","0.00006","90","","91.313","0.0004","90","","2874.66","0.02","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H82 B2 N4 O6 Zn2 -","- C58 H82 B2 N4 O6 Zn2 -","- C116 H164 B4 N8 O12 Zn4 -","2","0.5","","Griffin, Liam P.; Aldridge, Simon","Zinc borylation and reduction by a diborane(4) species <i>via</i> B-O bond formation.","Chemical science","2024","15","46","19577","19582","10.1039/d4sc06389a","","x-ray","1.54184","CuKα","","0.0323","0.0316","","","0.0858","0.0864","","","","","","1.095","","","","has coordinates,has disorder","296411","2024-12-06","16:49:23",""
"1573072","37.282","0.002","7.7234","0.0005","10.7769","0.0006","90","","90","","90","","3103.1","0.3","193.15","","193.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C32 H20 F18 N2 -","- C32 H20 F18.0005 N2 -","- C128 H80 F72.002 N8 -","4","1","","Wang, leibing; Feng, Zhongyu; Luo, Zhen; Guo, Zihao; Wang , Jieping; Yi, WenBin","Direct synthesis of N-perfluoro-tert-butyl secondary amines from N-trifluoromethyl secondary amines","Chemical Science","2024","","","","","10.1039/D4SC06335J","","","1.34139","GaKα","","0.0916","0.0721","","","0.1499","0.1597","","","","","","1.088","","","","has coordinates,has disorder","295804","2024-11-06","23:12:07",""
"1573073","43.754","0.011","9.85","0.003","17.372","0.005","90","","95.708","0.016","90","","7450","4","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H55 Br N O P -","- C43 H55 Br N O P -","- C344 H440 Br8 N8 O8 P8 -","8","1","","Qu, Hao-Ting; Partanen, Iida; Chang, Kai-Hsin; Lin, Yan-Ding; Koshevoy, Igor O.; Belyaev, Andrey; Chou, Pi-Tai","Insights into the photoinduced anion translocation of donor-π-acceptor<sup>+</sup> (ion)<sup>-</sup> molecules.","Chemical science","2024","15","47","20045","20055","10.1039/d4sc04738a","","","0.71073","MoKα","","0.0867","0.045","","","0.0847","0.0967","","","","","","0.983","","","","has coordinates","296443","2024-12-06","17:18:49",""
"1573074","7.7696","0.0004","15.7256","0.0008","19.9214","0.001","97.434","0.002","92.683","0.002","90.008","0.002","2410.9","0.2","170","","170","","","","","","","","","5","P 1","P 1","1","","8","","- C19 H14 N4 O2 S4 -","- C19 H14 N4 O2 S4 -","- C76 H56 N16 O8 S16 -","4","4","","Zhang, Guanlun; Wu, Xu; Mao, Shiyu; Li, Mengqi; Hu, Honglong; Shi, Bing-Feng; Zhu, Wei-Hong","Pd(ii)-catalyzed enantioselective C-H olefination and photoregulation of sterically hindered diarylethenes.","Chemical science","2024","15","47","20013","20021","10.1039/d4sc05375c","","","1.34139","GaKα","","0.0936","0.0665","","","0.1691","0.189","","","","","","1.037","","","","has coordinates","296343","2024-12-06","15:51:21",""
"1573075","9.8157","0.0002","11.2682","0.0003","14.0489","0.0004","102.996","0.001","101.657","0.001","114.452","0.001","1299.74","0.06","150","","150","","","","","","","","","5","P -1","-P 1","2","","(4-benzoyl-11-bromo-3-phenyl-3,4-dihydro-2H-1,3-methanopyridazino[6,1-a]isoquinolin-1(11bH)-yl)(1-methyl-1H-imidazol-2-yl)methanone","","- C31 H25 Br N4 O2 -","- C31 H26 Br N4 O2 -","- C62 H52 Br2 N8 O4 -","2","1","","Yang, Xue-Chun; Wu, Feng; Wu, Wen-Biao; Zhang, Xu; Feng, Jian-Jun","Enantioselective dearomative formal (3+3) cycloadditions of bicyclobutanes with aromatic azomethine imines: access to fused 2,3-diazabicyclo[3.1.1]heptanes.","Chemical science","2024","15","46","19488","19495","10.1039/d4sc06334a","","","1.54178","CuKα","","0.0252","0.0242","","","0.0623","0.0626","","","","","","1.053","","","","has coordinates","296422","2024-12-06","16:53:35",""
"1573076","10.8729","0.0002","12.8772","0.0001","10.9786","0.0002","90","","112.161","0.002","90","","1423.59","0.04","172.99","0.1","172.99","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","(R)-(9-bromo-1-(1-methyl-1H-imidazole-2-carbonyl)-3-phenyl-1,2,3,11b-tetrahydro-4H-1,3-methanopyridazino[6,1-a]isoquinolin-4-yl)(4-(trifluoromethyl)phenyl)methanone","","- C32 H24 Br F3 N4 O2 -","- C32 H24 Br F3 N4 O2 -","- C64 H48 Br2 F6 N8 O4 -","2","1","","Yang, Xue-Chun; Wu, Feng; Wu, Wen-Biao; Zhang, Xu; Feng, Jian-Jun","Enantioselective dearomative formal (3+3) cycloadditions of bicyclobutanes with aromatic azomethine imines: access to fused 2,3-diazabicyclo[3.1.1]heptanes.","Chemical science","2024","15","46","19488","19495","10.1039/d4sc06334a","","x-ray","1.54184","CuKα","","0.0334","0.0322","","","0.0822","0.0842","","","","","","1.088","","","","has coordinates","296422","2024-12-06","16:53:37",""
"1573077","7.5555","0.0009","15.7119","0.0017","7.4892","0.0008","90","","90","","90","","889.05","0.17","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3a<i>H</i>,4<i>H</i>,5<i>H</i>,8<i>H</i>,9<i>H</i>,9a<i>H</i>-Cycloocta[<i>d</i>][1,3]dioxole-2-thione","","- C9 H12 O2 S -","- C9 H12 O2 S -","- C36 H48 O8 S4 -","4","1","BT4155","Schollmeyer, Dieter; Kammler, Claudia; Detert, Heiner","3aH,4H,5H,8H,9H,9aH-Cycloocta[d][1,3]dioxole-2-thione","IUCrData","2024","9","11","","","10.1107/S2414314624010198","","","0.71073","MoKα","","0.1109","0.0698","","","0.1361","0.1594","","","","","","1.096","","","","has coordinates,has disorder","295857","2024-11-09","02:56:02",""
"1573078","8.6822","0.0002","10.0623","0.0002","16.5504","0.0004","77.201","0.001","84.053","0.001","73.839","0.001","1352.89","0.05","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","2-Amino-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile","","- C14 H12 N2 O2 S -","- C14 H12 N2 O2 S -","- C56 H48 N8 O8 S4 -","4","2","BH4090","Nyapola, Carren; Zamisa, Sizwe J.; Njogu, Eric M.; Omondi, Bernard","2-Amino-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile","IUCrData","2024","9","11","","","10.1107/S2414314624010496","","x-ray","0.71073","MoKα","","0.0611","0.0438","","","0.1147","0.1271","","","","","","1.053","","","","has coordinates,has disorder","295858","2024-11-09","02:56:22",""
"1573079","7.5771","0.0005","21.128","0.0014","11.2665","0.0007","90","","95.835","0.002","90","","1794.3","0.2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Tris(4-chlorophenyl) phosphate","Tris(4-chlorophenyl) phosphate","","- C18 H12 Cl3 O4 P -","- C18 H12 Cl3 O4 P -","- C72 H48 Cl12 O16 P4 -","4","1","HB4490","Birch, Joshua; Hosten, Eric Cyriel; Betz, Richard","Tris(4-chlorophenyl) phosphate","IUCrData","2024","9","11","","","10.1107/S2414314624010617","","","0.71073","MoKα","","0.0443","0.0376","","","0.0912","0.0969","","","","","","1.118","","","","has coordinates","295859","2024-11-09","02:56:41",""
"1573080","47.848","0.005","14.2452","0.0014","27.679","0.002","90","","90","","90","","18866","3","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","1,4-Bis(neopentyloxy)pillar[5]arene","","- C95 H140 N2 O10 -","- C95 H140 N2 O10 -","- C760 H1120 N16 O80 -","8","0.5","BT4159","Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F.","Structural insights into 1,4-bis(neopentyloxy)pillar[5]arene and the pyridine host–guest system","IUCrData","2024","9","11","","","10.1107/S2414314624010733","","","0.71075","MoKα","","0.1504","0.0678","","","0.1548","0.1921","","","","","","0.993","","","","has coordinates,has disorder","295860","2024-11-09","02:57:07",""
"1573081","15.11","0.003","13.307","0.003","19.705","0.004","90","","98.83","0.03","90","","3915.1","1.5","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H24 Cr F9 N6 O14 S3 -","- C33 H24 Cr F9 N6 O14 S3 -","- C132 H96 Cr4 F36 N24 O56 S12 -","4","1","","Reichenauer, Florian; Naumann, Robert; Förster, Christoph; Kitzmann, Winald Robert Robert; Reponen, Antti-Pekka M.; Feldmann, Sascha; Heinze, Katja","Bridge Editing of Spin-Flip Emitters gives Insight into Excited State Energies and Dynamics","Chemical Science","2024","","","","","10.1039/D4SC05860G","","","0.71073","MoKα","","0.1019","0.057","","","0.1002","0.1174","","","","","","1.112","","","","has coordinates","295868","2024-11-11","23:08:55",""
"1573082","12.378","0.003","9.0617","0.0018","12.393","0.003","90","","99.98","0.03","90","","1369","0.6","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 N3 S2 -","- C15 H11 N3 S2 -","- C60 H44 N12 S8 -","4","0.5","","Reichenauer, Florian; Naumann, Robert; Förster, Christoph; Kitzmann, Winald Robert Robert; Reponen, Antti-Pekka M.; Feldmann, Sascha; Heinze, Katja","Bridge Editing of Spin-Flip Emitters gives Insight into Excited State Energies and Dynamics","Chemical Science","2024","","","","","10.1039/D4SC05860G","","","0.71073","MoKα","","0.0409","0.0348","","","0.0905","0.0948","","","","","","1.055","","","","has coordinates","295868","2024-11-11","23:08:56",""
"1573083","14.7224","0.0003","13.3391","0.0003","22.869","0.0005","90","","93.81","0.002","90","","4481.17","0.17","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35.5 H27 Cr F9 N7 O9.5 S7 -","- C35.5 H27 Cr F9 N7 O9.5 S7 -","- C142 H108 Cr4 F36 N28 O38 S28 -","4","1","","Reichenauer, Florian; Naumann, Robert; Förster, Christoph; Kitzmann, Winald Robert Robert; Reponen, Antti-Pekka M.; Feldmann, Sascha; Heinze, Katja","Bridge Editing of Spin-Flip Emitters gives Insight into Excited State Energies and Dynamics","Chemical Science","2024","","","","","10.1039/D4SC05860G","","","0.71073","MoKα","","0.0618","0.042","","","0.1142","0.1213","","","","","","1.041","","","","has coordinates,has disorder","295868","2024-11-11","23:08:57",""
"1573084","27.9576","0.0001","27.9576","0.0001","15.5123","0.0001","90","","90","","90","","12124.8","0.1","149.99","0.1","149.99","0.1","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C57 H78 N4 O P2 -","- C57 H78 N4 O P2 -","- C456 H624 N32 O8 P16 -","8","1","","Lin, Jieli; Liu, Shihua; Zheng, Shunlin; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Diphosphaenones: beyond the phosphorus analogue of enones.","Chemical science","2024","15","47","20030","20038","10.1039/d4sc06462c","","x-ray","1.54184","CuKα","","0.0342","0.033","","","0.0896","0.0904","","","","","","1.068","","","","has coordinates","296347","2024-12-06","16:15:01",""
"1573085","15.1737","0.0002","20.6058","0.0002","20.9842","0.0003","90","","90","","90","","6561.05","0.14","155","8","155","8","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H99 N5 O P2 Si2 -","- C64 H99 N5 O P2 Si2 -","- C256 H396 N20 O4 P8 Si8 -","4","1","","Lin, Jieli; Liu, Shihua; Zheng, Shunlin; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Diphosphaenones: beyond the phosphorus analogue of enones.","Chemical science","2024","15","47","20030","20038","10.1039/d4sc06462c","","x-ray","1.54184","CuKα","","0.046","0.0436","","","0.114","0.1172","","","","","","1.046","","","","has coordinates","296347","2024-12-06","16:15:01",""
"1573086","10.51","0.0002","18.2431","0.0003","30.1703","0.0007","90","","90","","90","","5784.7","0.2","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C63 H82 N4 O P2 -","- C63 H82 N4 O P2 -","- C252 H328 N16 O4 P8 -","4","1","","Lin, Jieli; Liu, Shihua; Zheng, Shunlin; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Diphosphaenones: beyond the phosphorus analogue of enones.","Chemical science","2024","15","47","20030","20038","10.1039/d4sc06462c","","x-ray","1.54184","CuKα","","0.0893","0.0708","","","0.1789","0.1909","","","","","","1.049","","","","has coordinates,has disorder","296347","2024-12-06","16:15:01",""
"1573087","13.0834","0.0002","13.3184","0.0002","20.9406","0.0003","79.701","0.001","86.771","0.001","80.675","0.001","3541.26","0.09","149.9","0.6","149.9","0.6","","","","","","","","7","P -1","-P 1","2","","","","- C73 H93 F6 N4 O3 P2 S -","- C73 H93 F6 N4 O3 P2 S -","- C146 H186 F12 N8 O6 P4 S2 -","2","1","","Lin, Jieli; Liu, Shihua; Zheng, Shunlin; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Diphosphaenones: beyond the phosphorus analogue of enones.","Chemical science","2024","15","47","20030","20038","10.1039/d4sc06462c","","x-ray","1.54184","CuKα","","0.0652","0.0587","","","0.1671","0.1743","","","","","","1.038","","","","has coordinates,has disorder","296347","2024-12-06","16:15:01",""
"1573088","18.5772","0.0002","16.1173","0.0002","21.8954","0.0002","90","","99.61","0.001","90","","6463.8","0.12","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H99 N5 O2 P2 Si -","- C66 H99 N5 O2 P2 Si -","- C264 H396 N20 O8 P8 Si4 -","4","1","","Lin, Jieli; Liu, Shihua; Zheng, Shunlin; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Diphosphaenones: beyond the phosphorus analogue of enones.","Chemical science","2024","15","47","20030","20038","10.1039/d4sc06462c","","x-ray","1.54184","CuKα","","0.0346","0.0319","","","0.0794","0.0809","","","","","","1.038","","","","has coordinates","296347","2024-12-06","16:15:01",""
"1573089","12.0896","0.0006","16.0159","0.0008","21.5597","0.0011","98.712","0.002","103.862","0.002","98.212","0.002","3935.8","0.3","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C69 H100 F K N5 O P2 Si2 -","- C69 H100 F K N5 O P2 Si2 -","- C138 H200 F2 K2 N10 O2 P4 Si4 -","2","1","","Lin, Jieli; Liu, Shihua; Zheng, Shunlin; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Diphosphaenones: beyond the phosphorus analogue of enones.","Chemical science","2024","15","47","20030","20038","10.1039/d4sc06462c","","","1.34138","GaKα","","0.0636","0.0459","","","0.1243","0.136","","","","","","1.079","","","","has coordinates,has disorder","296347","2024-12-06","16:15:01",""
"1573090","27.6579","0.0004","15.0908","0.0002","57.5737","0.0009","90","","97.571","0.002","90","","23820.6","0.6","149.99","0.1","149.99","0.1","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C114 H156 N8 O2 P4 -","- C114 H156 N8 O2 P4 -","- C912 H1248 N64 O16 P32 -","8","1","","Lin, Jieli; Liu, Shihua; Zheng, Shunlin; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Diphosphaenones: beyond the phosphorus analogue of enones.","Chemical science","2024","15","47","20030","20038","10.1039/d4sc06462c","","x-ray","1.54184","CuKα","","0.0652","0.0529","","","0.1312","0.1423","","","","","","1.078","","","","has coordinates","296347","2024-12-06","16:15:01",""
"1573091","12.9593","0.0008","15.7707","0.0006","17.4731","0.001","90","","110.829","0.007","90","","3337.7","0.3","169.96","0.13","169.96","0.13","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 Br2 N2 Ni -","- C38 H36 Br2 N2 Ni -","- C152 H144 Br8 N8 Ni4 -","4","1","","Wang, Quanchao; Zhang, Qiuyue; Wang, Yizhou; Zou, Song; Ma, Yanping; Liang, Tongling; Sun, Wen Hua","Axial-phenyl Constrained Bis(imino)acenaphthene-Nickel Precatalysts Enhancing Ethylene Polymerization","Polymer Chemistry","2024","","","","","10.1039/D4PY01110D","","x-ray","1.54184","CuKα","","0.1371","0.1279","","","0.2355","0.2391","","","","","","1.089","","","","has coordinates,has disorder","295877","2024-11-12","02:08:53",""
"1573092","10.1206","0.0004","11.7415","0.0006","18.2647","0.0005","100.897","0.003","90.722","0.003","104.2","0.004","2062.19","0.15","169.98","0.11","169.98","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C84 H88 Br4 N4 Ni2 -","- C84 H88 Br4 N4 Ni2 -","- C84 H88 Br4 N4 Ni2 -","1","0.5","","Wang, Quanchao; Zhang, Qiuyue; Wang, Yizhou; Zou, Song; Ma, Yanping; Liang, Tongling; Sun, Wen Hua","Axial-phenyl Constrained Bis(imino)acenaphthene-Nickel Precatalysts Enhancing Ethylene Polymerization","Polymer Chemistry","2024","","","","","10.1039/D4PY01110D","","x-ray","1.54184","CuKα","","0.0866","0.0723","","","0.1871","0.1975","","","","","","1.033","","","","has coordinates,has disorder","295877","2024-11-12","02:08:59",""
"1573093","13.0868","0.0011","15.0378","0.0014","12.4442","0.0009","90","","91.317","0.007","90","","2448.3","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H24 Ag Cl N2 -","- C29 H24 Ag Cl N2 -","- C116 H96 Ag4 Cl4 N8 -","4","0.5","","Kardela, Marlena; Dziuk, Błażej; Szostak, Roman; Szostak, Michal; Bisz, Elwira","IBzH (IBenzhydryl): Sterically-Flexible N-Aliphatic N-Heterocyclic Carbenes (NHC) for Iron-Catalyzed C(sp3)–C(sp2) Cross-Coupling of Unactivated Haloalkanes","Catalysis Science & Technology","2024","","","","","10.1039/D4CY01315H","","","0.71073","MoKα","","0.0761","0.0462","","","0.0758","0.0829","","","","","","1.032","","","","has coordinates","295881","2024-11-12","22:36:32",""
"1573094","8.3091","0.0001","25.5056","0.0002","11.3577","0.0001","90","","107.935","0.001","90","","2290.06","0.04","100","2","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 N2 Se -","- C29 H24 N2 Se -","- C116 H96 N8 Se4 -","4","1","","Kardela, Marlena; Dziuk, Błażej; Szostak, Roman; Szostak, Michal; Bisz, Elwira","IBzH (IBenzhydryl): Sterically-Flexible N-Aliphatic N-Heterocyclic Carbenes (NHC) for Iron-Catalyzed C(sp3)–C(sp2) Cross-Coupling of Unactivated Haloalkanes","Catalysis Science & Technology","2024","","","","","10.1039/D4CY01315H","","","1.54184","CuKα","","0.0252","0.0244","","","0.0623","0.0627","","","","","","1.055","","","","has coordinates","295881","2024-11-12","22:36:36",""
"1573095","13.6267","0.001","20.1993","0.0015","26.817","0.002","90","","91.11","0.001","90","","7380","0.9","300","","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H52 Lu N5 O -","- C39 H52 Lu N5 O -","- C312 H416 Lu8 N40 O8 -","8","1","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","","0.71073","MoKα","","0.0702","0.0415","","","0.0824","0.0916","","","","","","1.032","","","","has coordinates,has disorder","295890","2024-11-12","23:18:12",""
"1573096","13.6472","0.0007","20.2383","0.001","26.8628","0.0014","90","","91.34","0.001","90","","7417.4","0.7","300","","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H52 Er N5 O -","- C39 H52 Er N5 O -","- C312 H416 Er8 N40 O8 -","8","1","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","","0.71073","MoKα","","0.0878","0.0485","","","0.0888","0.1015","","","","","","1.053","","","","has coordinates,has disorder","295890","2024-11-12","23:18:13",""
"1573097","13.6694","0.0007","20.249","0.0011","26.9122","0.0014","90","","91.415","0.001","90","","7446.8","0.7","300","","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H52 N5 O Y -","- C39 H52 N5 O Y -","- C312 H416 N40 O8 Y8 -","8","1","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","","0.71073","MoKα","","0.103","0.0568","","","0.1281","0.1497","","","","","","1.026","","","","has coordinates,has disorder","295890","2024-11-12","23:18:14",""
"1573098","13.6308","0.0008","20.2415","0.0011","26.8881","0.0015","90","","91.364","0.001","90","","7416.5","0.7","300","","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H52 N5 O Yb -","- C39 H52 N5 O Yb -","- C312 H416 N40 O8 Yb8 -","8","1","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","","0.71073","MoKα","","0.0468","0.0385","","","0.0935","0.0978","","","","","","1.113","","","","has coordinates,has disorder","295890","2024-11-12","23:18:14",""
"1573099","13.584","0.005","18.222","0.007","25.76","0.01","70.931","0.005","81.514","0.005","89.8","0.005","5954","4","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- C128 H166 Lu2 N16 -","- C128 H166 Lu2 N16 -","- C256 H332 Lu4 N32 -","2","1","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","","0.71073","MoKα","","0.2217","0.0995","","","0.272","0.3381","","","","","","1.034","","","","has coordinates,has disorder","295890","2024-11-12","23:18:14",""
"1573100","13.2252","0.0008","13.3516","0.0009","18.7595","0.0011","83.489","0.002","71.436","0.002","69.008","0.002","2931.7","0.3","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- C62 H79 N8 Yb -","- C62 H79 N8 Yb -","- C124 H158 N16 Yb2 -","2","1","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","","0.71073","MoKα","","0.0546","0.0383","","","0.0914","0.0994","","","","","","1.039","","","","has coordinates,has disorder","295890","2024-11-12","23:18:14",""
"1573101","13.665","0.006","18.226","0.008","25.786","0.012","71.04","0.006","81.488","0.006","89.511","0.007","6002","5","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- C128 H166 Er2 N16 -","- C128 H166 Er2 N16 -","- C256 H332 Er4 N32 -","2","1","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","","0.71073","MoKα","","0.1129","0.0567","","","0.1324","0.1585","","","","","","1.025","","","","has coordinates,has disorder","295890","2024-11-12","23:18:14",""
"1573102","24.14","0.004","13.516","0.002","18.231","0.003","90","","91.093","0.002","90","","5947.3","1.6","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H83 N8 Yb -","- C64 H83 N8 Yb -","- C256 H332 N32 Yb4 -","4","1","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","","0.71073","MoKα","","0.131","0.064","","","0.1489","0.1803","","","","","","1.023","","","","has coordinates,has disorder","295890","2024-11-12","23:18:14",""
"1573103","13.2585","0.0012","13.3239","0.0012","18.7854","0.0018","84.057","0.003","71.876","0.003","69.55","0.003","2955.1","0.5","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- C62 H79 Lu N8 -","- C62 H79 Lu N8 -","- C124 H158 Lu2 N16 -","2","1","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","","0.71073","MoKα","","0.0478","0.0352","","","0.08","0.0867","","","","","","1.084","","","","has coordinates,has disorder","295890","2024-11-12","23:18:14",""
"1573104","13.255","0.01","13.375","0.01","18.831","0.014","83.839","0.01","71.754","0.01","69.498","0.01","2970","4","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- C62 H79 Er N8 -","- C62 H79 Er N8 -","- C124 H158 Er2 N16 -","2","1","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","","0.71073","MoKα","","0.0711","0.0506","","","0.1334","0.1455","","","","","","1.002","","","","has coordinates,has disorder","295890","2024-11-12","23:18:14",""
"1573105","11.152","0.003","14.224","0.004","19.011","0.005","74.607","0.003","86.798","0.003","80.22","0.003","2865","1.3","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C63 H85 Er N8 O -","- C63 H85 Er N8 O -","- C126 H170 Er2 N16 O2 -","2","1","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","","0.71073","MoKα","","0.1556","0.0735","","","0.1307","0.1569","","","","","","0.982","","","","has coordinates,has disorder","295890","2024-11-12","23:18:14",""
"1573106","13.21","0.002","13.311","0.002","18.771","0.003","83.749","0.002","71.645","0.002","69.345","0.002","2931.4","0.8","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- C62 H79 N8 Y -","- C62 H79 N8 Y -","- C124 H158 N16 Y2 -","2","1","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","","0.71073","MoKα","","0.0848","0.0489","","","0.1159","0.1281","","","","","","1.034","","","","has coordinates,has disorder","295890","2024-11-12","23:18:15",""
"1573107","13.616","0.0016","18.253","0.002","25.838","0.003","71.129","0.002","81.63","0.002","89.722","0.002","6005.6","1.2","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- C128 H166 N16 Y2 -","- C128 H166 N16 Y2 -","- C256 H332 N32 Y4 -","2","1","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","","0.71073","MoKα","","0.1901","0.0811","","","0.2042","0.2621","","","","","","1.018","","","","has coordinates,has disorder","295890","2024-11-12","23:18:15",""
"1573108","11.1074","0.0003","14.154","0.0003","18.9061","0.0005","74.549","0.001","86.7","0.002","80.292","0.001","2823.61","0.12","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C63 H85 N8 O Y -","- C63 H85 N8 O Y -","- C126 H170 N16 O2 Y2 -","2","1","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","","1.54178","CuKα","","0.082","0.0535","","","0.1322","0.152","","","","","","1.079","","","","has coordinates,has disorder","295890","2024-11-12","23:18:15",""
"1573109","30.88","0.002","22.9324","0.0015","21.5684","0.0014","90","","95.594","0.001","90","","15201","1.7","300","","300","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C75 H98.5 N10 Y -","- C75 H98.5 N10 Y -","- C600 H788 N80 Y8 -","8","1","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","","0.71073","MoKα","","0.1791","0.0848","","","0.2184","0.2827","","","","","","1.027","","","","has coordinates,has disorder","295890","2024-11-12","23:18:15",""
"1573110","30.753","0.003","22.844","0.002","21.5677","0.0019","90","","95.6","0.001","90","","15079","2","300","","300","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C75 H98.5 Dy N10 -","- C75 H98.5 Dy N10 -","- C600 H788 Dy8 N80 -","8","1","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","","0.71073","MoKα","","0.1186","0.0556","","","0.1348","0.1651","","","","","","1.02","","","","has coordinates,has disorder","295890","2024-11-12","23:18:15",""
"1573111","12.8231","0.0006","23.604","0.0011","23.0899","0.001","90","","93.653","0.001","90","","6974.6","0.6","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H103 Dy N10 O2 -","- C74 H103 Dy N10 O2 -","- C296 H412 Dy4 N40 O8 -","4","1","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","","0.71073","MoKα","","0.0795","0.0422","","","0.0762","0.089","","","","","","1.018","","","","has coordinates,has disorder","295890","2024-11-12","23:18:15",""
"1573112","13.3096","0.0011","13.3936","0.0011","19.2327","0.0016","82.266","0.001","72.456","0.001","68.29","0.001","3036.1","0.4","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- C67 H80 Er N7 -","- C67 H80 Er N7 -","- C134 H160 Er2 N14 -","2","1","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","","0.71073","MoKα","","0.04","0.0324","","","0.0777","0.0808","","","","","","1.027","","","","has coordinates,has disorder","295890","2024-11-12","23:18:15",""
"1573113","13.2678","0.0007","13.3947","0.0007","19.2204","0.001","82.493","0.001","72.318","0.001","67.954","0.001","3016","0.3","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- C66 H80 N8 Yb -","- C66 H80 N8 Yb -","- C132 H160 N16 Yb2 -","2","1","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","","0.71073","MoKα","","0.0527","0.037","","","0.073","0.0776","","","","","","1.007","","","","has coordinates,has disorder","295890","2024-11-12","23:18:15",""
"1573114","22.4825","0.0013","20.7751","0.0012","21.474","0.0012","90","","115.007","0.001","90","","9089.7","0.9","300","","300","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C101 H116 N11 Y -","- C101 H116 N11 Y -","- C404 H464 N44 Y4 -","4","0.5","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","","0.71073","MoKα","","0.096","0.0598","","","0.1405","0.1576","","","","","","1.059","","","","has coordinates,has disorder","295890","2024-11-12","23:18:15",""
"1573115","21.64","0.003","23.137","0.003","29.409","0.004","90","","98.576","0.002","90","","14560","3","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C73.5 H95 Er N10 -","- C73.5 H95 Er N10 -","- C588 H760 Er8 N80 -","8","2","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","","0.71073","MoKα","","0.1611","0.0703","","","0.1315","0.1653","","","","","","1.04","","","","has coordinates,has disorder","295890","2024-11-12","23:18:15",""
"1573116","13.338","0.004","13.409","0.004","19.202","0.006","82.575","0.004","72.696","0.004","68.602","0.004","3052","1.6","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- C67 H80 N7 Y -","- C67 H80 N7 Y -","- C134 H160 N14 Y2 -","2","1","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","","0.71073","MoKα","","0.1878","0.0837","","","0.1565","0.1952","","","","","","1.018","","","","has coordinates,has disorder","295890","2024-11-12","23:18:15",""
"1573117","22.408","0.0019","20.7325","0.0018","21.4331","0.0018","90","","114.672","0.001","90","","9048.3","1.3","300","","300","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C101 H116 Er N11 -","- C101 H116 Er N11 -","- C404 H464 Er4 N44 -","4","0.5","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","","0.71073","MoKα","","0.0979","0.0607","","","0.1277","0.1448","","","","","","1.059","","","","has coordinates,has disorder","295890","2024-11-12","23:18:15",""
"1573118","14.584","0.009","14.899","0.009","15.053","0.009","75.276","0.006","84.282","0.006","74.311","0.006","3044","3","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- C69 H84 Er N8 -","- C62 H76 Er N8 -","- C124 H152 Er2 N16 -","2","1","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","","0.71073","MoKα","","0.228","0.1202","","","0.2386","0.2746","","","","","","0.957","","","","has coordinates","295890","2024-11-12","23:18:15",""
"1573119","13.5582","0.001","20.4707","0.0015","23.6618","0.0017","100.406","0.001","90.275","0.001","99.791","0.001","6360.9","0.8","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C71 H88 Dy N7 O -","- C71 H88 Dy N7 O -","- C284 H352 Dy4 N28 O4 -","4","2","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","","0.71073","MoKα","","0.1124","0.0586","","","0.1163","0.1356","","","","","","1.005","","","","has coordinates,has disorder","295890","2024-11-12","23:18:15",""
"1573120","22.488","0.009","20.758","0.008","21.613","0.008","90","","114.787","0.005","90","","9160","6","300","","300","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C101 H116 N11 Yb -","- C101 H116 N11 Yb -","- C404 H464 N44 Yb4 -","4","0.5","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","","0.71073","MoKα","","0.0492","0.037","","","0.0916","0.0992","","","","","","1.022","","","","has coordinates,has disorder","295890","2024-11-12","23:18:16",""
"1573121","13.275","0.004","13.391","0.004","19.241","0.006","82.481","0.004","72.614","0.004","68.205","0.004","3030","1.6","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- C66 H80 N8 Y -","- C66 H80 N8 Y -","- C132 H160 N16 Y2 -","2","1","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","","0.71073","MoKα","","0.1186","0.0682","","","0.1601","0.1871","","","","","","0.986","","","","has coordinates,has disorder","295890","2024-11-12","23:18:16",""
"1573122","13.2828","0.001","13.3925","0.001","19.2277","0.0014","82.472","0.001","72.475","0.001","68.097","0.001","3025.5","0.4","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- C66 H80 Er N8 -","- C66 H80 Er N8 -","- C132 H160 Er2 N16 -","2","1","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","","0.71073","MoKα","","0.0642","0.0414","","","0.0776","0.0843","","","","","","0.997","","","","has coordinates,has disorder","295890","2024-11-12","23:18:16",""
"1573123","13.2834","0.0008","13.4042","0.0008","19.2405","0.0011","82.43","0.001","72.629","0.001","68.145","0.001","3033.8","0.3","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- C66 H80 Dy N8 -","- C66 H80 Dy N8 -","- C132 H160 Dy2 N16 -","2","1","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","","0.71073","MoKα","","0.0452","0.0348","","","0.0808","0.0845","","","","","","1.036","","","","has coordinates,has disorder","295890","2024-11-12","23:18:16",""
"1573124","12.8893","0.0007","39.791","0.002","10.5197","0.0006","90","","113.687","0.001","90","","4940.8","0.5","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H74 Lu N3 O2 Si2 -","- C44 H74 Lu N3 O2 Si2 -","- C176 H296 Lu4 N12 O8 Si8 -","4","1","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","x-ray","0.71073","MoKα","","0.0743","0.0563","","","0.106","0.1113","","","","","","1.179","","","","has coordinates,has disorder","295891","2024-11-12","23:21:17",""
"1573125","12.905","0.004","39.957","0.011","10.506","0.003","90","","113.507","0.004","90","","4968","3","300","","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H74 Er N3 O2 Si2 -","- C44 H74 Er N3 O2 Si2 -","- C176 H296 Er4 N12 O8 Si8 -","4","1","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","x-ray","0.71073","MoKα","","0.1819","0.0829","","","0.1247","0.1528","","","","","","1.092","","","","has coordinates,has disorder","295891","2024-11-12","23:21:17",""
"1573126","12.887","0.003","39.892","0.009","10.5","0.002","90","","113.607","0.006","90","","4946.2","1.9","300","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H74 N3 O2 Si2 Yb -","- C44 H74 N3 O2 Si2 Yb -","- C176 H296 N12 O8 Si8 Yb4 -","4","1","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","x-ray","0.71073","MoKα","","0.0959","0.0875","","","0.1768","0.1804","","","","","","1.334","","","","has coordinates,has disorder","295891","2024-11-12","23:21:17",""
"1573127","12.958","0.003","40.101","0.008","10.503","0.002","90","","113.45","0.03","90","","5007","2","300","","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H74 Dy N3 O2 Si2 -","- C44 H74 Dy N3 O2 Si2 -","- C176 H296 Dy4 N12 O8 Si8 -","4","1","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","x-ray","0.71076","MoKα","","0.1139","0.1031","","","0.2108","0.2149","","","","","","1.294","","","","has coordinates,has disorder","295891","2024-11-12","23:21:17",""
"1573128","12.86","0.003","39.772","0.008","10.405","0.002","90","","113.53","0.03","90","","4879","2","300","","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H74 N3 O2 Si2 Y -","- C44 H74 N3 O2 Si2 Y -","- C176 H296 N12 O8 Si8 Y4 -","4","1","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","x-ray","0.71076","MoKα","","0.1429","0.1053","","","0.1986","0.2116","","","","","","1.21","","","","has coordinates,has disorder","295891","2024-11-12","23:21:17",""
"1573129","13.4249","0.0007","13.4551","0.0007","18.955","0.001","73.095","0.001","84.897","0.001","70.203","0.001","3082.2","0.3","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C63.5 H87 Lu N6 Si -","- C63.5 H87 Lu N6 Si -","- C127 H174 Lu2 N12 Si2 -","2","1","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","","0.71073","MoKα","","0.0775","0.049","","","0.1023","0.112","","","","","","0.992","","","","has coordinates,has disorder","295892","2024-11-12","23:23:40",""
"1573130","13.372","0.005","13.624","0.006","18.823","0.008","72.565","0.005","84.873","0.005","70.974","0.005","3093","2","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H83 N6 Si Yb -","- C60 H83 N6 Si Yb -","- C120 H166 N12 Si2 Yb2 -","2","1","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","","0.71073","MoKα","","0.1066","0.0674","","","0.1522","0.1698","","","","","","1.073","","","","has coordinates,has disorder","295892","2024-11-12","23:23:40",""
"1573131","13.1343","0.0018","13.9845","0.0019","18.709","0.003","73.486","0.002","84.862","0.002","71.051","0.002","3116.1","0.8","300","","300","","","","","","","","","6","P -1","-P 1","2","","","","- C64 H91 Er N6 O Si -","- C64 H91 Er N6 O Si -","- C128 H182 Er2 N12 O2 Si2 -","2","1","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","","0.71073","MoKα","","0.0472","0.0373","","","0.0924","0.0972","","","","","","1.026","","","","has coordinates,has disorder","295892","2024-11-12","23:23:41",""
"1573132","16.598","0.003","19.476","0.003","19.325","0.003","90","","94.72","0.002","90","","6225.9","1.8","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H91 Dy N6 O Si -","- C64 H91 Dy N6 O Si -","- C256 H364 Dy4 N24 O4 Si4 -","4","1","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","","0.71073","MoKα","","0.0879","0.0455","","","0.0894","0.1035","","","","","","1.002","","","","has coordinates,has disorder","295892","2024-11-12","23:23:41",""
"1573133","16.63","0.03","19.68","0.04","19.37","0.04","90","","94.6","0.03","90","","6319","2","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H91 N6 O Si Y -","- C64 H91 N6 O Si Y -","- C256 H364 N24 O4 Si4 Y4 -","4","1","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","","0.71073","MoKα","","0.1252","0.0562","","","0.1272","0.1583","","","","","","1.016","","","","has coordinates,has disorder","295892","2024-11-12","23:23:41",""
"1573134","10.6574","0.0012","12.773","0.0014","23.381","0.003","102.815","0.002","94.392","0.002","94.981","0.002","3076.7","0.6","300","","300","","","","","","","","","6","P -1","-P 1","2","","","","- C63 H94 Gd N6 O Si -","- C63 H94 Gd N6 O Si -","- C126 H188 Gd2 N12 O2 Si2 -","2","1","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","","0.71073","MoKα","","0.1202","0.0691","","","0.1495","0.1752","","","","","","1.044","","","","has coordinates,has disorder","295892","2024-11-12","23:23:42",""
"1573135","10.5491","0.0009","12.7578","0.0012","23.367","0.002","103.217","0.004","95.149","0.004","94.504","0.004","3033.2","0.5","300","","300","","","","","","","","","6","P -1","-P 1","2","","","","- C63 H94 N6 O Si Yb -","- C63 H94 N6 O Si Yb -","- C126 H188 N12 O2 Si2 Yb2 -","2","1","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","","0.71073","MoKα","","0.109","0.0744","","","0.1337","0.1468","","","","","","1.121","","","","has coordinates,has disorder","295892","2024-11-12","23:23:42",""
"1573136","10.554","0.009","12.716","0.012","23.25","0.02","103.08","0.04","94.75","0.04","94.7","0.03","3013","5","300","","300","","","","","","","","","6","P -1","-P 1","2","","","","- C63 H94 Er N6 O Si -","- C63 H94 Er N6 O Si -","- C126 H188 Er2 N12 O2 Si2 -","2","1","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","","0.71076","MoKα","","0.1006","0.0774","","","0.1476","0.1589","","","","","","1.184","","","","has coordinates,has disorder","295892","2024-11-12","23:23:42",""
"1573137","10.5911","0.0005","12.7677","0.0007","23.3687","0.0013","102.763","0.002","94.67","0.002","94.644","0.002","3055.7","0.3","300","","300","","","","","","","","","6","P -1","-P 1","2","","","","- C63 H94 N6 O Si Y -","- C63 H94 N6 O Si Y -","- C126 H188 N12 O2 Si2 Y2 -","2","1","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","","0.71073","MoKα","","0.083","0.0559","","","0.127","0.141","","","","","","1.059","","","","has coordinates,has disorder","295892","2024-11-12","23:23:42",""
"1573138","10.6118","0.0004","12.7636","0.0005","23.3508","0.001","102.801","0.002","94.606","0.002","94.785","0.002","3057.5","0.2","300","","300","","","","","","","","","6","P -1","-P 1","2","","","","- C63 H94 Dy N6 O Si -","- C63 H94 Dy N6 O Si -","- C126 H188 Dy2 N12 O2 Si2 -","2","1","","Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu","Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives","Chemical Science","2024","","","","","10.1039/D4SC04197F","","","0.71073","MoKα","","0.0729","0.054","","","0.1028","0.1102","","","","","","1.097","","","","has coordinates,has disorder","295892","2024-11-12","23:23:42",""
"1573139","12.4935","0.0001","17.7126","0.0001","22.0093","0.0002","100.554","0.001","103.952","0.001","96.61","0.001","4581.63","0.07","292.98","0.1","292.98","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C48 H53 Cl2 N3 Pd -","- C48 H53 Cl2 N3 Pd -","- C192 H212 Cl8 N12 Pd4 -","4","2","","Guo, Yuman; Wu, Hao; Zhang, Meng-Jiao; Liu, Feng-Shou","Dibenzobarrelene-Derived Pd-NHCs: Efficient Precatalysts for the Suzuki-Miyaura Polycondensations of Dichloroarenes Monomers","Polymer Chemistry","2024","","","","","10.1039/D4PY01026D","","x-ray","1.54184","CuKα","","0.054","0.0444","","","0.1191","0.125","","","","","","1.046","","","","has coordinates","295899","2024-11-13","02:19:14",""
"1573140","13.0079","0.0002","24.0698","0.0003","13.9399","0.0002","90","","101.178","0.001","90","","4281.75","0.11","169.99","0.1","169.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H50 Cl4 N4 Pd S -","- C45 H50 Cl4 N4 Pd S -","- C180 H200 Cl16 N16 Pd4 S4 -","4","1","","Guo, Yuman; Wu, Hao; Zhang, Meng-Jiao; Liu, Feng-Shou","Dibenzobarrelene-Derived Pd-NHCs: Efficient Precatalysts for the Suzuki-Miyaura Polycondensations of Dichloroarenes Monomers","Polymer Chemistry","2024","","","","","10.1039/D4PY01026D","","x-ray","1.54184","CuKα","","0.0502","0.0469","","","0.1193","0.1227","","","","","","1.029","","","","has coordinates","295899","2024-11-13","02:19:15",""
"1573141","12.9002","0.0004","27.2207","0.001","20.8068","0.0007","90","","90.068","0.003","90","","7306.4","0.4","169.99","0.1","169.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C82 H88 Cl4 N4 Pd2 -","- C82 H88 Cl4 N4 Pd2 -","- C328 H352 Cl16 N16 Pd8 -","4","1","","Guo, Yuman; Wu, Hao; Zhang, Meng-Jiao; Liu, Feng-Shou","Dibenzobarrelene-Derived Pd-NHCs: Efficient Precatalysts for the Suzuki-Miyaura Polycondensations of Dichloroarenes Monomers","Polymer Chemistry","2024","","","","","10.1039/D4PY01026D","","x-ray","1.54184","CuKα","","0.1117","0.0699","","","0.1575","0.1778","","","","","","1.028","","","","has coordinates","295899","2024-11-13","02:19:15",""
"1573142","14.768","0.003","22.615","0.006","14.318","0.004","90","","109.286","0.005","90","","4514","2","117","","117","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H22 B Cl Co F10 Fe N15 O4 -","- C36 H22 B Cl Co F10 Fe N15 O4 -","- C144 H88 B4 Cl4 Co4 F40 Fe4 N60 O16 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin State Modulation and Kinetic Control of Thermal Contraction in a [Fe2Co2] Discrete Prussian Blue Analogue","Chemical Science","2024","","","","","10.1039/D4SC05792A","","","0.71073","MoKα","","0.1714","0.0707","","","0.1326","0.1738","","","","","","1.015","","","","has coordinates","295904","2024-11-13","23:07:17",""
"1573143","14.938","0.011","20.83","0.016","15.45","0.012","90","","103.72","0.02","90","","4670","6","250","","250","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 B Cl Co F10 Fe N15 O7 -","- C38 H32 B Cl Co F10 Fe N15 O7 -","- C152 H128 B4 Cl4 Co4 F40 Fe4 N60 O28 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin State Modulation and Kinetic Control of Thermal Contraction in a [Fe2Co2] Discrete Prussian Blue Analogue","Chemical Science","2024","","","","","10.1039/D4SC05792A","","","0.71073","MoKα","","0.2343","0.0722","","","0.1472","0.2135","","","","","","0.936","","","","has coordinates","295904","2024-11-13","23:07:18",""
"1573144","14.555","0.003","22.133","0.004","14.59","0.003","90","","107.506","0.006","90","","4482.4","1.5","168","2","168","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C144 H96 B4 Cl4 Co4 F40 Fe4 N60 O20 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin State Modulation and Kinetic Control of Thermal Contraction in a [Fe2Co2] Discrete Prussian Blue Analogue","Chemical Science","2024","","","","","10.1039/D4SC05792A","","","0.71073","MoKα","","0.0894","0.0583","","","0.1397","0.1594","","","","","","1.069","","","","has coordinates,has disorder","295904","2024-11-13","23:07:18",""
"1573145","14.867","0.004","20.702","0.006","15.437","0.004","90","","103.782","0.007","90","","4614","2","200","2","200","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C38 H29 B Cl Co F10 Fe N15 O7 -","- C38 H29 B Cl Co F10 Fe N15 O7 -","- C152 H116 B4 Cl4 Co4 F40 Fe4 N60 O28 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin State Modulation and Kinetic Control of Thermal Contraction in a [Fe2Co2] Discrete Prussian Blue Analogue","Chemical Science","2024","","","","","10.1039/D4SC05792A","","","0.71073","MoKα","","0.0789","0.0432","","","0.0929","0.1103","","","","","","1.005","","","","has coordinates","295904","2024-11-13","23:07:18",""
"1573146","14.5844","0.0015","21.947","0.002","14.54","0.0015","90","","107.574","0.003","90","","4436.8","0.8","140","","140","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C144 H96 B4 Cl4 Co4 F40 Fe4 N60 O20 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin State Modulation and Kinetic Control of Thermal Contraction in a [Fe2Co2] Discrete Prussian Blue Analogue","Chemical Science","2024","","","","","10.1039/D4SC05792A","","","0.71073","MoKα","","0.0922","0.0573","","","0.1351","0.1555","","","","","","1.043","","","","has coordinates,has disorder","295904","2024-11-13","23:07:19",""
"1573147","14.5597","0.0012","22.1504","0.0016","14.5863","0.0012","90","","107.475","0.003","90","","4487","0.6","168","2","168","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C144 H96 B4 Cl4 Co4 F40 Fe4 N60 O20 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin State Modulation and Kinetic Control of Thermal Contraction in a [Fe2Co2] Discrete Prussian Blue Analogue","Chemical Science","2024","","","","","10.1039/D4SC05792A","","","0.71073","MoKα","","0.0924","0.0592","","","0.1403","0.1609","","","","","","1.064","","","","has coordinates,has disorder","295904","2024-11-13","23:07:19",""
"1573148","14.586","0.003","21.94","0.004","14.537","0.003","90","","107.634","0.005","90","","4433.5","1.5","140","2","140","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C144 H96 B4 Cl4 Co4 F40 Fe4 N60 O20 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin State Modulation and Kinetic Control of Thermal Contraction in a [Fe2Co2] Discrete Prussian Blue Analogue","Chemical Science","2024","","","","","10.1039/D4SC05792A","","","0.71073","MoKα","","0.0851","0.059","","","0.1386","0.1547","","","","","","1.063","","","","has coordinates,has disorder","295904","2024-11-13","23:07:19",""
"1573149","14.608","0.003","21.69","0.004","14.447","0.003","90","","107.574","0.004","90","","4363.9","1.5","120","","120","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C144 H96 B4 Cl4 Co4 F40 Fe4 N60 O20 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin State Modulation and Kinetic Control of Thermal Contraction in a [Fe2Co2] Discrete Prussian Blue Analogue","Chemical Science","2024","","","","","10.1039/D4SC05792A","","","0.71073","MoKα","","0.1301","0.0706","","","0.1552","0.1859","","","","","","1.053","","","","has coordinates,has disorder","295904","2024-11-13","23:07:19",""
"1573150","14.5088","0.001","22.4672","0.0013","14.6367","0.001","90","","107.396","0.002","90","","4552.9","0.5","200","","200","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C144 H96 B4 Cl4 Co4 F40 Fe4 N60 O20 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin State Modulation and Kinetic Control of Thermal Contraction in a [Fe2Co2] Discrete Prussian Blue Analogue","Chemical Science","2024","","","","","10.1039/D4SC05792A","","","0.71073","MoKα","","0.1135","0.0816","","","0.1745","0.1888","","","","","","1.214","","","","has coordinates,has disorder","295904","2024-11-13","23:07:19",""
"1573151","14.5659","0.0013","21.8912","0.0018","14.5075","0.0014","90","","107.593","0.003","90","","4409.6","0.7","110","2","110","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C144 H96 B4 Cl4 Co4 F40 Fe4 N60 O20 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin State Modulation and Kinetic Control of Thermal Contraction in a [Fe2Co2] Discrete Prussian Blue Analogue","Chemical Science","2024","","","","","10.1039/D4SC05792A","","","0.71073","MoKα","","0.0832","0.058","","","0.1367","0.1527","","","","","","1.06","","","","has coordinates,has disorder","295904","2024-11-13","23:07:19",""
"1573152","14.6328","0.001","21.6526","0.0017","14.4816","0.0012","90","","107.596","0.004","90","","4373.6","0.6","140","2","140","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C144 H96 B4 Cl4 Co4 F40 Fe4 N60 O20 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin State Modulation and Kinetic Control of Thermal Contraction in a [Fe2Co2] Discrete Prussian Blue Analogue","Chemical Science","2024","","","","","10.1039/D4SC05792A","","","0.71073","MoKα","","0.1404","0.0918","","","0.186","0.2086","","","","","","1.127","","","","has coordinates,has disorder","295904","2024-11-13","23:07:19",""
"1573153","14.618","0.003","21.998","0.004","14.513","0.003","90","","107.492","0.004","90","","4451.1","1.5","168","","168","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C144 H96 B4 Cl4 Co4 F40 Fe4 N60 O20 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin State Modulation and Kinetic Control of Thermal Contraction in a [Fe2Co2] Discrete Prussian Blue Analogue","Chemical Science","2024","","","","","10.1039/D4SC05792A","","","0.71073","MoKα","","0.1333","0.0684","","","0.1493","0.1861","","","","","","1.014","","","","has coordinates,has disorder","295904","2024-11-13","23:07:19",""
"1573154","14.5189","0.0006","22.4945","0.0008","14.6481","0.0006","90","","107.387","0.001","90","","4565.4","0.3","200","2","200","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C144 H96 B4 Cl4 Co4 F40 Fe4 N60 O20 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin State Modulation and Kinetic Control of Thermal Contraction in a [Fe2Co2] Discrete Prussian Blue Analogue","Chemical Science","2024","","","","","10.1039/D4SC05792A","","","0.71073","MoKα","","0.1081","0.0841","","","0.1777","0.1887","","","","","","1.219","","","","has coordinates,has disorder","295904","2024-11-13","23:07:19",""
"1573155","14.5568","0.0005","22.4909","0.0008","14.6069","0.0005","90","","107.337","0.001","90","","4565","0.3","200","","200","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C144 H96 B4 Cl4 Co4 F40 Fe4 N60 O20 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin State Modulation and Kinetic Control of Thermal Contraction in a [Fe2Co2] Discrete Prussian Blue Analogue","Chemical Science","2024","","","","","10.1039/D4SC05792A","","","0.71073","MoKα","","0.1532","0.1264","","","0.2815","0.2943","","","","","","1.256","","","","has coordinates,has disorder","295904","2024-11-13","23:07:19",""
"1573156","14.852","0.005","20.7","0.008","15.425","0.006","90","","103.695","0.011","90","","4607","3","168","2","168","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C38 H29 B Cl Co F10 Fe N15 O7 -","- C38 H29 B Cl Co F10 Fe N15 O7 -","- C152 H116 B4 Cl4 Co4 F40 Fe4 N60 O28 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin State Modulation and Kinetic Control of Thermal Contraction in a [Fe2Co2] Discrete Prussian Blue Analogue","Chemical Science","2024","","","","","10.1039/D4SC05792A","","","0.71073","MoKα","","0.081","0.0439","","","0.0912","0.1078","","","","","","1.008","","","","has coordinates","295904","2024-11-13","23:07:19",""
"1573157","14.735","0.005","20.586","0.007","15.382","0.006","90","","103.396","0.01","90","","4539","3","100","2","100","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C38 H29 B Cl Co F10 Fe N15 O7 -","- C38 H29 B Cl Co F10 Fe N15 O7 -","- C152 H116 B4 Cl4 Co4 F40 Fe4 N60 O28 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin State Modulation and Kinetic Control of Thermal Contraction in a [Fe2Co2] Discrete Prussian Blue Analogue","Chemical Science","2024","","","","","10.1039/D4SC05792A","","","0.71073","MoKα","","0.0738","0.0426","","","0.09","0.1049","","","","","","1.027","","","","has coordinates","295904","2024-11-13","23:07:19",""
"1573158","16.918","0.0003","18.7743","0.0003","18.7972","0.0003","119.575","0.002","100.097","0.001","91.79","0.001","5063.55","0.18","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C196 H164 Cs2 N2 O92 Ti14 -","- C184 H140 Cs2 N2 O88 Ti14 -","- C184 H140 Cs2 N2 O88 Ti14 -","1","0.5","","Wang, Dexin; Liu, Yanshu; Zhang, Guanyun; Chu, Menghui; Gao, Fangfang; Chen, Guanjie; Wang, Guo; Tung, Chen-Ho; Wang, Yifeng","Guest modulating the photoactivity of a titanium-oxide cage.","Chemical science","2024","15","47","19952","19961","10.1039/d4sc04983g","","","1.54184","CuKα","","0.0583","0.0479","","","0.1242","0.1304","","","","","","1.041","","","","has coordinates","296345","2024-12-06","15:58:04",""
"1573159","16.8649","0.0004","18.7159","0.0004","18.7422","0.0005","119.555","0.002","100.296","0.002","91.512","0.002","5017.7","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C196 H172 N4 O92 Ti14 -","- C178 H136 N4 O86 Ti14 -","- C178 H136 N4 O86 Ti14 -","1","0.5","","Wang, Dexin; Liu, Yanshu; Zhang, Guanyun; Chu, Menghui; Gao, Fangfang; Chen, Guanjie; Wang, Guo; Tung, Chen-Ho; Wang, Yifeng","Guest modulating the photoactivity of a titanium-oxide cage.","Chemical science","2024","15","47","19952","19961","10.1039/d4sc04983g","","","1.54184","CuKα","","0.0762","0.0607","","","0.1611","0.1688","","","","","","1.088","","","","has coordinates","296345","2024-12-06","15:58:04",""
"1573160","17.2516","0.0002","17.2516","0.0002","47.4743","0.0008","90","","90","","90","","14129.2","0.3","100","0.1","100","0.1","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C84 H100 Ga2 N4 -","- C84 H100 Ga2 N4 -","- C672 H800 Ga16 N32 -","8","0.5","","Ghadwal, Rajendra S.; Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Georg","Annulated Carbocyclic Gallylene and Bis-Gallylene with Two-Coordinated Ga(I) Atoms","Chemical Science","2024","","","","","10.1039/D4SC06782G","","x-ray","0.71073","MoKα","","0.0442","0.0336","","","0.078","0.0826","","","","","","1.109","","","","has coordinates","295916","2024-11-14","23:08:08",""
"1573161","19.4377","0.0004","19.6182","0.0004","19.7964","0.0005","90","","100.679","0.002","90","","7418.3","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H78 F16 Ga2 N4 -","- C80 H78 F16 Ga2 N4 -","- C320 H312 F64 Ga8 N16 -","4","1","","Ghadwal, Rajendra S.; Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Georg","Annulated Carbocyclic Gallylene and Bis-Gallylene with Two-Coordinated Ga(I) Atoms","Chemical Science","2024","","","","","10.1039/D4SC06782G","","x-ray","1.54184","CuKα","","0.0728","0.0522","","","0.1232","0.135","","","","","","1.026","","","","has coordinates","295916","2024-11-14","23:08:14",""
"1573162","10.8571","0.0002","14.302","0.0003","25.6182","0.0005","98.115","0.002","96.616","0.002","102.807","0.002","3795.66","0.14","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C82.88 H87 Fe1.97 Ga2 I0.06 N4 O7.88 -","- C82.8744 H87 Fe1.9686 Ga2 I0.0628 N4 O7.8744 -","- C165.749 H174 Fe3.9372 Ga4 I0.1256 N8 O15.7488 -","2","1","","Ghadwal, Rajendra S.; Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Georg","Annulated Carbocyclic Gallylene and Bis-Gallylene with Two-Coordinated Ga(I) Atoms","Chemical Science","2024","","","","","10.1039/D4SC06782G","","x-ray","1.54184","CuKα","","0.0405","0.0373","","","0.0994","0.1027","","","","","","1.021","","","","has coordinates,has disorder","295916","2024-11-14","23:08:14",""
"1573163","10.3023","0.0008","18.4534","0.0013","20.0384","0.0016","90","","103.039","0.007","90","","3711.3","0.5","173","0.1","173","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H90 Cl4 Ga2 N4 -","- C66 H78 Cl4 Ga2 N4 -","- C132 H156 Cl8 Ga4 N8 -","2","0.5","","Ghadwal, Rajendra S.; Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Georg","Annulated Carbocyclic Gallylene and Bis-Gallylene with Two-Coordinated Ga(I) Atoms","Chemical Science","2024","","","","","10.1039/D4SC06782G","","x-ray","0.71073","MoKα","","0.0577","0.0447","","","0.1139","0.1219","","","","","","1.044","","","","has coordinates","295916","2024-11-14","23:08:15",""
"1573164","12.7988","0.0007","14.6243","0.0007","18.1282","0.0009","80.487","0.004","79.632","0.004","85.811","0.004","3288.5","0.3","220","0.1","220","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C73 H86 Ga2 N4 -","- C66 H78 Ga2 N4 -","- C132 H156 Ga4 N8 -","2","1","","Ghadwal, Rajendra S.; Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Georg","Annulated Carbocyclic Gallylene and Bis-Gallylene with Two-Coordinated Ga(I) Atoms","Chemical Science","2024","","","","","10.1039/D4SC06782G","","x-ray","0.71073","MoKα","","0.1001","0.0645","","","0.1573","0.1789","","","","","","1.031","","","","has coordinates,has disorder","295916","2024-11-14","23:08:15",""
"1573165","10.5694","0.0001","12.1801","0.0001","13.6704","0.0001","101.963","0.001","98.911","0.001","107.53","0.001","1596.52","0.03","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C66 H78 Ga2 I4 N4 -","- C66 H78 Ga2 I4 N4 -","- C66 H78 Ga2 I4 N4 -","1","0.5","","Ghadwal, Rajendra S.; Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Georg","Annulated Carbocyclic Gallylene and Bis-Gallylene with Two-Coordinated Ga(I) Atoms","Chemical Science","2024","","","","","10.1039/D4SC06782G","","x-ray","0.71073","MoKα","","0.0228","0.018","","","0.0365","0.0385","","","","","","1.0511","","","","has coordinates","295916","2024-11-14","23:08:16",""
"1573166","21.1589","0.0005","19.2641","0.0004","19.4975","0.0004","90","","91.377","0.002","90","","7945","0.3","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C88 H88 F12 Ga2 N6 -","- C76 H78 F10 Ga2 N6 -","- C304 H312 F40 Ga8 N24 -","4","0.5","","Ghadwal, Rajendra S.; Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Georg","Annulated Carbocyclic Gallylene and Bis-Gallylene with Two-Coordinated Ga(I) Atoms","Chemical Science","2024","","","","","10.1039/D4SC06782G","","x-ray","0.71073","MoKα","","0.0712","0.0675","","","0.1644","0.1664","","","","","","1.174","","","","has coordinates,has disorder","295916","2024-11-14","23:08:16",""
"1573167","10.2726","0.0011","23.866","0.002","10.272","0.0011","90","","118.405","0.006","90","","2215.2","0.4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 O2 -","- C32 H22 O2 -","- C128 H88 O8 -","4","1","","Cen, Mengjie; Ma, Xinyue; Yang, Xi; Zhang, Shanshan; Liu, Long; Szostak, Michal; Chen, Tieqiao","Site-Selective Decarbonylative [4+2] Annulation of Carboxylic Acids with Terminal Alkynes by C–C/C–H Activation Strategy and Cluster Catalysis","Chemical Science","2024","","","","","10.1039/D4SC05429F","","","0.71073","MoKα","","0.0977","0.0564","","","0.1349","0.1516","","","","","","1.035","","","","has coordinates","295917","2024-11-14","23:08:53",""
"1573168","8.3632","0.0003","11.818","0.0005","28.4133","0.0011","90","","97.436","0.003","90","","2784.65","0.19","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H27 O P -","- C40 H27 O P -","- C160 H108 O4 P4 -","4","1","","Kamiyoshi, Ikki; Kojima, Yuki; Xu, Shibo; Yasui, Kosuke; Nishii, Yuji; Hirano, Koji","Synthesis of highly condensed phospholes by Lewis acid-assisted dehydrogenative Mallory reaction under visible light irradiation","Chemical Science","2024","","","","","10.1039/D4SC05657D","","x-ray","1.54184","CuKα","","0.1394","0.0782","","","0.2035","0.2607","","","","","","1.168","","","","has coordinates","295918","2024-11-14","23:09:38",""
"1573169","14.499","0.0005","15.0425","0.0005","15.7255","0.0004","82.549","0.002","69.415","0.003","81.71","0.003","3165.65","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H42 Cl12 O2 P2 S2 -","- C68 H42 Cl12 O2 P2 S2 -","- C136 H84 Cl24 O4 P4 S4 -","2","1","","Kamiyoshi, Ikki; Kojima, Yuki; Xu, Shibo; Yasui, Kosuke; Nishii, Yuji; Hirano, Koji","Synthesis of highly condensed phospholes by Lewis acid-assisted dehydrogenative Mallory reaction under visible light irradiation","Chemical Science","2024","","","","","10.1039/D4SC05657D","","x-ray","1.54184","CuKα","","0.1068","0.0967","","","0.2769","0.2838","","","","","","1.11","","","","has coordinates","295918","2024-11-14","23:09:40",""
"1573170","16.3894","0.0003","17.8532","0.0004","20.0109","0.0005","65.46","0.002","79.648","0.002","73.025","0.002","5082.8","0.2","300","","300","","","","","","","","","6","P -1","-P 1","2","CityU-26","","","- C86 H56 B4 N4 O8 S4 -","- C86 H56 B4 N4 O8 S4 -","- C172 H112 B8 N8 O16 S8 -","2","1","","Wang, Xin; Zhang, Yuchan; Zhang, Lei; Gu, Qianfeng; Liu, Qi; Ren, Yang; Lee, Chun-Sing; Zhang, Qichun","A Tetrathiafulvalene-Containing Covalent Organic Nanobelt: Preparation, Crystal Structure and Application for Sodium-Ion Battery","Chemical Science","2024","","","","","10.1039/D4SC06300G","","x-ray","1.54184","CuKα","","0.1304","0.1041","","","0.3175","0.3509","","","","","","1.067","","","","has coordinates,has disorder","295919","2024-11-14","23:09:59",""
"1573171","24.815","0.0006","24.815","0.0006","66.157","0.003","90","","90","","120","","35281","2","140","","140","","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C144 H84 Cu16 F54 N12 P3 S25 -","- C144 H84 Cu16 F54 N12 P3 S25 -","- C864 H504 Cu96 F324 N72 P18 S150 -","6","0.333333","","Kumar, Shibaditya; Mishra, Saikat; Das, Aniruddha; Mahiya, Kuldeep; Laha, Sourav; Maji, Milan; Patra, Apurba Kumar","Analogues Copper Nanoclusters (Cu16/17) with Two Electron Superatomic and Mixed Valence Copper(II)/Copper(I) and Copper(I)/Copper(0) Characters†","Nanoscale","2024","","","","","10.1039/D4NR03578J","","","1.54178","CuKα","","0.1364","0.0687","","","0.1748","0.2248","","","","","","0.984","","","","has coordinates,has disorder","295924","2024-11-15","01:03:13",""
"1573172","39.487","0.009","20.216","0.003","31.428","0.005","90","","113.044","0.007","90","","23086","7","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C212 H172 Cl Cu16 F36 N12 O4 S25 -","- C184 H140 Cl Cu16 F36 N12 O4 S25 -","- C736 H560 Cl4 Cu64 F144 N48 O16 S100 -","4","0.5","","Kumar, Shibaditya; Mishra, Saikat; Das, Aniruddha; Mahiya, Kuldeep; Laha, Sourav; Maji, Milan; Patra, Apurba Kumar","Analogues Copper Nanoclusters (Cu16/17) with Two Electron Superatomic and Mixed Valence Copper(II)/Copper(I) and Copper(I)/Copper(0) Characters†","Nanoscale","2024","","","","","10.1039/D4NR03578J","","","0.71073","MoKα","","0.2096","0.1103","","","0.2912","0.3271","","","","","","1.028","","","","has coordinates,has disorder","295924","2024-11-15","01:03:16",""
"1573173","24.8645","0.0011","24.8645","0.0011","66.598","0.006","90","","90","","120","","35658","4","150","2","150","2","","","","","","","","8","R 3 c :H","R 3 -2""c","161","","","","- C163 H113 Cu17 F54 N13 O2 P3 S24 -","- C162.998 H112.997 Cu17 F54 N12.9999 O1.9998 P3 S24 -","- C977.989 H677.983 Cu102 F324 N77.9994 O11.9988 P18 S144 -","6","0.333333","","Kumar, Shibaditya; Mishra, Saikat; Das, Aniruddha; Mahiya, Kuldeep; Laha, Sourav; Maji, Milan; Patra, Apurba Kumar","Analogues Copper Nanoclusters (Cu16/17) with Two Electron Superatomic and Mixed Valence Copper(II)/Copper(I) and Copper(I)/Copper(0) Characters†","Nanoscale","2024","","","","","10.1039/D4NR03578J","","","0.71073","MoKα","","0.0767","0.0554","","","0.1437","0.1587","","","","","","1.103","","","","has coordinates,has disorder","295924","2024-11-15","01:03:26",""
"1573174","6.7864","0.0003","8.3598","0.0005","15.6513","0.0006","92.948","0.004","93.007","0.004","92.615","0.004","884.51","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H15 N O3 S2 -","- C20 H15 N O3 S2 -","- C40 H30 N2 O6 S4 -","2","1","","Owyong, Tze Cin; Shippey, Laura E.; Ding, Siyang; Owen, David S.; Zhang, Shouxiang; White, Jonathan; Wong, Wallace Wing Ho; Smith, David P.; Hong, Yuning","Development of NIAD-4 Derivatives for Fluorescence-based Detection of Protein Aggregates","Sensors & Diagnostics","2024","","","","","10.1039/D4SD00182F","","x-ray","1.54184","CuKα","","0.0607","0.0492","","","0.1354","0.1428","","","","","","1.065","","","","has coordinates","295928","2024-11-15","02:21:39",""
"1573175","7.8436","0.0003","13.8612","0.0004","25.8433","0.0007","90","","90","","90","","2809.73","0.15","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2,4-Dichloro-6-{<i>N</i>-[2-(trifluoromethyl)phenyl]carboximidoyl}phenol","","- C14 H8 Cl2 F3 N O -","- C14 H8 Cl2 F3 N O -","- C112 H64 Cl16 F24 N8 O8 -","8","1","PK4045","Xantini, Zizipho; Muller, Alfred; Lammertsma, Koop","2,4-Dichloro-6-{N-[2-(trifluoromethyl)phenyl]carboximidoyl}phenol","IUCrData","2024","9","11","","","10.1107/S2414314624010745","","","0.71073","MoKα","","0.0467","0.0362","","","0.1024","0.1112","","","","","","1.06","","","","has coordinates","295932","2024-11-15","02:57:30",""
"1573176","13.5566","0.0003","6.1185","0.0002","34.8632","0.0008","90","","91.681","0.001","90","","2890.52","0.13","193","","193","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C31 H51 N O5 -","- C31 H51 N O5 -","- C124 H204 N4 O20 -","4","1","","Wang, Zengyuan; Alsup, Tyler; Pan, Xingming; Li, Lu-Lu; Tian, Jupeng; Yang, Ziyi; Lin, Xiaoxu; Xu, Hui-Min; Rudolf, Jeffrey D.; Dong, Liao-Bin","Biosynthesis of a bacterial meroterpenoid reveals a non-canonical class II terpene synthase","Chemical Science","2024","","","","","10.1039/D4SC06010E","","","1.54178","CuKα","","0.0347","0.0335","","","0.088","0.0892","","","","","","1.068","","","","has coordinates","295981","2024-11-17","23:06:23",""
"1573177","7.2412","0.0002","12.2368","0.0004","34.0916","0.001","90","","90","","90","","3020.83","0.16","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H51 N O5 -","- C30 H51 N O5 -","- C120 H204 N4 O20 -","4","1","","Wang, Zengyuan; Alsup, Tyler; Pan, Xingming; Li, Lu-Lu; Tian, Jupeng; Yang, Ziyi; Lin, Xiaoxu; Xu, Hui-Min; Rudolf, Jeffrey D.; Dong, Liao-Bin","Biosynthesis of a bacterial meroterpenoid reveals a non-canonical class II terpene synthase","Chemical Science","2024","","","","","10.1039/D4SC06010E","","","1.54184","CuKα","","0.0773","0.0701","","","0.1741","0.1775","","","","","","1.198","","","","has coordinates","295981","2024-11-17","23:06:24",""
"1573178","9.775","0.0003","16.6702","0.0006","25.7105","0.0008","107.247","0.003","93.692","0.003","98.988","0.003","3924.7","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H28 Al4 -","- C28 H28 Al4 -","- C168 H168 Al24 -","6","3","","Lückert, Paula L.; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9,10-dihydro-9,10-dialuminaanthracenes","Chemical Science","2024","","","","","10.1039/D4SC06940D","","","0.71073","MoKα","","0.0549","0.0417","","","0.1052","0.1139","","","","","","1.033","","","","has coordinates","295984","2024-11-18","23:09:31",""
"1573179","8.5249","0.0004","10.084","0.0006","15.022","0.0007","80.5","0.004","80.878","0.004","65.121","0.005","1149.72","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H8 Al4 Br8 -","- C12 H8 Al4 Br8 -","- C24 H16 Al8 Br16 -","2","1","","Lückert, Paula L.; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9,10-dihydro-9,10-dialuminaanthracenes","Chemical Science","2024","","","","","10.1039/D4SC06940D","","","0.71073","MoKα","","0.0644","0.059","","","0.1503","0.1552","","","","","","1.092","","","","has coordinates","295984","2024-11-18","23:09:33",""
"1573180","10.9074","0.0012","12.1287","0.0012","20.097","0.002","90.03","0.009","91.767","0.009","109.036","0.009","2511.9","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H29 Al2 K N2 O1.5 -","- C23 H29 Al2 K N2 O1.5 -","- C92 H116 Al8 K4 N8 O6 -","4","2","","Lückert, Paula L.; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9,10-dihydro-9,10-dialuminaanthracenes","Chemical Science","2024","","","","","10.1039/D4SC06940D","","","0.71073","MoKα","","0.1567","0.1057","","","0.3841","0.3937","","","","","","1.109","","","","has coordinates","295984","2024-11-18","23:09:35",""
"1573181","9.0697","0.0003","9.2595","0.0004","9.8024","0.0004","112.117","0.004","105.052","0.003","102.588","0.003","689.09","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 Al2 N2 -","- C30 H30 Al2 N2 -","- C30 H30 Al2 N2 -","1","0.5","","Lückert, Paula L.; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9,10-dihydro-9,10-dialuminaanthracenes","Chemical Science","2024","","","","","10.1039/D4SC06940D","","","0.71073","MoKα","","0.0404","0.0394","","","0.1051","0.1059","","","","","","1.067","","","","has coordinates","295984","2024-11-18","23:09:37",""
"1573182","10.1518","0.0008","9.9203","0.0006","12.7992","0.001","90","","100.072","0.007","90","","1269.13","0.16","173","2","173","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C24 H16 Al4 Br4 -","- C24 H16 Al4 Br4 -","- C48 H32 Al8 Br8 -","2","0.5","","Lückert, Paula L.; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9,10-dihydro-9,10-dialuminaanthracenes","Chemical Science","2024","","","","","10.1039/D4SC06940D","","","0.71073","MoKα","","0.0427","0.0363","","","0.085","0.0901","","","","","","1.106","","","","has coordinates","295984","2024-11-18","23:09:38",""
"1573183","8.1909","0.0009","8.1869","0.0009","9.8777","0.001","109.179","0.01","102.057","0.009","104.104","0.01","575.78","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C13.9 H13.69 Al4 Br6.1 -","- C13.896 H13.688 Al4 Br6.104 -","- C13.896 H13.688 Al4 Br6.104 -","1","0.5","","Lückert, Paula L.; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9,10-dihydro-9,10-dialuminaanthracenes","Chemical Science","2024","","","","","10.1039/D4SC06940D","","","0.71073","MoKα","","0.0629","0.0472","","","0.0986","0.1077","","","","","","1.031","","","","has coordinates,has disorder","295984","2024-11-18","23:09:40",""
"1573184","9.87648","0.00019","14.3894","0.0003","15.3682","0.0003","90","","104.96","0.002","90","","2110.05","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H24.67 Al2 N2.67 O0.67 -","- C21.9996 H24.666 Al2 N2.6666 O0.6666 -","- C87.9984 H98.664 Al8 N10.6664 O2.6664 -","4","1","","Lückert, Paula L.; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9,10-dihydro-9,10-dialuminaanthracenes","Chemical Science","2024","","","","","10.1039/D4SC06940D","","","0.71073","MoKα","","0.0674","0.0631","","","0.1552","0.1581","","","","","","1.097","","","","has coordinates,has disorder","295984","2024-11-18","23:09:41",""
"1573185","19.694","0.003","7.0404","0.0006","19.08","0.004","90","","120.073","0.018","90","","2289.4","0.8","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 Al2 Br2 O2 -","- C20 H28 Al2 Br2 O2 -","- C80 H112 Al8 Br8 O8 -","4","0.5","","Lückert, Paula L.; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9,10-dihydro-9,10-dialuminaanthracenes","Chemical Science","2024","","","","","10.1039/D4SC06940D","","","0.71073","MoKα","","0.0608","0.0439","","","0.0956","0.0984","","","","","","1.034","","","","has coordinates","295984","2024-11-18","23:09:41",""
"1573186","9.5845","0.0004","13.7779","0.0005","16.7652","0.0006","90","","106.151","0.004","90","","2126.54","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Al2 Br2 O2 -","- C20 H24 Al2 Br2 O2 -","- C80 H96 Al8 Br8 O8 -","4","1","","Lückert, Paula L.; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9,10-dihydro-9,10-dialuminaanthracenes","Chemical Science","2024","","","","","10.1039/D4SC06940D","","","0.71073","MoKα","","0.0427","0.0325","","","0.0619","0.0651","","","","","","1.108","","","","has coordinates","295984","2024-11-18","23:09:42",""
"1573187","8.071","0.0005","8.2992","0.0006","9.8658","0.0007","108.901","0.007","101.51","0.006","103.983","0.006","578.24","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H8 Al4 Br8 -","- C12 H8 Al4 Br8 -","- C12 H8 Al4 Br8 -","1","0.5","","Lückert, Paula L.; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9,10-dihydro-9,10-dialuminaanthracenes","Chemical Science","2024","","","","","10.1039/D4SC06940D","","","0.71073","MoKα","","0.0376","0.0332","","","0.0827","0.0867","","","","","","1.07","","","","has coordinates","295984","2024-11-18","23:09:42",""
"1573188","9.0374","0.0007","9.3213","0.0006","9.7274","0.0009","110.307","0.007","104.486","0.008","104.444","0.006","691.18","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 Al2 Br2 N2 -","- C28 H24 Al2 Br2 N2 -","- C28 H24 Al2 Br2 N2 -","1","0.5","","Lückert, Paula L.; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9,10-dihydro-9,10-dialuminaanthracenes","Chemical Science","2024","","","","","10.1039/D4SC06940D","","","0.71073","MoKα","","0.0472","0.0366","","","0.0652","0.0678","","","","","","1.162","","","","has coordinates,has disorder","295984","2024-11-18","23:09:42",""
"1573189","9.4049","0.0004","16.9807","0.0006","10.3837","0.0004","90","","108.989","0.004","90","","1568.05","0.11","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H40 Al2 Br5 N -","- C22 H40 Al2 Br5 N -","- C44 H80 Al4 Br10 N2 -","2","1","","Lückert, Paula L.; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9,10-dihydro-9,10-dialuminaanthracenes","Chemical Science","2024","","","","","10.1039/D4SC06940D","","","0.71073","MoKα","","0.0537","0.0416","","","0.0901","0.0965","","","","","","1.01","","","","has coordinates","295984","2024-11-18","23:09:43",""
"1573190","9.9086","0.0005","13.8047","0.0006","16.1315","0.0007","90","","95.104","0.004","90","","2197.8","0.18","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 Al2 O2 -","- C22 H30 Al2 O2 -","- C88 H120 Al8 O8 -","4","1","","Lückert, Paula L.; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9,10-dihydro-9,10-dialuminaanthracenes","Chemical Science","2024","","","","","10.1039/D4SC06940D","","","0.71073","MoKα","","0.08","0.0563","","","0.1451","0.1612","","","","","","1.039","","","","has coordinates,has disorder","295984","2024-11-18","23:09:43",""
"1573191","14.265","0.003","8.009","0.002","19.2","0.004","90","","106.474","0.006","90","","2103.5","0.8","298","","298","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C58 H42 -","- C58 H42 -","- C116 H84 -","2","1","","Sharma, Himanshu; Jana, Palash; Mallick, Dibyendu; Bandyopadhyay, Subhajit; Das, Soumyajit","6,6'-Biindeno[1,2-b]fluorene: an open-shell indenofluorene dimer","Chemical Science","2024","","","","","10.1039/D4SC03996C","","x-ray","0.71073","MoKα","","0.1117","0.0657","","","0.1378","0.1569","","","","","","1.0448","","","","has coordinates","295985","2024-11-18","23:11:03",""
"1573207","11.15335","0.00007","17.41068","0.00009","14.0624","0.00009","90","","108.155","0.0007","90","","2594.8","0.03","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl (2<i>RS</i>,3<i>SR</i>,4<i>RS</i>)-1-ethyl-2-(furan-2-yl)-4-hydroxy-5-oxopyrrolidine-3-carboxylate","","- C13 H17 N O5 -","- C13 H17 N O5 -","- C104 H136 N8 O40 -","8","2","HB4491","Mohd Rosli, Nor Habibah; Mohammat, Mohd Fazli; Abdul Manan, Mohd Abdul Fatah; Cordes, David B.; McKay, Aidan P.","Ethyl (2RS,3SR,4RS)-1-ethyl-2-(furan-2-yl)-4-hydroxy-5-oxopyrrolidine-3-carboxylate","IUCrData","2024","9","11","","","10.1107/S2414314624010885","","x-ray","1.54184","CuKα","","0.0385","0.0361","","","0.1051","0.107","","","","","","1.077","","","","has coordinates,has disorder","296006","2024-11-20","02:52:51",""
"1573208","9.4438","0.0004","7.9296","0.0003","18.6153","0.0008","90","","90","","90","","1394.02","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[diphenyltin(IV)]-di-μ-isothiocyanato]","","- C14 H10 N2 S2 Sn -","- C14 H10 N2 S2 Sn -","- C56 H40 N8 S8 Sn4 -","4","0.5","TK4112","Pancratz, Ann-Kathrin; Kamrowski, Anne; Reuter, Hans","catena-Poly[[diphenyltin(IV)]-di-μ-isothiocyanato]: an unprecedented layered coordination polymer resulting from bridging κ2 N:S thiocyanato ligands","IUCrData","2024","9","11","","","10.1107/S2414314624010939","","","0.71073","MoKα","","0.0252","0.0208","","","0.0516","0.0553","","","","","","1.08","","","","has coordinates","296007","2024-11-20","02:53:07",""
"1573209","7.9646","0.0006","17.083","0.0015","8.0572","0.0006","90","","111.425","0.006","90","","1020.5","0.15","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(10<i>Z</i>)-4<i>H</i>,5<i>H</i>,6<i>H</i>,7<i>H</i>,8<i>H</i>,9<i>H</i>-Cyclodeca[<i>d</i>][1,2,3]selenadiazole","","- C10 H14 N2 Se -","- C10 H14 N2 Se -","- C40 H56 N8 Se4 -","4","1","BT4160","Schollmeyer, Dieter; Detert, Heiner","(10Z)-4H,5H,6H,7H,8H,9H-Cyclodeca[d][1,2,3]selenadiazole","IUCrData","2024","9","11","","","10.1107/S2414314624011076","","","0.71073","MoKα","","0.0406","0.03","","","0.0624","0.0674","","","","","","1.124","","","","has coordinates","296008","2024-11-20","02:53:21",""
"1573210","12.8578","0.0004","25.9009","0.0017","15.8434","0.0006","90","","113.448","0.001","90","","4840.6","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","diaqua-(meso-tetraphenylporphyrinaluminium(III) chloride-dichloromethane-diethylether (1:1:2)","","- C53 H54 Al Cl3 N4 O4 -","- C53 H54 Al Cl3 N4 O4 -","- C212 H216 Al4 Cl12 N16 O16 -","4","1","","Kumar, Nitin; Gastelu, Gabriela; Zabransky, Martin; Kukla, Jaroslav; Uranga, Jorge Gustavo; Hulla, Martin","Aluminium porphyrins catalyse the hydrogenation of CO2 withH2","Chemical Science","2024","","","","","10.1039/D4SC03665D","","","0.71073","MoKα","","0.0563","0.0489","","","0.1141","0.1182","","","","","","1.086","","","","has coordinates","296015","2024-11-20","23:07:18",""
"1573211","14.4907","0.0003","14.4907","0.0003","9.9423","0.0003","90","","90","","90","","2087.69","0.09","120","2","120","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","bis(diethylether)-(meso-tetraphenylporphyrinato)aluminium(III) complex","","- C52 H48 Al N4 O2 -","- C52 H48 Al N4 O2 -","- C104 H96 Al2 N8 O4 -","2","0.25","","Kumar, Nitin; Gastelu, Gabriela; Zabransky, Martin; Kukla, Jaroslav; Uranga, Jorge Gustavo; Hulla, Martin","Aluminium porphyrins catalyse the hydrogenation of CO2 withH2","Chemical Science","2024","","","","","10.1039/D4SC03665D","","","0.71073","MoKα","","0.0406","0.039","","","0.0967","0.0978","","","","","","1.106","","","","has coordinates,has disorder","296015","2024-11-20","23:07:19",""
"1573212","13.4603","0.0005","14.4286","0.0005","14.836","0.0005","65.646","0.001","68.39","0.001","83.657","0.001","2437.53","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","diaqua-(meso-tetraphenylporphyrinaluminium(III) chloride-2,4,6-collidine-dichloromethane (1:1:2)","","- C54 H47 Al Cl5 N5 O2 -","- C54 H47 Al Cl5 N5 O2 -","- C108 H94 Al2 Cl10 N10 O4 -","2","1","","Kumar, Nitin; Gastelu, Gabriela; Zabransky, Martin; Kukla, Jaroslav; Uranga, Jorge Gustavo; Hulla, Martin","Aluminium porphyrins catalyse the hydrogenation of CO2 withH2","Chemical Science","2024","","","","","10.1039/D4SC03665D","","","0.71073","MoKα","","0.0464","0.0424","","","0.1015","0.1039","","","","","","1.051","","","","has coordinates","296015","2024-11-20","23:07:19",""
"1573213","3.9971","0.0001","7.0195","0.0002","40.9871","0.001","90","","90","","90","","1150","0.05","298","2","297.97","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 Br N O2 S -","- C10 H8 Br N O2 S -","- C40 H32 Br4 N4 O8 S4 -","4","1","","Chen, Ci; Zhang, Qiaoya; Huang, Zhiwei; Ouyang, Wensen; Gao, Yang; Luo, Jiye; Liu, Yuan; Huo, Yanping; Chen, Qian; Li, Xianwei","Ru(ii)-catalyzed regioselective oxidative Heck reaction with internal olefins that tolerated strongly coordinating heterocycles.","Chemical science","2024","15","47","20064","20072","10.1039/d4sc07036d","","","0.71073","MoKα","","0.036","0.0317","","","0.0786","0.0805","","","","","","1.031","","","","has coordinates","296344","2024-12-06","15:52:08",""
"1573214","6.5459","0.0006","7.4134","0.0004","27.118","0.003","90","","96.115","0.009","90","","1308.5","0.2","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Br O3 -","- C14 H13 Br O3 -","- C56 H52 Br4 O12 -","4","1","","Xu, Zurong; Zhu, Dong; Wu, Rui; Zhu, Shifa","Tandem Rh(II)-catalyzed 1,3-acyloxy migration/intermolecular [2+2] cycloaddition of electronically deficient propargylic esters with alkenes and alkynes","Chemical Science","2024","","","","","10.1039/D4SC06458E","","x-ray","1.54184","CuKα","","0.1251","0.1137","","","0.3452","0.3523","","","","","","2.595","","","","has coordinates,has disorder","296017","2024-11-20","23:07:57",""
"1573215","6.7856","0.0004","6.0442","0.0004","16.6292","0.0009","90","","92.683","0.005","90","","681.27","0.07","149.99","0.1","149.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H14 O5 -","- C16 H14 O5 -","- C32 H28 O10 -","2","1","","Xu, Zurong; Zhu, Dong; Wu, Rui; Zhu, Shifa","Tandem Rh(II)-catalyzed 1,3-acyloxy migration/intermolecular [2+2] cycloaddition of electronically deficient propargylic esters with alkenes and alkynes","Chemical Science","2024","","","","","10.1039/D4SC06458E","","x-ray","1.54184","CuKα","","0.0853","0.0834","","","0.2455","0.2464","","","","","","1.141","","","","has coordinates","296017","2024-11-20","23:07:58",""
"1573216","10.8995","0.0005","16.7093","0.0008","13.8142","0.0006","90","","108.662","0.002","90","","2383.61","0.19","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 Cu2 I3 N5 O -","- C17 H24 Cu2 I3 N5 O -","- C68 H96 Cu8 I12 N20 O4 -","4","1","","Chen, Jingwen; Zhou, Kang; Li, Jingbai; Xu, Guozhong; Hei, Xiuze; Li, Jing","Strongly Photoluminescent and Radioluminescent Copper(I) Iodide Hybrid Materials Made of Coordinated Ionic Chains","Chemical Science","2024","","","","","10.1039/D4SC06242F","","","0.71073","MoKα","","0.0753","0.054","","","0.1045","0.1117","","","","","","1.257","","","","has coordinates,has disorder","296018","2024-11-20","23:08:38",""
"1573217","11.453","0.0013","17.025","0.002","12.8883","0.0013","90","","94.855","0.003","90","","2504","0.5","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Cu2 I3 N5 O -","- C18 H26 Cu2 I3 N5 O -","- C72 H104 Cu8 I12 N20 O4 -","4","1","","Chen, Jingwen; Zhou, Kang; Li, Jingbai; Xu, Guozhong; Hei, Xiuze; Li, Jing","Strongly Photoluminescent and Radioluminescent Copper(I) Iodide Hybrid Materials Made of Coordinated Ionic Chains","Chemical Science","2024","","","","","10.1039/D4SC06242F","","","0.71073","MoKα","","0.0861","0.0605","","","0.124","0.1352","","","","","","1.166","","","","has coordinates,has disorder","296018","2024-11-20","23:08:38",""
"1573218","10.1107","0.0015","11.2297","0.0018","11.9172","0.0017","73.93","0.006","67.168","0.005","71.862","0.006","1166.1","0.3","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H47 Cu4 I6 N9 O2 -","- C34 H47 Cu4 I6 N9 O2 -","- C34 H47 Cu4 I6 N9 O2 -","1","0.5","","Chen, Jingwen; Zhou, Kang; Li, Jingbai; Xu, Guozhong; Hei, Xiuze; Li, Jing","Strongly Photoluminescent and Radioluminescent Copper(I) Iodide Hybrid Materials Made of Coordinated Ionic Chains","Chemical Science","2024","","","","","10.1039/D4SC06242F","","","0.71073","MoKα","","0.0554","0.0436","","","0.0969","0.1023","","","","","","1.15","","","","has coordinates,has disorder","296018","2024-11-20","23:08:38",""
"1573219","11.4886","0.001","13.4361","0.001","15.0603","0.0012","90","","98.972","0.003","90","","2296.3","0.3","200","","200","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 Cu2 I3 N4 O2 -","- C15 H19 Cu2 I3 N4 O2 -","- C60 H76 Cu8 I12 N16 O8 -","4","1","","Chen, Jingwen; Zhou, Kang; Li, Jingbai; Xu, Guozhong; Hei, Xiuze; Li, Jing","Strongly Photoluminescent and Radioluminescent Copper(I) Iodide Hybrid Materials Made of Coordinated Ionic Chains","Chemical Science","2024","","","","","10.1039/D4SC06242F","","","0.71073","MoKα","","0.0721","0.0506","","","0.1209","0.1343","","","","","","1.087","","","","has coordinates,has disorder","296018","2024-11-20","23:08:38",""
"1573220","8.585","0.002","12.11","0.003","29.773","0.006","90","","90.461","0.009","90","","3095.2","1.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Pt-H_PtBu3_2-CH3CN [BF3]","","- C26 H58 B F4 N P2 Pt -","- C26 H58 B F4 N P2 Pt -","- C104 H232 B4 F16 N4 P8 Pt4 -","4","1","","Atterberry, Benjamin A.; Wimmer, Erik; Klostermann, Sina; Frey, Wolfgang; Kästner, Johannes; Estes, Deven; Rossini, Aaron J.","Structural Characterization of Surface Immobilized Platinum Hydrides by Sensitivity-Enhanced 195Pt Solid State NMR Spectroscopy and DFT Calculations","Chemical Science","2024","","","","","10.1039/D4SC06450J","","","0.71073","MoKα","","0.1365","0.0863","","","0.1705","0.198","","","","","","1.046","","","","has coordinates","296019","2024-11-20","23:09:09",""
"1573221","11.5231","0.0004","16.5896","0.0004","16.5713","0.0005","90","","106.8","0.002","90","","3032.63","0.16","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Pt-H_PtBu3_2-H2O [BF3]","","- C24 H57 B F4 O P2 Pt -","- C24 H57 B F4 O P2 Pt -","- C96 H228 B4 F16 O4 P8 Pt4 -","4","1","","Atterberry, Benjamin A.; Wimmer, Erik; Klostermann, Sina; Frey, Wolfgang; Kästner, Johannes; Estes, Deven; Rossini, Aaron J.","Structural Characterization of Surface Immobilized Platinum Hydrides by Sensitivity-Enhanced 195Pt Solid State NMR Spectroscopy and DFT Calculations","Chemical Science","2024","","","","","10.1039/D4SC06450J","","","0.71073","MoKα","","0.0839","0.0412","","","0.0523","0.0611","","","","","","1.014","","","","has coordinates","296019","2024-11-20","23:09:10",""
"1573222","11.1587","0.0003","19.7667","0.0005","16.9439","0.0005","90","","96.666","0.001","90","","3712.06","0.18","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","Pt-H_PtBu3_2 [BF3]","","- C26 H59 B Cl4 F4 P2 Pt -","- C26 H59 B Cl4 F4 P2 Pt -","- C104 H236 B4 Cl16 F16 P8 Pt4 -","4","1","","Atterberry, Benjamin A.; Wimmer, Erik; Klostermann, Sina; Frey, Wolfgang; Kästner, Johannes; Estes, Deven; Rossini, Aaron J.","Structural Characterization of Surface Immobilized Platinum Hydrides by Sensitivity-Enhanced 195Pt Solid State NMR Spectroscopy and DFT Calculations","Chemical Science","2024","","","","","10.1039/D4SC06450J","","","0.71073","MoKα","","0.0269","0.0239","","","0.0512","0.0523","","","","","","1.033","","","","has coordinates,has disorder","296019","2024-11-20","23:09:10",""
"1573223","14.0277","0.0006","31.9593","0.0012","20.8847","0.0008","90","","90","","90","","9362.9","0.6","120","","120","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C70 H92 Cl2 N6 O26 Zr6 -","- C58 H64 Cl2 N2 O22 Zr6 -","- C232 H256 Cl8 N8 O88 Zr24 -","4","0.5","","Morey, Merissa N.; Montone, Christine M.; Dworzak, Michael; Yap, Glenn P. A.; Bloch, Eric D.","Tunable Synthesis of Heteroleptic Zirconium-Based Porous Coordination Cages","Chemical Science","2024","","","","","10.1039/D4SC06023G","","","1.54178","CuKα","","0.1161","0.1118","","","0.2385","0.2408","","","","","","1.17","","","","has coordinates,has disorder","296020","2024-11-20","23:09:38",""
"1573224","10.5045","0.0011","6.2032","0.0005","13.9819","0.0013","90","","102.093","0.01","90","","890.86","0.15","197.15","","197.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H5 As S2 -","- C9 H5 As S2 -","- C36 H20 As4 S8 -","4","1","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: Stable and Planer π-Extended Arsabenzenes","Chemical Science","2024","","","","","10.1039/D4SC06590E","","x-ray","0.71073","MoKα","","0.0422","0.0363","","","0.0963","0.1018","","","","","","1.079","","","","has coordinates","296021","2024-11-20","23:10:57",""
"1573225","13.4892","0.0012","8.5408","0.0007","23.219","0.002","90","","97.422","0.009","90","","2652.6","0.4","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H9 As S2 -","- C17 H9 As S2 -","- C136 H72 As8 S16 -","8","1","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: Stable and Planer π-Extended Arsabenzenes","Chemical Science","2024","","","","","10.1039/D4SC06590E","","x-ray","0.71073","MoKα","","0.083","0.0461","","","0.0847","0.1027","","","","","","0.993","","","","has coordinates","296021","2024-11-20","23:10:57",""
"1573226","13.1348","0.0011","8.5422","0.0005","12.1986","0.001","90","","93.983","0.008","90","","1365.38","0.18","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H9 As S2 -","- C17 H9 As S2 -","- C68 H36 As4 S8 -","4","1","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: Stable and Planer π-Extended Arsabenzenes","Chemical Science","2024","","","","","10.1039/D4SC06590E","","x-ray","0.71073","MoKα","","0.1277","0.0622","","","0.1284","0.1643","","","","","","1.112","","","","has coordinates,has disorder","296021","2024-11-20","23:10:57",""
"1573227","13.2423","0.0008","8.4253","0.0006","23.582","0.0015","90","","97.092","0.006","90","","2610.9","0.3","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H9 P S2 -","- C17 H9 P S2 -","- C136 H72 P8 S16 -","8","1","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: Stable and Planer π-Extended Arsabenzenes","Chemical Science","2024","","","","","10.1039/D4SC06590E","","x-ray","0.71073","MoKα","","0.0437","0.0359","","","0.0902","0.0963","","","","","","1.096","","","","has coordinates","296021","2024-11-20","23:10:57",""
"1573228","7.4187","0.0003","13.2453","0.0005","17.9755","0.0007","77.315","0.003","81.898","0.004","76.885","0.004","1670.53","0.12","180.15","","180.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H20 O3 P2 S4 -","- C34 H20 O3 P2 S4 -","- C68 H40 O6 P4 S8 -","2","1","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: Stable and Planer π-Extended Arsabenzenes","Chemical Science","2024","","","","","10.1039/D4SC06590E","","","1.54184","CuKα","","0.1263","0.1064","","","0.288","0.3047","","","","","","1.048","","","","has coordinates,has disorder","296021","2024-11-20","23:10:58",""
"1573229","8.0954","0.0006","11.366","0.0007","15.4655","0.0008","87.822","0.005","85.309","0.005","80.114","0.006","1396.77","0.16","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H16 As2 S4 -","- C34 H16 As2 S4 -","- C68 H32 As4 S8 -","2","1","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: Stable and Planer π-Extended Arsabenzenes","Chemical Science","2024","","","","","10.1039/D4SC06590E","","x-ray","0.71073","MoKα","","0.0609","0.0421","","","0.0969","0.1076","","","","","","1.016","","","","has coordinates","296021","2024-11-20","23:10:58",""
"1573230","14.5703","0.0009","3.9421","0.0003","23.8017","0.0018","90","","99.317","0.007","90","","1349.08","0.17","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H9 As S2 -","- C17 H9 As S2 -","- C68 H36 As4 S8 -","4","1","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: Stable and Planer π-Extended Arsabenzenes","Chemical Science","2024","","","","","10.1039/D4SC06590E","","x-ray","0.71073","MoKα","","0.0685","0.0503","","","0.1254","0.1369","","","","","","1.053","","","","has coordinates","296021","2024-11-20","23:10:58",""
"1573231","10.403","0.0004","14.0494","0.0005","10.7101","0.0004","90","","99.246","0.003","90","","1545.01","0.1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 As O4 S2 -","- C15 H11 As O4 S2 -","- C60 H44 As4 O16 S8 -","4","1","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: Stable and Planer π-Extended Arsabenzenes","Chemical Science","2024","","","","","10.1039/D4SC06590E","","x-ray","0.71073","MoKα","","0.0359","0.0328","","","0.0895","0.0931","","","","","","1.034","","","","has coordinates","296021","2024-11-20","23:10:58",""
"1573232","6.1248","0.0003","11.3296","0.0006","12.9122","0.0007","90","","95.535","0.006","90","","891.82","0.08","100","","100","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C9 H5 As S2 -","- C9 H5 As S2 -","- C36 H20 As4 S8 -","4","2","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: Stable and Planer π-Extended Arsabenzenes","Chemical Science","2024","","","","","10.1039/D4SC06590E","","x-ray","0.71073","MoKα","","0.0339","0.0299","","","0.0712","0.0737","","","","","","1.037","","","","has coordinates,has disorder","296021","2024-11-20","23:10:58",""
"1573233","7.312","0.0005","10.1653","0.0008","11.2954","0.0008","92.355","0.006","106.909","0.006","100.48","0.006","785.92","0.1","256","","256","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H5 As O5 S2 W -","- C14 H5 As O5 S2 W -","- C28 H10 As2 O10 S4 W2 -","2","1","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: Stable and Planer π-Extended Arsabenzenes","Chemical Science","2024","","","","","10.1039/D4SC06590E","","x-ray","0.71073","MoKα","","0.1186","0.0985","","","0.259","0.2985","","","","","","1.105","","","","has coordinates","296021","2024-11-20","23:10:58",""
"1573234","16.1897","0.0005","7.1373","0.0003","31.4478","0.0009","90","","90.732","0.003","90","","3633.5","0.2","100","","100","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C23 H13 As S2 -","- C23 H13 As S2 -","- C184 H104 As8 S16 -","8","1","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: Stable and Planer π-Extended Arsabenzenes","Chemical Science","2024","","","","","10.1039/D4SC06590E","","x-ray","0.71073","MoKα","","0.0359","0.0345","","","0.0909","0.0919","","","","","","1.084","","","","has coordinates","296021","2024-11-20","23:10:58",""
"1573235","17.8326","0.0012","7.736","0.0006","30.234","0.0015","90","","90","","90","","4170.9","0.5","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H15 As O4 S2 -","- C23 H15 As O4 S2 -","- C184 H120 As8 O32 S16 -","8","2","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: Stable and Planer π-Extended Arsabenzenes","Chemical Science","2024","","","","","10.1039/D4SC06590E","","x-ray","0.71073","MoKα","","0.0502","0.0412","","","0.0921","0.099","","","","","","1.056","","","","has coordinates","296021","2024-11-20","23:10:58",""
"1573236","6.499","0.003","11.218","0.004","17.798","0.008","97.448","0.014","93.423","0.014","90.73","0.02","1284.1","0.9","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C37 H24 N2 O -","- C37 H24 N2 O -","- C74 H48 N4 O2 -","2","1","","Dai, Hui; Liang, Yaohui; Long, Xiang; Tang, Tianyi; Xie, Haozhi; Ma, Zhiwei; Li, Gaoyu; Yang, Zhiyong; Zhao, Juan; Chi, Zhenguo","Effective Design Strategy for Thermally Activated Delayed Fluorescence Emitters with Aggregation-Induced emission to Enable Sky-blue OLEDs Achieving EQE Nearly 30%","Chemical Science","2024","","","","","10.1039/D4SC06613H","","","1.34138","GaKα","","0.1119","0.0614","","","0.147","0.1763","","","","","","1.019","","","","has coordinates","296022","2024-11-20","23:11:36",""
"1573237","5.7116","0.0005","12.3669","0.0009","18.667","0.0014","102.633","0.006","91.04","0.006","92.503","0.006","1284.87","0.18","149.99","0.1","149.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C37 H22 N2 O2 -","- C37 H22 N2 O2 -","- C74 H44 N4 O4 -","2","1","","Dai, Hui; Liang, Yaohui; Long, Xiang; Tang, Tianyi; Xie, Haozhi; Ma, Zhiwei; Li, Gaoyu; Yang, Zhiyong; Zhao, Juan; Chi, Zhenguo","Effective Design Strategy for Thermally Activated Delayed Fluorescence Emitters with Aggregation-Induced emission to Enable Sky-blue OLEDs Achieving EQE Nearly 30%","Chemical Science","2024","","","","","10.1039/D4SC06613H","","x-ray","0.71073","MoKα","","0.1437","0.0737","","","0.1544","0.195","","","","","","0.991","","","","has coordinates","296022","2024-11-20","23:11:36",""
"1573238","8.9379","0.0003","12.3047","0.0004","14.7566","0.0005","89.051","0.003","74.903","0.003","86.783","0.003","1564.42","0.09","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C15 H29 Li N2 -","- C15 H29 Li N2 -","- C60 H116 Li4 N8 -","4","2","","Tang, Jian; Fu, Yuan; Hua, Jing; Zhang, Jiahao; Peng, Shuoli; Li, Zhibo","Unlocking Regioselectivity: Steric Effects and Conformational Constraints of Lewis Bases in Alkyllithium-Initiated Butadiene Polymerization","Chemical Science","2024","","","","","10.1039/D4SC05144K","","x-ray","0.71073","MoKα","","0.0896","0.0728","","","0.192","0.2026","","","","","","1.034","","","","has coordinates","296023","2024-11-20","23:11:56",""
"1573239","21.868","0.003","22.557","0.003","22.892","0.003","90","","90","","90","","11292","3","273.15","","273.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C40 H54 Ag6 F9 N5 O7 S3 -","- C36 H45 Ag6 F9 N4 O6 S3 -","- C288 H360 Ag48 F72 N32 O48 S24 -","8","1","","Nakatani, Riki; Sakai, Jin; Saha, Aishik; Kondo, Ayumu; Tomioka, Rina; Kawawaki, Tokuhisa; Das, Saikat; Negishi, Yuichi","Designed construction of two new atom-precise three-dimensional and two-dimensional Ag12 cluster-assembled materials","Nanoscale","2024","","","","","10.1039/D4NR03992K","","","0.71073","MoKα","","0.1018","0.0531","","","0.099","0.1173","","","","","","0.964","","","","has coordinates","296034","2024-11-21","01:21:43",""
"1573240","24.5604","0.0004","24.5604","0.0004","21.6065","0.0006","90","","90","","120","","11287.2","0.4","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C18 H23 Ag2 F3 N O3.5 S -","- C15 H14 Ag2 F3 N O2 S -","- C270 H252 Ag36 F54 N18 O36 S18 -","18","1","","Nakatani, Riki; Sakai, Jin; Saha, Aishik; Kondo, Ayumu; Tomioka, Rina; Kawawaki, Tokuhisa; Das, Saikat; Negishi, Yuichi","Designed construction of two new atom-precise three-dimensional and two-dimensional Ag12 cluster-assembled materials","Nanoscale","2024","","","","","10.1039/D4NR03992K","","x-ray","1.54184","CuKα","","0.0417","0.0379","","","0.1049","0.1076","","","","","","1.07","","","","has coordinates","296034","2024-11-21","01:21:54",""
"1573250","8.759","0.002","8.907","0.003","15.126","0.005","73.632","0.007","82","0.011","75.587","0.007","1093.6","0.6","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 Br2 N O2 -","- C23 H21 Br2 N O2 -","- C46 H42 Br4 N2 O4 -","2","1","","Navaneetha, N.; Maurya, Sundaram; Behera, Prativa; Jadhav, Sandip B.; Magham, Lakshmi Revati; Nanubolu, Jagadeesh Babu; Roy, Lisa; Chegondi, Rambabu","BINAP-CuH-catalysed enantioselective allylation using alkoxyallenes to access 1,2-syn-tert,sec-diols","Chemical Science","2024","","","","","10.1039/D4SC07002J","","","0.71073","MoKα","","0.0971","0.0484","","","0.094","0.1115","","","","","","1.004","","","","has coordinates","296050","2024-11-21","23:06:09",""
"1573251","8.0727","0.0018","17.381","0.003","8.2903","0.0016","90","","117.903","0.005","90","","1028","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H26 O3 -","- C25 H26 O3 -","- C50 H52 O6 -","2","1","","Navaneetha, N.; Maurya, Sundaram; Behera, Prativa; Jadhav, Sandip B.; Magham, Lakshmi Revati; Nanubolu, Jagadeesh Babu; Roy, Lisa; Chegondi, Rambabu","BINAP-CuH-catalysed enantioselective allylation using alkoxyallenes to access 1,2-syn-tert,sec-diols","Chemical Science","2024","","","","","10.1039/D4SC07002J","","","0.71073","MoKα","","0.0395","0.0351","","","0.082","0.0845","","","","","","1.053","","","","has coordinates","296050","2024-11-21","23:06:10",""
"1573252","12.9997","0.0008","10.7801","0.0006","16.7201","0.0011","90","","97.231","0.002","90","","2324.5","0.2","294","2","294","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 O3 -","- C26 H34 O3 -","- C104 H136 O12 -","4","1","","Navaneetha, N.; Maurya, Sundaram; Behera, Prativa; Jadhav, Sandip B.; Magham, Lakshmi Revati; Nanubolu, Jagadeesh Babu; Roy, Lisa; Chegondi, Rambabu","BINAP-CuH-catalysed enantioselective allylation using alkoxyallenes to access 1,2-syn-tert,sec-diols","Chemical Science","2024","","","","","10.1039/D4SC07002J","","","0.71073","MoKα","","0.0771","0.0506","","","0.1249","0.1436","","","","","","1.031","","","","has coordinates,has disorder","296050","2024-11-21","23:06:10",""
"1573254","8.9329","0.0004","9.2591","0.0003","11.0005","0.0004","97.817","0.003","98.36","0.003","109.228","0.004","833.34","0.06","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C11 H15 Ag F6 N5 P -","- C11 H15 Ag F6 N5 P -","- C22 H30 Ag2 F12 N10 P2 -","2","1","","Chen, Zhe; Ouyang, Laofeng; Wang, Ning; Li, Weikang; Ke, Zhuofeng","Remote C-H Bond Cooperation Strategy Enabled Silver Catalyzed Borrowing Hydrogen Reactions","Chemical Science","2024","","","","","10.1039/D4SC05486E","","x-ray","1.54184","CuKα","","0.0617","0.0599","","","0.1432","0.1471","","","","","","1.078","","","","has coordinates","296072","2024-11-22","23:09:40",""
"1573255","11.2729","0.0013","21.486","0.002","6.9612","0.0007","90","","111.597","0.005","90","","1567.7","0.3","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H64 Ag4 F24 N16 P4 -","- C40 H64 Ag4 F24 N16 P4 -","- C40 H64 Ag4 F24 N16 P4 -","1","0.125","","Chen, Zhe; Ouyang, Laofeng; Wang, Ning; Li, Weikang; Ke, Zhuofeng","Remote C-H Bond Cooperation Strategy Enabled Silver Catalyzed Borrowing Hydrogen Reactions","Chemical Science","2024","","","","","10.1039/D4SC05486E","","","1.34138","GaKα","","0.0584","0.0498","","","0.1459","0.1539","","","","","","1.145","","","","has coordinates","296072","2024-11-22","23:09:40",""
"1573256","28.333","0.003","43.635","0.004","40.669","0.004","90","","90","","90","","50280","9","101","","101","","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C760 H564 Cd16 N96 O16 -","- C760 H564 Cd16 N96 O16 -","- C1520 H1128 Cd32 N192 O32 -","2","0.125","","Li, Yu-Qing; Zhao, He; Han, Ermeng; Jiang, Zhiyuan; Bai, Qixia; Guan, Yuming; Zhang, Zhe; Wu, Tun; Wang, Pingshan","Dynamic selection in metallo-organic cube CdⅡ8L4 conformations induced by perfluorooctanoate encapsulation","Chemical Science","2024","","","","","10.1039/D4SC07105K","","","1.34139","GaKα","","0.1581","0.1346","","","0.3925","0.4217","","","","","","1.826","","","","has coordinates","296073","2024-11-22","23:10:06",""
"1573257","14.6673","0.0005","17.9434","0.0003","16.4154","0.0005","90","","115.109","0.004","90","","3912","0.2","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H60 N Ni S8 -","- C32 H60 N Ni S8 -","- C128 H240 N4 Ni4 S32 -","4","1","","Abhervé, Alexandre; Mroweh, Nabil; Cui, Hengbo; Kato, Reizo; Vanthuyne, Nicolas; Alemany, Pere; Canadell, Enric; Avarvari, Narcis","Enantiomorphic single component conducting nickel(II) and platinum(II) bis(diethyl-dddt) crystalline complexes†","Nanoscale","2024","","","","","10.1039/D4NR04048A","","","1.54184","CuKα","","0.0706","0.0619","","","0.1601","0.1677","","","","","","1.046","","","","has coordinates,has disorder","296077","2024-11-23","01:09:49",""
"1573258","14.6382","0.0002","14.6382","0.0002","20.8242","0.0004","90","","90","","90","","4462.15","0.12","150","0.3","150","0.3","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C16 H24 Ni S8 -","- C16 H24 Ni S8 -","- C128 H192 Ni8 S64 -","8","1","","Abhervé, Alexandre; Mroweh, Nabil; Cui, Hengbo; Kato, Reizo; Vanthuyne, Nicolas; Alemany, Pere; Canadell, Enric; Avarvari, Narcis","Enantiomorphic single component conducting nickel(II) and platinum(II) bis(diethyl-dddt) crystalline complexes†","Nanoscale","2024","","","","","10.1039/D4NR04048A","","","1.54184","CuKα","","0.042","0.039","","","0.1013","0.106","","","","","","1.046","","","","has coordinates","296077","2024-11-23","01:09:49",""
"1573259","14.2738","0.0007","14.2738","0.0007","21.703","0.0011","90","","90","","90","","4421.8","0.4","149.9","0.4","149.9","0.4","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C16 H24 Ni S8 -","- C16 H21 Ni S8 -","- C128 H168 Ni8 S64 -","8","1","","Abhervé, Alexandre; Mroweh, Nabil; Cui, Hengbo; Kato, Reizo; Vanthuyne, Nicolas; Alemany, Pere; Canadell, Enric; Avarvari, Narcis","Enantiomorphic single component conducting nickel(II) and platinum(II) bis(diethyl-dddt) crystalline complexes†","Nanoscale","2024","","","","","10.1039/D4NR04048A","","","1.54184","CuKα","","0.1196","0.0981","","","0.2576","0.29","","","","","","1.027","","","","has coordinates,has disorder","296077","2024-11-23","01:09:49",""
"1573260","14.313","0.0004","14.313","0.0004","21.769","0.0007","90","","90","","90","","4459.6","0.2","150","0.1","150","0.1","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C16 H24 Pt S8 -","- C16 H24 Pt S8 -","- C128 H192 Pt8 S64 -","8","1","","Abhervé, Alexandre; Mroweh, Nabil; Cui, Hengbo; Kato, Reizo; Vanthuyne, Nicolas; Alemany, Pere; Canadell, Enric; Avarvari, Narcis","Enantiomorphic single component conducting nickel(II) and platinum(II) bis(diethyl-dddt) crystalline complexes†","Nanoscale","2024","","","","","10.1039/D4NR04048A","","","1.54184","CuKα","","0.0648","0.0505","","","0.1253","0.1359","","","","","","1.036","","","","has coordinates,has disorder","296077","2024-11-23","01:09:49",""
"1573261","14.7208","0.0002","14.7208","0.0002","20.8598","0.0005","90","","90","","90","","4520.36","0.14","150","0.4","150","0.4","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C16 H24 Pt S8 -","- C16 H24 Pt S8 -","- C128 H192 Pt8 S64 -","8","1","","Abhervé, Alexandre; Mroweh, Nabil; Cui, Hengbo; Kato, Reizo; Vanthuyne, Nicolas; Alemany, Pere; Canadell, Enric; Avarvari, Narcis","Enantiomorphic single component conducting nickel(II) and platinum(II) bis(diethyl-dddt) crystalline complexes†","Nanoscale","2024","","","","","10.1039/D4NR04048A","","","1.54184","CuKα","","0.0475","0.0445","","","0.1027","0.1049","","","","","","1.043","","","","has coordinates","296077","2024-11-23","01:09:49",""
"1573262","11.1017","0.0005","12.6011","0.0007","30.7804","0.0017","90","","96.1058","0.0018","90","","4281.6","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Triphenylphosphonium trichloridotriphenylphosphanecobaltate(II) benzene solvate","Triphenylphosphonium trichlorido(triphenylphosphane-κ<i>P</i>)cobaltate(II) benzene disolvate","","- C48 H43 Cl3 Co P2 -","- C48 H43 Cl3 Co P2 -","- C192 H172 Cl12 Co4 P8 -","4","1","WM4224","Ndima, Lubabalo; Hosten, Eric Cyriel; Betz, Richard","Triphenylphosphonium trichlorido(triphenylphosphane-κP)cobaltate(II) benzene disolvate","IUCrData","2024","9","11","","","10.1107/S2414314624011210","","","0.71073","MoKα","","0.0419","0.0318","","","0.0709","0.0807","","","","","","1.104","","","","has coordinates,has disorder","296087","2024-11-23","03:13:39",""
"1573263","6.1616","0.0003","22.3074","0.001","5.0396","0.0002","90","","99.356","0.001","90","","683.47","0.05","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,5,6-Trichloropyridin-2-ol","","- C5 H2 Cl3 N O -","- C5 H2 Cl3 N O -","- C20 H8 Cl12 N4 O4 -","4","1","HB4494","Vaughn, Tashonda M.; Soheil, Saneei; Ogundele, Olalekan M.; Fronczek, Frank R.; Uppu, Rao M.","3,5,6-Trichloropyridin-2-ol","IUCrData","2024","9","11","","","10.1107/S241431462401126X","","","0.56086","AgKα","","0.0362","0.0343","","","0.0719","0.0725","","","","","","1.325","","","","has coordinates","296088","2024-11-23","03:13:54",""
"1573264","7.7496","0.0005","9.3778","0.0006","16.6178","0.001","79.516","0.003","83.962","0.003","69.52","0.003","1111.33","0.12","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","Bis(azido-κ<i>N</i>^1^)bis(2,2'-dipyridylamine-κ^2^<i>N</i>^1^,<i>N</i>^1'^)iron(II) monohydrate","","- C20 H20 Fe N12 O -","- C20 H20 Fe N12 O -","- C40 H40 Fe2 N24 O2 -","2","1","WM4222","Setifi, Fatima; Setifi, Zouaoui; Reuter, Hans; Al-Douh, Mohammad Hadi; Addala, Abderezak","Bis(azido-κN 1)bis(2,2′-dipyridylamine-κ2 N 1,N 1′)iron(II) monohydrate","IUCrData","2024","9","11","","","10.1107/S2414314624011167","","","0.71073","MoKα","","0.0736","0.0373","","","0.0854","0.1085","","","","","","1.094","","","","has coordinates","296089","2024-11-23","03:14:28",""
"1573265","13.933","0.0003","16.7804","0.0004","19.2576","0.0005","90","","95.774","0.002","90","","4479.61","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H66 B0 Mo N P4 -","- C44 H73 B Mo P4 -","- C176 H292 B4 Mo4 P16 -","4","1","","Queyriaux, Nicolas; Cabrera-Trujillo, Jorge J.; Durvin, Nina; Vendier, Laure; Miqueu, Karinne; Simonneau, Antoine","Reactivity of metal hydrides with CO2: going beyond formate with a high-valent cationic pentahydride Mo(vi) complex","Chemical Science","2024","","","","","10.1039/D4SC04345F","","x-ray","1.54184","CuKα","","0.117","0.0781","","","0.2239","0.28","","","","","","1.159","","","","has coordinates,has disorder","296099","2024-11-25","23:11:07",""
"1573266","21.5133","0.0002","18.8557","0.0002","22.697","0.0002","90","","99.354","0.001","90","","9084.57","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H69 B Mo O2 P4 -","- C46 H69 B Mo O2 P4 -","- C368 H552 B8 Mo8 O16 P32 -","8","2","","Queyriaux, Nicolas; Cabrera-Trujillo, Jorge J.; Durvin, Nina; Vendier, Laure; Miqueu, Karinne; Simonneau, Antoine","Reactivity of metal hydrides with CO2: going beyond formate with a high-valent cationic pentahydride Mo(vi) complex","Chemical Science","2024","","","","","10.1039/D4SC04345F","","x-ray","1.54184","CuKα","","0.0334","0.0295","","","0.0729","0.0748","","","","","","1.02","","","","has coordinates,has disorder","296099","2024-11-25","23:11:08",""
"1573267","15.332","0.003","15.378","0.003","23.433","0.005","101.532","0.006","99.455","0.005","108.14","0.005","4989.8","1.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C94 H146 B2 Mo2 O5 P8 -","- C94 H146 B2 Mo2 O5 P8 -","- C188 H292 B4 Mo4 O10 P16 -","2","1","","Queyriaux, Nicolas; Cabrera-Trujillo, Jorge J.; Durvin, Nina; Vendier, Laure; Miqueu, Karinne; Simonneau, Antoine","Reactivity of metal hydrides with CO2: going beyond formate with a high-valent cationic pentahydride Mo(vi) complex","Chemical Science","2024","","","","","10.1039/D4SC04345F","","","0.71073","MoKα","","0.1419","0.0994","","","0.2098","0.2254","","","","","","1.189","","","","has coordinates","296099","2024-11-25","23:11:08",""
"1573268","11.2886","0.0001","25.1547","0.0002","20.9232","0.0002","90","","90.436","0.001","90","","5941.21","0.09","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51 H83 B Mo N2 P4 -","- C51 H83 B Mo N2 P4 -","- C204 H332 B4 Mo4 N8 P16 -","4","2","","Queyriaux, Nicolas; Cabrera-Trujillo, Jorge J.; Durvin, Nina; Vendier, Laure; Miqueu, Karinne; Simonneau, Antoine","Reactivity of metal hydrides with CO2: going beyond formate with a high-valent cationic pentahydride Mo(vi) complex","Chemical Science","2024","","","","","10.1039/D4SC04345F","","x-ray","1.54184","CuKα","","0.0566","0.0552","","","0.1354","0.1363","","","","","","1.049","","","","has coordinates,has disorder","296099","2024-11-25","23:11:08",""
"1573269","43.6143","0.0009","10.572","0.0002","25.1335","0.0007","90","","98.309","0.002","90","","11467.2","0.5","150","2","150","0.1","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C166 H123 -","- C166 H123 -","- C664 H492 -","4","0.5","","Sanderson, Hugh J.; Helbig, Andreas; Kociok-Köhn, Gabriele; Helten, Holger; Hintermair, Ulrich","Reversible formation of tetraphenylpentalene, a room temperature stable antiaromatic hydrocarbon","Chemical Science","2024","","","","","10.1039/D4SC06439A","","x-ray","1.54184","CuKα","","0.0655","0.0449","","","0.0994","0.1093","","","","","","1.012","","","","has coordinates,has disorder","296100","2024-11-25","23:11:38",""
"1573270","6.0446","0.0003","34.1672","0.0012","17.5241","0.0008","90","","96.228","0.004","90","","3597.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H56 Fe P2 -","- C40 H56 Fe P2 -","- C160 H224 Fe4 P8 -","4","1","","Franz, Roman; Bartek, Máté; Bruhn, Clemens; Kelemen, Zsolt; Pietschnig, Rudolf","P+ Addition and Transfer involving a Tetraphosphenium Ion","Chemical Science","2024","","","","","10.1039/D4SC06823H","","x-ray","0.71073","MoKα","","0.1228","0.0731","","","0.1798","0.2146","","","","","","1.034","","","","has coordinates,has disorder","296101","2024-11-25","23:12:05",""
"1573271","10.9377","0.0005","15.3369","0.0005","13.4763","0.0006","90","","107.121","0.003","90","","2160.47","0.16","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 B F4 Fe P3 -","- C18 H28 B F4 Fe P3 -","- C72 H112 B4 F16 Fe4 P12 -","4","1","","Franz, Roman; Bartek, Máté; Bruhn, Clemens; Kelemen, Zsolt; Pietschnig, Rudolf","P+ Addition and Transfer involving a Tetraphosphenium Ion","Chemical Science","2024","","","","","10.1039/D4SC06823H","","x-ray","0.71073","MoKα","","0.035","0.0283","","","0.0688","0.0724","","","","","","1.048","","","","has coordinates","296101","2024-11-25","23:12:06",""
"1573272","9.2572","0.0009","16.6386","0.0016","18.679","0.0018","96.852","0.008","99.363","0.008","94.47","0.008","2804.5","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H58 Al2 Cl12 Fe P4 -","- C42 H58 Al2 Cl12 Fe P4 -","- C84 H116 Al4 Cl24 Fe2 P8 -","2","1","","Franz, Roman; Bartek, Máté; Bruhn, Clemens; Kelemen, Zsolt; Pietschnig, Rudolf","P+ Addition and Transfer involving a Tetraphosphenium Ion","Chemical Science","2024","","","","","10.1039/D4SC06823H","","","1.54186","CuKα","","0.1954","0.1378","","","0.3601","0.4083","","","","","","1.049","","","","has coordinates","296101","2024-11-25","23:12:06",""
"1573273","9.9283","0.0003","32.1189","0.0007","10.3633","0.0003","90","","112.542","0.004","90","","3052.23","0.17","199.99","0.1","199.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H51 O4 Si3 Y -","- C20 H51 O4 Si3 Y -","- C80 H204 O16 Si12 Y4 -","4","1","","Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L.","Stabilization of reactive rare earth alkyl complexes through mechanistic studies","Chemical Science","2024","","","","","10.1039/D4SC05983B","","x-ray","1.54184","CuKα","","0.0563","0.049","","","0.144","0.1499","","","","","","1.07","","","","has coordinates","296102","2024-11-25","23:13:44",""
"1573274","10.6318","0.0003","9.5844","0.0003","29.2885","0.0007","90","","90.415","0.002","90","","2984.4","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Lur3G3","","- C20 H51 Lu O4 Si3 -","- C20 H51 Lu O4 Si3 -","- C80 H204 Lu4 O16 Si12 -","4","1","","Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L.","Stabilization of reactive rare earth alkyl complexes through mechanistic studies","Chemical Science","2024","","","","","10.1039/D4SC05983B","","x-ray","0.71073","MoKα","","0.0253","0.024","","","0.0558","0.0566","","","","","","1.09","","","","has coordinates","296102","2024-11-25","23:13:45",""
"1573275","19.0642","0.0001","15.9861","0.0001","19.1033","0.0001","90","","107.166","0.001","90","","5562.62","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H47 Lu O3 Si3 -","- C18 H47 Lu O3 Si3 -","- C144 H376 Lu8 O24 Si24 -","8","2","","Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L.","Stabilization of reactive rare earth alkyl complexes through mechanistic studies","Chemical Science","2024","","","","","10.1039/D4SC05983B","","x-ray","1.54184","CuKα","","0.036","0.0338","","","0.0893","0.0911","","","","","","1.078","","","","has coordinates,has disorder","296102","2024-11-25","23:13:45",""
"1573276","10.2696","0.0001","15.0304","0.0001","17.6083","0.0001","90","","90","","90","","2717.95","0.04","100","0.11","100","0.11","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H49 N2 Sc Si3 -","- C18 H49 N2 Sc Si3 -","- C72 H196 N8 Sc4 Si12 -","4","1","","Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L.","Stabilization of reactive rare earth alkyl complexes through mechanistic studies","Chemical Science","2024","","","","","10.1039/D4SC05983B","","x-ray","1.54184","CuKα","","0.026","0.0258","","","0.068","0.0682","","","","","","1.07","","","","has coordinates,has disorder","296102","2024-11-25","23:13:45",""
"1573277","9.7614","0.0001","16.1956","0.0002","17.1923","0.0002","90","","90","","90","","2717.96","0.05","99.97","0.11","99.97","0.11","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H49 Lu N2 Si3 -","- C18 H49 Lu N2 Si3 -","- C72 H196 Lu4 N8 Si12 -","4","1","","Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L.","Stabilization of reactive rare earth alkyl complexes through mechanistic studies","Chemical Science","2024","","","","","10.1039/D4SC05983B","","x-ray","1.54184","CuKα","","0.0397","0.0389","","","0.0907","0.0909","","","","","","1.049","","","","has coordinates","296102","2024-11-25","23:13:45",""
"1573278","9.4868","0.0001","15.7772","0.0001","18.6972","0.0001","90","","101.956","0.001","90","","2737.8","0.04","99.98","0.1","99.98","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H47 O3 Sc Si3 -","- C18 H47 O3 Sc Si3 -","- C72 H188 O12 Sc4 Si12 -","4","1","","Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L.","Stabilization of reactive rare earth alkyl complexes through mechanistic studies","Chemical Science","2024","","","","","10.1039/D4SC05983B","","x-ray","1.54184","CuKα","","0.0315","0.0303","","","0.0841","0.0851","","","","","","1.11","","","","has coordinates","296102","2024-11-25","23:13:45",""
"1573279","9.8737","0.0001","16.2253","0.0001","17.3545","0.0001","90","","90","","90","","2780.26","0.04","99.9","0.4","99.9","0.4","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H49 N2 Si3 Sm -","- C18 H49 N2 Si3 Sm -","- C72 H196 N8 Si12 Sm4 -","4","1","","Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L.","Stabilization of reactive rare earth alkyl complexes through mechanistic studies","Chemical Science","2024","","","","","10.1039/D4SC05983B","","x-ray","1.54184","CuKα","","0.0313","0.0311","","","0.0855","0.0856","","","","","","1.111","","","","has coordinates","296102","2024-11-25","23:13:45",""
"1573280","16.9327","0.0002","9.5169","0.0001","18.2023","0.0002","90","","90","","90","","2933.24","0.06","100","0.1","100","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H49 P2 Sc Si3 -","- C18 H49 P2 Sc Si3 -","- C72 H196 P8 Sc4 Si12 -","4","1","","Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L.","Stabilization of reactive rare earth alkyl complexes through mechanistic studies","Chemical Science","2024","","","","","10.1039/D4SC05983B","","x-ray","1.54184","CuKα","","0.0604","0.0598","","","0.1431","0.1435","","","","","","1.08","","","","has coordinates","296102","2024-11-25","23:13:45",""
"1573281","11.1358","0.0002","18.3119","0.0003","13.4974","0.0002","90","","92.304","0.002","90","","2750.13","0.08","99.99","0.11","99.99","0.11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H47 O3 Si3 Y -","- C18 H47 O3 Si3 Y -","- C72 H188 O12 Si12 Y4 -","4","1","","Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L.","Stabilization of reactive rare earth alkyl complexes through mechanistic studies","Chemical Science","2024","","","","","10.1039/D4SC05983B","","x-ray","0.71073","MoKα","","0.0389","0.0302","","","0.0531","0.0547","","","","","","1.099","","","","has coordinates","296102","2024-11-25","23:13:45",""
"1573282","10.4969","0.0001","18.0432","0.0001","18.0533","0.0001","90","","90","","90","","3419.25","0.04","99.98","0.13","99.98","0.13","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H57 Lu O P2 Si3 -","- C22 H57 Lu O P2 Si3 -","- C88 H228 Lu4 O4 P8 Si12 -","4","1","","Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L.","Stabilization of reactive rare earth alkyl complexes through mechanistic studies","Chemical Science","2024","","","","","10.1039/D4SC05983B","","x-ray","1.54184","CuKα","","0.0305","0.0299","","","0.082","0.0825","","","","","","1.063","","","","has coordinates,has disorder","296102","2024-11-25","23:13:45",""
"1573286","8.9321","0.0004","25.8402","0.0011","16.2519","0.0007","90","","95.622","0.002","90","","3733","0.3","253","2","253","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H28 Cl4 P2 Pt -","- C35 H28 Cl4 P2 Pt -","- C140 H112 Cl16 P8 Pt4 -","4","1","","Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.","Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization","Chemical Science","2024","","","","","10.1039/D4SC05396F","","","0.71073","MoKα","","0.0563","0.0443","","","0.1265","0.1315","","","","","","1.118","","","","has coordinates,has disorder","296122","2024-11-26","23:10:17",""
"1573287","8.7241","0.0004","18.1674","0.0009","24.8336","0.0012","90","","90.885","0.002","90","","3935.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H42 Cl2 O2 P2 -","- C43 H42 Cl2 O2 P2 -","- C172 H168 Cl8 O8 P8 -","4","1","","Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.","Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization","Chemical Science","2024","","","","","10.1039/D4SC05396F","","","0.71073","MoKα","","0.0592","0.0463","","","0.122","0.1316","","","","","","1.037","","","","has coordinates,has disorder","296122","2024-11-26","23:10:20",""
"1573288","10.2044","0.0005","19.1296","0.0008","24.2065","0.0012","90","","90.207","0.003","90","","4725.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H28 F24 O2 P2 -","- C47 H28 F24 O2 P2 -","- C188 H112 F96 O8 P8 -","4","1","","Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.","Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization","Chemical Science","2024","","","","","10.1039/D4SC05396F","","","0.71073","MoKα","","0.0802","0.063","","","0.1679","0.1821","","","","","","1.018","","","","has coordinates,has disorder","296122","2024-11-26","23:10:21",""
"1573289","13.4013","0.0013","23.743","0.002","14.4223","0.0013","90","","99.623","0.004","90","","4524.4","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H18 Cl2 F24 P2 Pt -","- C42 H18 Cl2 F24 P2 Pt -","- C168 H72 Cl8 F96 P8 Pt4 -","4","1","","Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.","Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization","Chemical Science","2024","","","","","10.1039/D4SC05396F","","","0.71073","MoKα","","0.048","0.0338","","","0.0691","0.074","","","","","","1.019","","","","has coordinates,has disorder","296122","2024-11-26","23:10:22",""
"1573290","9.1022","0.0006","9.6658","0.0007","20.7479","0.0013","91.7747","0.0018","92.4701","0.0018","102.405","0.002","1779.6","0.2","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C42 H40 P2 -","- C42 H40 P2 -","- C84 H80 P4 -","2","1","","Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.","Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization","Chemical Science","2024","","","","","10.1039/D4SC05396F","","","0.71073","MoKα","","0.0788","0.0569","","0.1878","0.1728","0.1878","","","","","","1.0066","","","","has coordinates","296122","2024-11-26","23:10:22",""
"1573291","16.5978","0.0013","19.5096","0.0013","18.9329","0.0014","90","","90","","90","","6130.8","0.8","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C42 H42 Cl2 P2 Pt -","- C42 H42 Cl2 P2 Pt -","- C168 H168 Cl8 P8 Pt4 -","4","0.5","","Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.","Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization","Chemical Science","2024","","","","","10.1039/D4SC05396F","","","0.71073","MoKα","","0.0543","0.029","","","0.0698","0.0775","","","","","","1.08","","","","has coordinates","296122","2024-11-26","23:10:22",""
"1573292","7.5197","0.0006","17.6155","0.0013","17.7459","0.0013","90","","95.268","0.002","90","","2340.8","0.3","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 Cl2 P2 Pt -","- C22 H34 Cl2 P2 Pt -","- C88 H136 Cl8 P8 Pt4 -","4","1","","Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.","Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization","Chemical Science","2024","","","","","10.1039/D4SC05396F","","","0.71073","MoKα","","0.0688","0.0498","","0.1448","0.1268","0.1448","","","","","","1.0824","","","","has coordinates","296122","2024-11-26","23:10:22",""
"1573293","19.6329","0.0007","14.5514","0.0005","18.4286","0.0007","90","","113.829","0.001","90","","4816","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Cl2 P2 Pt -","- C22 H32 Cl2 P2 Pt -","- C176 H256 Cl16 P16 Pt8 -","8","2","","Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.","Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization","Chemical Science","2024","","","","","10.1039/D4SC05396F","","","0.71073","MoKα","","0.0417","0.0236","","0.0615","0.0501","0.0608","","","","","","1.0081","","","","has coordinates","296122","2024-11-26","23:10:22",""
"1573294","10.297","0.003","21.652","0.005","19.471","0.005","90","","104.527","0.01","90","","4202.3","1.9","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H24 Cl4 F12 P2 Pt -","- C39 H24 Cl4 F12 P2 Pt -","- C156 H96 Cl16 F48 P8 Pt4 -","4","1","","Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.","Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization","Chemical Science","2024","","","","","10.1039/D4SC05396F","","","0.71073","MoKα","","0.0952","0.0588","","0.1642","0.1374","0.1635","","","","","","1.0016","","","","has coordinates,has disorder","296122","2024-11-26","23:10:22",""
"1573295","18.2822","0.0014","17.4936","0.0012","15.4479","0.0018","90","","124.678","0.003","90","","4062.9","0.6","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H16 F24 P2 -","- C42 H16 F24 P2 -","- C168 H64 F96 P8 -","4","0.5","","Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.","Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization","Chemical Science","2024","","","","","10.1039/D4SC05396F","","","0.71073","MoKα","","0.0754","0.0634","","0.1765","0.1648","0.1764","","","","","","0.994","","","","has coordinates,has disorder","296122","2024-11-26","23:10:22",""
"1573296","12.3782","0.001","21.2832","0.0016","17.4143","0.0015","90","","90.947","0.004","90","","4587.1","0.6","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H16 Cl2 F24 P2 Pt -","- C42 H16 Cl2 F24 P2 Pt -","- C168 H64 Cl8 F96 P8 Pt4 -","4","1","","Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.","Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization","Chemical Science","2024","","","","","10.1039/D4SC05396F","","","0.71073","MoKα","","0.0339","0.0288","","0.0723","0.0694","0.0723","","","","","","1.0357","","","","has coordinates,has disorder","296122","2024-11-26","23:10:22",""
"1573297","22.317","0.003","21.114","0.002","21.952","0.003","90","","90","","90","","10344","2","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C92 H96 Cl20 P4 Pt2 -","- C92 H96 Cl20 P4 Pt2 -","- C368 H384 Cl80 P16 Pt8 -","4","0.5","","Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.","Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization","Chemical Science","2024","","","","","10.1039/D4SC05396F","","","0.71073","MoKα","","0.0856","0.0598","","","0.1282","0.1403","","","","","","1.176","","","","has coordinates,has disorder","296122","2024-11-26","23:10:23",""
"1573298","10.0737","0.0002","16.5107","0.0004","12.7562","0.0003","90","","104.639","0.001","90","","2052.79","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Eu N6 O11 -","- C15 H16 Eu N6 O11 -","- C60 H64 Eu4 N24 O44 -","4","1","","Sorace, Lorenzo; Dmitriev, Alexey A.; Perfetti, Mauro; Vostrikova, Kira E.","Slow magnetic relaxation and strong magnetic coupling in the nitroxyl radical complexes of Lanthanide(III) with diamagnetic ground state (Ln = Lu, Eu)","Chemical Science","2024","","","","","10.1039/D4SC05035E","","","0.71073","MoKα","","0.1226","0.055","","","0.0902","0.1167","","","","","","1.029","","","","has coordinates","296123","2024-11-26","23:11:06",""
"1573299","9.9511","0.0002","16.4632","0.0004","12.8156","0.0003","90","","104.088","0.001","90","","2036.39","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Lu N6 O11 -","- C15 H16 Lu N6 O11 -","- C60 H64 Lu4 N24 O44 -","4","1","","Sorace, Lorenzo; Dmitriev, Alexey A.; Perfetti, Mauro; Vostrikova, Kira E.","Slow magnetic relaxation and strong magnetic coupling in the nitroxyl radical complexes of Lanthanide(III) with diamagnetic ground state (Ln = Lu, Eu)","Chemical Science","2024","","","","","10.1039/D4SC05035E","","","0.71073","MoKα","","0.0159","0.0149","","","0.0312","0.0316","","","","","","1.058","","","","has coordinates","296123","2024-11-26","23:11:06",""
"1573300","9.9067","0.0002","11.5214","0.0003","11.6032","0.0003","93.702","0.002","109.012","0.002","103.102","0.002","1205.68","0.05","149.99","0.1","149.99","0.1","","","","","","","","4","P 1","P 1","1","","","","- C30 H25 N O3 -","- C30 H25 N O3 -","- C60 H50 N2 O6 -","2","2","","He, Yicheng; Yan, Biwei; Ma, Cheng; Ni, Shaofei; Guo, Wusheng","Ni-Catalyzed Asymmetric Decarboxylation for the Construction of Carbocycles with Contiguous Quaternary Carbon Stereocenters","Chemical Science","2024","","","","","10.1039/D4SC06849A","","x-ray","1.54184","CuKα","","0.0403","0.0392","","","0.1031","0.1045","","","","","","1.04","","","","has coordinates,has disorder","296125","2024-11-26","23:11:36",""
"1573301","7.51317","0.00015","15.2775","0.0003","21.463","0.0004","90","","90","","90","","2463.58","0.08","149.99","0.1","149.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 N O3 -","- C30 H27 N O3 -","- C120 H108 N4 O12 -","4","1","","He, Yicheng; Yan, Biwei; Ma, Cheng; Ni, Shaofei; Guo, Wusheng","Ni-Catalyzed Asymmetric Decarboxylation for the Construction of Carbocycles with Contiguous Quaternary Carbon Stereocenters","Chemical Science","2024","","","","","10.1039/D4SC06849A","","x-ray","1.54184","CuKα","","0.0367","0.0351","","","0.0884","0.0903","","","","","","1.05","","","","has coordinates","296125","2024-11-26","23:11:36",""
"1573302","6.22984","0.00013","15.4298","0.0004","22.0803","0.0005","90","","90","","90","","2122.47","0.09","170","0.1","170","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H21 N O2 -","- C28 H21 N O2 -","- C112 H84 N4 O8 -","4","1","","He, Yicheng; Yan, Biwei; Ma, Cheng; Ni, Shaofei; Guo, Wusheng","Ni-Catalyzed Asymmetric Decarboxylation for the Construction of Carbocycles with Contiguous Quaternary Carbon Stereocenters","Chemical Science","2024","","","","","10.1039/D4SC06849A","","x-ray","1.54184","CuKα","","0.0357","0.0337","","","0.0863","0.0879","","","","","","1.04","","","","has coordinates","296125","2024-11-26","23:11:36",""
"1573303","10.3863","0.0002","13.163","0.0002","14.3802","0.0004","90.6959","0.0018","101.511","0.002","104.786","0.0018","1858.52","0.07","173","2","173.15","","","","","","","","","7","P -1","-P 1","2","","Cu(TFSI)2(bip)2","","- C22 H24 Cu F12 N10 O8 S4 -","- C22 H24 Cu F12 N10 O8 S4 -","- C44 H48 Cu2 F24 N20 O16 S8 -","2","1","","Nishiguchi, Taichi; Ohara, Yuki; Kadota, Kentaro; Zheng, Xin; Noro, Shin-ichiro; Horike, Satoshi","Mechanically-induced Polyamorphism in One-dimensional Coordination Polymer","Chemical Science","2024","","","","","10.1039/D4SC07058E","","","1.54187","CuKα","","0.0595","0.0577","","","0.1617","0.1636","","","","","","1.055","","","","has coordinates","296126","2024-11-26","23:11:54",""
"1573304","5.92744","0.00009","13.7395","0.0003","20.7053","0.0004","79.4971","0.0016","83.0769","0.0013","85.9397","0.0013","1643.84","0.05","139.99","0.1","139.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C36 H39 Au3 N6 -","- C36 H39 Au3 N6 -","- C72 H78 Au6 N12 -","2","1","","Solea, Atena B.; Dermutas, Davide; Fadaei-Tirani, Farzaneh; Leanza, Luigi; Delle Piane, Massimo; Pavan, Giovanni M.; Severin, Kay","Nano onions based on an amphiphilic Au<sub>3</sub>(pyrazolate)<sub>3</sub> complex.","Nanoscale","2024","","","","","10.1039/d4nr03901g","","x-ray","1.54184","CuKα","","0.0372","0.0306","","","0.0789","0.0814","","","","","","1.083","","","","has coordinates","296129","2024-11-27","01:11:49",""
"1573305","7.7519","0.001","17.548","0.002","26.884","0.004","90","","90","","90","","3657","0.8","296","2","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H22 F N3 O3 S -","- C17 H22 F N3 O3 S -","- C136 H176 F8 N24 O24 S8 -","8","1","","Potla, Krishna Murthy; Asiri, Yahya I.; Rani, Nannapaneni Usha; Osório, Francisco A P; Valverde, Clodoaldo; Raja, Murugesan; Armaković, Sanja J; Armaković, Stevan","Investigation of the linear and nonlinear optical properties in the crystalline phase of a pyrimidine derivative-a potential nonlinear optical material: analysis of its structure, reactivity, and docking studies.","RSC advances","2024","14","51","37709","37724","10.1039/d4ra05681g","","","0.71073","MoKα","","0.1112","0.0536","","","0.133","0.1673","","","","","","1.021","","","","has coordinates","296719","2024-12-06","20:55:02",""
"1573306","21.6586","0.0011","12.8689","0.0005","9.8744","0.0003","90","","90","","90","","2752.22","0.19","169.99","0.12","169.99","0.12","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C36 H31 N2 O0.5 -","- C36 H31 N2 O0.5 -","- C144 H124 N8 O2 -","4","1","","Wei, Xuyang; Li, Dong; Liu, Xitong; Zhang, Weifeng; Li, Hao; Yang, Shuai; Luo, Hao; Yu, Gui","Magnetoresistance Effect of Pyridine-Capped s-Indacene-Based Conjugated Radical","Materials Horizons","2024","","","","","10.1039/D4MH01114G","","x-ray","1.54184","CuKα","","0.0787","0.0547","","","0.1315","0.152","","","","","","1.028","","","","has coordinates","296133","2024-11-27","02:42:56",""
"1573307","15.9161","0.0004","17.8282","0.0004","18.1544","0.0005","90","","90","","90","","5151.4","0.2","170","0.1","170","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C36 H30 N2 -","- C36 H30 N2 -","- C288 H240 N16 -","8","1","","Wei, Xuyang; Li, Dong; Liu, Xitong; Zhang, Weifeng; Li, Hao; Yang, Shuai; Luo, Hao; Yu, Gui","Magnetoresistance Effect of Pyridine-Capped s-Indacene-Based Conjugated Radical","Materials Horizons","2024","","","","","10.1039/D4MH01114G","","x-ray","0.71073","MoKα","","0.0566","0.0456","","","0.1235","0.1298","","","","","","1.046","","","","has coordinates","296133","2024-11-27","02:43:08",""
"1573308","10.6687","0.0007","15.5241","0.001","22.9366","0.0015","90","","92.854","0.001","90","","3794.1","0.4","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H55 Cl N2 O2 P2 Ru -","- C39 H55 Cl N2 O2 P2 Ru -","- C156 H220 Cl4 N8 O8 P8 Ru4 -","4","1","","Piers, Warren; Donnelly, Laurie; Gelfand, Benjamin Sidney","Rapid and selective formic acid dehydrogenation catalysis by molecular ruthenium hydrides supported by rigid PCcarbeneP pincer ligands†","Catalysis Science & Technology","2024","","","","","10.1039/D4CY01346H","","x-ray","0.71073","MoKα","","0.0542","0.0444","","","0.1195","0.1257","","","","","","1.062","","","","has coordinates","296134","2024-11-27","22:35:59",""
"1573316","16.772","0.0004","12.6914","0.0002","18.7308","0.0004","90","","90","","90","","3987.04","0.14","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H22 Co2 N2 O8 -","- C20 H22 Co2 N2 O8 -","- C160 H176 Co16 N16 O64 -","8","1","","Gong, Yi; Sharp, Simon J.; Elsegood, Mark R. J.; Redshaw, Carl","Metal-organic frameworks of <i>p</i>-hydroxybenzoic acid: synthesis, structure and ring opening polymerization capability.","RSC advances","2024","14","51","37895","37901","10.1039/d4ra06361a","","","0.71073","MoKα","","0.0816","0.0706","","","0.172","0.1792","","","","","","1.099","","","","has coordinates,has disorder","296720","2024-12-06","20:55:13",""
"1573317","16.6962","0.0005","13.0537","0.0004","19.1273","0.0009","90","","90","","90","","4168.7","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H22 Mn2 N2 O8 -","- C20 H22 Mn2 N2 O8 -","- C160 H176 Mn16 N16 O64 -","8","1","","Gong, Yi; Sharp, Simon J.; Elsegood, Mark R. J.; Redshaw, Carl","Metal-organic frameworks of <i>p</i>-hydroxybenzoic acid: synthesis, structure and ring opening polymerization capability.","RSC advances","2024","14","51","37895","37901","10.1039/d4ra06361a","","","1.54178","CuKα","","0.0785","0.0581","","","0.1567","0.1718","","","","","","1.043","","","","has coordinates,has disorder","296720","2024-12-06","20:55:13",""
"1573320","16.1298","0.0003","12.3736","0.0003","7.46745","0.00016","90","","100.19","0.002","90","","1466.87","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(1-Chloroethyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolinium chloride","","- C13 H19 Cl2 N O2 -","- C13 H19 Cl2 N O2 -","- C52 H76 Cl8 N4 O8 -","4","1","","Urunbaeva, Ziroat E.; Turgunov, Kambarali K.; Saidov, Abdusalom Sh; Vinogradova, Valentina I.","","","2024","","","","","10.1107/S2056989024011277","","x-ray","1.54184","CuKα","","0.0538","0.0502","","","0.1498","0.1551","","","","","","1.09","","","","has coordinates","296157","2024-11-29","02:48:57",""
"1573321","7.0823","0.0003","11.7865","0.0006","15.8999","0.0008","68.34","0.001","81.516","0.002","76.435","0.002","1196.39","0.1","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","5-Methyl-1<i>H</i>-pyrazol-3-yl 4-nitrobenzenesulfonate","","- C10 H9 N3 O5 S -","- C10 H9 N3 O5 S -","- C40 H36 N12 O20 S4 -","4","2","NX2016","Vinaya,; Yakuth, Syida A.; Mohan Kumar, Thaluru M.; Bhaskar, Besagarahally L.; Divakara, Thayamma R.; Yathirajan, Hemmige S.; Basavaraju, Yeriyur B.; Parkin, Sean","","","2024","","","","","10.1107/S205698902401140X","","","0.71073","MoKα","","0.0316","0.0269","","","0.064","0.0666","","","","","","1.042","","","","has coordinates","296158","2024-11-29","02:49:15",""
"1573322","13.2831","0.0003","13.2831","0.0003","6.6894","0.0007","90","","90","","90","","1180.28","0.13","300","","300","","","","","","","","","6","I -4","I -4","82","","Tetrapyridinesilver(I) hexafluorophosphate","","- C20 H20 Ag F6 N4 P -","- C20 H20 Ag F6 N4 P -","- C40 H40 Ag2 F12 N8 P2 -","2","0.25","OO2005","McNelly, Alice G.; Christensen, Kirsten E.; Thompson, Amber L.","","","2024","","","","","10.1107/S2056989024006972","","","1.54184","CuKα","","0.0305","0.0282","","0.0652","0.0627","0.0652","","","","","","0.8548","","","","has coordinates","296159","2024-11-29","02:49:42",""
"1573323","13.4408","0.0002","13.4408","0.0002","6.1851","0.0001","90","","90","","90","","1117.37","0.03","100","","100","","","","","","","","","6","I -4","I -4","82","","Tetrapyridinesilver(I) hexafluorophosphate","","- C20 H20 Ag F6 N4 P -","- C20 H20 Ag F6 N4 P -","- C40 H40 Ag2 F12 N8 P2 -","2","0.25","OO2005","McNelly, Alice G.; Christensen, Kirsten E.; Thompson, Amber L.","","","2024","","","","","10.1107/S2056989024006972","","","1.54184","CuKα","","0.0211","0.021","","0.0276","0.0276","0.0276","","","","","","1.0081","","","","has coordinates","296159","2024-11-29","02:49:43",""
"1573324","13.3825","0.0001","13.3825","0.0001","6.8847","0.0001","90","","90","","90","","1232.99","0.02","300","","300","","","","","","","","","6","I -4","I -4","82","","Tetrapyridinesilver(I) hexafluoroantimonate","","- C20 H20 Ag F6 N4 Sb -","- C20 H20 Ag F6 N4 Sb -","- C40 H40 Ag2 F12 N8 Sb2 -","2","0.25","OO2005","McNelly, Alice G.; Christensen, Kirsten E.; Thompson, Amber L.","","","2024","","","","","10.1107/S2056989024006972","","","1.54184","CuKα","","0.0478","0.0477","","0.1316","0.1315","0.1316","","","","","","1.0047","","","","has coordinates","296159","2024-11-29","02:49:43",""
"1573325","13.3461","0.0001","13.3461","0.0001","6.5798","0.0001","90","","90","","90","","1171.98","0.02","100","","100","","","","","","","","","6","I -4","I -4","82","","Tetrapyridinesilver(I) hexafluoroantimonate","","- C20 H20 Ag F6 N4 Sb -","- C20 H20 Ag F6 N4 Sb -","- C40 H40 Ag2 F12 N8 Sb2 -","2","0.25","OO2005","McNelly, Alice G.; Christensen, Kirsten E.; Thompson, Amber L.","","","2024","","","","","10.1107/S2056989024006972","","","1.54184","CuKα","","0.0169","0.0168","","0.0445","0.0444","0.0445","","","","","","1.0172","","","","has coordinates","296159","2024-11-29","02:49:43",""
"1573326","11.4986","0.0004","15.1454","0.0004","18.5733","0.0005","90","","90","","90","","3234.56","0.17","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>,<i>R</i>)-Bis(acetonitrile-κ<i>N</i>)[<i>N</i>,<i>N</i>'-dimethyl-<i>N</i>,<i>N</i>'-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine-κ^4^<i>N</i>]iron(II) bis(hexafluoroantimonate)","","- C24 H34 F12 Fe N6 Sb2 -","- C24 H34 F12 Fe N6 Sb2 -","- C96 H136 F48 Fe4 N24 Sb8 -","4","1","HB8113","Bibik, Yurii S.; Yulakh, Iryna M.; Shishkina, Svitlana V.; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Raspertova, Ilona V.; Lampeka, Rostyslav D.","","","2024","","","","","10.1107/S2056989024011307","","","0.71073","MoKα","","0.1051","0.0639","","","0.0976","0.1095","","","","","","1.047","","","","has coordinates","296160","2024-11-29","02:50:14",""
"1573327","11.4949","0.0005","15.1609","0.0007","18.5616","0.0009","90","","90","","90","","3234.8","0.3","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>,<i>S</i>)-Bis(acetonitrile-κ<i>N</i>)[<i>N</i>,<i>N</i>'-dimethyl-<i>N</i>,<i>N</i>'-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine-κ^4^<i>N</i>]iron(II) bis(hexafluoroantimonate)","","- C24 H34 F12 Fe N6 Sb2 -","- C24 H34 F12 Fe N6 Sb2 -","- C96 H136 F48 Fe4 N24 Sb8 -","4","1","HB8113","Bibik, Yurii S.; Yulakh, Iryna M.; Shishkina, Svitlana V.; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Raspertova, Ilona V.; Lampeka, Rostyslav D.","","","2024","","","","","10.1107/S2056989024011307","","","0.71073","MoKα","","0.0933","0.0578","","","0.1073","0.1199","","","","","","1.015","","","","has coordinates","296160","2024-11-29","02:50:16",""
"1573366","6.4352","0.0004","12.2697","0.0011","15.5936","0.001","90","","90.29","0.003","90","","1231.22","0.16","100","2","100.01","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C11 H12 Br N3 O3 -","- C11 H12 Br N3 O3 -","- C44 H48 Br4 N12 O12 -","4","1","TK4113","Ibrahim, Halliru; Zamisa, Sizwe J.; Bala, Muhammad D.; Ntola, Pinkie; Friedrich, Holger B.","3-(2-Hydroxyethyl)-1-(4-nitrophenyl)-1H-imidazol-3-ium bromide","IUCrData","2024","9","11","","","10.1107/S2414314624011386","","","0.71073","MoKα","","0.0182","0.017","","","0.0366","0.0369","","","","","","1.028","","","","has coordinates","296164","2024-11-29","03:05:55",""
"1573367","7.7366","0.0003","29.5787","0.001","7.3852","0.0003","90","","91.962","0.002","90","","1689.03","0.11","100","1","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4'-(2-Methoxyphenyl)-2,2':6',2''-terpyridine","","- C22 H17 N3 O -","- C22 H17 N3 O -","- C88 H68 N12 O4 -","4","1","HB4497","Njogu, Eric M.; Juma, David O.; Zamisa, Sizwe J.; Omondi, Bernard; Nyamori, Vincent O.","4′-(2-Methoxyphenyl)-2,2′:6′,2′′-terpyridine","IUCrData","2024","9","11","","","10.1107/S241431462401143X","","x-ray","0.71073","MoKα","","0.047","0.041","","","0.1141","0.1189","","","","","","1.028","","","","has coordinates","296165","2024-11-29","03:06:16",""
"1573368","23.5423","0.001","13.8181","0.0006","17.4303","0.0008","90","","96.371","0.0011","90","","5635.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H82 Ga2 N4 O P2 -","- C59 H82 Ga2 N4 O P2 -","- C236 H328 Ga8 N16 O4 P8 -","4","1","","Sharma, Mahendra K.; Wölper, Christoph; Siera, Hannah; Haberhauer, Gebhard; Schulz, Stephan","Synthesis and reactivity of a six-membered heterocyclic 1,3-diphosphaallene","Chemical Science","2024","","","","","10.1039/D4SC06371F","","","1.54178","CuKα","","0.0239","0.0238","","","0.0627","0.0628","","","","","","1.052","","","","has coordinates,has disorder","296169","2024-11-29","23:09:13",""
"1573369","26.3977","0.0009","13.4903","0.0005","40.1349","0.0013","90","","91.7723","0.0015","90","","14285.7","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H108 Ga2 N6 O P2 -","- C72 H108 Ga2 N6 O P2 -","- C576 H864 Ga16 N48 O8 P16 -","8","1","","Sharma, Mahendra K.; Wölper, Christoph; Siera, Hannah; Haberhauer, Gebhard; Schulz, Stephan","Synthesis and reactivity of a six-membered heterocyclic 1,3-diphosphaallene","Chemical Science","2024","","","","","10.1039/D4SC06371F","","","1.54178","CuKα","","0.0568","0.0479","","","0.1128","0.1188","","","","","","1.079","","","","has coordinates,has disorder","296169","2024-11-29","23:09:14",""
"1573370","15.1894","0.0006","13.1269","0.0005","34.6139","0.0013","90","","96.719","0.002","90","","6854.3","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H106 Ga2 N4 O P2 Si -","- C69 H106 Ga2 N4 O P2 Si -","- C276 H424 Ga8 N16 O4 P8 Si4 -","4","1","","Sharma, Mahendra K.; Wölper, Christoph; Siera, Hannah; Haberhauer, Gebhard; Schulz, Stephan","Synthesis and reactivity of a six-membered heterocyclic 1,3-diphosphaallene","Chemical Science","2024","","","","","10.1039/D4SC06371F","","","1.54178","CuKα","","0.0674","0.058","","","0.1255","0.1307","","","","","","1.187","","","","has coordinates,has disorder","296169","2024-11-29","23:09:14",""
"1573371","20.731","0.0004","18.24","0.0004","39.5206","0.0007","90","","95.9543","0.0013","90","","14863.4","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C79 H111 Ga2 N6 O P2 -","- C79 H111 Ga2 N6 O P2 -","- C632 H888 Ga16 N48 O8 P16 -","8","1","","Sharma, Mahendra K.; Wölper, Christoph; Siera, Hannah; Haberhauer, Gebhard; Schulz, Stephan","Synthesis and reactivity of a six-membered heterocyclic 1,3-diphosphaallene","Chemical Science","2024","","","","","10.1039/D4SC06371F","","","1.54178","CuKα","","0.0352","0.0351","","","0.0894","0.0895","","","","","","1.109","","","","has coordinates","296169","2024-11-29","23:09:14",""
"1573372","9.4004","0.0005","10.111","0.0007","13.6049","0.0009","97.488","0.002","104.094","0.002","95.42","0.002","1232.74","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H27 N3 O2 S -","- C28 H27 N3 O2 S -","- C56 H54 N6 O4 S2 -","2","1","","Saha, Shib Nath; Ballav, Nityananda; Ghosh, Suman; Baidya, Mahiuddin","Regioselective intermolecular carboamination of allylamines via nucleopalladation: empowering three-component synthesis of vicinal diamines","Chemical Science","2024","","","","","10.1039/D4SC07630C","","","0.71073","MoKα","","0.0744","0.0493","","","0.1052","0.1165","","","","","","1.078","","","","has coordinates","296170","2024-11-29","23:09:49",""
"1573373","9.9446","0.0003","20.0301","0.0007","18.2275","0.0006","90","","95.7521","0.0016","90","","3612.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 N6 O2 -","- C42 H42 N6 O2 -","- C168 H168 N24 O8 -","4","1","","Saha, Shib Nath; Ballav, Nityananda; Ghosh, Suman; Baidya, Mahiuddin","Regioselective intermolecular carboamination of allylamines via nucleopalladation: empowering three-component synthesis of vicinal diamines","Chemical Science","2024","","","","","10.1039/D4SC07630C","","","0.71073","MoKα","","0.0932","0.0481","","","0.1105","0.1388","","","","","","1.003","","","","has coordinates","296170","2024-11-29","23:09:50",""
"1573374","9.1472","0.0004","9.2824","0.0004","9.3217","0.0004","97.608","0.001","94.602","0.001","101.377","0.001","764.48","0.06","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H23 B O4 -","- C15 H23 B O4 -","- C30 H46 B2 O8 -","2","1","","Vyas, Het; Gangani, Ashvin; Mini, Aiswarya; Pathil, Melissa; Ruth, Austin; Sharma, Abhishek","Strain-release enables access to carbonyl conjugated allylic diborons and alkenyl boronates having multiple contiguous stereocenters in a one-pot process","Chemical Science","2024","","","","","10.1039/D4SC06514J","","","1.54178","CuKα","","0.0704","0.0698","","","0.1839","0.1843","","","","","","1.089","","","","has coordinates","296180","2024-12-02","23:08:29",""
"1573375","17.4121","0.0008","10.4286","0.0005","13.1111","0.0006","90","","109.67","0.002","90","","2241.84","0.18","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 B N O7 -","- C22 H28 B N O7 -","- C88 H112 B4 N4 O28 -","4","1","","Vyas, Het; Gangani, Ashvin; Mini, Aiswarya; Pathil, Melissa; Ruth, Austin; Sharma, Abhishek","Strain-release enables access to carbonyl conjugated allylic diborons and alkenyl boronates having multiple contiguous stereocenters in a one-pot process","Chemical Science","2024","","","","","10.1039/D4SC06514J","","","1.54178","CuKα","","0.0364","0.0346","","","0.0897","0.0907","","","","","","1.034","","","","has coordinates","296180","2024-12-02","23:08:30",""
"1573376","10.0705","0.0007","18.6804","0.0012","5.758","0.0004","90","","90","","90","","1083.2","0.13","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H7 F6 N5 -","- C9 H7 F6 N5 -","- C36 H28 F24 N20 -","4","1","","Michelini, Lorenzo; Slaney, Tanya; Virk, Seerat; Rafic, Estefanía; Qie, Li; Corejova, Klara; Lepage, Mathieu L.; Musolino, Stefania F.; Oliver, Allen Grayson; Etchenique, Roberto; Hong, W. David; DiLabio, Gino; Wulff, Jeremy E.","A diazirine’s central carbon is sp2-hybridized, facilitating conjugation to dye molecules","Chemical Science","2024","","","","","10.1039/D4SC06427E","","","1.54184","CuKα","","0.0228","0.0227","","","0.0586","0.0586","","","","","","1.082","","","","has coordinates","296181","2024-12-02","23:08:46",""
"1573379","16.3937","0.0005","11.8607","0.0003","16.2836","0.0004","90","","108.595","0.003","90","","3000.91","0.15","200","0.1","200","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Catena-poly[mu-(1,2-bis(4-pyridyl)ethane-kN:kN')diiodidozinc(II)","","- C12 H12 I2 N2 Zn -","- C12 H12 I2 N2 Zn -","- C96 H96 I16 N16 Zn8 -","8","1","","García-Hernán, Andrea; Aguilar-Galindo, Fernando; Castillo, Oscar; Amo-Ochoa, Pilar","1D Zn(ii)/2D Cu(i) halogen pyridyl coordination polymers. Band gap engineering by DFT for predicting more efficient photocatalysts in water treatment","Catalysis Science & Technology","2024","14","22","6573","6583","10.1039/D4CY00969J","","x-ray","1.54184","CuKα","","0.0345","0.0323","","","0.087","0.0887","","","","","","1.04","","","","has coordinates","296202","2024-12-03","23:35:54",""
"1573380","5.8775","0.0002","8.0332","0.0002","15.8128","0.0004","102.779","0.002","91.996","0.002","91.958","0.002","727","0.04","298","","298","","","","","","","","","5","P -1","-P 1","2","","Catena-poly[mu-(1,2-bis(4-pyridyl)ethylene-kN:kN')diiodidozinc(II)","","- C12 H10 I2 N2 Zn -","- C12 H10 I2 N2 Zn -","- C24 H20 I4 N4 Zn2 -","2","1","","García-Hernán, Andrea; Aguilar-Galindo, Fernando; Castillo, Oscar; Amo-Ochoa, Pilar","1D Zn(ii)/2D Cu(i) halogen pyridyl coordination polymers. Band gap engineering by DFT for predicting more efficient photocatalysts in water treatment","Catalysis Science & Technology","2024","14","22","6573","6583","10.1039/D4CY00969J","","x-ray","0.71073","MoKα","","0.0331","0.0271","","","0.0614","0.0641","","","","","","1.063","","","","has coordinates","296202","2024-12-03","23:35:55",""
"1573386","9.8411","0.0004","12.3319","0.0005","21.0912","0.001","90","","94.254","0.004","90","","2552.56","0.19","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","<i>rac</i>-2-{3-[1-(Acetyloxy)ethyl]-2,2-dimethylcyclobutyl}acetic acid","","- C12 H20 O4 -","- C12 H20 O4 -","- C96 H160 O32 -","8","1","BT4161","Schollmeyer, Dieter; Jirsch, Paul; Detert, Heiner","rac-2-{3-[1-(Acetyloxy)ethyl]-2,2-dimethylcyclobutyl}acetic acid","IUCrData","2024","9","12","","","10.1107/S2414314624011441","","","0.71073","MoKα","","0.048","0.0403","","","0.1029","0.1095","","","","","","1.031","","","","has coordinates","296214","2024-12-04","02:57:10",""
"1573387","8.8768","0.0003","18.3002","0.0007","10.5053","0.0003","90","","95.942","0.003","90","","1697.39","0.1","233","2","233","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-[(2-Chlorophenyl)diphenylmethyl]-1<i>H</i>-pyrazole","","- C22 H17 Cl N2 -","- C22 H17 Cl N2 -","- C88 H68 Cl4 N8 -","4","1","HB4496","Koch, Pierre; Schollmeyer, Dieter","1-[(2-Chlorophenyl)diphenylmethyl]-1H-pyrazole","IUCrData","2024","9","12","","","10.1107/S2414314624011520","","","0.71073","MoKα","","0.0627","0.0369","","","0.0805","0.089","","","","","","0.996","","","","has coordinates","296215","2024-12-04","02:57:26",""
"1573396","9.9581","0.0003","9.1704","0.0003","27.6575","0.0007","90","","90","","90","","2525.68","0.13","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C112 H104 N24 O16 -","8","1","","Maessen, Stefan; Lekanne Deprez, Siebe; van den Bersselaar, Bart; Vermeeren, Pascal; Heuts, Johan P. A.; Lutz, Martin; Fonseca Guerra, Célia; Palmans, Anja","Structure-Property Relationships to Direct the Dynamic Properties of Acylsemicarbazide-Based Materials","Polymer Chemistry","2024","","","","","10.1039/D4PY01296H","","","0.71073","MoKα","","0.0683","0.0453","","","0.1023","0.113","","","","","","1.062","","","","has coordinates","296229","2024-12-05","01:56:05",""
"1573397","9.7633","0.0003","27.5437","0.0007","10.4855","0.0003","90","","98.644","0.002","90","","2787.7","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N3 O3 -","- C15 H13 N3 O3 -","- C120 H104 N24 O24 -","8","2","","Maessen, Stefan; Lekanne Deprez, Siebe; van den Bersselaar, Bart; Vermeeren, Pascal; Heuts, Johan P. A.; Lutz, Martin; Fonseca Guerra, Célia; Palmans, Anja","Structure-Property Relationships to Direct the Dynamic Properties of Acylsemicarbazide-Based Materials","Polymer Chemistry","2024","","","","","10.1039/D4PY01296H","","","0.71073","MoKα","","0.0503","0.0402","","","0.1033","0.1084","","","","","","1.06","","","","has coordinates","296229","2024-12-05","01:56:15",""
"1573398","10.6143","0.0004","13.2575","0.0005","19.9774","0.0007","90","","90","","90","","2811.2","0.18","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H28 N2 O6 -","- C34 H28 N2 O6 -","- C136 H112 N8 O24 -","4","0.5","","Zhou, Huan; Zhang, Yuxuan; Zheng, Zhiye; Wan, Jun-Hua; Zhang, Hui; Lin, Kunhua; Sessler, Jonathan L.; Wang, Hong-Yu","Internally diketopyrrolopyrrole-bridged bis-anthracene macrocycle: A multifunctional fluorescent platform","Chemical Science","2024","","","","","10.1039/D4SC06067A","","","1.54178","CuKα","","0.0389","0.0377","","","0.1001","0.1008","","","","","","1.181","","","","has coordinates","296235","2024-12-05","23:04:56",""
"1573399","11.1096","0.0007","11.2145","0.0006","15.2337","0.0009","68.402","0.003","79.501","0.004","69.937","0.003","1654.2","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C80 H66 N16 O8 -","- C80 H66 N16 O8 -","- C80 H66 N16 O8 -","1","0.5","","Zhou, Huan; Zhang, Yuxuan; Zheng, Zhiye; Wan, Jun-Hua; Zhang, Hui; Lin, Kunhua; Sessler, Jonathan L.; Wang, Hong-Yu","Internally diketopyrrolopyrrole-bridged bis-anthracene macrocycle: A multifunctional fluorescent platform","Chemical Science","2024","","","","","10.1039/D4SC06067A","","","1.54178","CuKα","","0.0757","0.065","","","0.1861","0.1961","","","","","","1.058","","","","has coordinates","296235","2024-12-05","23:04:57",""
"1573400","14.3247","0.0002","17.1233","0.0002","23.0646","0.0002","96.822","0.001","98.846","0.001","108.196","0.001","5226.07","0.11","100.01","0.15","100.01","0.15","","","","","","","","5","P -1","-P 1","2","","AOF-PyridineLinker","","- C100 H92 Cl3 N16 O18 -","- C100 H93 Cl3 N16 O18 -","- C200 H186 Cl6 N32 O36 -","2","1","","Wang, Shuhe; Sigl, Johannes; Allmendinger, Lars; Maurizot, Victor; Huc, Ivan","Design of an abiotic unimolecular three-helix bundle","Chemical Science","2024","","","","","10.1039/D4SC07336C","","x-ray","1.54184","CuKα","","0.0854","0.0761","","","0.2384","0.2489","","","","","","1.052","","","","has coordinates,has disorder","296237","2024-12-05","23:05:36",""
"1573401","13.1606","0.0001","17.3713","0.0002","24.34","0.0002","95.661","0.001","93.989","0.001","105.354","0.001","5313.14","0.09","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","AOF-isoQuinolineLinker","","- C104.52 H93.44 Cl2 N19 O17.94 -","- C104.576 H93.568 Cl2 N19 O17.952 -","- C209.152 H187.136 Cl4 N38 O35.904 -","2","1","","Wang, Shuhe; Sigl, Johannes; Allmendinger, Lars; Maurizot, Victor; Huc, Ivan","Design of an abiotic unimolecular three-helix bundle","Chemical Science","2024","","","","","10.1039/D4SC07336C","","x-ray","1.54184","CuKα","","0.0864","0.0806","","","0.2309","0.2368","","","","","","1.053","","","","has coordinates,has disorder","296237","2024-12-05","23:05:37",""
"1573402","6.4767","0.0001","15.7755","0.0003","7.425","0.0002","90","","100.19","0.002","90","","746.67","0.03","300.2","0.1","300.2","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H16 F N O2 -","- C17 H16 F N O2 -","- C34 H32 F2 N2 O4 -","2","1","","Tian, Kui; Jin, Zhuan; Liu, Xin-Lian; He, Lin; Liu, Hong-Fu; Yu, Pinke; Chang, Xin; Dong, Xiu-Qin; Wang, Chun-Jiang","Stereodivergent Assembly of δ-Valerolactones with an Azaarene-Containing Quaternary Stereocenter Enabled by Cu/Ru Relay Catalysis","Chemical Science","2024","","","","","10.1039/D4SC05852F","","x-ray","1.54184","CuKα","","0.035","0.0336","","","0.093","0.0945","","","","","","1.068","","","","has coordinates","296238","2024-12-05","23:05:53",""
"1573403","7.8385","0.0006","5.253","0.0004","16.8163","0.0013","90","","103.167","0.002","90","","674.22","0.09","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H19 N3 -","- C16 H19 N3 -","- C32 H38 N6 -","2","1","","Pilopp, Yannic; Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Villinger, Alexander; Schulz, Axel","Designing a visible light-mediated double photoswitch: A combination of biradical and azobenzene structural motifs that can be switched independently","Chemical Science","2024","","","","","10.1039/D4SC07247B","","","0.71073","MoKα","","0.0867","0.0504","","","0.1069","0.1231","","","","","","1.048","","","","has coordinates","296239","2024-12-05","23:06:34",""
"1573404","10.8196","0.0011","21.236","0.002","24.229","0.003","90","","102.703","0.003","90","","5430.7","1","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C65 H67 N5 P2 -","- C65 H67 N5 P2 -","- C260 H268 N20 P8 -","4","1","","Pilopp, Yannic; Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Villinger, Alexander; Schulz, Axel","Designing a visible light-mediated double photoswitch: A combination of biradical and azobenzene structural motifs that can be switched independently","Chemical Science","2024","","","","","10.1039/D4SC07247B","","","0.71073","MoKα","","0.0802","0.0523","","","0.1244","0.1427","","","","","","1.034","","","","has coordinates","296239","2024-12-05","23:06:34",""
"1573405","7.2792","0.0008","9.3758","0.001","20.838","0.002","90","","99.559","0.002","90","","1402.4","0.3","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N3 -","- C17 H17 N3 -","- C68 H68 N12 -","4","1","","Pilopp, Yannic; Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Villinger, Alexander; Schulz, Axel","Designing a visible light-mediated double photoswitch: A combination of biradical and azobenzene structural motifs that can be switched independently","Chemical Science","2024","","","","","10.1039/D4SC07247B","","","0.71073","MoKα","","0.0655","0.0474","","","0.1228","0.1374","","","","","","1.053","","","","has coordinates","296239","2024-12-05","23:06:35",""
"1573406","10.8647","0.0007","21.2993","0.0015","24.1947","0.0018","90","","102.911","0.002","90","","5457.4","0.7","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H66 F N5 P2 -","- C65 H66 F N5 P2 -","- C260 H264 F4 N20 P8 -","4","1","","Pilopp, Yannic; Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Villinger, Alexander; Schulz, Axel","Designing a visible light-mediated double photoswitch: A combination of biradical and azobenzene structural motifs that can be switched independently","Chemical Science","2024","","","","","10.1039/D4SC07247B","","","0.71073","MoKα","","0.1331","0.0852","","","0.1848","0.1943","","","","","","1.08","","","","has coordinates","296239","2024-12-05","23:06:35",""
"1573407","4.6237","0.0006","9.0404","0.0011","35.034","0.005","90","","90","","90","","1464.4","0.3","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N3 O -","- C17 H19 N3 O -","- C68 H76 N12 O4 -","4","1","","Pilopp, Yannic; Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Villinger, Alexander; Schulz, Axel","Designing a visible light-mediated double photoswitch: A combination of biradical and azobenzene structural motifs that can be switched independently","Chemical Science","2024","","","","","10.1039/D4SC07247B","","","0.71073","MoKα","","0.0558","0.0439","","","0.107","0.1135","","","","","","1.052","","","","has coordinates","296239","2024-12-05","23:06:35",""
"1573408","18.06498","0.0001","19.02813","0.00013","39.8336","0.0002","90","","94.9425","0.0005","90","","13641.6","0.14","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Y(Cp*)(FPh)6][{Al[OC(CF3)3]3}2(F)]","","- C206 H123 Al8 F233 O24 Y2 -","- C206 H123 Al8 F233 O24 Y2 -","- C412 H246 Al16 F466 O48 Y4 -","2","0.5","","Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P.","A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet","Chemical Science","2024","","","","","10.1039/D4SC06661H","","x-ray","1.54184","CuKα","","0.1243","0.1186","","","0.3773","0.3889","","","","","","1.919","","","","has coordinates,has disorder","296240","2024-12-05","23:08:11",""
"1573409","15.6166","0.0003","16.3417","0.0005","21.7358","0.0005","90.725","0.002","110.278","0.002","117.066","0.003","4536","0.3","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","[Dy(Cp*)(BH4)2]","","- C74 H154 B12 Dy6 -","- C74 H154 B12 Dy6 -","- C148 H308 B24 Dy12 -","2","1","","Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P.","A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet","Chemical Science","2024","","","","","10.1039/D4SC06661H","","x-ray","1.54184","CuKα","","0.066","0.0532","","","0.1447","0.1525","","","","","","1.026","","","","has coordinates,has disorder","296240","2024-12-05","23:08:12",""
"1573410","21.7517","0.0007","20.9203","0.0007","18.7796","0.0005","90","","93.564","0.003","90","","8529.2","0.5","103","5","103","5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Dy{OC(CF3)3}2(FPh)5][{Al[OC(CF3)3]3}2(F)]","","- C62 H25 Al2 Dy F78 O8 -","- C62 H25 Al2 Dy F78 O8 -","- C248 H100 Al8 Dy4 F312 O32 -","4","1","","Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P.","A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet","Chemical Science","2024","","","","","10.1039/D4SC06661H","","x-ray","1.54184","CuKα","","0.1512","0.0807","","","0.2111","0.2544","","","","","","1.01","","","","has coordinates,has disorder","296240","2024-12-05","23:08:13",""
"1573411","8.3735","0.0003","20.8167","0.0005","8.5037","0.0003","90","","117.93","0.005","90","","1309.61","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[Dy(Cp*)(BH4)2]","","- C10 H23 B2 Dy -","- C10 H23 B2 Dy -","- C40 H92 B8 Dy4 -","4","1","","Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P.","A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet","Chemical Science","2024","","","","","10.1039/D4SC06661H","","x-ray","1.54184","CuKα","","0.0518","0.0485","","","0.1319","0.1347","","","","","","1.065","","","","has coordinates","296240","2024-12-05","23:08:13",""
"1573412","16.9654","0.0002","21.7125","0.0002","14.5559","0.0001","90","","90.735","0.001","90","","5361.39","0.09","99.97","0.12","99.97","0.12","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[Y(Cp*)(BH4)2]","","- C40 H92 B8 Y4 -","- C40 H92 B8 Y4 -","- C160 H368 B32 Y16 -","4","1","","Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P.","A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet","Chemical Science","2024","","","","","10.1039/D4SC06661H","","x-ray","1.54184","CuKα","","0.0475","0.0332","","","0.0852","0.0913","","","","","","1.041","","","","has coordinates","296240","2024-12-05","23:08:13",""
"1573413","16.6426","0.0005","16.7663","0.0004","18.4889","0.0003","105.461","0.002","104.692","0.002","113.53","0.003","4163.3","0.3","100","0.3","100","0.3","","","","","","","","7","P -1","-P 1","2","","[Y(Cp''')(Cp*)(FPh)2][{Al[OC(CF3)3]3}2(F)]","","- C60 H54 Al2 F57 O6 Si3 Y -","- C60 H54 Al2 F57 O6 Si3 Y -","- C120 H108 Al4 F114 O12 Si6 Y2 -","2","1","","Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P.","A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet","Chemical Science","2024","","","","","10.1039/D4SC06661H","","x-ray","1.54184","CuKα","","0.1057","0.0906","","","0.2566","0.2741","","","","","","1.062","","","","has coordinates,has disorder","296240","2024-12-05","23:08:13",""
"1573414","18.2139","0.0003","19.314","0.0004","40.1803","0.0006","90","","94.849","0.001","90","","14084.2","0.4","99.9","0.2","99.9","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Dy(Cp*)(FPh)6][{Al[OC(CF3)3]3}2(F)]","","- C206 H123 Al8 Dy2 F233 O24 -","- C206 H123 Al8 Dy2 F233 O24 -","- C412 H246 Al16 Dy4 F466 O48 -","2","0.5","","Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P.","A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet","Chemical Science","2024","","","","","10.1039/D4SC06661H","","x-ray","1.54184","CuKα","","0.1074","0.091","","","0.258","0.2804","","","","","","1.113","","","","has coordinates,has disorder","296240","2024-12-05","23:08:14",""
"1573415","8.6484","0.0007","14.2399","0.0012","13.3208","0.0015","90","","97.498","0.001","90","","1626.5","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 N4 O4 W -","- C14 H16 N4 O4 W -","- C56 H64 N16 O16 W4 -","4","0.5","","Jankins, Tanner C.; Rubel, Camille Z.; Ho, Hang Chi; Martin-Montero, Raul; Engle, Keary M.","Tungsten-Catalyzed Stereodivergent Isomerization of Terminal Olefins","Chemical Science","2024","","","","","10.1039/D4SC07093C","","x-ray","0.71073","MoKα","","0.0187","0.0183","","","0.045","0.0452","","","","","","1.068","","","","has coordinates","296241","2024-12-05","23:08:45",""
"1573416","8.9455","0.0007","10.6935","0.0007","12.0535","0.0008","66.56","0.002","71.07","0.002","71.049","0.002","974.88","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H46 N2 O12 W2 -","- C38 H46 N2 O12 W2 -","- C38 H46 N2 O12 W2 -","1","0.5","","Jankins, Tanner C.; Rubel, Camille Z.; Ho, Hang Chi; Martin-Montero, Raul; Engle, Keary M.","Tungsten-Catalyzed Stereodivergent Isomerization of Terminal Olefins","Chemical Science","2024","","","","","10.1039/D4SC07093C","","x-ray","0.71073","MoKα","K-L~3~","0.0545","0.0419","","","0.0921","0.0962","","","","","","1.028","","","","has coordinates,has disorder","296241","2024-12-05","23:08:46",""
"1573420","6.6582","0.0003","8.2694","0.0004","32.8995","0.0009","94.801","0.003","90.106","0.003","99.151","0.004","1781.88","0.13","263.15","","263.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 F6 P S12 -","- C28 H32 F6 P S12 -","- C56 H64 F12 P2 S24 -","2","1","","Fujisaki, Masahiro; Naito, Ryoya; Shirahata, Takashi; Kawasugi, Yoshitaka; Tajima, Naoya; Misaki, Yohji","Molecular Conductors Based on Dimethylcyclohexene-Fused Tetrathiafulvalene","Chemistry","2024","6","6","1509","1522","10.3390/chemistry6060091","","x-ray","0.71073","MoKα","","0.1209","0.0584","","","0.1049","0.1266","","","","","","0.962","","","","has coordinates,has disorder","296735","2024-12-07","02:53:05",""
"1573421","6.6663","0.0003","8.202","0.0004","32.6647","0.0013","93.919","0.004","92.093","0.003","100.116","0.004","1751.99","0.14","263.15","","263.15","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H64 Cl2 O8 S24 -","- C56 H64 Cl2 O8 S24 -","- C56 H64 Cl2 O8 S24 -","1","0.5","","Fujisaki, Masahiro; Naito, Ryoya; Shirahata, Takashi; Kawasugi, Yoshitaka; Tajima, Naoya; Misaki, Yohji","Molecular Conductors Based on Dimethylcyclohexene-Fused Tetrathiafulvalene","Chemistry","2024","6","6","1509","1522","10.3390/chemistry6060091","","x-ray","0.71073","MoKα","","0.08","0.0556","","","0.1378","0.1506","","","","","","1.056","","","","has coordinates,has disorder","296736","2024-12-07","02:53:25",""
"1573422","6.6158","0.0002","8.0542","0.0003","32.5826","0.0007","93.731","0.003","92.451","0.002","99.953","0.003","1703.83","0.09","446.15","","446.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 Cl O4 S12 -","- C28 H32 Cl O4 S12 -","- C56 H64 Cl2 O8 S24 -","2","1","","Fujisaki, Masahiro; Naito, Ryoya; Shirahata, Takashi; Kawasugi, Yoshitaka; Tajima, Naoya; Misaki, Yohji","Molecular Conductors Based on Dimethylcyclohexene-Fused Tetrathiafulvalene","Chemistry","2024","6","6","1509","1522","10.3390/chemistry6060091","","x-ray","0.71073","MoKα","","0.0537","0.0419","","","0.0992","0.1054","","","","","","1.033","","","","has coordinates,has disorder","296737","2024-12-07","02:53:37",""
"1573423","6.6189","0.0002","8.1402","0.0002","32.8895","0.0008","94.785","0.002","90.361","0.002","99.344","0.002","1742.1","0.08","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 F6 P S12 -","- C28 H32 F6 P S12 -","- C56 H64 F12 P2 S24 -","2","1","","Fujisaki, Masahiro; Naito, Ryoya; Shirahata, Takashi; Kawasugi, Yoshitaka; Tajima, Naoya; Misaki, Yohji","Molecular Conductors Based on Dimethylcyclohexene-Fused Tetrathiafulvalene","Chemistry","2024","6","6","1509","1522","10.3390/chemistry6060091","","x-ray","0.71073","MoKα","","0.062","0.0409","","","0.0792","0.086","","","","","","1.031","","","","has coordinates,has disorder","296738","2024-12-07","02:53:57",""
"1573424","6.6442","0.0002","8.2163","0.0001","32.9681","0.0006","95.051","0.002","90.064","0.002","98.937","0.002","1770.8","0.07","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 As F6 S12 -","- C28 H32 As F6 S12 -","- C56 H64 As2 F12 S24 -","2","1","","Fujisaki, Masahiro; Naito, Ryoya; Shirahata, Takashi; Kawasugi, Yoshitaka; Tajima, Naoya; Misaki, Yohji","Molecular Conductors Based on Dimethylcyclohexene-Fused Tetrathiafulvalene","Chemistry","2024","6","6","1509","1522","10.3390/chemistry6060091","","x-ray","0.71073","MoKα","","0.0353","0.0303","","","0.0719","0.0741","","","","","","1.028","","","","has coordinates,has disorder","296739","2024-12-07","02:54:18",""
"1573425","16.9059","0.0006","10.6492","0.0004","18.4816","0.0009","90","","90","","90","","3327.3","0.2","170","0.1","170.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C21 H9 Eu N3 O12 -","- C21 H9 Eu N3 O12 -","- C84 H36 Eu4 N12 O48 -","4","0.5","","Shi, Bojun; Jia, Hao; Chen, Lingfang; Zhang, Shuchun; Zhang, Yu; Yin, Baipeng; Bai, Shuming; Zhang, Chuang","Dynamic Magnetic Control of Lanthanide Metal–Organic Framework Crystals and Their Polarized Emissions","Chemistry","2024","6","6","1415","1426","10.3390/chemistry6060084","","","0.71073","MoKα","","0.0352","0.0309","","","0.074","0.0759","","","","","","1.095","","","","has coordinates","296740","2024-12-07","02:54:32",""
"1573426","38.356","0.002","9.525","0.001","34.782","0.002","90","","110.67","0.02","90","","11889","2","203.15","","203.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H65 N11 O15 S2 U3 -","- C40 H65 N11 O15 S2 U3 -","- C320 H520 N88 O120 S16 U24 -","8","1","","Noufele, Christelle Njiki; Roca Jungfer, Maximilian; Hagenbach, Adelheid; Nguyen, Hung Huy; Abram, Ulrich","Uranium-Mediated Thiourea/Urea Conversion on Chelating Ligands","Inorganics","2024","12","11","295","","10.3390/inorganics12110295","","","0.71073","MoKα","","0.0946","0.0501","","","0.0949","0.1063","","","","","","0.886","","","","has coordinates","296741","2024-12-07","06:20:00",""
"1573427","23.754","0.005","19.292","0.004","13.997","0.003","90","","90","","90","","6414","2","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C42 H68 N11 O15 S2 U3 -","- C42 H66 N11 O14 S2 U3 -","- C168 H264 N44 O56 S8 U12 -","4","0.5","","Noufele, Christelle Njiki; Roca Jungfer, Maximilian; Hagenbach, Adelheid; Nguyen, Hung Huy; Abram, Ulrich","Uranium-Mediated Thiourea/Urea Conversion on Chelating Ligands","Inorganics","2024","12","11","295","","10.3390/inorganics12110295","","","0.71073","MoKα","","0.0912","0.0709","","","0.1554","0.1704","","","","","","1.111","","","","has coordinates,has disorder","296741","2024-12-07","06:20:01",""
"1573428","12.752","0.001","18.341","0.001","28.125","0.002","90","","103.02","0.003","90","","6408.9","0.8","203.15","","203.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H69 N10 O14 P S2 U3 -","- C55 H69 N10 O14 P S2 U3 -","- C220 H276 N40 O56 P4 S8 U12 -","4","1","","Noufele, Christelle Njiki; Roca Jungfer, Maximilian; Hagenbach, Adelheid; Nguyen, Hung Huy; Abram, Ulrich","Uranium-Mediated Thiourea/Urea Conversion on Chelating Ligands","Inorganics","2024","12","11","295","","10.3390/inorganics12110295","","","0.71073","MoKα","","0.0682","0.0355","","","0.06","0.0661","","","","","","0.864","","","","has coordinates","296741","2024-12-07","06:20:01",""
"1573429","11.6894","0.0002","15.4536","0.0004","16.1745","0.0005","79.469","0.002","87.062","0.002","81.301","0.002","2838.72","0.13","293","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H41 Ce Cu5 N17 O24 -","- C30 H41 Ce Cu5 N17 O24 -","- C60 H82 Ce2 Cu10 N34 O48 -","2","1","","Tempesta, Jésio D.; Paiva, Fábio Faria; Ferreira, Leonildo A.; da Silva, Rafaela M. R.; Botelho, Luckerman D. G.; Rosa, Iara M. L.; Candido, Caio Cesar; Gomes, Angelo Marcio; Nunes, Wallace C.; Guedes, Guilherme P.; Marinho, Maria Vanda","Metallacrown of CeIIICuII5: Synthesis, Structural Characterization and Insights for Nanoparticles","Magnetochemistry","2024","10","12","96","","10.3390/magnetochemistry10120096","","x-ray","0.71073","MoKα","","0.0719","0.0447","","","0.09","0.1048","","","","","","1.007","","","","has coordinates,has disorder","296742","2024-12-07","08:12:03",""
"1573430","12.0996","0.0005","10.9016","0.0005","29.2496","0.0012","90","","96.378","0.004","90","","3834.3","0.3","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C51 H43 N3 -","- C51 H43 N3 -","- C204 H172 N12 -","4","1","","Liu, Le; Song, Shuangji; Lee, Jiyeon; Rao, Yutao; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Oh, Juwon; Kim, Jiwon; Osuka, Atsuhiro; Song, Jianxin","Sub-m-benziporphyrin: A Subcarbaporphyrinoid and Its BIII Complex with An Unprecedented Planar Tridentate 14-Aromatic Network","Chemical Science","2024","","","","","10.1039/D4SC07199A","","x-ray","1.54184","CuKα","","0.0889","0.0575","","","0.1249","0.1414","","","","","","1.047","","","","has coordinates","296810","2024-12-09","23:05:21",""
"1573431","13.211","0.002","20.856","0.002","15.732","0.003","90","","114.86","0.02","90","","3933","1.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H39 B N2 O2 -","- C49 H39 B N2 O2 -","- C196 H156 B4 N8 O8 -","4","1","","Liu, Le; Song, Shuangji; Lee, Jiyeon; Rao, Yutao; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Oh, Juwon; Kim, Jiwon; Osuka, Atsuhiro; Song, Jianxin","Sub-m-benziporphyrin: A Subcarbaporphyrinoid and Its BIII Complex with An Unprecedented Planar Tridentate 14-Aromatic Network","Chemical Science","2024","","","","","10.1039/D4SC07199A","","x-ray","1.54184","CuKα","","0.1272","0.0543","","","0.1082","0.1332","","","","","","0.778","","","","has coordinates","296810","2024-12-09","23:05:22",""
"1573432","12.2357","0.0004","13.4613","0.0005","14.9649","0.0005","78.284","0.003","77.397","0.003","76.902","0.003","2312.08","0.14","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C55 H43 B N2 -","- C55 H43 B N2 -","- C110 H86 B2 N4 -","2","1","","Liu, Le; Song, Shuangji; Lee, Jiyeon; Rao, Yutao; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Oh, Juwon; Kim, Jiwon; Osuka, Atsuhiro; Song, Jianxin","Sub-m-benziporphyrin: A Subcarbaporphyrinoid and Its BIII Complex with An Unprecedented Planar Tridentate 14-Aromatic Network","Chemical Science","2024","","","","","10.1039/D4SC07199A","","x-ray","1.54184","CuKα","","0.046","0.0406","","","0.0999","0.1039","","","","","","1.036","","","","has coordinates","296810","2024-12-09","23:05:22",""
"1573433","14.4553","0.0006","15.13","0.0006","21.027","0.0007","92.22","0.003","94.235","0.003","98.658","0.004","4528.2","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C50 H41 B N2 O2 -","- C50 H41 B N2 O2 -","- C200 H164 B4 N8 O8 -","4","2","","Liu, Le; Song, Shuangji; Lee, Jiyeon; Rao, Yutao; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Oh, Juwon; Kim, Jiwon; Osuka, Atsuhiro; Song, Jianxin","Sub-m-benziporphyrin: A Subcarbaporphyrinoid and Its BIII Complex with An Unprecedented Planar Tridentate 14-Aromatic Network","Chemical Science","2024","","","","","10.1039/D4SC07199A","","x-ray","1.54184","CuKα","","0.0881","0.0622","","","0.1525","0.1684","","","","","","1.029","","","","has coordinates","296810","2024-12-09","23:05:23",""
"1573434","11.919","0.0012","12.5825","0.0011","14.8081","0.0016","104.186","0.008","110.328","0.009","96.071","0.008","1974","0.4","99.98","0.1","99.98","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C49 H39 B N2 O -","- C49 H39 B N2 O -","- C98 H78 B2 N4 O2 -","2","1","","Liu, Le; Song, Shuangji; Lee, Jiyeon; Rao, Yutao; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Oh, Juwon; Kim, Jiwon; Osuka, Atsuhiro; Song, Jianxin","Sub-m-benziporphyrin: A Subcarbaporphyrinoid and Its BIII Complex with An Unprecedented Planar Tridentate 14-Aromatic Network","Chemical Science","2024","","","","","10.1039/D4SC07199A","","x-ray","1.54184","CuKα","","0.1507","0.0818","","","0.1879","0.2274","","","","","","1.027","","","","has coordinates","296810","2024-12-09","23:05:23",""
"1573435","11.6677","0.0012","12.7694","0.0011","14.5328","0.0008","103.399","0.007","109.908","0.008","94.935","0.007","1948","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C49 H39 B N2 -","- C49 H39 B N2 -","- C98 H78 B2 N4 -","2","1","","Liu, Le; Song, Shuangji; Lee, Jiyeon; Rao, Yutao; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Oh, Juwon; Kim, Jiwon; Osuka, Atsuhiro; Song, Jianxin","Sub-m-benziporphyrin: A Subcarbaporphyrinoid and Its BIII Complex with An Unprecedented Planar Tridentate 14-Aromatic Network","Chemical Science","2024","","","","","10.1039/D4SC07199A","","x-ray","1.54184","CuKα","","0.1166","0.0815","","","0.216","0.2447","","","","","","1.047","","","","has coordinates,has disorder","296810","2024-12-09","23:05:23",""
"1573449","15.31573","0.00019","15.31573","0.00019","56.9773","0.0007","90","","90","","120","","11574.7","0.2","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C60 H59 N24 O29.5 Zn9 -","- C60 H48 N24 O24 Zn9 -","- C360 H288 N144 O144 Zn54 -","6","0.166667","","Zeng, Ming-Hua; Huang, Fu-Ping; Duan, Jingui; Tao, Ye; Dong, Qiubing; Wan, Jingmeng","Evolution From [Zn9] to Record-High [Zn54] Subblock and Engineering Hierarchical Supramolecular Framework for Enhanced Iodine Uptake","Chemical Science","2024","","","","","10.1039/D4SC04474F","","x-ray","0.71073","MoKα","","0.042","0.0355","","","0.0976","0.103","","","","","","1.036","","","","has coordinates","296850","2024-12-11","23:11:14",""
"1573450","58.9792","0.0003","58.9792","0.0003","58.9792","0.0003","90","","90","","90","","205162","1.8","100","0.1","100","0.1","","","","","","","","6","F d -3 :2","-F 2uv 2vw 3","203","","","","- C348 H288 I56.6 N156 O118.8 Zn54 -","- C348 H288 I9.5984 N156 O118.8 Zn54 -","- C2784 H2304 I76.7872 N1248 O950.4 Zn432 -","8","0.0833333","","Zeng, Ming-Hua; Huang, Fu-Ping; Duan, Jingui; Tao, Ye; Dong, Qiubing; Wan, Jingmeng","Evolution From [Zn9] to Record-High [Zn54] Subblock and Engineering Hierarchical Supramolecular Framework for Enhanced Iodine Uptake","Chemical Science","2024","","","","","10.1039/D4SC04474F","","x-ray","1.54184","CuKα","","0.0865","0.0672","","","0.2132","0.2336","","","","","","1.001","","","","has coordinates,has disorder","296850","2024-12-11","23:11:15",""
"1573451","58.3017","0.0002","58.3017","0.0002","58.3017","0.0002","90","","90","","90","","198173","1.2","100","0.1","100","0.1","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","","","","- C523.2 H705.2 N195.61 O170 Zn54 -","- C385.2 H367.2 N165.6 O108 Zn54 -","- C3081.6 H2937.6 N1324.8 O864 Zn432 -","8","0.0833333","","Zeng, Ming-Hua; Huang, Fu-Ping; Duan, Jingui; Tao, Ye; Dong, Qiubing; Wan, Jingmeng","Evolution From [Zn9] to Record-High [Zn54] Subblock and Engineering Hierarchical Supramolecular Framework for Enhanced Iodine Uptake","Chemical Science","2024","","","","","10.1039/D4SC04474F","","x-ray","1.54184","CuKα","","0.0434","0.039","","","0.1259","0.1288","","","","","","1.012","","","","has coordinates,has disorder","296850","2024-12-11","23:11:16",""
"2022959","10.1905","0.0006","10.1905","0.0006","14.4709","0.001","90","","90","","90","","1502.75","0.16","296","2","296","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","Magnesium lithium boride (1.11/1.89/47.60)","","- B47.6 Li1.89 Mg1.11 -","- B47.61 Li1.913 Mg1.087 -","- B190.44 Li7.652 Mg4.348 -","4","0.5","NU2001","Pavlyuk, Nazar; Milashius, Viktoria; Kordan, Vasyl; Pavlyuk, Volodymyr","Synthesis, crystal structure and hydrogenation properties of Mg<sub><i>x</i></sub>Li<sub>3 - <i>x</i></sub>B<sub>48 - <i>y</i></sub> (<i>x</i> = 1.11, <i>y</i> = 0.40).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","10","13","10.1107/S2056989023009969","","","0.71073","MoKα","","0.0572","0.0531","","","0.1256","0.1294","","","","","","0.995","","","","has coordinates,has Fobs","289681","2024-02-05","12:05:06",""
"2022960","28.4313","0.0007","7.6516","0.0002","29.5461","0.0009","90","","90","","90","","6427.6","0.3","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Chloridobis{<i>N</i>-[(4-methoxyphenyl)imino]pyrrolidine-1-carboxamide}zinc(II) (acetonitrile)trichloridozincate","","- C26 H33 Cl4 N7 O4 Zn2 -","- C26 H33 Cl4 N7 O4 Zn2 -","- C208 H264 Cl32 N56 O32 Zn16 -","8","1","YY2008","Tiwari, Laxmi; Waynant, Kristopher V.","The synthesis and structural properties of a chlorido-bis-{<i>N</i>-[(4-meth-oxy-phen-yl)imino]-pyrrolidine-1-carboxamide}-zinc(II) (aceto-nitrile)-trichlorido-zincate coordination complex.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","14","17","10.1107/S2056989023010447","","x-ray","0.71073","MoKα","","0.0673","0.0457","","","0.0953","0.1039","","","","","","1.151","","","","has coordinates,has Fobs","289695","2024-02-05","12:09:04",""
"2022961","10.6474","0.0003","13.2429","0.0003","11.4176","0.0003","90","","99.067","0.001","90","","1589.79","0.07","100","2","100","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","3-{1-[(2-Hydroxyphenyl)methyl]-1<i>H</i>-1,3-benzodiazol-2-yl}phenol","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","1","ZN2033","Bouhidel, Zakaria; Sahli, Kaouther; Cherouana, Aouatef","Crystal structure and Hirshfeld surface analysis of a new benzimidazole compound, 3-{1-[(2-hy-droxyphen-yl)meth-yl]-1<i>H</i>-1,3-benzo-diazol-2-yl}phenol.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","18","21","10.1107/S2056989023010368","","","0.71073","MoKα","","0.1017","0.059","","","0.1624","0.1897","","","","","","1.059","","","","has coordinates","289679","2024-02-05","12:04:47",""
"2022962","15.8584","0.0011","5.3693","0.0004","8.8636","0.0006","90","","99.994","0.007","90","","743.27","0.09","286","","286","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-Biphenyl-4,4'-disulfonato-bis(aqualithium)","","- C12 H12 Li2 O8 S2 -","- C12 H12 Li2 O8 S2 -","- C24 H24 Li4 O16 S4 -","2","0.5","JP2001","Kumagai, Hitoshi; Kawata, Satoshi; Ogihara, Nobuhiro","Crystal structure of dilithium biphenyl-4,4'-di-sulfonate dihydrate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","22","24","10.1107/S2056989023010411","","","0.71075","MoKα","","0.0683","0.0606","","","0.1551","0.1593","","","","","","1.122","","","","has coordinates,has Fobs","289680","2024-02-05","12:04:56",""
"2022963","8.26968","0.0001","12.50096","0.00014","12.76743","0.00016","116.955","0.0012","104.842","0.001","91.0281","0.001","1123.39","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2-{[5-Amino-1-(4-methylbenzene-1-sulfonyl)-1<i>H</i>-pyrazol-3-yl]oxy}-1-(4-methoxyphenyl)ethan-1-one 1,4-dioxane monosolvate","2-[(5-Amino-1-tosyl-1<i>H</i>-pyrazol-3-yl)oxy]-1-(4-methoxyphenyl)ethan-1-one 1,4-dioxane monosolvate","","- C23 H27 N3 O7 S -","- C23 H27 N3 O7 S -","- C46 H54 N6 O14 S2 -","2","1","YZ2045","Metwally, Nadia H.; Elgemeie, Galal H.; Jones, Peter G.","Crystal structure of 2-[(5-amino-1-tosyl-1<i>H</i>-pyrazol-3-yl)-oxy]-1-(4-meth-oxy-phen-yl)ethan-1-one 1,4-dioxane monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","29","33","10.1107/S205698902301054X","","","0.71073","MoKα","","0.0314","0.0266","","","0.0838","0.0865","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","289682","2024-02-05","12:05:21",""
"2022964","15.5352","0.0002","11.5178","0.0001","16.0472","0.0002","90","","107.616","0.002","90","","2736.7","0.06","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diammonium {μ-1,3,4,7,8,10,12,13,16,17,19,22-dodecaazatetracyclo[8.8.4.1^3,17^.1^8,12^]tetracosane-5,6,14,15,20,21-hexaonato}ferrate(IV) acetic acid trisolvate","","- C18 H32 Fe N14 O12 -","- C18 H32 Fe N14 O12 -","- C72 H128 Fe4 N56 O48 -","4","0.5","WM5703","Plutenko, Maksym O.; Shylin, Sergii I.; Shova, Sergiu; Blinder, Aleksander V.; Fritsky, Igor O.","Crystal structure of a water oxidation catalyst solvate with composition (NH<sub>4</sub>)<sub>2</sub>[Fe<sup>IV</sup>(<i>L</i>-6H)]·3CH<sub>3</sub>COOH (<i>L</i> = clathrochelate ligand).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","25","28","10.1107/S2056989023010514","","","0.71073","MoKα","","0.0246","0.024","","","0.0639","0.0643","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","289684","2024-02-05","12:05:43",""
"2022965","8.05892","0.00017","11.1342","0.0002","15.0596","0.0004","90","","97.004","0.002","90","","1341.21","0.05","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Chlorido(tripropylphosphane sulfide-κ<i>S</i>)gold","","- C9 H21 Au Cl P S -","- C9 H21 Au Cl P S -","- C36 H84 Au4 Cl4 P4 S4 -","4","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0191","0.0148","","","0.0301","0.0315","","","","","","1.077","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:56",""
"2022966","26.953","0.003","8.1226","0.0004","18.69","0.002","90","","132.03","0.02","90","","3039.3","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[Bis(<i>tert</i>-butyl)(propan-2-yl)tripropylphosphane sulfide-κ<i>S</i>]chloridogold","","- C11 H25 Au Cl P S -","- C11 H25 Au Cl P S -","- C88 H200 Au8 Cl8 P8 S8 -","8","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.027","0.021","","","0.0409","0.043","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","289690","2024-02-05","12:07:56",""
"2022967","8.45319","0.00017","10.904","0.0003","8.7166","0.0002","90","","93.583","0.002","90","","801.87","0.03","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Chlorido(tri-<i>tert</i>-butylphosphane sulfide-κ<i>S</i>)gold","","- C12 H27 Au Cl P S -","- C12 H27 Au Cl P S -","- C24 H54 Au2 Cl2 P2 S2 -","2","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0214","0.0188","","","0.0324","0.0332","","","","","","1.035","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:56",""
"2022968","8.0938","0.0002","11.3088","0.0004","14.9798","0.0006","90","","96.403","0.002","90","","1362.57","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Chlorido(tripropylphosphane selenide-κ<i>Se</i>)gold","","- C9 H21 Au Cl P Se -","- C9 H21 Au Cl P Se -","- C36 H84 Au4 Cl4 P4 Se4 -","4","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0391","0.025","","","0.0351","0.038","","","","","","1.063","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:56",""
"2022969","8.2215","0.0002","11.3519","0.0003","15.24","0.0004","90","","92.389","0.004","90","","1421.11","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[(<i>tert</i>-Butyl)bis(propan-2-yl)phosphane selenide-κ<i>Se</i>]chloridogold","","- C10 H23 Au Cl P Se -","- C10 H23 Au Cl P Se -","- C40 H92 Au4 Cl4 P4 Se4 -","4","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0314","0.021","","","0.0406","0.0437","","","","","","1.064","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:56",""
"2022970","7.64505","0.0001","14.6437","0.0002","13.7211","0.0002","90","","90.4954","0.0012","90","","1536.04","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Bis(<i>tert</i>-butyl)(propan-2-yl)phosphane selenide-κ<i>Se</i>]chloridogold","","- C11 H25 Au Cl P Se -","- C11 H25 Au Cl P Se -","- C44 H100 Au4 Cl4 P4 Se4 -","4","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0243","0.0203","","","0.0408","0.0423","","","","","","1.058","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:56",""
"2022971","8.1898","0.0002","11.1421","0.0003","15.3064","0.0004","90","","97.394","0.002","90","","1385.12","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bromido(tripropylphosphane sulfide-κ<i>S</i>)gold","","- C9 H21 Au Br P S -","- C9 H21 Au Br P S -","- C36 H84 Au4 Br4 P4 S4 -","4","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0275","0.0188","","","0.0302","0.0318","","","","","","1.057","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:56",""
"2022972","27.3157","0.001","8.16931","0.00013","18.8362","0.0007","90","","132.187","0.007","90","","3114.5","0.4","101","2","101","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[Bis(<i>tert</i>-butyl)(propan-2-yl)tripropylphosphane sulfide-κ<i>S</i>]bromidogold","","- C11 H25 Au Br P S -","- C11 H25 Au Br P S -","- C88 H200 Au8 Br8 P8 S8 -","8","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0182","0.0153","","","0.0311","0.032","","","","","","1.078","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:56",""
"2022973","8.3107","0.0006","13.482","0.0005","14.7591","0.0009","90","","90.424","0.006","90","","1653.64","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bromido(tri-<i>tert</i>-butylphosphane sulfide-κ<i>S</i>)gold","","- C12 H27 Au Br P S -","- C12 H27 Au Br P S -","- C48 H108 Au4 Br4 P4 S4 -","4","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0486","0.0373","","","0.0791","0.0842","","","","","","1.043","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:56",""
"2022974","8.225","0.00014","11.31793","0.00017","15.2065","0.0003","90","","96.6895","0.0016","90","","1405.94","0.04","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bromido(tripropylphosphane selenide-κ<i>Se</i>)gold","","- C9 H21 Au Br P Se -","- C9 H21 Au Br P Se -","- C36 H84 Au4 Br4 P4 Se4 -","4","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0205","0.0152","","","0.0282","0.0293","","","","","","1.073","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:56",""
"2022975","11.5037","0.0002","15.244","0.0002","16.8366","0.0002","90","","90.053","0.002","90","","2952.51","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bromido[(<i>tert</i>-butyl)bis(propan-2-yl)phosphane selenide-κ<i>Se</i>]gold","","- C10 H23 Au Br P Se -","- C10 H23 Au Br P Se -","- C80 H184 Au8 Br8 P8 Se8 -","8","2","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0272","0.0215","","","0.0385","0.0398","","","","","","1.09","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:56",""
"2022976","7.66804","0.00008","14.77026","0.00016","13.94963","0.00015","90","","90.4697","0.001","90","","1579.87","0.03","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Bis(<i>tert</i>-butyl)(propan-2-yl)phosphane selenide-κ<i>Se</i>]bromidogold","","- C11 H25 Au Br P Se -","- C11 H25 Au Br P Se -","- C44 H100 Au4 Br4 P4 Se4 -","4","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0378","0.0327","","","0.0799","0.0832","","","","","","1.069","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:56",""
"2022977","8.29705","0.00016","13.6959","0.0003","14.6444","0.0003","90","","90.0892","0.0018","90","","1664.12","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bromido(tri-<i>tert</i>-butylphosphane selenide-κ<i>Se</i>)gold","","- C12 H27 Au Br P Se -","- C12 H27 Au Br P Se -","- C48 H108 Au4 Br4 P4 Se4 -","4","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0288","0.0226","","","0.0418","0.0433","","","","","","1.111","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:56",""
"2022978","8.601","0.0002","15.0435","0.0003","11.7218","0.0002","90","","91.202","0.002","90","","1516.34","0.05","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[(<i>tert</i>-Butyl)bis(propan-2-yl)phosphane sulfide-κ<i>S</i>]iodidogold","","- C10 H23 Au I P S -","- C10 H23 Au I P S -","- C40 H92 Au4 I4 P4 S4 -","4","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0221","0.0178","","","0.0316","0.0327","","","","","","1.12","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:57",""
"2022979","11.70073","0.00016","15.4167","0.0002","17.048","0.0002","90","","89.6296","0.0012","90","","3075.17","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[(<i>tert</i>-Butyl)bis(propan-2-yl)phosphane selenide-κ<i>Se</i>]iodidogold","","- C10 H23 Au I P Se -","- C10 H23 Au I P Se -","- C80 H184 Au8 I8 P8 Se8 -","8","2","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0273","0.0216","","","0.0388","0.0403","","","","","","1.063","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:57",""
"2022980","10.7755","0.0002","10.7755","0.0002","28.3769","0.0005","90","","90","","90","","3294.88","0.1","100","2","100","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","[Bis(<i>tert</i>-butyl)(propan-2-yl)phosphane selenide-κ<i>Se</i>]iodidogold","","- C11 H25 Au I P Se -","- C11 H25 Au I P Se -","- C88 H200 Au8 I8 P8 Se8 -","8","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0327","0.032","","","0.0782","0.0784","","","","","","1.421","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:57",""
"2022981","13.6801","0.0013","10.7078","0.0011","22.035","0.002","90","","102.553","0.004","90","","3150.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[1,3-Bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]dichlorido(2-{[(2-methoxyethyl)(methyl)amino]methyl}benzylidene)ruthenium","","- C33 H43 Cl2 N3 O Ru -","- C33 H43 Cl2 N3 O Ru -","- C132 H172 Cl8 N12 O4 Ru4 -","4","1","","Mammadova, Gunay Z.; Atioğlu, Zeliha; Akkurt, Mehmet; Grigoriev, Mikhail S.; Volchkov, Nikita S.; Azizova, Asmet N.; Bhattarai, Ajaya; Antonova, Alexandra S.","Crystal structure of [1,3-bis-(2,4,6-tri-methyl-phen-yl)imidazolidin-2-yl-idene]di-chlorido-(2-{[(2-methoxyeth-yl)(meth-yl)amino]-meth-yl}benzyl-idene)ruth-en-ium.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","50","53","10.1107/S2056989023010381","","","0.71073","MoKα","","0.0514","0.032","","","0.0634","0.0702","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","289692","2024-02-05","12:08:24",""
"2022982","12.52978","0.00009","18.87277","0.00012","10.63916","0.00007","90","","109.409","0.0008","90","","2372.88","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dimethyl 4-hydroxy-5,4'-dimethyl-2'-(toluene-4-sulfonylamino)biphenyl-2,3-dicarboxylate","Dimethyl 4-hydroxy-5,4'-dimethyl-2'-{[(4-methylphenyl)sulfonyl]amino}biphenyl-\ 2,3-dicarboxylate","","- C25 H25 N O7 S -","- C25 H25 N O7 S -","- C100 H100 N4 O28 S4 -","4","1","JY2041","Guliyeva, Narmina A.; Burkin, Gleb M.; Annadurdyyeva, Selbi; Khrustalev, Victor N.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of dimethyl 4-hy-droxy-5,4'-dimethyl-2'-(toluene-4-sulfonyl-amino)-biphenyl-2,3-di-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","62","66","10.1107/S205698902301071X","","","1.54184","CuKα","","0.0345","0.0334","","","0.0866","0.0875","","","","","","1.034","","","","has coordinates,has Fobs","289683","2024-02-05","12:05:33",""
"2022983","7.74413","0.00003","7.74413","0.00003","53.4131","0.0003","90","","90","","90","","3203.27","0.03","100","2","100","2","","","","","","","","4","P 43","P 4cw","78","","3-Benzyl-2-[bis(1<i>H</i>-pyrrol-2-yl)methyl]thiophene","","- C20 H18 N2 S -","- C20 H18 N2 S -","- C160 H144 N16 S8 -","8","2","JY2043","Sadikhova, Nurlana D.; Atioğlu, Zeliha; Guliyeva, Narmina A.; Shelukho, Evgeniya R.; Polyanskaya, Darya K.; Khrustalev, Victor N.; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of 3-benzyl-2-[bis(1<i>H</i>-pyrrol-2-yl)methyl]thiophene.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","72","77","10.1107/S2056989023010800","","","1.54184","CuKα","","0.0294","0.029","","","0.0765","0.077","","","","","","1.029","","","","has coordinates,has Fobs","289685","2024-02-05","12:05:57",""
"2022984","7.67386","0.00011","7.66462","0.00009","18.8755","0.0002","90","","97.4258","0.0012","90","","1100.89","0.02","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[(μ-2-methylpyridine <i>N</i>-oxide-κ^2^<i>O</i>:<i>O</i>)bis(μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>)cobalt(II)]","","- C8 H7 Co N3 O S2 -","- C8 H7 Co N3 O S2 -","- C32 H28 Co4 N12 O4 S8 -","4","1","PK2699","Näther, Christian; Jess, Inke","Synthesis, crystal structure and properties of poly[(μ-2-methyl-pyridine <i>N</i>-oxide-κ<sup>2</sup><i>O</i>:<i>O</i>)bis-(μ-thio-cyanato-κ<sup>2</sup><i>N</i>:<i>S</i>)cobalt(II)].","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","67","71","10.1107/S2056989023010721","","x-ray","1.54184","CuKα","","0.029","0.0287","","","0.0654","0.0655","","","","","","1.173","","","","has coordinates,has disorder,has Fobs","289686","2024-02-05","12:06:06",""
"2022985","7.1566","0.0004","14.1907","0.0009","16.2737","0.001","90","","91.329","0.002","90","","1652.27","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Diethyl (3a<i>S</i>,3a1<i>R</i>,4<i>S</i>,5<i>S</i>,6<i>R</i>,6a<i>S</i>,7<i>R</i>,9a<i>S</i>)-3a1,5,6,6a-tetrahydro-1<i>H</i>,3<i>H</i>,4<i>H</i>,7<i>H</i>-3a,6:7,9a-diepoxybenzo[<i>de</i>]isochromene-4,5-dicarboxylate","","- C18 H22 O7 -","- C18 H22 O7 -","- C72 H88 O28 -","4","1","JY2042","Sadikhova, Nurlana D.; Atioğlu, Zeliha; Guliyeva, Narmina A.; Podrezova, Alexandra G.; Nikitina, Eugeniya V.; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of dieth-yl (3a<i>S</i>,3<i>a</i>1<i>R</i>,4<i>S</i>,5<i>S</i>,6<i>R</i>,6a<i>S</i>,7<i>R</i>,9a<i>S</i>)-3a1,5,6,6a-tetra-hydro-1<i>H</i>,3<i>H</i>,4<i>H</i>,7<i>H</i>-3a,6:7,9a-di-epoxy-benzo[<i>de</i>]isochromene-4,5-di-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","83","87","10.1107/S2056989023010794","","","0.71073","MoKα","","0.0709","0.0459","","","0.104","0.1185","","","","","","1.026","","","","has coordinates,has Fobs","289687","2024-02-05","12:06:15",""
"2022986","8.8689","0.0004","8.4361","0.0003","21.7319","0.0009","90","","90","","90","","1625.96","0.12","250","0.5","250","0.5","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Methoxyanilinium chloride","","- C7 H10 Cl N O -","- C7 H10 Cl N O -","- C56 H80 Cl8 N8 O8 -","8","1","HB8089","Uppu, Rao M.; Babu, Sainath; Fronczek, Frank R.","Temperature-dependent solid-state phase transition with twinning in the crystal structure of 4-meth-oxy-anilinium chloride.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","58","61","10.1107/S2056989023010812","","","0.71073","MoKα","","0.0607","0.0411","","","0.0927","0.1015","","","","","","1.08","","","","has coordinates,has Fobs","289688","2024-02-05","12:06:33",""
"2022987","8.3039","0.0006","21.6993","0.0015","8.8495","0.0006","90","","90.077","0.002","90","","1594.58","0.19","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Methoxyanilinium chloride","","- C7 H10 Cl N O -","- C7 H10 Cl N O -","- C56 H80 Cl8 N8 O8 -","8","2","HB8089","Uppu, Rao M.; Babu, Sainath; Fronczek, Frank R.","Temperature-dependent solid-state phase transition with twinning in the crystal structure of 4-meth-oxy-anilinium chloride.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","58","61","10.1107/S2056989023010812","","","0.71073","MoKα","","0.0428","0.0329","","","0.0719","0.0749","","","","","","1.059","","","","has coordinates,has Fobs","289688","2024-02-05","12:06:34",""
"2022988","10.4638","0.0003","13.4495","0.0004","13.734","0.0004","90","","90","","90","","1932.83","0.1","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Morpholinoformamidinium hexafluorophosphate","","- C5 H11 F6 N2 O P -","- C5 H11 F6 N2 O P -","- C40 H88 F48 N16 O8 P8 -","8","1","WM5706","Neary, Michelle C.; Corfield, Peter W. R.; Parkin, Sean R.; Saba, Shahrokh","Crystal structures of two formamidinium hexa-fluorido-phosphate salts, one with batch-dependent disorder.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","88","93","10.1107/S2056989023010848","","","1.54178","CuKα","","0.0265","0.0251","","","0.0702","0.0705","","","","","","1.116","","","","has coordinates,has disorder,has Fobs","289689","2024-02-05","12:06:50",""
"2022989","10.4504","0.0014","13.717","0.0016","13.4157","0.0014","90","","90","","90","","1923.1","0.4","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Morpholinoformamidinium hexafluorophosphate","","- C5 H11 F6 N2 O P -","- C5 H11 F6 N2 O P -","- C40 H88 F48 N16 O8 P8 -","8","2","","Neary, Michelle C.; Corfield, Peter W. R.; Parkin, Sean R.; Saba, Shahrokh","Crystal structures of two formamidinium hexa-fluorido-phosphate salts, one with batch-dependent disorder.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","88","93","10.1107/S2056989023010848","","","0.71073","MoKα","","0.0537","0.0322","","","0.0769","0.0881","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","289689","2024-02-05","12:06:58",""
"2022990","12.3588","0.0003","12.7942","0.0003","12.2759","0.0003","90","","105.4","0.001","90","","1871.38","0.08","130","2","130","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Pyrrolidinoformamidinium hexafluorophosphate","","- C5 H11 F6 N2 P -","- C5 H11 F6 N2 P -","- C40 H88 F48 N16 P8 -","8","2","","Neary, Michelle C.; Corfield, Peter W. R.; Parkin, Sean R.; Saba, Shahrokh","Crystal structures of two formamidinium hexa-fluorido-phosphate salts, one with batch-dependent disorder.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","88","93","10.1107/S2056989023010848","","","1.54178","CuKα","","0.0492","0.0488","","","0.1343","0.1345","","","","","","1.074","","","","has coordinates,has Fobs","289689","2024-02-05","12:07:01",""
"2022991","9.267","0.003","13.178","0.004","15.053","0.005","90","","94.437","0.006","90","","1832.8","1","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2-Methylidene-1,2-dihydropyridinium-κ<i>N</i>)tris(tetrahydrofuran-κ<i>O</i>)lithium","","- C18 H30 Li N O3 -","- C18 H30 Li N O3 -","- C72 H120 Li4 N4 O12 -","4","1","HB8083","Mairath, Tristan; Schmidt, Annika; Strohmann, Carsten","Crystal structure and Hirshfeld surface analysis of 2-picolyllithium·3thf.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","78","82","10.1107/S2056989023010873","","","0.71073","MoKα","","0.0738","0.0524","","","0.1428","0.1585","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","289691","2024-02-05","12:08:14",""
"2022992","6.8465","0.0004","7.1097","0.0007","7.209","0.0005","79.267","0.007","83.193","0.006","64.076","0.008","309.8","0.05","200","0.1","200","0.1","","","","","","","","5","P -1","-P 1","2","","Diaquabis(5-methyl-1<i>H</i>-1,2,4-triazole-3-carboxylato)copper(II)","","- C8 H12 Cu N6 O6 -","- C8 H12 Cu N6 O6 -","- C8 H12 Cu N6 O6 -","1","0.5","PK2702","Petrenko, Yuliia P.; Vynohradov, Oleksandr S.; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Raspertova, Ilona V.; Shova, Sergiu; Lampeka, Rostyslav D.","Crystal structure and Hirshfeld-surface analysis of di-aqua-bis-(5-methyl-1<i>H</i>-1,2,4-triazole-3-carboxyl-ato)copper(II).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","54","57","10.1107/S2056989023010770","","","0.71073","MoKα","","0.0246","0.0243","","","0.0621","0.0624","","","","","","1.108","","","","has coordinates,has Fobs","289693","2024-02-05","12:08:33",""
"2022994","10.5283","0.0001","11.8583","0.0002","11.9401","0.0001","101.044","0.001","98.136","0.001","104.142","0.001","1390.69","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(dimethyl sulfoxide)tetrakis(μ-pyrene-1-carboxylato)dicopper(<i>Cu</i>—<i>Cu</i>)","","- C72 H48 Cu2 O10 S2 -","- C72 H48 Cu2 O10 S2 -","- C72 H48 Cu2 O10 S2 -","1","0.5","NY2001","Nogué-Guzmán, Vianca C; Burgos-Suazo, Alejandro; Rivera-Reyes, Javier O; Montes Quiñones, Vasti P; Ramis-Aybar, Paola C; Burgos-Jiménez, Adriana C; González-Nieves, Karilys; Piñero-Cruz, Dalice M","New copper carboxyl-ate pyrene dimers: synthesis, crystal structure, Hirshfeld surface analysis and electrochemical characterization.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","1","9","10.1107/S2056989023010277","","","1.54184","CuKα","","0.033","0.0316","","","0.0815","0.0823","","","","","","1.046","","","","has coordinates,has Fobs","289694","2024-02-05","12:08:44",""
"2022995","10.54266","0.00013","21.8888","0.0002","12.66517","0.00015","90","","100.116","0.0011","90","","2877.26","0.06","300","2","300.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(dimethylformamide)tetrakis(μ-pyrene-1-carboxylato)dicopper(<i>Cu</i>—<i>Cu</i>)","","- C74 H50 Cu2 N2 O10 -","- C74 H50 Cu2 N2 O10 -","- C148 H100 Cu4 N4 O20 -","2","0.5","","Nogué-Guzmán, Vianca C; Burgos-Suazo, Alejandro; Rivera-Reyes, Javier O; Montes Quiñones, Vasti P; Ramis-Aybar, Paola C; Burgos-Jiménez, Adriana C; González-Nieves, Karilys; Piñero-Cruz, Dalice M","New copper carboxyl-ate pyrene dimers: synthesis, crystal structure, Hirshfeld surface analysis and electrochemical characterization.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","1","9","10.1107/S2056989023010277","","","1.54184","CuKα","","0.0374","0.0314","","","0.0875","0.0909","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","289694","2024-02-05","12:08:44",""
"2022996","15.1466","0.0008","4.5782","0.0003","10.606","0.0007","90","","116.956","0.002","90","","655.56","0.07","298","2","298","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Barium yttrium manganese telluride","","- Ba2 Mn1.71 Te5 Y0.87 -","- Ba2 Mn1.704 Te5 Y0.872 -","- Ba4 Mn3.408 Te10 Y1.744 -","2","0.25","YD3036","Yadav, Sweta; Prakash, Jai","Synthesis and crystal structure of Ba2Y0.87(1)Mn1.71(1)Te5","Acta Crystallographica Section C Structural Chemistry","2024","80","1","","","10.1107/S2053229623011099","","","0.71073","MoKα","","0.0418","0.026","","","0.0459","0.0484","","","","","","1.065","","","","has coordinates,has Fobs","288598","2024-01-02","02:22:56",""
"2022997","7.9846","0.0006","9.1982","0.0006","19.3636","0.0016","90","","90","","90","","1422.14","0.18","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4a<i>R</i>,8a<i>R</i>)-3-Phenyl-4a,5,6,7,8,8a-hexahydrobenzo[4,5]imidazo[2,1-<i>b</i>]thiazol-9-ium bromide","","- C15 H17 Br N2 S -","- C15 H17 Br N2 S -","- C60 H68 Br4 N8 S4 -","4","1","ZO3043","Savin, J. Alejandro; Ávila-Ortíz, C. Gabriela; Leyva-Ramírez, Marco Antonio; Juaristi, Eusebio","X-ray crystallographic structure of a novel enantiopure chiral isothiourea with potential applications in enantioselective synthesis","Acta Crystallographica Section C Structural Chemistry","2024","80","1","15","20","10.1107/S2053229623010781","","x-ray","0.71073","MoKα","","0.0407","0.0313","","","0.0735","0.0775","","","","","","1.097","","","","has coordinates,has Fobs","288698","2024-01-05","02:47:30",""
"2022998","5.44832","0.00009","9.03714","0.00014","26.1141","0.0004","90","","92.9914","0.0014","90","","1284.03","0.04","100","2","100","0.13","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-[6-Amino-4-(methylsulfanyl)-1,2-dihydro-1,3,5-triazin-2-ylidene]benzenesulfonamide","","- C10 H11 N5 O2 S2 -","- C10 H11 N5 O2 S2 -","- C40 H44 N20 O8 S8 -","4","1","YZ2047","Mohamed-Ezzat, Reham A; Elgemeie, Galal H.; Jones, Peter G.","An unexpected tautomer: synthesis and crystal structure of <i>N</i>-[6-amino-4-(methyl-sulfan-yl)-1,2-di-hydro-1,3,5-triazin-2-yl-idene]benzenesulfonamide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","120","124","10.1107/S2056989023011076","","x-ray","1.54184","CuKα","","0.0312","0.0306","","","0.0845","0.085","","","","","","1.047","","","","has coordinates,has Fobs","290323","2024-03-05","20:41:46",""
"2022999","8.1674","0.0005","12.3033","0.0006","15.4877","0.0008","75.226","0.005","86.412","0.004","75.346","0.005","1455.89","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[aquabis(pyridine-κ<i>N</i>)cadmium(II)]-μ~2~-4,4'-(1<i>H</i>-1,2,4-triazole-3,5-diyl)dibenzoato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''] 4.5-hydrate]","","- C26 H30 Cd N5 O9.5 -","- C26 H30 Cd N5 O9.5 -","- C52 H60 Cd2 N10 O19 -","2","1","HB8090","Popovych, Anastasiia M.; Tsymbal, Liudmyla V.; Khomenko, Dmytro M.; Bargan, Alexandra; Lampeka, Yaroslaw D.; Lampeka, Rostislav D.","Synthesis and crystal structure of a cadmium(II) coordination polymer based on 4,4'-(1<i>H</i>-1,2,4-triazole-3,5-di-yl)dibenzoate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","128","132","10.1107/S2056989024000185","","x-ray","0.71073","MoKα","","0.0758","0.0519","","","0.0899","0.0993","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","290324","2024-03-05","20:41:56",""
"2023000","7.1189","0.0002","10.9687","0.0002","13.0678","0.0003","90","","100.426","0.002","90","","1003.55","0.04","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Piperonal, thiosemicarbazone","{[(<i>E</i>)-(1,3-Benzodioxol-5-yl)methylidene]amino}thiourea","","- C9 H9 N3 O2 S -","- C9 H9 N3 O2 S -","- C36 H36 N12 O8 S4 -","4","1","NX2003","Mesto, Ernesto; Okio, Coco K. Y. A.; Lemus, Maria Alejandra; Schingaro, Emanuela","{[(<i>E</i>)-(1,3-Benzodioxol-5-yl)methyl-idene]amino}thio-urea.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","125","127","10.1107/S2056989024000033","","","0.71073","MoKα","","0.0697","0.0402","","0.1035","0.0887","0.1035","","","","","","0.9525","","","","has coordinates,has Fobs","290325","2024-03-05","20:42:09",""
"2023001","7.9481","0.0007","12.8523","0.0013","14.8737","0.0015","96.651","0.004","96.96","0.003","90.548","0.003","1497.6","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-2-[2-(2-Amino-1-cyano-2-oxoethylidene)hydrazin-1-yl]benzoic acid <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C13 H15 N5 O4 -","- C13 H15 N5 O4 -","- C52 H60 N20 O16 -","4","2","EJ2001","Hajiyeva, Sevinc R.; Huseynov, Fatali E.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-2-[2-(2-amino-1-cyano-2-oxo-ethyl-idene)hydrazin-1-yl]benzoic acid <i>N</i>,<i>N</i>-di-methylformamide monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","110","116","10.1107/S2056989023011118","","","0.71073","MoKα","","0.1068","0.0632","","","0.1445","0.1856","","","","","","1.12","","","","has coordinates,has Fobs","290330","2024-03-05","20:42:51",""
"2023002","6.9527","0.0002","19.7112","0.0006","12.2466","0.0003","90","","90","","90","","1678.35","0.08","200","0.1","200","0.1","","","","","","","","5","I b c a","-I 2b 2c","73","","Dipotassium gadolinium(III) phosphate(V) molybdate(VI)","","- Gd K2 Mo O8 P -","- Gd K2 Mo O8 P -","- Gd8 K16 Mo8 O64 P8 -","8","0.5","OI2002","Zozulia, Valeriia; Terebilenko, Kateryna; Voinalovych, Artem; Potaskalov, Vadim; Slobodyanik, Mykola","Crystal structure of a layered phosphate molybdate K<sub>2</sub>Gd(PO<sub>4</sub>)(MoO<sub>4</sub>).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","117","119","10.1107/S2056989023011106","","x-ray","0.71073","MoKα","","0.0191","0.017","","","0.0443","0.0452","","","","","","1.132","","","","has coordinates,has Fobs","290333","2024-03-05","20:43:29",""
"2023003","35.908","0.004","6.8473","0.0006","13.2661","0.0011","90","","98.915","0.004","90","","3222.4","0.5","100","0.1","100","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2-Oxo-2<i>H</i>-chromen-6-yl 4-<i>tert</i>-butylbenzoate","","- C20 H18 O4 -","- C20 H18 O4 -","- C160 H144 O32 -","8","1","HB8087","Kenfack Tsobnang, Patrice; Ziki, Eric; Siaka, Soso; Yoda, Jules; Kamal, Seham; Bouraima, Adam; Djifa Hounsi, Ayi; Wenger, Emmanuel; Bendeif, El-Eulmi; Lecomte, Claude","Synthesis, structure and Hirshfeld surface analysis of 2-oxo-2<i>H</i>-chromen-6-yl 4-<i>tert</i>-butyl-benzoate: work carried out as part of the AFRAMED project.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","106","109","10.1107/S2056989023011052","","","0.71073","MoKα","","0.0631","0.0442","","","0.1148","0.1238","","","","","","1.113","","","","has coordinates,has Fobs","290335","2024-03-05","20:43:44",""
"2023004","23.1656","0.0012","7.7041","0.0003","16.5664","0.0008","90","","110.896","0.006","90","","2762.1","0.2","291.8","0.11","292.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[hexa-μ-bromido-bis{2-[1-(pyridin-2-yl)ethylideneamino]ethanolato}\ tetracopper(II)]","","- C18 H22 Br6 Cu4 N4 O2 -","- C18 H23 Br6 Cu4 N4 O2 -","- C72 H92 Br24 Cu16 N16 O8 -","4","1","EX2076","Traoré, Bocar; Diouf, Ngoné; Kébé, Momath; Guéye-Sylla, Rokhaya; Thiam, Ibrahima Elhadji; Diouf, Ousmane; Retailleau, Pascal; Gaye, Mohamed","Crystal structure of poly[hexa-μ-bro-mido-bis{2-[1-(py-ri-din-2-yl)ethyl-idene-amino]ethanol-ato}tetracopper(II)].","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","133","136","10.1107/S2056989023011040","","","0.71073","MoKα","","0.035","0.0293","","","0.0732","0.0761","","","","","","1.021","","","","has coordinates,has disorder","290326","2024-03-05","20:42:18",""
"2023005","7.6106","0.0002","7.8024","0.0002","25.4699","0.0005","90","","90","","90","","1512.43","0.06","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Dibromidobis(2-methylpyridine <i>N</i>-oxide-κ<i>O</i>)cobalt(II)","","- C12 H14 Br2 Co N2 O2 -","- C12 H14 Br2 Co N2 O2 -","- C48 H56 Br8 Co4 N8 O8 -","4","1","YZ2048","Näther, Christian; Jess, Inke","Synthesis, crystal structure and thermal properties of di-bromido-bis-(2-methyl-pyridine <i>N</i>-oxide-κ<i>O</i>)cobalt(II).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","152","156","10.1107/S2056989024000252","","x-ray","1.54184","CuKα","","0.0363","0.0358","","","0.0929","0.0933","","","","","","1.059","","","","has coordinates,has Fobs","290328","2024-03-05","20:42:33",""
"2023006","23.612","0.003","7.2392","0.0008","7.2122","0.0007","90","","90","","90","","1232.8","0.2","150","2","150","2","","","","","","","organic","5","P c a 21","P 2c -2ac","29","","1-[(<i>E</i>)-2-(2-Fluorophenyl)diazan-1-ylidene]naphthalen-2(1<i>H</i>)-one","","- C16 H11 F N2 O -","- C16 H11 F N2 O -","- C64 H44 F4 N8 O4 -","4","1","EE2002","Akkache, Hibet Errahmane Meroua; Hamdouni, Noudjoud; Boudjada, Ali; Medjroubi, Mohamed Larbi; Mili, Assia; Jeannin, Olivier","Crystal structure, Hirshfeld surface analysis and energy frameworks of 1-[(<i>E</i>)-2-(2-fluoro-phen-yl)diazan-1-yl-idene]naphthalen-2(1<i>H</i>)-one.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","137","142","10.1107/S2056989024000227","","x-ray","0.71073","MoKα","","0.0458","0.0442","","","0.1083","0.1094","","","","","","1.081","","","","has coordinates,has Fobs","290334","2024-03-05","20:43:36",""
"2023007","10.4316","0.0007","25.1732","0.0017","7.7756","0.0005","90","","90","","90","","2041.8","0.2","150","","150","","","","","","","","","7","P n a 21","P 2c -2n","33","","5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trimethylsilyl)phenyl trifluoromethanesulfonate","","- C16 H24 B F3 O5 S Si -","- C16 H24 B F3 O5 S Si -","- C64 H96 B4 F12 O20 S4 Si4 -","4","1","DJ2074","Barnå, Fredrik; Hribersek, Matic; Orthaber, Andreas; Pilarski, Lukasz T.","Synthesis and crystal structures of boryl <i>ortho</i>-silylaryl tri-fluoro-methane-sulfonates.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","143","147","10.1107/S2056989024000264","","","0.71073","MoKα","","0.047","0.0404","","","0.0876","0.0912","","","","","","1.039","","","","has coordinates,has Fobs","290337","2024-03-05","20:44:19",""
"2023008","28.334","0.003","11.8449","0.0013","12.9139","0.0014","90","","92.723","0.002","90","","4329.2","0.8","170","","170","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trimethylsilyl)phenyl trifluoromethanesulfonate","","- C16 H24 B F3 O5 S Si -","- C16 H24 B F3 O5 S Si -","- C128 H192 B8 F24 O40 S8 Si8 -","8","1","DJ2074","Barnå, Fredrik; Hribersek, Matic; Orthaber, Andreas; Pilarski, Lukasz T.","Synthesis and crystal structures of boryl <i>ortho</i>-silylaryl tri-fluoro-methane-sulfonates.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","143","147","10.1107/S2056989024000264","","","0.71073","MoKα","","0.0646","0.0484","","","0.1278","0.1387","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","290337","2024-03-05","20:44:24",""
"2023009","10.2407","0.0008","12.6295","0.001","34.127","0.003","90","","95.689","0.002","90","","4392.1","0.6","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","2-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trimethylsilyl)phenyl trifluoromethanesulfonate","","- C17 H26 B F3 O5 S Si -","- C17 H26 B F3 O5 S Si -","- C136 H208 B8 F24 O40 S8 Si8 -","8","2","DJ2074","Barnå, Fredrik; Hribersek, Matic; Orthaber, Andreas; Pilarski, Lukasz T.","Synthesis and crystal structures of boryl <i>ortho</i>-silylaryl tri-fluoro-methane-sulfonates.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","143","147","10.1107/S2056989024000264","","","0.71073","MoKα","","0.1008","0.0715","","","0.1712","0.1856","","","","","","1.143","","","","has coordinates,has Fobs","290337","2024-03-05","20:44:25",""
"2023010","6.0356","0.0005","7.6501","0.0006","15.7851","0.0014","90","","90","","90","","728.84","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>^1^,<i>N</i>^2^-Dimethylethanedihydrazide","","- C4 H10 N4 O2 -","- C4 H10 N4 O2 -","- C16 H40 N16 O8 -","4","1","VM2294","Bibik, Yurii S.; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Raspertova, Ilona V.; Bargan, Alexandra; Lampeka, Rostyslav D.","Synthesis and crystal structure of <i>N</i><sup>1</sup>,<i>N</i><sup>2</sup>-di-methyl-ethane-dihydrazide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","148","151","10.1107/S2056989024000239","","x-ray","0.71073","MoKα","","0.068","0.0497","","","0.0846","0.0932","","","","","","1.038","","","","has coordinates,has Fobs","290339","2024-03-05","20:44:44",""
"2023011","10.3941","0.0007","11.154","0.0007","23.3489","0.0015","90","","90","","90","","2707","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene](isocyanato-κ<i>N</i>)gold(I)","","- C28 H36 Au N3 O -","- C28 H36 Au N3 O -","- C112 H144 Au4 N12 O4 -","4","1","ZV2031","Bakhoda, Abolghasem","Synthesis and crystal structure of [1,3-bis-(2,6-diiso-propyl-phen-yl)imidazol-2-yl-idene](iso-cyanato-κ<i>N</i>)gold(I).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","166","168","10.1107/S205698902400046X","","","0.71073","MoKα","","0.0131","0.0127","","","0.0244","0.0246","","","","","","1.111","","","","has coordinates,has Fobs","290329","2024-03-05","20:42:42",""
"2023012","6.4068","0.0003","25.2542","0.0015","9.3395","0.0004","90","","103.946","0.004","90","","1466.58","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(4-methylpiperidine-κ<i>N</i>)gold(I) chloride","","- C12 H26 Au Cl N2 -","- C12 H26 Au Cl N2 -","- C48 H104 Au4 Cl4 N8 -","4","1","YZ2046","Döring, Cindy; Jones, Peter G.","Crystal structures of five gold(I) complexes with methyl-piperidine ligands.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","157","165","10.1107/S2056989023010940","","","0.71073","MoKα","","0.0446","0.0326","","","0.0462","0.0482","","","","","","1.157","","","","has coordinates,has Fobs","290331","2024-03-05","20:43:13",""
"2023013","9.6998","0.0007","9.7001","0.0008","10.7194","0.0005","102.218","0.006","101.893","0.005","114.695","0.008","844.89","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(4-methylpiperidine-κ<i>N</i>)gold(I) dichloridoaurate(I)","","- C12 H26 Au2 Cl2 N2 -","- C12 H26 Au2 Cl2 N2 -","- C24 H52 Au4 Cl4 N4 -","2","1","YZ2046","Döring, Cindy; Jones, Peter G.","Crystal structures of five gold(I) complexes with methyl-piperidine ligands.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","157","165","10.1107/S2056989023010940","","","0.71073","MoKα","","0.0313","0.0286","","","0.0614","0.0635","","","","","","1.126","","","","has coordinates,has Fobs","290331","2024-03-05","20:43:13",""
"2023014","9.8461","0.0006","9.7728","0.0004","10.9461","0.0005","100.136","0.004","103.685","0.005","116.287","0.005","868.58","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(4-methylpiperidine-κ<i>N</i>)gold(I) dibromidoaurate(I)","","- C12 H26 Au2 Br2 N2 -","- C12 H26 Au2 Br2 N2 -","- C24 H52 Au4 Br4 N4 -","2","1","YZ2046","Döring, Cindy; Jones, Peter G.","Crystal structures of five gold(I) complexes with methyl-piperidine ligands.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","157","165","10.1107/S2056989023010940","","","0.71073","MoKα","","0.0334","0.0232","","","0.0385","0.0409","","","","","","1.045","","","","has coordinates,has Fobs","290331","2024-03-05","20:43:13",""
"2023015","20.5785","0.0007","16.0876","0.0004","18.2247","0.0007","90","","116.196","0.005","90","","5413.7","0.4","101","2","101","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Chlorido(4-methylpiperidine-κ<i>N</i>)gold(I) bis(4-methylpiperidine-κ<i>N</i>)gold(I) chloride dichloromethane monosolvate","","- C19 H41 Au2 Cl4 N3 -","- C19 H41 Au2 Cl4 N3 -","- C152 H328 Au16 Cl32 N24 -","8","2","YZ2046","Döring, Cindy; Jones, Peter G.","Crystal structures of five gold(I) complexes with methyl-piperidine ligands.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","157","165","10.1107/S2056989023010940","","","0.71073","MoKα","","0.0535","0.0402","","","0.0645","0.0699","","","","","","1.094","","","","has coordinates,has Fobs","290331","2024-03-05","20:43:13",""
"2023016","17.6978","0.0007","11.2748","0.0005","16.562","0.0006","90","","114.013","0.005","90","","3018.8","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(2-methylpiperidine-κ<i>N</i>)gold(I) chloride","","- C12 H26 Au Cl N2 -","- C12 H26 Au Cl N2 -","- C96 H208 Au8 Cl8 N16 -","8","1","YZ2046","Döring, Cindy; Jones, Peter G.","Crystal structures of five gold(I) complexes with methyl-piperidine ligands.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","157","165","10.1107/S2056989023010940","","","0.71073","MoKα","","0.059","0.0285","","","0.0431","0.0487","","","","","","1.09","","","","has coordinates,has Fobs","290331","2024-03-05","20:43:13",""
"2023017","14.0021","0.0003","14.0021","0.0003","63.523","0.003","90","","90","","120","","10785.7","0.6","296","2","296","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C66 H44 Cu3 Eu2 N18 O31 -","- C66 H42 Cu3 Eu2 N18 O30 -","- C396 H252 Cu18 Eu12 N108 O180 -","6","0.166667","OC3022","Yang, Ke; Yang, Yuting; Yao, Ziqin; Cheng, Sisi; Cui, Xue; Wang, Xingyi; Han, Yi; Yi, Feiyan; Mo, Guang","High-pressure study of a 3d–4f heterometallic CuEu–organic skeleton","Acta Crystallographica Section C Structural Chemistry","2024","80","2","49","55","10.1107/S205322962400010X","","","0.71073","MoKα","","0.0377","0.0296","","","0.0856","0.0912","","","","","","1.075","","","","has coordinates","289254","2024-02-01","03:03:25",""
"2023018","27.4898","0.0004","5.9436","0.0001","32.0473","0.0005","90","","93.854","0.001","90","","5224.32","0.14","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Poly[[triaquabis(μ~4~-phthalato)(μ~3~-pyridine-2,5-dicarboxylato)dipraseodymium] monohydrate]","","- C23 H19 N O16 Pr2 -","- C23 H19 N O16 Pr2 -","- C184 H152 N8 O128 Pr16 -","8","1","JW2002","Yotnoi, Bunlawee; Rujiwatra, Apinpus","Crystal structure and characterization of a new lanthanide coordination polymer, [Pr<sub>2</sub>(pydc)(phth)<sub>2</sub>(H<sub>2</sub>O)<sub>3</sub>]·H<sub>2</sub>O.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","228","231","10.1107/S2056989024000872","","x-ray","0.71073","MoKα","","0.0361","0.0314","","","0.0778","0.0807","","","","","","1.046","","","","has coordinates,has Fobs","290327","2024-03-05","20:42:27",""
"2023019","9.1397","0.0002","9.4879","0.0002","10.0063","0.0002","79.554","0.001","63.787","0.001","83.054","0.001","764.75","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-cyano-3-(3-hydroxy-5-methyl-1<i>H</i>-pyrazol-4-yl)-3-phenylpropanoate","","- C16 H17 N3 O3 -","- C16 H17 N3 O3 -","- C32 H34 N6 O6 -","2","1","NY2002","Ait Elmachkouri, Younesse; Irrou, Ezaddine; El Monfalouti, Hanae; Mazzah, Ahmed; Hökelek, Tuncer; Mague, Joel T.; Taha, Mohamed Labd; Sebbar, Nada Kheira","Crystal structure, Hirshfeld surface analysis, crystal voids, inter-action energy calculations and energy frameworks and DFT calculations of ethyl 2-cyano-3-(3-hy-droxy-5-methyl-1<i>H</i>-pyrazol-4-yl)-3-phen-yl-propano-ate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","240","246","10.1107/S2056989024000744","","","1.54178","CuKα","","0.0703","0.0476","","","0.1134","0.1271","","","","","","1.044","","","","has coordinates,has Fobs","290332","2024-03-05","20:43:22",""
"2023020","9.842","0.0002","6.9145","0.0002","11.1807","0.0002","90","","93.618","0.002","90","","759.36","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(2-Chloroethyl)-5-methyl-1,2-dihydropyrazol-3-one","","- C6 H9 Cl N2 O -","- C6 H9 Cl N2 O -","- C24 H36 Cl4 N8 O4 -","4","1","NX2004","Naghiyev, Farid N.; Khrustalev, Victor N.; Akkurt, Mehmet; Dukhnovsky, Evgeny A.; Bhattarai, Ajaya; Khalilov, Ali N.; Mamedov, İbrahim G","Crystal structure and Hirshfeld surface analysis of 4-(2-chloro-eth-yl)-5-methyl-1,2-di-hydro-pyrazol-3-one.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","223","227","10.1107/S2056989024000835","","","1.54184","CuKα","","0.0366","0.0356","","","0.0964","0.0972","","","","","","1.048","","","","has coordinates,has Fobs","290336","2024-03-05","20:44:01",""
"2023021","6.6126","0.0004","4.868","0.0003","38.924","0.002","90","","94.118","0.002","90","","1249.73","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-Methylbenzyl)indoline-2,3-dione","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","JP2002","Rharmili, Nohaila; Abdellaoui, Omar; Ouazzani Chahdi, Fouad; Mague, Joel T.; Hökelek, Tuncer; Mazzah, Ahmed; Kandri Rodi, Youssef; Sebbar, Nada Kheira","Crystal structure, Hirshfeld surface analysis, crystal voids, inter-action energy calculations and energy frameworks, and DFT calculations of 1-(4-methyl-benz-yl)in-do-line-2,3-dione.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","232","239","10.1107/S2056989024000756","","","0.71073","MoKα","","0.082","0.0538","","","0.1231","0.1368","","","","","","1.026","","","","has coordinates,has Fobs","290338","2024-03-05","20:44:33",""
"2023022","8.0175","0.001","11.3134","0.0014","17.408","0.002","95.099","0.002","99.963","0.002","96.414","0.002","1536","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","(<i>Z</i>)-<i>N</i>-[Chloro[(4-ferrocenylphenyl)imino]methyl]-\ 4-ferrocenylaniline <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C36 H34 Cl Fe2 N3 O -","- C36 H34 Cl Fe2 N3 O -","- C72 H68 Cl2 Fe4 N6 O2 -","2","1","OX2002","Sghyar, Riham; Bentama, Abdeslem; Haoudi, Amal; Mazzah, Ahmed; Mague, Joel T.; Hökelek, Tuncer; El Hadrami, El Mestafa; Sebbar, Nada Kheira","Crystal structure and Hirshfeld surface analysis of (<i>Z</i>)-<i>N</i>-{chloro-[(4-ferrocenylphen-yl)imino]-meth-yl}-4-ferrocenylaniline <i>N</i>,<i>N</i>-di-methyl-formamide monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","262","266","10.1107/S2056989024001002","","","0.71073","MoKα","","0.0723","0.0465","","","0.1152","0.131","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","291118","2024-04-05","23:42:49",""
"2023023","14.331","0.005","7.769","0.005","17.558","0.005","90","","91.969","0.005","90","","1953.7","1.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","<i>N</i>-(2-Nitrophenyl)maleimide","1-(2-Nitrophenyl)pyrrole-2,5-dione","","- C10 H6 N2 O4 -","- C10 H6 N2 O4 -","- C80 H48 N16 O32 -","8","2","VU2003","Montoya-Garcia, Maribel; Cortes-Hernandez, Héctor; D'Vries, Richard; Valencia-Sanchez, Hoover","Crystal structure, Hirshfeld surface analysis and DFT study of <i>N</i>-(2-nitro-phen-yl)male-imide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","256","261","10.1107/S2056989024000926","","","0.71073","MoKα","","0.0873","0.0479","","","0.0988","0.1215","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","291120","2024-04-05","23:43:06",""
"2023024","7.1291","0.0002","7.1662","0.0002","11.0151","0.0003","77.704","0.001","80.079","0.001","72.371","0.001","520.49","0.03","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","[4-(2-Aminoethyl)morpholine-κ^2^<i>N</i>,<i>N</i>']dibromidocadmium(II)","","- C6 H14 Br2 Cd N2 O -","- C6 H14 Br2 Cd N2 O -","- C12 H28 Br4 Cd2 N4 O2 -","2","1","JQ2033","Chidambaranathan, B.; Sivaraj, S.; Vijayamathubalan, P.; Abraham Rajasekar, S.; Selvakumar, S.","[4-(2-Aminoethyl)morpholine-κ<sup>2</sup><i>N</i>,<i>N</i>']di-bromidocadmium(II): synthesis, crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","271","276","10.1107/S2056989024000963","","","0.71073","MoKα","","0.025","0.0241","","","0.0583","0.0591","","","","","","1.075","","","","has coordinates,has Fobs","291114","2024-04-05","23:41:59",""
"2023025","19.705","0.003","15.389","0.002","14.1279","0.0019","90","","113.801","0.004","90","","3919.8","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Methyl 4-[4-(difluoromethoxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C21 H23 F2 N O4 -","- C21 H23 F2 N O4 -","- C168 H184 F16 N8 O32 -","8","1","JY2044","Yıldırım, Sema Öztürk; Akkurt, Mehmet; Pehlivanlar, Ezgi; Çetin, Gökalp; Şimşek, Rahime; Butcher, Ray J.; Bhattarai, Ajaya","Syntheses, characterizations, crystal structures and Hirshfeld surface analyses of methyl 4-[4-(di-fluorometh-oxy)phen-yl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate, isopropyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate and <i>tert</i>-butyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","281","288","10.1107/S2056989024001233","","","0.71073","MoKα","","0.1111","0.0726","","","0.1612","0.1864","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","291117","2024-04-05","23:42:37",""
"2023026","12.255","0.003","15.694","0.003","21.903","0.004","90","","90","","90","","4212.6","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Isopropyl 4-[4-(difluoromethoxy)phenyl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C23 H27 F2 N O4 -","- C23 H27 F2 N O4 -","- C184 H216 F16 N8 O32 -","8","1","JY2044","Yıldırım, Sema Öztürk; Akkurt, Mehmet; Pehlivanlar, Ezgi; Çetin, Gökalp; Şimşek, Rahime; Butcher, Ray J.; Bhattarai, Ajaya","Syntheses, characterizations, crystal structures and Hirshfeld surface analyses of methyl 4-[4-(di-fluorometh-oxy)phen-yl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate, isopropyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate and <i>tert</i>-butyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","281","288","10.1107/S2056989024001233","","","0.71073","MoKα","","0.0697","0.0504","","","0.1192","0.1284","","","","","","1.025","","","","has coordinates,has Fobs","291117","2024-04-05","23:42:40",""
"2023027","12.4094","0.0008","15.9871","0.0012","21.9629","0.0015","90","","90","","90","","4357.2","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>tert</i>-Butyl 4-[4-(difluoromethoxy)phenyl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C24 H29 F2 N O4 -","- C24 H29 F2 N O4 -","- C192 H232 F16 N8 O32 -","8","1","JY2044","Yıldırım, Sema Öztürk; Akkurt, Mehmet; Pehlivanlar, Ezgi; Çetin, Gökalp; Şimşek, Rahime; Butcher, Ray J.; Bhattarai, Ajaya","Syntheses, characterizations, crystal structures and Hirshfeld surface analyses of methyl 4-[4-(di-fluorometh-oxy)phen-yl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate, isopropyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate and <i>tert</i>-butyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","281","288","10.1107/S2056989024001233","","","0.71073","MoKα","","0.0874","0.0588","","","0.1474","0.1632","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","291117","2024-04-05","23:42:40",""
"2023028","7.685","0.0004","9.4135","0.0004","13.9147","0.0007","105.609","0.002","101.103","0.002","96.253","0.002","937.5","0.08","298","","298","","","","","","","","","5","P -1","-P 1","2","","Diethylammonium dioxido{<i>Z</i>)-<i>N</i>-[(pyridin-2-yl)carbonylazanidyl]pyridine-2-carboximidato}vanadate(1-) monohydrate","","- C16 H22 N5 O5 V -","- C16 H22 N5 O5 V -","- C32 H44 N10 O10 V2 -","2","1","EV2002","Mondal, Bipul","Crystal structure of di-ethyl-ammonium dioxido{<i>Z</i>)-<i>N</i>-[(pyri-din-2-yl)car-bon-yl-azan-idyl]pyri-dine-2-car-box-imid-ato}vana-date(1-) monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","277","280","10.1107/S2056989024001166","","","0.71073","MoKα","","0.0596","0.0382","","","0.0949","0.1096","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","291121","2024-04-05","23:43:15",""
"2023029","11.5512","0.0007","24.4768","0.0014","12.8355","0.0006","90","","115.742","0.002","90","","3268.9","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[tetrakis(μ-2-formyl-6-methoxyphenolato)samarium(III)sodium(I)]","","- C32 H28 Na O12 Sm -","- C32 H28 Na O12 Sm -","- C128 H112 Na4 O48 Sm4 -","4","1","OO2002","Hastings, Ashley M.; Williams, Ashley; Surbella Iii, Robert G.; Hixon, Amy E.; Arteaga, Ana","Structural characterization of a new samarium-sodium heterometallic coordination polymer.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","267","270","10.1107/S2056989024001051","","","0.71073","MoKα","","0.0803","0.0502","","","0.0956","0.1083","","","","","","1.019","","","","has coordinates,has Fobs","291125","2024-04-05","23:44:05",""
"2023030","9.054","0.011","15.015","0.015","30.93","0.03","90","","94.1","0.03","90","","4194","8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(Propan-2-yl)-1,2,4-[1,2,4]selenadiazolo[4,5-<i>a</i>]pyridin-4-ylium chloride","","- C9 H11 Cl N2 Se -","- C9 H11 Cl N2 Se -","- C144 H176 Cl16 N32 Se16 -","16","4","EX2079","Temesgen, Ayalew W.; Sapronov, Alexander A.; Kubasov, Alexey S.; Novikov, Alexander S.; Le, Tuan Anh; Tskhovrebov, Alexander G.","Synthesis and crystal structure of the adduct between 2-pyridyl-selenyl chloride and isobutyro-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","247","251","10.1107/S2056989024000938","","","0.71073","MoKα","","0.1261","0.0797","","","0.1735","0.1917","","","","","","1.104","","","","has coordinates,has Fobs","291126","2024-04-05","23:44:13",""
"2023031","9.9014","0.0005","10.7214","0.0006","11.9401","0.0006","69.789","0.003","71.074","0.003","66.439","0.003","1064.45","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[sodium-μ~3~-2-[(4-methanesulfonyl-2-nitrophenyl)carbonyl]-3-oxocyclohex-1-en-1-olato] ethanol monosolvate]","","- C18 H24 N Na O9 S -","- C18 H24 N Na O9 S -","- C36 H48 N2 Na2 O18 S2 -","2","1","OI2003","Bereziuk, Olha; Gubina, Kateryna; Trush, Viktor; Ovchynnikov, Vladimir","Crystal structure of the sodium salt of mesotrione: a triketone herbicide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","296","299","10.1107/S2056989024001439","","","0.71073","MoKα","","0.071","0.0496","","","0.1207","0.1333","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","291116","2024-04-05","23:42:21",""
"2023032","8.78308","0.00012","11.66215","0.00016","11.00169","0.00015","90","","97.946","0.0012","90","","1116.08","0.03","100","2","100","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(Benzo[<i>d</i>]thiazol-2-yl)-1,2-dimethyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","","- C12 H11 N3 O S -","- C12 H11 N3 O S -","- C48 H44 N12 O4 S4 -","4","1","YZ2050","Elboshi, Heba A.; Azzam, Rasha A.; Elgemeie, Galal H.; Jones, Peter G.","Crystal structure of 4-(benzo[<i>d</i>]thia-zol-2-yl)-1,2-dimethyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","289","291","10.1107/S2056989024001257","","x-ray","1.54184","CuKα","","0.0307","0.0299","","","0.0807","0.0814","","","","","","1.068","","","","has coordinates,has Fobs","291119","2024-04-05","23:42:58",""
"2023033","24.3443","0.00007","24.3443","","14.55212","0.00004","90","","90","","120","","7468.81","0.03","295","","295","","","","","","","","","4","R 3 :H","R 3","146","omadacycline dihydrate","(4<i>S</i>,4a<i>S</i>,5a<i>R</i>,12a<i>R</i>)-4,7-Bis(dimethylamino)-9-[(2,2-dimethylpropylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4<i>H</i>-tetracene-2-carboxamide dihydrate","","- C29 H40 N4 O8.961 -","- C29 H40 N4 O8.96367 -","- C261 H360 N36 O80.673 -","9","1","HB8082","Kaduk, James A.; Boaz, Nicholas C.; Gates-Rector, Stacy; Gindhart, Amy M.; Blanton, Thomas N.","Omadacycline dihydrate, C<sub>29</sub>H<sub>40</sub>N<sub>4</sub>O<sub>7</sub>·2H<sub>2</sub>O, from X-ray powder diffraction data.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","292","295","10.1107/S2056989024001403","powder diffraction","x-ray","0.45813","synchrotron","","","","","","0.06233","","","","1.47","","","","","","","has coordinates","291123","2024-04-05","23:43:46",""
"2023034","8.8038","0.0006","10.2277","0.0007","14.0937","0.001","90.262","0.001","96.63","0.001","108.395","0.001","1195","0.14","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3-Phenyl-1-{3-[(3-phenylquinoxalin-2-yl)oxy]propyl}-1,2-dihydroquinoxalin-2-one","","- C31 H24 N4 O2 -","- C31 H24 N4 O2 -","- C62 H48 N8 O4 -","2","1","VM2295","Abad, Nadeem; Mague, Joel T.; Alsubari, Abdulsalam; Essassi, El Mokhtar; Alzahrani, Abdullah Yahya Abdullah; Ramli, Youssef","Crystal structure and Hirshfeld surface analysis of 3-phenyl-1-{3-[(3-phenyl-quinoxalin-2-yl)-oxy]prop-yl}-1,2-di-hydro-quinoxalin-2-one.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","300","304","10.1107/S2056989024001518","","","0.71073","MoKα","","0.0609","0.0454","","","0.1212","0.1291","","","","","","1.015","","","","has coordinates,has Fobs","291110","2024-04-05","23:41:22",""
"2023035","11.0276","0.001","10.7661","0.0008","19.635","0.002","90","","91.792","0.009","90","","2330","0.4","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetraethylammonium <i>N</i>-methanesulfonyl-4-nitro-2-phenoxyanilinide","","- C21 H31 N3 O5 S -","- C21 H31 N3 O5 S -","- C84 H124 N12 O20 S4 -","4","1","DX2059","Rybczyńska, Małgorzata; Sikorski, Artur","Crystal structure of the tetra-ethyl-ammonium salt of the non-steroidal anti-inflammatory drug nimesulide (polymorph II).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","314","317","10.1107/S2056989024001300","","","0.71073","MoKα","","0.121","0.0657","","","0.1074","0.1277","","","","","","1.097","","","","has coordinates,has Fobs","291111","2024-04-05","23:41:31",""
"2023036","7.166","0.002","7.686","0.003","12.172","0.004","95.473","0.016","105.226","0.012","113.116","0.013","579.9","0.3","100","2","100","","","","","","","","","4","P -1","-P 1","2","","2-(2-Azidophenyl)-3-oxo-3<i>H</i>-indole 1-oxide","","- C14 H8 N4 O2 -","- C14 H8 N4 O2 -","- C28 H16 N8 O4 -","2","1","DX2056","Dhote, Pawan; Tothadi, Srinu; Ramana, Chepuri V.","Synthesis, characterization, and crystal structure of 2-(2-azido-phen-yl)-3-oxo-3<i>H</i>-indole 1-oxide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","310","313","10.1107/S2056989024001440","","","0.71073","MoKα","","0.0568","0.0422","","","0.1131","0.122","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","291112","2024-04-05","23:41:40",""
"2023037","5.63465","0.00003","18.02763","0.00013","18.40115","0.00012","90","","97.1649","0.0006","90","","1854.58","0.02","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Oxo-3-phenyl-2-sulfanylidene-5-(thiophen-2-yl)-3,4,7,8,9,10-hexahydro-2<i>H</i>-pyrido[1,6-<i>a</i>:2,3-<i>d</i>']dipyrimidine-6-carbonitrile","","- C21 H15 N5 O S2 -","- C21 H15 N5 O S2 -","- C84 H60 N20 O4 S8 -","4","1","TX2082","Naghiyev, Farid N.; Khrustalev, Victor N.; Akkurt, Mehmet; Mamedov, Huseyn M.; Bhattarai, Ajaya; Khalilov, Ali N.; Mamedov, İbrahim G","Crystal structure and Hirshfeld surface analysis of 4-oxo-3-phenyl-2-sulfanyl-idene-5-(thio-phen-2-yl)-3,4,7,8,9,10-hexa-hydro-2<i>H</i>-pyrido[1,6-<i>a</i>:2,3-<i>d</i>']di-pyrimidine-6-carbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","325","329","10.1107/S2056989024001658","","","1.54184","CuKα","","0.0474","0.0468","","","0.1296","0.13","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","291113","2024-04-05","23:41:50",""
"2023038","12.6809","0.0009","12.1217","0.0009","17.7335","0.0013","90","","105.767","0.0015","90","","2623.3","0.3","100","0.5","100","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Bis[1-oxopyridin-2-olato(1-)]bis(pentafluorophenyl)silicon(IV)–tetrahydrofuran–pentane (2/1/1)","Bis[1-oxopyridin-2-olato(1-)]bis(pentafluorophenyl)silicon(IV)–tetrahydrofuran–pentane (2/1/1)","","- C26.5 H18 F10 N2 O4.5 Si -","- C26.5 H18 F10 N2 O4.5 Si -","- C106 H72 F40 N8 O18 Si4 -","4","1","EE2004","Kraft, Bradley M.; Brennessel, William W.; Andrews, Jordan W.; Viggiani, Michael T.; Kittrell, Nathan F.; Heckman, Matthew T.","Synthesis and crystal structures of bis-[1-oxopyridin-2-olato(1-)]bis-(penta-fluoro-phen-yl)silicon(IV)-tetra-hydro-furan-pentane (2/1/1), bis-[1-oxopyridin-2-olato(1-)]bis-(<i>p</i>-tol-yl)silicon(IV), and dimesitylbis[1-oxopyridin-2-olato(1-)]silicon(IV).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","318","324","10.1107/S2056989024001543","","","0.71073","MoKα","","0.0817","0.0513","","","0.1448","0.1629","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","291115","2024-04-05","23:42:12",""
"2023039","8.5662","0.0008","8.8343","0.0008","14.7801","0.0014","93.057","0.002","105.372","0.0019","106.757","0.0018","1022.45","0.17","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","Bis[1-oxopyridin-2-olato(1-)]bis(<i>p</i>-tolyl)silicon(IV)","Bis[1-oxopyridin-2-olato(1-)]bis(4-mwthylphenyl)silicon(IV)","","- C24 H22 N2 O4 Si -","- C24 H22 N2 O4 Si -","- C48 H44 N4 O8 Si2 -","2","1","EE2004","Kraft, Bradley M.; Brennessel, William W.; Andrews, Jordan W.; Viggiani, Michael T.; Kittrell, Nathan F.; Heckman, Matthew T.","Synthesis and crystal structures of bis-[1-oxopyridin-2-olato(1-)]bis-(penta-fluoro-phen-yl)silicon(IV)-tetra-hydro-furan-pentane (2/1/1), bis-[1-oxopyridin-2-olato(1-)]bis-(<i>p</i>-tol-yl)silicon(IV), and dimesitylbis[1-oxopyridin-2-olato(1-)]silicon(IV).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","318","324","10.1107/S2056989024001543","","","0.71073","MoKα","","0.0887","0.0541","","","0.1318","0.1487","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","291115","2024-04-05","23:42:13",""
"2023040","12.571","0.0002","12.68898","0.00019","15.358","0.0002","90","","90","","90","","2449.8","0.06","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Bis[1-oxopyridin-2-olato(1-)]bis(2,4,6-trimethylphenyl)silicon(IV)","Dimesitylbis[1-oxopyridin-2-olato(1-)]silicon(IV)","","- C28 H30 N2 O4 Si -","- C28 H30 N2 O4 Si -","- C112 H120 N8 O16 Si4 -","4","1","EE2004","Kraft, Bradley M.; Brennessel, William W.; Andrews, Jordan W.; Viggiani, Michael T.; Kittrell, Nathan F.; Heckman, Matthew T.","Synthesis and crystal structures of bis-[1-oxopyridin-2-olato(1-)]bis-(penta-fluoro-phen-yl)silicon(IV)-tetra-hydro-furan-pentane (2/1/1), bis-[1-oxopyridin-2-olato(1-)]bis-(<i>p</i>-tol-yl)silicon(IV), and dimesitylbis[1-oxopyridin-2-olato(1-)]silicon(IV).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","318","324","10.1107/S2056989024001543","","x-ray","1.54184","CuKα","","0.0342","0.0316","","","0.0775","0.0787","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","291115","2024-04-05","23:42:13",""
"2023041","8.5784","0.0003","14.4797","0.0005","13.6961","0.0005","90","","96.052","0.004","90","","1691.75","0.1","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","(<i>S</i>)-8-{[(<i>tert</i>-Butyldimethylsilyl)oxy]methyl}-1-[(2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yl)sulfonyl]-1,3,4,6,7,8-hexahydro-2<i>H</i>-pyrimido[1,2-<i>a</i>]pyrimidin-1-ium triflate","(<i>S</i>)-8-{[(<i>tert</i>-Butyldimethylsilyl)oxy]methyl}-1-[(2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yl)sulfonyl]-1,3,4,6,7,8-hexahydro-2<i>H</i>-pyrimido[1,2-<i>a</i>]pyrimidin-1-ium trifluoromethanesulfonate","","- C28 H46 F3 N3 O7 S2 Si -","- C28 H46 F3 N3 O7 S2 Si -","- C56 H92 F6 N6 O14 S4 Si2 -","2","1","DJ2073","Alaboosh, Jamal M. H.; Hill, Steven P.; Kariuki, Benson M.; Redman, James E.","Crystal structures of sulfonamide protected bicyclic guanidines: (<i>S</i>)-8-{[(<i>tert</i>-butyl-dimethyl-sil-yl)-oxy]meth-yl}-1-[(2,2,4,6,7-penta-methyl-2,3-di-hydro-benzo-furan-5-yl)sulfon-yl]-1,3,4,6,7,8-hexa-hydro-2<i>H</i>-pyrimido[1,2-<i>a</i>]pyrimidin-1-ium tri-fluoro-methane-sulfonate and (<i>S</i>)-8-(iodo-meth-yl)-1-tosyl-1,3,4,6,7,8-hexa-hydro-2<i>H</i>-pyrimido[1,2-<i>a</i>]pyrimidin-1-ium iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","305","309","10.1107/S2056989024001129","","","1.54184","CuKα","","0.0388","0.0368","","","0.0949","0.0971","","","","","","1.021","","","","has coordinates,has Fobs","291124","2024-04-05","23:43:55",""
"2023042","6.6117","0.0002","10.1482","0.0002","28.1444","0.0009","90","","90","","90","","1888.4","0.09","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(<i>S</i>)-8-(Iodomethyl)-1-tosyl-1,3,4,6,7,8-hexahydro-2<i>H</i>-pyrimido[1,2-<i>a</i>]pyrimidin-1-ium iodide","(<i>S</i>)-8-(Iodomethyl)-1-4-(methylbenzenesulfonyl)-1,3,4,6,7,8-hexahydro-2<i>H</i>-pyrimido[1,2-<i>a</i>]pyrimidin-1-ium iodide","","- C15 H21 I2 N3 O2 S -","- C15 H21 I2 N3 O2 S -","- C60 H84 I8 N12 O8 S4 -","4","1","DJ2073","Alaboosh, Jamal M. H.; Hill, Steven P.; Kariuki, Benson M.; Redman, James E.","Crystal structures of sulfonamide protected bicyclic guanidines: (<i>S</i>)-8-{[(<i>tert</i>-butyl-dimethyl-sil-yl)-oxy]meth-yl}-1-[(2,2,4,6,7-penta-methyl-2,3-di-hydro-benzo-furan-5-yl)sulfon-yl]-1,3,4,6,7,8-hexa-hydro-2<i>H</i>-pyrimido[1,2-<i>a</i>]pyrimidin-1-ium tri-fluoro-methane-sulfonate and (<i>S</i>)-8-(iodo-meth-yl)-1-tosyl-1,3,4,6,7,8-hexa-hydro-2<i>H</i>-pyrimido[1,2-<i>a</i>]pyrimidin-1-ium iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","305","309","10.1107/S2056989024001129","","","0.71073","MoKα","","0.0359","0.0308","","","0.0693","0.0715","","","","","","1.042","","","","has coordinates,has Fobs","291124","2024-04-05","23:43:56",""
"2023043","6.9143","0.0014","6.2111","0.0012","17.169","0.003","90","","90.05","0.03","90","","737.3","0.2","100","","100","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","<i>catena</i>-Poly[[[aquacopper(II)]-bis(μ-4-aminobenzoato)-κ^2^<i>N</i>:<i>O</i>;κ^2^<i>O</i>:<i>N</i>] monohydrate]","","- C14 H16 Cu N2 O6 -","- C14 H16 Cu N2 O6 -","- C28 H32 Cu2 N4 O12 -","2","0.5","ZV2032","Gogia, Alisha; Novikov, Egor M.; Guzei, Ilia A.; Fonari, Marina S.; Timofeeva, Tatiana V.","Crystal structure and characterization of a new one-dimensional copper(II) coordination polymer containing a 4-amino-benzoic acid ligand.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","330","334","10.1107/S2056989024001336","","x-ray","0.71073","MoKα","","0.0391","0.0329","","","0.0838","0.0865","","","","","","1.087","","","","has coordinates,has disorder,has Fobs","291127","2024-04-05","23:44:20",""
"2023044","10.299","0.0017","11.734","0.002","12.846","0.002","87.275","0.003","88.918","0.003","72.096","0.002","1475.6","0.4","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ-2-hydroxy-3,5-diisopropylbenzoato)bis[(dimethyl sulfoxide)copper(II)]","","- C56 H80 Cu2 O14 S2 -","- C56 H80 Cu2 O14 S2 -","- C56 H80 Cu2 O14 S2 -","1","0.5","EV2003","Shlian, Daniel G.; Summers, Rachael H.; Martinez, Katelyn; Upmacis, Rita K.","Crystal structure of tetra-kis-(μ-2-hy-droxy-3,5-di-isoprop-yl-benzoato)bis-[(dimethyl sulfoxide)copper(II)].","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","335","338","10.1107/S205698902400166X","","","0.71073","MoKα","","0.0719","0.0474","","","0.1168","0.1299","","","","","","1.086","","","","has coordinates,has disorder","291109","2024-04-05","23:41:13",""
"2023045","16.8662","0.0015","12.8555","0.0011","18.7561","0.0016","90","","90","","90","","4066.8","0.6","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","13203z","1-{4-[Bis(4-methylphenyl)amino]phenyl}ethene-1,2,2-tricarbonitrile","","- C25 H18 N4 -","- C25 H18 N4 -","- C200 H144 N32 -","8","1","NX2005","Bader, Mamoun M.; Pham, Phuong-Truc","Crystal structure of 1-{4-[bis-(4-methyl-phen-yl)amino]-phen-yl}ethene-1,2,2-tricarbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","339","342","10.1107/S2056989024001804","","","0.71073","MoKα","","0.0902","0.0482","","","0.1032","0.1245","","","","","","1.019","","","","has coordinates","291122","2024-04-05","23:43:24",""
"2023046","8.7253","0.0008","14.3482","0.0014","14.0718","0.0013","90","","104.76","0.002","90","","1703.5","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Trichlorido(1,4,11-triaza-8-azoniatetracyclo[6.6.2.0^4,16^.0^11,15^]hexadecane 1-oxide-κ<i>O</i>)zinc(II) monohydrate","","- C12 H25 Cl3 N4 O2 Zn -","- C12 H25 Cl3 N4 O2 Zn -","- C48 H100 Cl12 N16 O8 Zn4 -","4","1","PK2704","Hubin, Daniel J.; Cunningham, Blue M.; Hubin, Timothy J.; Ebel, Jonathan P.; Krause, Jeanette A.; Oliver, Allen G.","The unanti-cipated oxidation of a tertiary amine in a tetra-cyclic glyoxal-cyclam condensate yielding zinc(II) coordinated to a sterically hindered amine oxide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","343","346","10.1107/S2056989024001889","","","0.71073","MoKα","","0.0335","0.0237","","","0.0522","0.0556","","","","","","1.012","","","","has coordinates,has disorder","291718","2024-05-06","04:19:49",""
"2023047","8.7649","0.0014","6.8899","0.0011","10.6868","0.0018","90","","104.676","0.004","90","","624.31","0.18","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","<i>N</i>-(6-Acetyl-1-nitronaphthalen-2-yl)acetamide","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C28 H24 N4 O8 -","2","0.5","ZN2035","Shi, Xin-Wei; Zheng, Shao-Jun; Lu, Qiang-Qiang; Li, Gen; Zhou, Ya-Fu","Synthesis, crystal structure and Hirshfeld surface analysis of <i>N</i>-(6-acetyl-1-nitro-naphthalen-2-yl)acetamide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","347","350","10.1107/S2056989024001609","","","0.71073","MoKα","","0.0479","0.043","","","0.1188","0.1237","","","","","","1.073","","","","has coordinates","291728","2024-05-06","04:21:49",""
"2023048","20.5406","0.0009","13.7457","0.0005","10.565","0.0003","90","","107.006","0.004","90","","2852.54","0.19","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","<i>N</i>-(4-methoxyphenyl)-5-(pyridin-4-yl)-1,3,4-oxadiazol-2-amine hemihydrochloride monohydrate","<i>N</i>-(4-Methoxyphenyl)-5-(pyridin-4-yl)-1,3,4-oxadiazol-2-amine 4-{5-[(4-methoxyphenyl)amino]-1,3,4-oxadiazol-2-yl}pyridin-1-ium chloride dihydrate","","- C28 H29 Cl N8 O6 -","- C28 H29 Cl N8 O6 -","- C112 H116 Cl4 N32 O24 -","4","0.5","HB8088","Gautam, Ram N.; Sonkar, Sankatha P.; Yadav, Shailendra; Nath, Paras; Bharty, Manoj K.","Co<sup>II</sup>-catalysed synthesis of <i>N</i>-(4-meth-oxy-phen-yl)-5-(pyridin-4-yl)-1,3,4-oxa-diazol-2-amine hemi-hydro-chloride monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","351","354","10.1107/S2056989024002044","","","0.71073","MoKα","","0.069","0.0412","","","0.1033","0.1186","","","","","","0.977","","","","has coordinates","291729","2024-05-06","04:21:58",""
"2023049","19.6882","0.0003","18.9452","0.001","17.2139","0.0003","90","","110.811","0.0015","90","","6001.8","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Tetraphenyl phosphate tetrakis[dimethyl (2,2,2-trichloroacetyl)phosphoramidato]lutetium(III)","","- C40 H44 Cl12 Lu N4 O16 P5 -","- C40 H44 Cl12 Lu N4 O16 P5 -","- C160 H176 Cl48 Lu4 N16 O64 P20 -","4","1","DJ2075","Struhatska, Mariia B.; Ovchynnikov, Vladimir A.; Kariaka, Nataliia S.; Gawryszewska, Paula; Amirkhanov, Volodymyr M.","Crystal structure of tetra-phenyl phosphate tetra-kis-[dimethyl (2,2,2-tri-chloro-acet-yl)phos-pho-ramidato]lutetium(III), PPh<sub>4</sub>[Lu<i>L</i><sub>4</sub>].","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","370","374","10.1107/S205698902400210X","","","1.54184","CuKα","","0.0445","0.0401","","","0.1055","0.1077","","","","","","1.084","","","","has coordinates,has disorder","291731","2024-05-06","04:22:22",""
"2023050","8.0262","0.0003","9.0839","0.0003","10.7162","0.0003","86.185","0.002","85.73","0.003","84.468","0.003","774.12","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Trichlorido(tripropan-2-ylphosphane sulfide-κ<i>S</i>)gold(III)","","- C9 H21 Au Cl3 P S -","- C9 H21 Au Cl3 P S -","- C18 H42 Au2 Cl6 P2 S2 -","2","1","YZ2051","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","355","369","10.1107/S2056989024002032","","","0.71073","MoKα","","0.017","0.0151","","","0.0327","0.0332","","","","","","1.05","","","","has coordinates","291733","2024-05-06","04:23:21",""
"2023051","8.4533","0.0002","17.0563","0.0004","11.4826","0.0003","90","","94.525","0.002","90","","1650.42","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(<i>tert</i>-Butyldipropan-2-ylphosphane sulfide-κ<i>S</i>)trichloridogold(III)","","- C10 H23 Au Cl3 P S -","- C10 H23 Au Cl3 P S -","- C40 H92 Au4 Cl12 P4 S4 -","4","1","YZ2051","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","355","369","10.1107/S2056989024002032","","","0.71073","MoKα","","0.0247","0.021","","","0.0442","0.0456","","","","","","1.071","","","","has coordinates","291733","2024-05-06","04:23:21",""
"2023052","7.9363","0.0003","14.4096","0.0004","14.2851","0.0004","90","","91.774","0.003","90","","1632.85","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(<i>tert</i>-Butyldipropan-2-ylphosphane sulfide-κ<i>S</i>)trichloridogold(III)","","- C10 H23 Au Cl3 P S -","- C10 H23 Au Cl3 P S -","- C40 H92 Au4 Cl12 P4 S4 -","4","1","YZ2051","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","355","369","10.1107/S2056989024002032","","","0.71073","MoKα","","0.0339","0.0251","","","0.0424","0.045","","","","","","1.123","","","","has coordinates","291733","2024-05-06","04:23:21",""
"2023053","8.6034","0.0004","9.7779","0.0004","11.4231","0.0004","78.876","0.003","71.456","0.004","72.702","0.004","864.7","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Trichlorido[di-<i>tert</i>-butyl(propan-2-yl)phosphane sulfide-κ<i>S</i>]gold(III)","","- C11 H25 Au Cl3 P S -","- C11 H25 Au Cl3 P S -","- C22 H50 Au2 Cl6 P2 S2 -","2","1","YZ2051","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","355","369","10.1107/S2056989024002032","","","0.71073","MoKα","","0.0174","0.0157","","","0.0354","0.0359","","","","","","1.078","","","","has coordinates","291733","2024-05-06","04:23:21",""
"2023054","9.6382","0.0004","10.2787","0.0003","11.8483","0.0005","75.115","0.003","68.875","0.004","89.728","0.003","1053.13","0.08","101","2","101","2","","","","","","","","7","P -1","-P 1","2","","Trichlorido[di-<i>tert</i>-butyl(propan-2-yl)phosphane sulfide-κ<i>S</i>]gold(III) chloroform-d monosilvate","","- C12 H25 Au Cl6 D P S -","- C12 H25 Au Cl6 D P S -","- C24 H50 Au2 Cl12 D2 P2 S2 -","2","1","YZ2051","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","355","369","10.1107/S2056989024002032","","","0.71073","MoKα","","0.0182","0.0163","","","0.0327","0.0333","","","","","","1.053","","","","has coordinates","291733","2024-05-06","04:23:21",""
"2023055","8.4202","0.0003","11.2194","0.0004","11.8355","0.0004","98.398","0.003","101.174","0.003","95.991","0.003","1074.95","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Trichlorido(tri-<i>tert</i>-butylphosphane sulfide-κ<i>S</i>)gold(III) dichloromethane monosolvate","","- C13 H29 Au Cl5 P S -","- C13 H29 Au Cl5 P S -","- C26 H58 Au2 Cl10 P2 S2 -","2","1","YZ2051","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","355","369","10.1107/S2056989024002032","","","0.71073","MoKα","","0.0245","0.0205","","","0.0364","0.0373","","","","","","1.054","","","","has coordinates","291733","2024-05-06","04:23:21",""
"2023056","7.92516","0.00018","14.5559","0.0004","14.3635","0.0004","90","","91.264","0.002","90","","1656.54","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(<i>tert</i>-Butyldipropan-2-ylphosphane selenide-κ<i>S</i>)trichloridogold(III)","","- C10 H23 Au Cl3 P Se -","- C10 H23 Au Cl3 P Se -","- C40 H92 Au4 Cl12 P4 Se4 -","4","1","YZ2051","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","355","369","10.1107/S2056989024002032","","","0.71073","MoKα","","0.0461","0.0426","","","0.0915","0.0926","","","","","","1.321","","","","has coordinates","291733","2024-05-06","04:23:21",""
"2023057","8.5878","0.0004","9.8435","0.0004","11.5022","0.0005","78.391","0.003","71.168","0.004","73.463","0.004","875.78","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Trichlorido[di-<i>tert</i>-butyl(propan-2-yl)phosphane selenide-κ<i>S</i>]gold(III)","","- C11 H25 Au Cl3 P Se -","- C11 H25 Au Cl3 P Se -","- C22 H50 Au2 Cl6 P2 Se2 -","2","1","YZ2051","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","355","369","10.1107/S2056989024002032","","","0.71073","MoKα","","0.0164","0.0144","","","0.0292","0.0297","","","","","","1.101","","","","has coordinates","291733","2024-05-06","04:23:21",""
"2023058","8.5343","0.0002","9.7185","0.0003","14.0759","0.0004","74.398","0.002","78.121","0.002","73.257","0.002","1066.3","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Trichlorido[di-<i>tert</i>-butyl(propan-2-yl)phosphane selenide-κ<i>S</i>]gold(III) chloroform-d monosolvate","","- C12 H25 Au Cl6 D P Se -","- C12 H25 Au Cl6 D P Se -","- C24 H50 Au2 Cl12 D2 P2 Se2 -","2","1","YZ2051","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","355","369","10.1107/S2056989024002032","","","0.71073","MoKα","","0.0222","0.0206","","","0.047","0.0476","","","","","","1.097","","","","has coordinates,has disorder","291733","2024-05-06","04:23:21",""
"2023059","9.1341","0.0002","7.9039","0.0002","22.642","0.0004","90","","94.519","0.002","90","","1629.56","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tribromrido(tripropan-2-ylphosphane sulfide-κ<i>S</i>)gold(III)","","- C9 H21 Au Br3 P S -","- C9 H21 Au Br3 P S -","- C36 H84 Au4 Br12 P4 S4 -","4","1","YZ2051","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","355","369","10.1107/S2056989024002032","","","0.71073","MoKα","","0.0258","0.022","","","0.0374","0.0381","","","","","","1.233","","","","has coordinates","291733","2024-05-06","04:23:21",""
"2023060","8.6067","0.0008","10.1161","0.0012","11.5123","0.0012","77.873","0.01","70.257","0.01","71.867","0.01","890.37","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Tribromido[di-<i>tert</i>-butyl(propan-2-yl)phosphane sulfide-κ<i>S</i>]gold(III)","","- C11 H25 Au Br3 P S -","- C11 H25 Au Br3 P S -","- C22 H50 Au2 Br6 P2 S2 -","2","1","YZ2051","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","355","369","10.1107/S2056989024002032","","","0.71073","MoKα","","0.0192","0.0174","","","0.0357","0.0362","","","","","","1.135","","","","has coordinates","291733","2024-05-06","04:23:21",""
"2023061","8.3928","0.0002","10.1417","0.0004","10.7567","0.0004","94.419","0.003","105.612","0.003","110.113","0.003","813.34","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Tribromido(tripropan-2-ylphosphane selenide-κ<i>S</i>)gold(III)","","- C9 H21 Au Br3 P Se -","- C9 H21 Au Br3 P Se -","- C18 H42 Au2 Br6 P2 Se2 -","2","1","YZ2051","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","355","369","10.1107/S2056989024002032","","","0.71073","MoKα","","0.0334","0.0275","","","0.0702","0.074","","","","","","1.054","","","","has coordinates","291733","2024-05-06","04:23:21",""
"2023062","8.6","0.0005","10.2045","0.0007","11.5987","0.0007","77.475","0.006","69.764","0.006","72.601","0.006","904.02","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Tribromido[di-<i>tert</i>-butyl(propan-2-yl)phosphane selenide-κ<i>S</i>]gold(III)","","- C11 H25 Au Br3 P Se -","- C11 H25 Au Br3 P Se -","- C22 H50 Au2 Br6 P2 Se2 -","2","1","YZ2051","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","355","369","10.1107/S2056989024002032","","","0.71073","MoKα","","0.0252","0.0196","","","0.0346","0.036","","","","","","1.049","","","","has coordinates","291733","2024-05-06","04:23:21",""
"2023063","7.8729","0.0012","5.5655","0.0008","15.492","0.002","90","","101.446","0.003","90","","665.31","0.16","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","(<i>S</i>)-5-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-2-oxazolidinone","","- C13 H13 Cl F N O4 -","- C13 H13 Cl F N O4 -","- C26 H26 Cl2 F2 N2 O8 -","2","1","JY2039","Li, Victor; Yap, Glenn P. A.; Ni, Chaoying","Crystal structure of (<i>S</i>)-5-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-2-oxazolidinone.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","375","377","10.1107/S2056989024001920","","","1.54178","CuKα","","0.0511","0.0498","","","0.1346","0.1356","","","","","","1.083","","","","has coordinates","291724","2024-05-06","04:21:08",""
"2023064","6.2459","0.0004","14.148","0.0009","16.2111","0.0011","90","","92.435","0.007","90","","1431.23","0.16","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-Imino-8-(4-methylphenyl)-1,3,4,6-tetrahydro-2<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidine-7,9-dicarbonitrile","","- C17 H15 N5 -","- C17 H15 N5 -","- C68 H60 N20 -","4","1","NX2006","Naghiyev, Farid N.; Khrustalev, Victor N.; Akkurt, Mehmet; Dobrokhotova, Ekaterina V.; Bhattarai, Ajaya; Khalilov, Ali N.; Mamedov, İbrahim G","Crystal structure and Hirshfeld surface analysis of 6-imino-8-(4-methyl-phen-yl)-1,3,4,6-tetra-hydro-2<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidine-7,9-dicarbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","378","382","10.1107/S2056989024002500","","","0.745","synchrotron","","0.0611","0.0446","","","0.1035","0.1132","","","","","","1.039","","","","has coordinates","291719","2024-05-06","04:20:07",""
"2023065","8.4614","0.0014","9.0947","0.0015","9.536","0.0016","87.739","0.002","72.963","0.002","69.028","0.002","653.39","0.19","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-Phenyl-3-(prop-2-yn-1-yloxy)quinoxaline","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C34 H24 N4 O2 -","2","1","VM2298","Abad, Nadeem; Mague, Joel T.; Alsubari, Abdulsalam; Essassi, El Mokhtar; Pourayoubi, Mehrdad; Yahya Abdullah Alzahrani, Abdullah; Ramli, Youssef","Synthesis, crystal structure and Hirshfeld surface analysis of 2-phenyl-3-(prop-2-yn-1-yl-oxy)quin-oxaline.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","383","387","10.1107/S2056989024002585","","","0.71073","MoKα","","0.0501","0.0437","","","0.1345","0.1387","","","","","","1.166","","","","has coordinates","291723","2024-05-06","04:20:58",""
"2023066","8.444","0.0003","14.3013","0.0005","15.4233","0.0006","90","","90","","90","","1862.52","0.12","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-[2-(Morpholin-4-yl)ethyl]-5,5-diphenylimidazolidine-2,4-dione","","- C21 H23 N3 O3 -","- C21 H23 N3 O3 -","- C84 H92 N12 O12 -","4","1","WM5711","Lamssane, Houda; Haoudi, Amal; Kartah, Badr Eddine; Mazzah, Ahmed; Mague, Joel T.; Hökelek, Tuncer; Kandri Rodi, Youssef; Sebbar, Nada Kheira","Crystal structure, Hirshfeld surface analysis, calculations of crystal voids, inter-action energy and energy frameworks as well as density functional theory (DFT) calculations of 3-[2-(morpholin-4-yl)eth-yl]-5,5-di-phenyl-imidazolidine-2,4-dione.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","423","429","10.1107/S2056989024002445","","","0.71073","MoKα","","0.0423","0.0367","","","0.0919","0.0969","","","","","","1.068","","","","has coordinates","291716","2024-05-06","04:19:31",""
"2023067","8.3083","0.0012","4.8511","0.0005","22.587","0.004","90","","98.572","0.018","90","","900.2","0.2","220","","220","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Poly[aqua[μ-3-(3,4-dihydroxyphenyl)propenoato]lithium]","","- C9 H9 Li O5 -","- C9 H9 Li O5 -","- C36 H36 Li4 O20 -","4","1","","Bieler, Irén; Wagner, Christoph; Merzweiler, Kurt","Lithium and sodium 3-(3,4-di-hydroxy-phen-yl)propenoate hydrate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","401","407","10.1107/S2056989024002494","","","0.71073","MoKα","","0.0491","0.0317","","","0.0732","0.0791","","","","","","1.007","","","","has coordinates","291720","2024-05-06","04:20:18",""
"2023068","6.3289","0.0013","6.8126","0.0014","11.253","0.002","75.05","0.02","86.39","0.02","78.09","0.02","458.65","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Poly[aqua[μ-3-(3,4-dihydroxyphenyl)propenoato]sodium]","","- C9 H9 Na O5 -","- C9 H9 Na O5 -","- C18 H18 Na2 O10 -","2","1","","Bieler, Irén; Wagner, Christoph; Merzweiler, Kurt","Lithium and sodium 3-(3,4-di-hydroxy-phen-yl)propenoate hydrate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","401","407","10.1107/S2056989024002494","","","0.71073","MoKα","","0.054","0.0347","","","0.087","0.0951","","","","","","0.999","","","","has coordinates","291720","2024-05-06","04:20:19",""
"2023069","12.69368","0.00009","12.69368","0.00009","11.35879","0.00013","90","","90","","90","","1830.24","0.03","293","2","293","2","","","","","","","","6","P 4/n :2","-P 4a","85","","Bromidotetrakis[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-amine-κ<i>N</i>^3^]copper(II) bromide","","- C20 H28 Br2 Cu N12 S8 -","- C20 H28 Br2 Cu N12 S8 -","- C40 H56 Br4 Cu2 N24 S16 -","2","0.25","NY2003","Atashov, Aziz; Azamova, Mukhlisakhon; Ziyatov, Daminbek; Uzakbergenova, Zamira; Torambetov, Batirbay; Holczbauer, Tamas; Ashurov, Jamshid; Kadirova, Shakhnoza","Synthesis, crystal structure and Hirshfeld surface analysis of bromido-tetra-kis-[5-(prop-2-en-1-yl-sulf-an-yl)-1,3,4-thia-diazol-2-amine-κ<i>N</i><sup>3</sup>]copper(II) bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","408","412","10.1107/S2056989024002652","","","1.54184","CuKα","","0.028","0.0254","","","0.0633","0.0649","","","","","","1.052","","","","has coordinates,has disorder","291721","2024-05-06","04:20:33",""
"2023070","9.9055","0.0002","15.96","0.0003","16.4794","0.0004","90","","106.344","0.002","90","","2499.98","0.1","100","2","100","0.4","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-Diamino-5-(4-hydroxy-3-methoxyphenyl)-8,8-dimethyl-6-oxo-6,7,8,9-tetrahydro-5<i>H</i>-chromeno[2,3-<i>b</i>]pyridine-3-carbonitrile–dimethylformamide–water (1/1/1)","","- C25 H31 N5 O6 -","- C25 H31 N5 O6 -","- C100 H124 N20 O24 -","4","1","YZ2052","Metwally, Nadia H.; Elgemeie, Galal H.; Abd Al-Latif, El-Shimaa S M; Jones, Peter G.","Crystal structure of 2,4-di-amino-5-(4-hy-droxy-3-meth-oxy-phen-yl)-8,8-dimethyl-6-oxo-6,7,8,9-tetra-hydro-5<i>H</i>-chromeno[2,3-<i>b</i>]pyridine-3-carbo-nitrile-di-methyl-formamide-water (1/1/1).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","396","400","10.1107/S2056989024002615","","x-ray","0.71073","MoKα","","0.0485","0.0377","","","0.1062","0.1138","","","","","","1.037","","","","has coordinates","291722","2024-05-06","04:20:49",""
"2023071","24.069","0.003","24.069","0.003","6.4468","0.0008","90","","90","","90","","3734.7","0.8","123","2","123","2","","","","","","","","3","I 41 c d","I 4bw -2c","110","","4,4'-Dimethoxybiphenyl-3,3',5,5'-tetracarboxylic acid dihydrate","","- C18 H18 O12 -","- C18 H18 O12 -","- C144 H144 O96 -","8","0.5","EX2080","Hanauer, Thomas; Seichter, Wilhelm; Mazik, Monika","Crystal structure and Hirshfeld surface analysis of 4,4'-di-meth-oxy-biphenyl-3,3',5,5'-tetra-carb-oxy-lic acid dihydrate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","413","417","10.1107/S2056989024002305","","","0.71073","MoKα","","0.0617","0.0394","","","0.0824","0.0929","","","","","","1.083","","","","has coordinates","291725","2024-05-06","04:21:23",""
"2023072","6.6279","0.0015","7.3272","0.0012","8.2308","0.0015","67.271","0.017","83.403","0.017","73.006","0.017","352.58","0.13","291","","291","","","","","","","","","4","P -1","-P 1","2","(<i>E</i>)-3-(Pyridin-4-yl)acrylic acid","(<i>E</i>)-3-(Pyridin-4-yl)prop-2-enoic acid","","- C8 H7 N O2 -","- C8 H7 N O2 -","- C16 H14 N2 O4 -","2","1","EX2082","Florez-Muñoz, Valentina; Guerrero, Andres Felipe; Macias, Mario; Illicachi, Luis Alberto; D'Vries, Richard","Synthesis, characterization and supra-molecular analysis for (<i>E</i>)-3-(pyridin-4-yl)acrylic acid.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","388","391","10.1107/S2056989024002627","","x-ray","1.54184","CuKα","","0.0564","0.0491","","","0.1393","0.1527","","","","","","1.037","","","","has coordinates","291726","2024-05-06","04:21:31",""
"2023073","22.8042","0.0011","4.7826","0.0002","11.7421","0.0006","90","","90","","90","","1280.63","0.1","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Ethyl 2-(7-chloro-3-methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)acetate","","- C13 H13 Cl N2 O3 -","- C13 H13 Cl N2 O3 -","- C52 H52 Cl4 N8 O12 -","4","1","VM2299","Mustaphi, Nour El Hoda; Aboutofil, Fatima Ezzahra; El Houssni, Lamyae; Saif, Eiad; Mague, Joel T.; Chkirate, Karim; Essassi, El Mokhtar","Crystal structure and Hirshfeld surface analysis of ethyl 2-(7-chloro-3-methyl-2-oxo-1,2-di-hydro-quinoxalin-1-yl)acetate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","430","434","10.1107/S2056989024002664","","","1.54178","CuKα","","0.0579","0.0575","","","0.1593","0.1598","","","","","","1.086","","","","has coordinates","291727","2024-05-06","04:21:42",""
"2023074","10.7108","0.0002","11.7817","0.0002","12.9233","0.0003","73.831","0.002","67.667","0.002","67.38","0.002","1375.62","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","8-Benzyl-1-[(4-methylphenyl)sulfonyl]-2,7,8,9-tetrahydro-1<i>H</i>-3,6:10,13-diepoxy-1,8-benzodiazacyclopentadecine ethanol hemisolvate","","- C64 H62 N4 O9 S2 -","- C64 H62 N4 O9 S2 -","- C64 H62 N4 O9 S2 -","1","0.5","VM2297","Burkin, Gleb M.; Kvyatkovskaya, Elizaveta A.; Khrustalev, Victor N.; Hasanov, Khudayar I.; Sadikhova, Nurlana D.; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of 8-benzyl-1-[(4-methyl-phen-yl)sulfon-yl]-2,7,8,9-tetra-hydro-1<i>H</i>-3,6:10,13-diep-oxy-1,8-benzodi-aza-cyclo-penta-decine ethanol hemisolvate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","418","422","10.1107/S2056989024002275","","","1.54184","CuKα","","0.0351","0.0341","","","0.0873","0.0881","","","","","","1.062","","","","has coordinates,has disorder","291730","2024-05-06","04:22:10",""
"2023075","5.6768","0.0003","12.0747","0.0006","18.1912","0.0009","87.071","0.004","82.11","0.004","81.11","0.004","1219.72","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-Phenyl-2-(phenylsulfanyl)acetamide","","- C14 H13 N O S -","- C14 H13 N O S -","- C56 H52 N4 O4 S4 -","4","2","YZ2049","Mohamed-Ezzat, Reham A; Kariuki, Benson M.; Elgemeie, Galal H.","Synthesis and crystal structure of <i>N</i>-phenyl-2-(phenyl-sulfan-yl)acetamide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","392","395","10.1107/S2056989024002573","","","0.71073","MoKα","","0.0778","0.0578","","","0.1526","0.1622","","","","","","1.033","","","","has coordinates","291732","2024-05-06","04:22:32",""
"2023076","12.407","0.0009","17.425","0.0014","17.5276","0.0012","90","","90","","90","","3789.3","0.5","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-Bromo-2-{<i>N</i>-[2-(piperidine-1-sulfonyl)phenyl]carboximidoyl}phenol","","- C18 H19 Br N2 O3 S -","- C18 H19 Br N2 O3 S -","- C144 H152 Br8 N16 O24 S8 -","8","1","EF3052","Kolade, Sherif O.; Aina, Oluwafemi S.; Gordon, Allen T.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Asekun, Olayinka T.; Familoni, Oluwole B.","Synthesis, crystal structure and in-silico evaluation of arylsulfonamide Schiff bases for potential activity against colon cancer.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 4","129","142","10.1107/S205322962400233X","","","0.71073","MoKα","","0.097","0.0624","","","0.1513","0.1724","","","","","","1.087","","","","has coordinates","291714","2024-05-06","04:18:56",""
"2023077","5.9454","0.0002","7.9543","0.0003","12.0673","0.0004","72.124","0.003","79.661","0.003","86.052","0.003","534.25","0.03","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","Tetramethyl (<i>E</i>)-4,4'-(ethene-1,2-diyl)bis(5-nitrobenzene-1,2-dicarboxylate)","","- C22 H18 N2 O12 -","- C22 H18 N2 O12 -","- C22 H18 N2 O12 -","1","0.5","WM5712","Businski, Artjom; Ta, Thuy C.; Gindullis, Niklas; Näther, Christian; Herges, Rainer","Synthesis and crystal structure of tetra-methyl (<i>E</i>)-4,4'-(ethene-1,2-di-yl)bis-(5-nitro-benzene-1,2-di-carboxyl-ate).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","435","438","10.1107/S2056989024002676","","x-ray","1.54184","CuKα","","0.0458","0.0429","","","0.1224","0.1247","","","","","","1.087","","","","has coordinates","291717","2024-05-06","04:19:40",""
"2023078","11.467","0.0002","8.4852","0.0002","20.4823","0.0004","90","","105.135","0.002","90","","1923.8","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dimethyl 4'-bromo-3-oxo-5-(thiophen-2-yl)-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2,4-dicarboxylate","","- C20 H17 Br O5 S -","- C20 H17 Br O5 S -","- C80 H68 Br4 O20 S4 -","4","1","NX2007","Naghiyev, Farid N.; Khrustalev, Victor N.; Akkurt, Mehmet; Asadov, Khammed A.; Bhattarai, Ajaya; Khalilov, Ali N.; Mamedov, İbrahim G.","Crystal structure and Hirshfeld surface analysis of dimethyl 4′-bromo-3-oxo-5-(thiophen-2-yl)-3,4,5,6-tetrahydro-[1,1′-biphenyl]-2,4-dicarboxylate","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002858","","x-ray","0.71073","MoKα","","0.0441","0.0335","","","0.0827","0.0863","","","","","","1.023","","","","has coordinates,has disorder","291079","2024-04-05","01:56:14",""
"2023079","10.7082","0.0008","7.027","0.0006","13.882","0.001","90","","91.679","0.01","90","","1044.12","0.14","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-Cyano-2-isonitrosoacetamide–3,4-dimethylpyrazole (1/1)","2-Cyano-2-isonitrosoacetamide–3,4-dimethylpyrazole (1/1)","","- C8 H11 N5 O2 -","- C8 H11 N5 O2 -","- C32 H44 N20 O8 -","4","1","HB8093","Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Ponomarova, Vira V.; Lysenko, Andrey B.; Krautscheid, Harald","2-Cyano-2-isonitrosoacetamide–3,4-dimethylpyrazole (1/1): a co-crystal of two molecules with agrochemical activities","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002809","","x-ray","1.54186","CuKα","","0.0726","0.0474","","","0.1149","0.1278","","","","","","0.993","","","","has coordinates","291080","2024-04-05","01:56:29",""
"2023080","7.4584","0.0002","7.7429","0.0003","13.2461","0.0003","103.025","0.002","98.735","0.002","90.769","0.002","735.73","0.04","123","","123","","","","","","","","","4","P -1","-P 1","2","cis-Jasmone 4-ethylthiosemicarbazone","<i>N</i>-Ethyl-2-{3-methyl-2-[(2<i>Z</i>)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}hydrazinecarbothioamide","","- C14 H23 N3 S -","- C14 H23 N3 S -","- C28 H46 N6 S2 -","2","1","YZ2054","Oliveira, Adriano Bof de; Beck, Johannes; Daniels, Jörg","Synthesis, crystal structure and Hirshfeld analysis of N-ethyl-2-{3-methyl-2-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}hydrazinecarbothioamide","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002913","","x-ray","0.71073","MoKα","","0.0447","0.0341","","","0.0787","0.0845","","","","","","1.019","","","","has coordinates,has disorder","291156","2024-04-10","02:02:25",""
"2023081","7.1686","0.0005","4.8491","0.0003","19.1276","0.0014","90","","90","","90","","664.9","0.08","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","5-Hydroxypentanehydrazide","","- C5 H12 N2 O2 -","- C5 H12 N2 O2 -","- C20 H48 N8 O8 -","4","1","VM2296","Justen, Guilherme Augusto; Carneiro Neto, José Severiano; Sousa Santana, Francielli; Leiriane Batistel Ribas, Maria; Gomes da Silva de Paula, Felipe; Dario, Priscila Paola; Gonçalves Montes D'Oca, Marcelo","Crystal structure and Hirshfeld surface analysis of 5-hydroxypentanehydrazide","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002871","","","0.71073","MoKα","","0.023","0.022","","","0.0583","0.0587","","","","","","1.083","","","","has coordinates","291157","2024-04-10","02:02:42",""
"2023082","8.2816","0.0002","17.4856","0.0003","14.9186","0.0003","90","","104.478","0.002","90","","2091.74","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1<i>H</i>-Imidazole-κ<i>N</i>^3^)[4-methyl-2-({[2-oxido-5-(2-phenyldiazen-1-yl)phenyl]methylidene}amino)pentanoate-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']copper(II)","","- C22 H23 Cu N5 O3 -","- C22 H23 Cu N5 O3 -","- C88 H92 Cu4 N20 O12 -","4","2","EE2005","Kaneda, Ai; Suzuki, Soma; Nakane, Daisuke; Kashiwagi, Yukiyasu; Akitsu, Takashiro","Crystal structure and Hirshfeld surface analysis of (1H-imidazole-κN 3)[4-methyl-2-({[2-oxido-5-(2-phenyldiazen-1-yl)phenyl]methylidene}amino)pentanoate-κ3 O,N,O′]copper(II)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002986","","x-ray","1.54184","CuKα","","0.0397","0.036","","","0.0932","0.0957","","","","","","1.052","","","","has coordinates","291225","2024-04-16","02:11:51",""
"2023083","11.902","0.0002","26.4007","0.0002","7.1933","0.0001","90","","104.299","0.001","90","","2190.26","0.05","100","0.1","100","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","Tris(2-methylpyridine <i>N</i>-oxide-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)","","- C20 H21 Co N5 O3 S2 -","- C20 H21 Co N5 O3 S2 -","- C80 H84 Co4 N20 O12 S8 -","4","1","JP2003","Näther, Christian; Jess, Inke","Synthesis, crystal structure and properties of the trigonal–bipyramidal complex tris(2-methylpyridine N-oxide-κO)bis(thiocyanato-κN)cobalt(II)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024003050","","x-ray","1.54184","CuKα","","0.0334","0.0331","","","0.0887","0.089","","","","","","1.037","","","","has coordinates","291226","2024-04-16","02:12:09",""
"2023084","10.6861","0.0004","13.0639","0.0005","15.7006","0.0006","96.304","0.002","107.142","0.002","110.766","0.002","1901.24","0.13","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","(1<i>H</i>-Imidazole){tris[(1-benzyltriazol-4-yl-κ<i>N</i>^3^)methyl]amine-κ<i>N</i>}cobalt(II) bis(tetrafluoroborate)","","- C33 H34 B2 Co F8 N12 -","- C33 H34 B2 Co F8 N12 -","- C66 H68 B4 Co2 F16 N24 -","2","1","JY2045","Batra, Vipul; Reed, Garrett C.; Tierney, David L.","Structure of the five-coordinate CoII complex (1H-imidazole){tris[(1-benzyltriazol-4-yl-κN 3)methyl]amine-κN}cobalt(II) bis(tetrafluoroborate)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S205698902400330X","","","0.71073","MoKα","","0.0707","0.0491","","","0.1084","0.1178","","","","","","1.037","","","","has coordinates,has disorder","291288","2024-04-19","04:39:07",""
"2023085","12.5716","0.0006","8.394","0.0003","20.3319","0.0007","90","","90","","90","","2145.54","0.15","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Trichlorido(4-methylpiperidine)gold(III)","","- C6 H13 Au Cl3 N -","- C6 H13 Au Cl3 N -","- C48 H104 Au8 Cl24 N8 -","8","1","PK2705","Döring, Cindy; Jones, Peter G.","Crystal structures of trichlorido(4-methylpiperidine)gold(III) and two polymorphs of tribromido(4-methylpiperidine)gold(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002822","","","0.71073","MoKα","","0.0426","0.0242","","","0.0383","0.0419","","","","","","1.046","","","","has coordinates","291289","2024-04-19","04:39:37",""
"2023086","9.9871","0.0005","7.1505","0.0004","15.716","0.0008","90","","90","","90","","1122.32","0.1","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Tribromido(4-methylpiperidine)gold(III)","","- C6 H13 Au Br3 N -","- C6 H13 Au Br3 N -","- C24 H52 Au4 Br12 N4 -","4","0.5","PK2705","Döring, Cindy; Jones, Peter G.","Crystal structures of trichlorido(4-methylpiperidine)gold(III) and two polymorphs of tribromido(4-methylpiperidine)gold(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002822","","","0.71073","MoKα","","0.0422","0.0295","","","0.0472","0.0504","","","","","","1.11","","","","has coordinates","291289","2024-04-19","04:39:38",""
"2023087","12.6471","0.0005","8.7247","0.0003","21.0262","0.0007","90","","90","","90","","2320.08","0.14","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tribromido(4-methylpiperidine)gold(III)","","- C6 H13 Au Br3 N -","- C6 H13 Au Br3 N -","- C48 H104 Au8 Br24 N8 -","8","1","PK2705","Döring, Cindy; Jones, Peter G.","Crystal structures of trichlorido(4-methylpiperidine)gold(III) and two polymorphs of tribromido(4-methylpiperidine)gold(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002822","","","0.71073","MoKα","","0.052","0.0294","","","0.0388","0.0429","","","","","","1.035","","","","has coordinates","291289","2024-04-19","04:39:38",""
"2023088","10.2188","0.0005","10.7365","0.0005","20.4119","0.001","84.376","0.002","89.298","0.002","70.167","0.002","2095.97","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2,4-Diamino-6-[(1<i>Z</i>,3<i>E</i>)-1-cyano-2,4-diphenylpenta-1,3-dien-1-yl]pyridine-3,5-dicarbonitrile monohydrate","","- C25 H20 N6 O -","- C25 H20 N6 O -","- C100 H80 N24 O4 -","4","2","OX2003","Mamedov, İbrahim G.; Khrustalev, Victor N.; Akkurt, Mehmet; Kerimli, Fuad Sh.; Bhattarai, Ajaya; Khalilov, Ali N.; Naghiyev, Farid N.","Crystal structure and Hirshfeld surface analysis of 2,4-diamino-6-[(1Z,3E)-1-cyano-2,4-diphenylpenta-1,3-dien-1-yl]pyridine-3,5-dicarbonitrile monohydrate","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002962","","","0.71073","MoKα","","0.0717","0.0492","","","0.1264","0.1433","","","","","","1.016","","","","has coordinates","291290","2024-04-19","04:39:59",""
"2023089","11.46665","0.00013","12.37103","0.00015","13.58185","0.00017","90","","97.0894","0.0011","90","","1911.91","0.04","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(μ-4-methylpyridine <i>N</i>-oxide-κ^2^<i>O</i>:<i>O</i>)bis[(methanol-κ<i>O</i>)(4-methylpyridine <i>N</i>-oxide-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)]","","- C30 H36 Co2 N8 O6 S4 -","- C30 H36 Co2 N8 O6 S4 -","- C60 H72 Co4 N16 O12 S8 -","2","0.5","JP2005","Näther, Christian; Jess, Inke","Synthesis, crystal structure and thermal properties of the dinuclear complex bis(μ-4-methylpyridine N-oxide-κ2 O:O)bis[(methanol-κO)(4-methylpyridine N-oxide-κO)bis(thiocyanato-κN)cobalt(II)]","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024003128","","x-ray","1.54184","CuKα","","0.0385","0.0376","","","0.1024","0.103","","","","","","1.087","","","","has coordinates","291291","2024-04-19","04:40:15",""
"2023090","16.1699","0.0007","21.1139","0.001","30.0046","0.0014","90","","91.576","0.002","90","","10240","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[tris(diisobutyldithiocarbamato)-μ~3~-sulfido-tri-μ~2~-disulfido-trimolybdenum(IV)] sulfide tetrahydrofuran monosolvate","","- C54 H108 Mo6 N6 S27 -","- C54 H108 Mo6 N6 S27 -","- C216 H432 Mo24 N24 S108 -","4","1","OI2005","Fraker, Addison; Donahue, James P.; McSkimming, Alex","Bis[tris(diisobutyldithiocarbamato)-μ3-sulfido-tri-μ2-disulfido-trimolybdenum(IV)] sulfide tetrahydrofuran monosolvate","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002949","","","1.54178","CuKα","","0.0434","0.0379","","","0.084","0.0889","","","","","","1.146","","","","has coordinates,has disorder","291292","2024-04-19","04:40:53",""
"2023091","5.77","0.0001","8.3069","0.0002","14.6243","0.0005","82.891","0.002","87.004","0.004","74.172","0.002","669.07","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-[(1<i>E</i>)-1-[(Carbamothioylamino)imino]ethyl]phenyl propanoate","","- C12 H15 N3 O2 S -","- C12 H15 N3 O2 S -","- C24 H30 N6 O4 S2 -","2","1","WM5713","Madhan, Sundarasamy; NizamMohideen, Mohamed; Viswanathan, Vijayan; Karthik Ananth, Mani; Narasimhan, Srinivasan","Synthesis, crystal structure and Hirshfeld surface analysis of 4-{(1E)-1-[(carbamothioylamino)imino]ethyl}phenyl propanoate","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024003177","","","0.71073","MoKα","","0.0859","0.0654","","","0.1994","0.2189","","","","","","1.089","","","","has coordinates,has disorder","291293","2024-04-19","04:41:11",""
"2023092","10.178","0.002","5.9156","0.0011","7.7158","0.0014","90","","112.658","0.014","90","","428.71","0.15","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Ammonium trinickel(II) hydrogen arsenate arsenate dihydroxide","","- As2 H7 N Ni3 O10 -","- As2 H3 N Ni3 O10 -","- As4 H6 N2 Ni6 O20 -","2","0.25","HB8094","Eder, Felix; Weil, Matthias","Synthesis and crystal structure of (NH4)[Ni3(HAsO4)(AsO4)(OH)2]","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024003487","","","0.71073","MoKα","","0.095","0.0675","","","0.1984","0.2288","","","","","","1.04","","","","has coordinates","291378","2024-04-27","01:54:33",""
"2023093","9.427","0.0005","9.4386","0.0004","12.3849","0.0007","95.392","0.003","96.849","0.003","106.512","0.003","1039.49","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-4-({[2-(Benzo[<i>b</i>]thiophen-3-yl)cyclopent-1-en-1-yl]methyl}(phenyl)amino)-4-oxobut-2-enoic acid","","- C24 H21 N O3 S -","- C24 H21 N O3 S -","- C48 H42 N2 O6 S2 -","2","1","NX2009","Yakovleva, Elizaveta D.; Shelukho, Evgeniya R.; Grigoriev, Mikhail S.; Hasanov, Khudayar I.; Sadikhova, Nurlana D.; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of (Z)-4-({[2-(benzo[b]thiophen-3-yl)cyclopent-1-en-1-yl]methyl}(phenyl)amino)-4-oxobut-2-enoic acid","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024003232","","","0.71073","MoKα","","0.1126","0.0488","","","0.0932","0.1147","","","","","","0.991","","","","has coordinates","291379","2024-04-27","01:54:49",""
"2023094","9.226","0.0006","12.7703","0.0009","18.6607","0.0013","109.79","0.006","96.72","0.006","90.657","0.006","2051.4","0.3","100","2","100","0.1","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>-(4-Bromophenyl)-2-cyano-3-[3-(2-methylpropyl)-1-phenyl-1<i>H</i>-pyrazol-4-yl]prop-2-enamide","","- C23 H21 Br N4 O -","- C23 H21 Br N4 O -","- C92 H84 Br4 N16 O4 -","4","2","JP2004","Abu-Zaied, Mamdouh A.; Mohamed-Ezzat, Reham A.; Elgemeie, Galal H.; Jones, Peter G.","Crystal structure of (E)-N-(4-bromophenyl)-2-cyano-3-[3-(2-methylpropyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enamide","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024003086","","x-ray","1.54184","CuKα","","0.0403","0.0395","","","0.1015","0.1022","","","","","","1.05","","","","has coordinates","291380","2024-04-27","01:55:06",""
"2023095","13.3577","0.0005","10.0877","0.0003","13.9182","0.0005","90","","106.29","0.004","90","","1800.16","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Chlorosulfanyl)tris(propan-2-yl)phosphonium tetrachloridoaurate(III)","","- C9 H21 Au Cl5 P S -","- C9 H21 Au Cl5 P S -","- C36 H84 Au4 Cl20 P4 S4 -","4","1","YZ2053","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002780","","","0.71073","MoKα","","0.0512","0.0403","","","0.0963","0.1023","","","","","","1.079","","","","has coordinates","291382","2024-04-27","01:57:00",""
"2023096","7.5619","0.0004","8.7408","0.0004","15.4558","0.0006","84.346","0.004","78.306","0.004","66.915","0.005","920.07","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(<i>tert</i>-Butyl)(chlorosulfanyl)bis(propan-2-yl)phosphonium tetrachloridoaurate(III)","","- C10 H23 Au Cl5 P S -","- C10 H23 Au Cl5 P S -","- C20 H46 Au2 Cl10 P2 S2 -","2","1","YZ2053","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002780","","","0.71073","MoKα","","0.0212","0.0166","","","0.0342","0.036","","","","","","1.049","","","","has coordinates","291382","2024-04-27","01:57:04",""
"2023097","33.653","0.003","7.7933","0.0003","16.212","0.002","90","","113.861","0.008","90","","3888.5","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(<i>tert</i>-butyl)(chlorosulfanyl)(propan-2-yl)phosphonium tetrachloridoaurate(III)","","- C11 H25 Au Cl5 P S -","- C11 H25 Au Cl5 P S -","- C88 H200 Au8 Cl40 P8 S8 -","8","1","YZ2053","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002780","","","0.71073","MoKα","","0.0523","0.0331","","","0.0582","0.0636","","","","","","1.041","","","","has coordinates","291382","2024-04-27","01:57:05",""
"2023098","9.7661","0.0003","12.5787","0.0003","16.9776","0.0005","90","","103.887","0.003","90","","2024.65","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tris(<i>tert</i>-butyl)(chlorosulfanyl)phosphonium tetrachloridoaurate(III)","","- C12 H27 Au Cl5 P S -","- C12 H27 Au Cl5 P S -","- C48 H108 Au4 Cl20 P4 S4 -","4","1","YZ2053","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002780","","","0.71073","MoKα","","0.0731","0.0223","","","0.0421","0.0449","","","","","","0.767","","","","has coordinates","291382","2024-04-27","01:57:06",""
"2023099","7.4202","0.0003","8.5966","0.0003","15.398","0.0006","97.497","0.003","100.128","0.004","109.324","0.004","893.42","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(Chloroselanyl)tris(propan-2-yl)phosphonium tetrachloridoaurate(III)","","- C9 H21 Au Cl5 P Se -","- C9 H21 Au Cl5 P Se -","- C18 H42 Au2 Cl10 P2 Se2 -","2","1","YZ2053","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002780","","","0.71073","MoKα","","0.0194","0.0157","","","0.0317","0.0327","","","","","","1.101","","","","has coordinates","291382","2024-04-27","01:57:07",""
"2023100","7.5836","0.0002","8.7603","0.0002","15.4719","0.0006","84.445","0.003","78.641","0.003","67.128","0.003","928.27","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(<i>tert</i>-Butyl)(chloroselanyl)bis(propan-2-yl)phosphonium tetrachloridoaurate(III)","","- C10 H23 Au Cl5 P Se -","- C10 H23 Au Cl5 P Se -","- C20 H46 Au2 Cl10 P2 Se2 -","2","1","YZ2053","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002780","","","0.71073","MoKα","","0.0252","0.0208","","","0.052","0.0544","","","","","","1.052","","","","has coordinates","291382","2024-04-27","01:57:07",""
"2023101","33.7472","0.0006","7.79306","0.00008","16.2575","0.0003","90","","113.582","0.003","90","","3918.56","0.14","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(<i>tert</i>-butyl)(chloroselanyl)(propan-2-yl)phosphonium tetrachloridoaurate(III)","","- C11 H25 Au Cl5 P Se -","- C11 H25 Au Cl5 P Se -","- C88 H200 Au8 Cl40 P8 Se8 -","8","1","YZ2053","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002780","","","0.71073","MoKα","","0.0276","0.0209","","","0.0408","0.0428","","","","","","1.107","","","","has coordinates","291382","2024-04-27","01:57:07",""
"2023102","7.8543","0.0004","8.0592","0.0004","15.3505","0.0007","76.717","0.004","83.169","0.004","87.722","0.004","938.89","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(Bromosulfanyl)tris(propan-2-yl)phosphonium tetrabromidoaurate(III)","","- C9 H21 Au Br5 P S -","- C9 H21 Au Br5 P S -","- C18 H42 Au2 Br10 P2 S2 -","2","1","YZ2053","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002780","","","0.71073","MoKα","","0.0267","0.0208","","","0.0386","0.04","","","","","","1.081","","","","has coordinates","291382","2024-04-27","01:57:08",""
"2023103","7.8455","0.0006","9.138","0.0006","15.544","0.0009","86.6","0.005","81.097","0.006","64.862","0.006","996.66","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(Bromosulfanyl)(<i>tert</i>-butyl)bis(propan-2-yl)phosphonium tetrabromidoaurate(III)","","- C10 H23 Au Br5 P S -","- C10 H23 Au Br5 P S -","- C20 H46 Au2 Br10 P2 S2 -","2","1","YZ2053","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002780","","","0.71073","MoKα","","0.0339","0.0269","","","0.049","0.052","","","","","","1.061","","","","has coordinates","291382","2024-04-27","01:57:08",""
"2023104","12.4712","0.0004","10.3712","0.0003","16.2524","0.0005","90","","92.724","0.003","90","","2099.73","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Bromosulfanyl)bis(<i>tert</i>-butyl)(propan-2-yl)phosphonium tetrabromidoaurate(III)","","- C11 H25 Au Br5 P S -","- C11 H25 Au Br5 P S -","- C44 H100 Au4 Br20 P4 S4 -","4","1","YZ2053","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002780","","","0.71073","MoKα","","0.0498","0.0328","","","0.0568","0.061","","","","","","1.09","","","","has coordinates","291382","2024-04-27","01:57:08",""
"2023105","10.2218","0.0005","10.8085","0.0006","11.1163","0.0005","70.909","0.004","71.516","0.005","75.645","0.004","1086.39","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(Bromosulfanyl)tris(<i>tert</i>-butyl)phosphonium tetrabromidoaurate(III)","","- C12 H27 Au Br5 P S -","- C12 H27 Au Br5 P S -","- C24 H54 Au2 Br10 P2 S2 -","2","1","YZ2053","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002780","","","0.71073","MoKα","","0.0486","0.0316","","","0.0604","0.0659","","","","","","1.054","","","","has coordinates","291382","2024-04-27","01:57:09",""
"2023106","7.9212","0.0004","8.0606","0.0004","15.2911","0.0008","76.817","0.005","82.668","0.005","87.728","0.004","942.77","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(Bromoselanyl)tris(propan-2-yl)phosphonium tetrabromidoaurate(III)","","- C9 H21 Au Br5 P Se -","- C9 H21 Au Br5 P Se -","- C18 H42 Au2 Br10 P2 Se2 -","2","1","YZ2053","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002780","","","0.71073","MoKα","","0.0347","0.0244","","","0.0423","0.0447","","","","","","1.057","","","","has coordinates","291382","2024-04-27","01:57:09",""
"2023107","7.8155","0.0003","9.1505","0.0003","15.5221","0.0005","85.965","0.002","80.294","0.003","66.049","0.003","999.97","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(Bromoselanyl)(<i>tert</i>-butyl)bis(propan-2-yl)phosphonium tetrabromidoaurate(III)","","- C10 H23 Au Br5 P Se -","- C10 H23 Au Br5 P Se -","- C20 H46 Au2 Br10 P2 Se2 -","2","1","YZ2053","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002780","","","0.71073","MoKα","","0.0312","0.0245","","","0.0593","0.0629","","","","","","1.036","","","","has coordinates","291382","2024-04-27","01:57:09",""
"2023108","12.3529","0.0004","10.4233","0.0004","16.4635","0.0005","90","","93.453","0.003","90","","2115.96","0.12","101","2","101","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Bromoselanyl)bis(<i>tert</i>-butyl)(propan-2-yl)phosphonium tetrabromidoaurate(III)","","- C11 H25 Au Br5 P Se -","- C11 H25 Au Br5 P Se -","- C44 H100 Au4 Br20 P4 Se4 -","4","1","YZ2053","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002780","","","0.71073","MoKα","","0.0793","0.0337","","","0.057","0.0613","","","","","","0.812","","","","has coordinates","291382","2024-04-27","01:57:09",""
"2023109","7.0415","0.0003","17.9349","0.0008","9.0148","0.0005","90","","100.812","0.002","90","","1118.26","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ-hydroxido-bis[dibromido(dimethylformamide-κ<i>O</i>)ethyltin(IV)]","","- C10 H26 Br4 N2 O4 Sn2 -","- C10 H26 Br4 N2 O4 Sn2 -","- C20 H52 Br8 N4 O8 Sn4 -","2","0.5","YY2010","Klecker, Christopher Jan; Reuter, Hans","Dimeric ethyltin(IV)–dibromide–hydroxide–N,N-dimethylformamide","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024003268","","","0.71073","MoKα","","0.022","0.0181","","","0.0448","0.0461","","","","","","1.067","","","","has coordinates","291383","2024-04-27","01:57:51",""
"2023110","17.764","0.003","8.4429","0.0012","11.6601","0.0016","90","","100.948","0.004","90","","1717","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[(4-Hydroxyphenyl)amino]-5,5-diphenyl-1<i>H</i>-imidazol-4(5<i>H</i>)-one","","- C21 H17 N3 O2 -","- C21 H17 N3 O2 -","- C84 H68 N12 O8 -","4","1","VM2300","El Moutaouakil Ala Allah, Abderrazzak; Guerrab, Walid; Mague, Joel T.; Alsubari, Abdulsalam; Alzahrani, Abdullah Yahya Abdullah; Ramli, Youssef","Synthesis, crystal structure and Hirshfeld surface analysis of 2-[(4-hydroxyphenyl)amino]-5,5-diphenyl-1H-imidazol-4(5H)-one","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024003499","","","0.71073","MoKα","","0.1042","0.0546","","","0.1125","0.1319","","","","","","1.035","","","","has coordinates","291384","2024-04-27","01:58:04",""
"2023111","8.5194","0.0007","18.1257","0.0013","9.0875","0.0008","90","","105.106","0.003","90","","1354.8","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>N</i>,2,4,6-Tetramethylanilinium trifluoromethanesulfonate","","- C11 H16 F3 N O3 S -","- C11 H16 F3 N O3 S -","- C44 H64 F12 N4 O12 S4 -","4","1","EJ2004","Stewart, John W.; Irons, Elena M.; Osorio Abanto, Giovanna; Zeller, Matthias; Zaleski, Curtis M.; Predecki, Daniel P.","Synthesis and crystal structures of N,2,4,6-tetramethylanilinium trifluoromethanesulfonate and N-isopropylidene-N,2,4,6-tetramethylanilinium trifluoromethanesulfonate","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024003438","","","0.71073","MoKα","","0.0813","0.0473","","","0.1179","0.1326","","","","","","1.033","","","","has coordinates","291385","2024-04-27","01:58:23",""
"2023112","6.858","0.0004","19.4619","0.0012","12.6131","0.0007","90","","102.024","0.002","90","","1646.53","0.17","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>N</i>-Isopropylidene-<i>N</i>,2,4,6-tetramethylanilinium trifluoromethanesulfonate","","- C14 H20 F3 N O3 S -","- C14 H20 F3 N O3 S -","- C56 H80 F12 N4 O12 S4 -","4","1","EJ2004","Stewart, John W.; Irons, Elena M.; Osorio Abanto, Giovanna; Zeller, Matthias; Zaleski, Curtis M.; Predecki, Daniel P.","Synthesis and crystal structures of N,2,4,6-tetramethylanilinium trifluoromethanesulfonate and N-isopropylidene-N,2,4,6-tetramethylanilinium trifluoromethanesulfonate","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024003438","","","0.71073","MoKα","","0.0649","0.0454","","","0.125","0.1356","","","","","","1.044","","","","has coordinates","291385","2024-04-27","01:58:24",""
"2023113","7.9462","0.0005","26.5977","0.0012","5.186","0.0002","90","","100.613","0.005","90","","1077.31","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorido(η^2^-ethylene)(quinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)platinum(II)","","- C11 H10 Cl N O Pt -","- C11 H10 Cl N O Pt -","- C44 H40 Cl4 N4 O4 Pt4 -","4","1","OI2006","Chi, Nguyen Thi Thanh; Tuan Cuong, Ngo; Thu Trang, Tran; Van Thong, Pham; Linh, Nguyen Thi Bang; Ly, Nguyen Thi Khanh; Van Meervelt, Luc","Synthesis, crystal structure and anticancer activity of the complex chlorido(η2-ethylene)(quinolin-8-olato-κ2 N,O)platinum(II) by experimental and theoretical methods","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","550","554","10.1107/S2056989024003748","","x-ray","0.71073","MoKα","","0.0433","0.0329","","","0.0695","0.0762","","","","","","1.086","","","","has coordinates","291431","2024-05-01","01:46:59",""
"2023114","10.1542","0.0003","11.9156","0.0003","11.9964","0.0004","75.221","0.001","88.341","0.001","81.751","0.001","1388.9","0.07","100","","100","","","","","","","","","4","P -1","-P 1","2","","5,17-Dibromo-26,28-dihydroxy-25,27-dipropynyloxycalix[4]arene","","- C34 H26 Br2 O4 -","- C34 H26 Br2 O4 -","- C68 H52 Br4 O8 -","2","1","WM5716","Gorbunov, Alexander; Bezzubov, Stanislav; Malakhova, Maria; Kovalev, Vladimir; Vatsouro, Ivan","Synthesis and crystal structures of 5,17-dibromo-26,28-dihydroxy-25,27-dipropynyloxycalix[4]arene, 5,17-dibromo-26,28-dipropoxy-25,27-dipropynyloxycalix[4]arene and 25,27-bis(2-azidoethoxy)-5,17-dibromo-26,28-dihydroxycalix[4]arene","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024003785","","x-ray","0.71073","MoKα","","0.0535","0.0357","","","0.0814","0.0871","","","","","","1.042","","","","has coordinates,has disorder","291490","2024-05-04","01:52:20",""
"2023115","18.1223","0.0007","9.984","0.0004","18.2863","0.0007","90","","90","","90","","3308.6","0.2","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","5,17-Dibromo-26,28-dipropoxy-25,27-dipropynyloxycalix[4]arene","","- C40 H38 Br2 O4 -","- C40 H38 Br2 O4 -","- C160 H152 Br8 O16 -","4","0.5","WM5716","Gorbunov, Alexander; Bezzubov, Stanislav; Malakhova, Maria; Kovalev, Vladimir; Vatsouro, Ivan","Synthesis and crystal structures of 5,17-dibromo-26,28-dihydroxy-25,27-dipropynyloxycalix[4]arene, 5,17-dibromo-26,28-dipropoxy-25,27-dipropynyloxycalix[4]arene and 25,27-bis(2-azidoethoxy)-5,17-dibromo-26,28-dihydroxycalix[4]arene","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024003785","","x-ray","0.71073","MoKα","","0.0446","0.0298","","","0.0642","0.069","","","","","","1.036","","","","has coordinates","291490","2024-05-04","01:52:21",""
"2023116","36.3261","0.0007","36.3261","0.0007","12.1054","0.0004","90","","90","","120","","13834","0.6","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","25,27-Bis(2-azidoethoxy)-5,17-dibromo-26,28-dihydroxycalix[4]arene","","- C32 H28 Br2 N6 O4 -","- C32 H28 Br2 N6 O4 -","- C576 H504 Br36 N108 O72 -","18","1","WM5716","Gorbunov, Alexander; Bezzubov, Stanislav; Malakhova, Maria; Kovalev, Vladimir; Vatsouro, Ivan","Synthesis and crystal structures of 5,17-dibromo-26,28-dihydroxy-25,27-dipropynyloxycalix[4]arene, 5,17-dibromo-26,28-dipropoxy-25,27-dipropynyloxycalix[4]arene and 25,27-bis(2-azidoethoxy)-5,17-dibromo-26,28-dihydroxycalix[4]arene","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024003785","","x-ray","0.71073","MoKα","","0.0584","0.0397","","","0.0901","0.0974","","","","","","1.031","","","","has coordinates","291490","2024-05-04","01:52:22",""
"2023117","8.1208","0.0013","8.2262","0.0014","9.5944","0.0015","73.338","0.004","72.167","0.004","62.966","0.004","535.19","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1-(6-Amino-5-nitronaphthalen-2-yl)ethanone","","- C12 H10 N2 O3 -","- C12 H10 N2 O3 -","- C24 H20 N4 O6 -","2","1","ZN2036","Shi, Xin-Wei; Bai, Ming-sheng; Zheng, Shao-Jun; Lu, Qiang-Qiang; Li, Gen; Zhou, Ya-Fu","Crystal structure characterization, Hirshfeld surface analysis, and DFT calculation studies of 1-(6-amino-5-nitronaphthalen-2-yl)ethanone","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024003797","","","0.71073","MoKα","","0.0638","0.0505","","","0.1337","0.148","","","","","","1.033","","","","has coordinates","291491","2024-05-04","01:52:39",""
"2023118","8.6173","0.0004","10.6265","0.0006","13.1312","0.0004","93.384","0.004","98.121","0.003","94.09","0.004","1184.45","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis{2-[5-(3,4,5-trimethoxyphenyl)-4<i>H</i>-1,2,4-triazol-3-yl]pyridine}palladium(II) bis(trifluoroacetate) trifluoroacetic acid disolvate","","- C40 H34 F12 N8 O14 Pd -","- C40 H34 F12 N8 O14 Pd -","- C40 H34 F12 N8 O14 Pd -","1","0.5","JW2005","Zakharchenko, Borys V.; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Bargan, Alexandra; Vassilyeva, Olga Yu.; Lampeka, Rostyslav D.","Crystal structure of bis{2-[5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine}palladium(II) bis(trifluoroacetate) trifluoroacetic acid disolvate","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S205698902400392X","","","0.71073","MoKα","","0.0466","0.0415","","","0.091","0.0953","","","","","","1.04","","","","has coordinates,has disorder","291492","2024-05-04","01:52:51",""
"2023119","12.7521","0.0006","8.9648","0.0004","16.6801","0.001","90","","111.057","0.001","90","","1779.54","0.16","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(2-chloro-<i>N</i>,<i>N</i>-dimethylethan-1-aminium) tetrachloridocobaltate(II)","","- C8 H22 Cl6 Co N2 -","- C8 H22 Cl6 Co N2 -","- C32 H88 Cl24 Co4 N8 -","4","0.5","EV2006","McGinness, Katelyn; Minton, Kim; White, Katelyn; Bond, Marcus R.","Bis(2-chloro-N,N-dimethylethan-1-aminium) tetrachloridocobaltate(II) and tetrachloridozincate(II)","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024003955","","","0.71073","MoKα","","0.0428","0.0302","","","","0.064","","","","","","1.088","","","","has coordinates,has disorder","291815","2024-05-11","01:50:41",""
"2023120","12.7297","0.0007","8.9784","0.0005","16.6837","0.0011","90","","111.062","0.002","90","","1779.43","0.18","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(2-chloro-<i>N</i>,<i>N</i>-dimethylethan-1-aminium) tetrachloridozincate(II)","","- C8 H22 Cl6 N2 Zn -","- C8 H22 Cl6 N2 Zn -","- C32 H88 Cl24 N8 Zn4 -","4","0.5","EV2006","McGinness, Katelyn; Minton, Kim; White, Katelyn; Bond, Marcus R.","Bis(2-chloro-N,N-dimethylethan-1-aminium) tetrachloridocobaltate(II) and tetrachloridozincate(II)","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024003955","","","0.71073","MoKα","","0.0421","0.0327","","","","0.0701","","","","","","1.116","","","","has coordinates,has disorder","291815","2024-05-11","01:50:42",""
"2023121","9.8042","0.0008","9.4258","0.0008","15.4065","0.0013","90","","108.455","0.003","90","","1350.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-4-Oxo-4-{phenyl[(thiophen-2-yl)methyl]amino}but-2-enoic acid","","- C15 H13 N O3 S -","- C15 H13 N O3 S -","- C60 H52 N4 O12 S4 -","4","1","JY2046","Podrezova, Alexandra G.; Nikitina, Eugeniya V.; Grigoriev, Mikhail S.; Akkurt, Mehmet; Hasanov, Khudayar I.; Sadikhov, Nurlana D.; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of (Z)-4-oxo-4-{phenyl[(thiophen-2-yl)methyl]amino}but-2-enoic acid","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024003967","","","0.71073","MoKα","","0.0536","0.0378","","","0.089","0.0974","","","","","","1.026","","","","has coordinates,has disorder","291816","2024-05-11","01:50:57",""
"2023122","11.023","0.0001","11.023","0.0001","34.4826","0.0004","90","","90","","120","","3628.53","0.06","297","2","297","2","","","","","","","","5","R -3 :H","-R 3","148","","Bis[hexakis(nitrato-κ^2^<i>O</i>,<i>O</i>')lanthanum(III)] tris[hexaaquanickel(II)] hexahydrate","","- H48 La2 N12 Ni3 O60 -","- H48 La2 N12 Ni3 O60 -","- H144 La6 N36 Ni9 O180 -","3","0.166667","TX2083","Bi, David Wenhua; Liu, Yong; Magrez, Arnaud","High-resolution crystal structure of the double nitrate hydrate [La(NO3)6]2[Ni(H2O)6]3·6H2O","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S205698902400327X","","","0.71073","MoKα","","0.0147","0.0134","","","0.0338","0.0342","","","","","","1.058","","","","has coordinates","291817","2024-05-11","01:51:13",""
"2023123","4.95281","0.00003","14.0515","0.0001","13.5208","0.0001","90","","95.1372","0.0006","90","","937.192","0.011","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(3<i>Z</i>)-4-[(4-Amino-1,2,5-oxadiazol-3-yl)amino]-3-bromo-1,1,1-trifluorobut-3-en-2-one","","- C6 H4 Br F3 N4 O2 -","- C6 H4 Br F3 N4 O2 -","- C24 H16 Br4 F12 N16 O8 -","4","1","TX2085","Guseinov, Firudin I.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Ovsyannikov, Viacheslav O.; Ugrak, Bogdan I.; Lavrova, Oksana M.; Samigullina, Aida I.; Bhattarai, Ajaya","Synthesis, crystal structure and Hirshfeld surface analysis of (3Z)-4-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-3-bromo-1,1,1-trifluorobut-3-en-2-one","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004080","","x-ray","1.54184","CuKα","","0.0278","0.0275","","","0.0649","0.0651","","","","","","1.093","","","","has coordinates,has disorder","291818","2024-05-11","01:51:27",""
"2023124","9.5331","0.0007","8.9358","0.0003","14.0279","0.0007","90","","107.49","0.007","90","","1139.73","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-Hydroxy-<i>N</i>,<i>N</i>-dimethyltryptamine","3-[2-(Dimethylamino)ethyl]-1<i>H</i>-indol-4-ol","","- C12 H16 N2 O -","- C12 H16 N2 O -","- C48 H64 N8 O4 -","4","1","HB8096","Zeller, Matthias; Parent, Stephan; Schultheiss, Nate","Structural characterization and comparative analysis of polymorphic forms of psilocin (4-hydroxy-N,N-dimethyltryptamine)","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004201","","","1.54184","CuKα","","0.0785","0.0645","","","0.2089","0.2207","","","","","","1.132","","","","has coordinates,has disorder","291856","2024-05-15","01:58:40",""
"2023125","10.4041","0.0004","8.5286","0.0003","12.4087","0.0004","90","","92.5663","0.0019","90","","1099.95","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N2 O -","- C12 H16 N2 O -","- C48 H64 N8 O4 -","4","1","HB8096","Zeller, Matthias; Parent, Stephan; Schultheiss, Nate","Structural characterization and comparative analysis of polymorphic forms of psilocin (4-hydroxy-N,N-dimethyltryptamine)","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004201","","","0.71073","MoKα","","0.0652","0.0458","","","0.1248","0.1381","","","","","","1.054","","","","has coordinates","291856","2024-05-15","01:58:42",""
"2023126","10.6228","0.0005","8.4984","0.0004","12.5073","0.0005","90","","90.807","0.002","90","","1129.01","0.09","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N2 O -","- C12 H16 N2 O -","- C48 H64 N8 O4 -","4","1","HB8096","Zeller, Matthias; Parent, Stephan; Schultheiss, Nate","Structural characterization and comparative analysis of polymorphic forms of psilocin (4-hydroxy-N,N-dimethyltryptamine)","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004201","","","0.71073","MoKα","","0.0971","0.0523","","","0.1459","0.1715","","","","","","1.033","","","","has coordinates","291856","2024-05-15","01:58:42",""
"2023127","5.7032","0.0001","24.2184","0.0005","11.8683","0.0002","90","","91.312","0.002","90","","1638.85","0.05","160","0.1","160","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[(1-Butyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-3-(prop-1-en-2-yl)-1<i>H</i>-benzimidazol-2-one","","- C17 H21 N5 O -","- C17 H21 N5 O -","- C68 H84 N20 O4 -","4","1","WM5715","El Atrassi, Zakaria; Zouhair, Mustapha; Blacque, Olivier; Hökelek, Tuncer; Haoudi, Amal; Mazzah, Ahmed; Cherkaoui, Hassan; Sebbar, Nada Kheira","Crystal structure, Hirshfeld surface analysis, calculations of intermolecular interaction energies and energy frameworks and the DFT-optimized molecular structure of 1-[(1-butyl-1H-1,2,3-triazol-4-yl)methyl]-3-(prop-1-en-2-yl)-1H-benzimidazol-2-one","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004043","","x-ray","1.54184","CuKα","","0.0409","0.0336","","","0.0803","0.0855","","","","","","1.051","","","","has coordinates","291857","2024-05-15","01:58:59",""
"2023128","12.2214","0.0002","7.023","0.0001","13.0537","0.0003","90","","94.511","0.002","90","","1116.94","0.04","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","pentaaminecopper(II) chloride urea","Pentaaminecopper(II) dichloride–urea (1/1)","","- C H19 Cl2 Cu N7 O -","- C H19 Cl2 Cu N7 O -","- C4 H76 Cl8 Cu4 N28 O4 -","4","1","OO2003","Breen, Olivia D.; Keene, Tony D.","Crystal structure and Hirshfeld surface of a pentaaminecopper(II) complex with urea and chloride","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004298","","x-ray","1.54184","CuKα","","0.035","0.0332","","","0.0903","0.092","","","","","","1.078","","","","has coordinates","291858","2024-05-15","01:59:17",""
"2023129","5.1052","0.0003","5.1052","0.0003","11.08","0.0007","90","","90","","90","","288.78","0.03","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","Lithium lutetium bis[orthomolybdate(VI)]","","- Li Lu Mo2 O8 -","- Li Lu Mo2 O8 -","- Li2 Lu2 Mo4 O16 -","2","0.125","WM5719","Hartenbach, Ingo; Hertweck, Robin F.","Mixed occupancy: the crystal structure of scheelite-type LiLu[MoO4]2","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004365","","x-ray","0.56083","AgKα","","0.0579","0.0186","","","0.0425","0.0483","","","","","","0.958","","","","has coordinates","291949","2024-05-18","01:51:20",""
"2023130","9.0384","0.0003","9.4484","0.0004","14.9524","0.0006","77.267","0.001","83.991","0.001","72.708","0.001","1188.16","0.08","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","1-[3-(2-Oxo-3-phenyl-1,2-dihydroquinoxalin-1-yl)propyl]-3-phenyl-1,2-dihydroquinoxalin-2-one","","- C31 H24 N4 O2 -","- C31 H24 N4 O2 -","- C62 H48 N8 O4 -","2","1","VM2302","Abad, Nadeem; Mague, Joel T.; Alsubari, Abdulsalam; Essassi, El Mokhtar; Alzahrani, Abdullah Yahya Abdullah; Ramli, Youssef","Synthesis, crystal structure and Hirshfeld surface analysis of 1-[3-(2-oxo-3-phenyl-1,2-dihydroquinoxalin-1-yl)propyl]-3-phenyl-1,2-dihydroquinoxalin-2-one","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004377","","","0.71073","MoKα","","0.0665","0.0461","","","0.1319","0.1397","","","","","","1.081","","","","has coordinates","291950","2024-05-18","01:51:35",""
"2023131","16.9184","0.0013","6.523","0.0005","17.2645","0.0011","90","","111.822","0.004","90","","1768.8","0.2","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3,3'-[Ethane-1,2-diylbis(oxy)]bis(5,5-dimethylcyclohex-2-en-1-one)","","- C18 H26 O4 -","- C18 H26 O4 -","- C72 H104 O16 -","4","0.5","NX2010","Sadikhova, Nurlana D.; Akkurt, Mehmet; Ismayilov, Valeh M.; Yusubov, Niftali N.; Hasanov, Khudayar I.; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of 3,3′-[ethane-1,2-diylbis(oxy)]bis(5,5-dimethylcyclohex-2-en-1-one) including an unknown solvate","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004286","","","0.71073","MoKα","","0.0672","0.0452","","","0.1066","0.118","","","","","","1.036","","","","has coordinates","291951","2024-05-18","01:51:49",""
"2023132","15.612","0.002","12.7649","0.0017","17.18","0.004","90","","116.243","0.005","90","","3070.8","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(4,4-dimethyl-2-phenyl-2-oxazoline-κ<i>N</i>)(hexamethyldisilylamido-κ<i>N</i>)lithium","","- C28 H44 Li N3 O2 Si2 -","- C28 H44 Li N3 O2 Si2 -","- C112 H176 Li4 N12 O8 Si8 -","4","0.5","EJ2003","Carneiro Neto, José Severiano; Iwaya, Eduardo Mariano; Santana, Francielli Sousa; Soares, Jaísa Fernandes","Crystal structure of a three-coordinate lithium complex with monodentate phenyloxazoline and hexamethyldisilylamide ligands","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004237","","","0.71073","MoKα","","0.0492","0.0352","","","0.0865","0.0915","","","","","","1.039","","","","has coordinates","291952","2024-05-18","01:52:11",""
"2023133","12.9631","0.0011","11.3802","0.0005","13.1675","0.0011","90","","117.624","0.006","90","","1721.1","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4,4'-(Disulfanediyl)dipyridinium chloride triiodide","","- C10 H10 Cl I3 N2 S2 -","- C10 H10 Cl I3 N2 S2 -","- C40 H40 Cl4 I12 N8 S8 -","4","1","EE2006","Podda, Enrico; Aragoni, M. Carla; Caltagirone, Claudia; De Filippo, Greta; Garau, Alessandra; Lippolis, Vito; Mancini, Annalisa; Pintus, Anna; Orton, James B.; Coles, Simon J.; Arca, Massimiliano","Crystal structure of 4,4′-(disulfanediyl)dipyridinium chloride triiodide","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004213","","","0.71073","MoKα","","0.0259","0.022","","","0.0451","0.0463","","","","","","1.134","","","","has coordinates","291978","2024-05-22","01:52:43",""
"2023134","13.151","0.0004","8.5584","0.0002","18.2071","0.0006","90","","105.714","0.003","90","","1972.65","0.1","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[4-Methoxy-5-(2-methoxy-2-oxoethoxy)-2-(prop-2-en-1-yl)phenyl](quinolin-8-olato)platinum(II)","","- C22 H21 N O5.47 Pt -","- C22 H21 N O5.474 Pt -","- C88 H84 N4 O21.896 Pt4 -","4","1","PK2707","Chi, Nguyen Thi Thanh; Van Thong, Pham; Thang, Nguyen Manh; Thao, Pham Ngoc; Van Meervelt, Luc","Synthesis and crystal structures of three organoplatinum(II) complexes bearing natural arylolefin and quinoline derivatives","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004572","","x-ray","0.71073","MoKα","","0.0256","0.0212","","","0.0511","0.0543","","","","","","1.102","","","","has coordinates","291979","2024-05-22","01:53:47",""
"2023135","8.2857","0.0004","18.5001","0.0009","14.6282","0.0007","90","","102.014","0.005","90","","2193.19","0.19","100.02","0.1","100.02","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[4-Methoxy-5-(2-oxo-2-propoxyethoxy)-2-(prop-2-en-1-yl)phenyl](quinoline-2-carboxylato)platinum(II)","","- C25 H25 N O6 Pt -","- C25 H25 N O6 Pt -","- C100 H100 N4 O24 Pt4 -","4","1","PK2707","Chi, Nguyen Thi Thanh; Van Thong, Pham; Thang, Nguyen Manh; Thao, Pham Ngoc; Van Meervelt, Luc","Synthesis and crystal structures of three organoplatinum(II) complexes bearing natural arylolefin and quinoline derivatives","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004572","","x-ray","0.71073","MoKα","","0.0415","0.0334","","","0.0653","0.0701","","","","","","1.051","","","","has coordinates","291979","2024-05-22","01:53:50",""
"2023136","14.576","0.002","11.0945","0.0009","15.7","0.002","90","","117.197","0.018","90","","2258.2","0.6","114","7","114","7","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorido[4-methoxy-5-(2-oxo-2-propoxyethoxy)-2-(prop-2-en-1-yl)phenyl]\ (quinoline)platinum(II)","","- C24 H26 Cl N O4 Pt -","- C24 H26 Cl N O4 Pt -","- C96 H104 Cl4 N4 O16 Pt4 -","4","1","PK2707","Chi, Nguyen Thi Thanh; Van Thong, Pham; Thang, Nguyen Manh; Thao, Pham Ngoc; Van Meervelt, Luc","Synthesis and crystal structures of three organoplatinum(II) complexes bearing natural arylolefin and quinoline derivatives","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004572","","","0.71073","MoKα","","0.0395","0.0296","","","0.0515","0.0556","","","","","","1.039","","","","has coordinates,has disorder","291979","2024-05-22","01:53:50",""
"2023137","8.8641","0.0003","22.0075","0.0006","6.2771","0.0002","90","","90","","90","","1224.52","0.07","100","","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","2,9-Diamino-5,6,11,12-tetrahydrodibenzo[a,e][8]annulene","","- C16 H18 N2 -","- C16 H18 N2 -","- C64 H72 N8 -","4","1","VM2301","Valdez, Nichole; Nagel, Eric; Redline, Erica; Rodriguez, Mark; Staiger, Chad; Dugger, Jason; Foster, Jeffrey","Synthesis and crystal structure of 2,9-diamino-5,6,11,12-tetrahydrodibenzo[a,e]cyclooctene","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004468","","","1.54178","CuKα","","0.0593","0.0459","","","0.0982","0.1063","","","","","","1.081","","","","has coordinates","291980","2024-05-22","01:54:23",""
"2023138","6.8597","0.0002","10.8855","0.0004","12.8106","0.0005","107.566","0.001","100.523","0.001","106.799","0.001","834.02","0.05","296","","296","","","","","","","","","5","P -1","-P 1","2","","Poly[di-μ~3~-chlorido-di-μ~2~-chlorido-[4-methyl-<i>N</i>-(pyridin-2-ylmethylidene)aniline]dicadmium(II)]","","- C13 H12 Cd2 Cl4 N2 -","- C13 H12 Cd2 Cl4 N2 -","- C26 H24 Cd4 Cl8 N4 -","2","1","WM5718","Theppitak, Chatphorn; Laksee, Sakchai; Chainok, Kittipong","Synthesis, crystal structure and properties of poly[di-μ3-chlorido-di-μ2-chlorido-bis[4-methyl-N-(pyridin-2-ylmethylidene)aniline]dicadmium(II)]","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004274","","x-ray","0.71073","MoKα","","0.0546","0.0303","","","0.0588","0.0655","","","","","","1.027","","","","has coordinates","291981","2024-05-22","01:54:41",""
"2023139","10.4506","0.0004","15.6166","0.0006","22.3537","0.0009","90","","90.417","0.002","90","","3648.1","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(5,10,15,20-tetrakis(1-benzylpyridin-1-ium-4-yl)-21<i>H</i>,23<i>H</i>-porphyrin)calcium(II) tetrakis(trifluoromethanesulfonate) tetrahydrate","","- C72 H61.81 Ca0.1 F12 N8 O16 S4 -","- C72 H61.808 Ca0.096 F12 N8 O16 S4 -","- C144 H123.616 Ca0.192 F24 N16 O32 S8 -","2","0.5","NY2004","Salomón-Flores, María K.; Valdes-García, Josue; Martínez-Otero, Diego; Dorazco-González, Alejandro","Trifluoromethanesulfonate salt of 5,10,15,20-tetrakis(1-benzylpyridin-1-ium-4-yl)-21H,23H-porphyrin and its CaII complex","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S205698902400447X","","","1.54178","CuKα","","0.0464","0.0425","","","0.1212","0.1258","","","","","","1.035","","","","has coordinates,has disorder","291982","2024-05-22","01:55:03",""
"2023140","5.526","0.0001","8.5012","0.0001","10.1076","0.0002","110.91","0.002","98.128","0.001","96.006","0.001","432.885","0.014","100","2","100","2","","","","","","","","5","P 1","P 1","1","","Dimethyl 2-oxo-4-(pyridin-2-yl)-6-(thiophen-2-yl)cyclohex-3-ene-1,3-dicarboxylate","","- C19 H17 N O5 S -","- C19 H17 N O5 S -","- C19 H17 N O5 S -","1","1","OI2007","Naghiyev, Farid N.; Khrustalev, Victor N.; Akkurt, Mehmet; Huseynov, Elnur Z.; Bhattarai, Ajaya; Khalilov, Ali N.; Mamedov, İbrahim G.","Crystal structure and Hirshfeld surface analysis of dimethyl 2-oxo-4-(pyridin-2-yl)-6-(thiophen-2-yl)cyclohex-3-ene-1,3-dicarboxylate","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004687","","","1.54184","CuKα","","0.0227","0.0226","","","0.0586","0.0586","","","","","","1.063","","","","has coordinates","292030","2024-05-25","01:50:14",""
"2023141","14.1382","0.0005","15.3202","0.0005","18.3835","0.0007","72.09","0.0018","69.6031","0.0019","74.6737","0.0018","3495.8","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(6,9-Diacetyl-5,10,15,20-tetraphenylsecochlorinato)nickel(II)","","- C46 H32 N4 Ni O2 -","- C46 H32 N4 Ni O2 -","- C184 H128 N16 Ni4 O8 -","4","2","YY2012","Sharma, Meenakshi; Brückner, Christian; Zeller, Matthias","Crystal structure of (6,9-diacetyl-5,10,15,20-tetraphenylsecochlorinato)nickel(II)","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004717","","","0.71073","MoKα","","0.061","0.038","","","0.0915","0.103","","","","","","1.014","","","","has coordinates","292031","2024-05-25","01:50:52",""
"2023142","13.5009","0.0005","6.413","0.0002","17.9147","0.0007","90","","103.606","0.004","90","","1507.55","0.1","99.99","0.1","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-(1,3-Benzothiazol-2-yl)-3-(4-bromobenzoyl)thiourea","","- C15 H10 Br N3 O S2 -","- C15 H10 Br N3 O S2 -","- C60 H40 Br4 N12 O4 S8 -","4","1","PK2706","Sow, Salif; Thiam, Mariama; Odame, Felix; Thiam, Elhadj Ibrahima; Diouf, Ousmane; Ellena, Javier; Gaye, Mohamed; Tshentu, Zenixole","Crystal structure of 1-(1,3-benzothiazol-2-yl)-3-(4-bromobenzoyl)thiourea","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","663","666","10.1107/S2056989024004742","","","0.71073","MoKα","","0.0334","0.024","","","0.0541","0.057","","","","","","1.026","","","","has coordinates","292154","2024-06-01","02:13:05",""
"2023143","18.0071","0.0003","18.0071","0.0003","62.9142","0.0009","90","","90","","120","","17667.2","0.5","298","","298","","","","","","","","","5","R -3 :H","-R 3","148","","Pentasodium nonadecacesium tetracosatungstate(VI) heneikosahydrate","","- Cs19 H42 Na5 O105 W24 -","- Cs19 Na4.9999 O105 W24 -","- Cs114 Na29.9994 O630 W144 -","6","0.333333","WM5717","Deblonde, Gauthier; Colliard, Ian","Synthesis and structural characterization of a hydrated sodium–caesium tetracosatungstate(VI), Na5Cs19[W24O84]·21H2O","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","667","670","10.1107/S2056989024004778","","","0.71073","MoKα","","0.0645","0.0617","","","0.1669","0.1704","","","","","","1.079","","","","has coordinates","292155","2024-06-01","02:13:27",""
"2023144","8.2188","0.0004","13.8709","0.0007","20.837","0.0011","90","","96.062","0.002","90","","2362.2","0.2","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Ethyl 2-[(2-oxo-2<i>H</i>-chromen-6-yl)oxy]acetate","","- C13 H12 O5 -","- C13 H12 O5 -","- C104 H96 O40 -","8","1","JY2047","Goyal, Navneet; Donahue, James P.; Thompson, Anthony; Zhang, Xiaodong; Mague, Joel T.; Foroozesh, Maryam","Ethyl 2-[(2-oxo-2H-chromen-6-yl)oxy]acetate","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","659","662","10.1107/S2056989024004729","","","0.71073","MoKα","","0.0467","0.0383","","","0.1066","0.1154","","","","","","1.076","","","","has coordinates","292156","2024-06-01","02:13:43",""
"2023145","19.0089","0.0007","9.7403","0.0003","16.7516","0.0006","90","","113.37","0.003","90","","2847.15","0.18","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diisothiocyanatotetrakis(4-methylpyridine)cobalt(II)","","- C26 H28 Co N6 S2 -","- C26 H28 Co N6 S2 -","- C104 H112 Co4 N24 S8 -","4","1","JP2006","Näther, Christian; Jochim, Aleksej","Synthesis, crystal structure and thermal properties of a new polymorphic modification of diisothiocyanatotetrakis(4-methylpyridine)cobalt(II)","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","677","681","10.1107/S2056989024004997","","","0.71073","MoKα","","0.0661","0.0579","","","0.1592","0.1638","","","","","","1.099","","","","has coordinates","292157","2024-06-01","02:13:59",""
"2023146","7.979","0.006","11.1","0.008","17.54","0.014","90","","99.04","0.03","90","","1534","2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(Bromomethyl)-3-methyl-1-(phenylsulfonyl)-1<i>H</i>-indole","","- C16 H14 Br N O2 S -","- C16 H14 Br N O2 S -","- C64 H56 Br4 N4 O8 S4 -","4","1","NU2005","Madhan, S.; NizamMohideen, M.; Harikrishnan, K.; MohanaKrishnan, Arasambattu K.","The crystal structures and Hirshfeld surface analysis of three new bromo-substituted 3-methyl-1-(phenylsulfonyl)-1H-indole derivatives","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","682","690","10.1107/S2056989024004985","","","0.71073","MoKα","","0.0771","0.0456","","","0.1018","0.1178","","","","","","1.098","","","","has coordinates","292158","2024-06-01","02:14:27",""
"2023147","8.4252","0.0009","28.669","0.003","8.9462","0.0011","90","","95.445","0.004","90","","2151.1","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[(<i>E</i>)-2-(2-Bromo-5-methoxyphenyl)ethenyl]-3-methyl-1-(phenylsulfonyl)-1<i>H</i>-indole","","- C24 H20 Br N O3 S -","- C24 H20 Br N O3 S -","- C96 H80 Br4 N4 O12 S4 -","4","1","NU2005","Madhan, S.; NizamMohideen, M.; Harikrishnan, K.; MohanaKrishnan, Arasambattu K.","The crystal structures and Hirshfeld surface analysis of three new bromo-substituted 3-methyl-1-(phenylsulfonyl)-1H-indole derivatives","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","682","690","10.1107/S2056989024004985","","","0.71073","MoKα","","0.0622","0.0391","","","0.088","0.0985","","","","","","1.029","","","","has coordinates","292158","2024-06-01","02:14:36",""
"2023148","12.553","0.0008","8.3533","0.0005","19.7698","0.0011","90","","107.078","0.002","90","","1981.6","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-[(<i>E</i>)-2-(2-Bromophenyl)ethenyl]-3-methyl-1-(phenylsulfonyl)-1<i>H</i>-indole","","- C23 H18 Br N O2 S -","- C23 H18 Br N O2 S -","- C92 H72 Br4 N4 O8 S4 -","4","1","NU2005","Madhan, S.; NizamMohideen, M.; Harikrishnan, K.; MohanaKrishnan, Arasambattu K.","The crystal structures and Hirshfeld surface analysis of three new bromo-substituted 3-methyl-1-(phenylsulfonyl)-1H-indole derivatives","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","682","690","10.1107/S2056989024004985","","","0.71073","MoKα","","0.0495","0.0362","","","0.0792","0.0865","","","","","","1.099","","","","has coordinates","292158","2024-06-01","02:14:36",""
"2023149","10.689","0.006","11.321","0.006","19.03","0.011","75.306","0.007","84.362","0.007","86.829","0.007","2216","2","296.15","","296.15","","","","","","","","","8","P -1","-P 1","2","","Tetraethylammonium triazidotri-μ~3~-sulfido-[μ~3~-(trimethylsilyl)azanediido][tris(3,5-dimethylpyrazol-1-yl)hydroborato]triiron(+2.33)molybdenum(VI)","","- C26 H51 B Fe3 Mo N17 S3 Si -","- C26 H51 B Fe3 Mo N17 S3 Si -","- C52 H102 B2 Fe6 Mo2 N34 S6 Si2 -","2","1","OI2008","Li, Yue; Wei, Jia; Han, Jie; Chen, Xu-Dong","Synthesis and crystal structure of the cluster (Et4N)[(Tp*)MoFe3S3(μ3-NSiMe3)(N3)3]","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","691","694","10.1107/S2056989024004833","","","0.71073","MoKα","","0.0371","0.0272","","","0.0659","0.0709","","","","","","1.021","","","","has coordinates","292159","2024-06-01","02:14:55",""
"2023150","18.6922","0.0005","18.7278","0.0005","24.4009","0.0006","89.992","0.002","70.083","0.001","85.978","0.002","8008.6","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","2,8,14,20-Tetrahexyl-6,10:12,16:18,22:24,4-O,O'-tetrakis(quinoxaline-2,3-diyl)calix[4]resorcinarene–benzonitrile (1/2)","","- C98 H90 N10 O8 -","- C98 H90 N10 O8 -","- C392 H360 N40 O32 -","4","2","JW2007","Pinalli, Roberta; Massera, Chiara","Structural characterization of the supramolecular complex between a tetraquinoxaline-based cavitand and benzonitrile","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","671","676","10.1107/S205698902400481X","","","1.54178","CuKα","","0.0887","0.0644","","","0.1697","0.1895","","","","","","1.018","","","","has coordinates,has disorder","292160","2024-06-01","02:15:16",""
"2023151","35.421","0.003","9.928","0.0005","7.1277","0.0003","90","","95.396","0.005","90","","2495.4","0.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H8 N3 O5 Zn -","- C11 H8 N3 O5 Zn -","- C88 H64 N24 O40 Zn8 -","8","1","","Farahmand Kateshali, Arash; Soleimannejad, Janet; Janczak, Jan","Ultrasound-assisted synthesis of a Eu3±functionalized ZnII coordination polymer as a fluorescent dual detection probe for highly sensitive recognition of HgII and L-Cys","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2024","80","3","208","218","10.1107/S2052520624003019","","","0.71073","MoKα","","0.0705","0.064","","","0.1602","0.1638","","","","","","1.042","","","","has coordinates","292197","2024-06-05","02:08:31",""
"2023152","7.6794","0.0016","20.987","0.004","10.0514","0.0019","90","","95.123","0.003","90","","1613.5","0.5","100","","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-[1'-(Carboxymethyl)-4,4'-bipyridine-1,1'-diium-1-yl]acetate tetrafluoroborate","","- C14 H14 B F4 N2 O4.5 -","- C14 H13 B F4 N2 O4.5 -","- C56 H52 B4 F16 N8 O18 -","4","1","JP2007","Kumagai, Hitoshi; Kawata, Satoshi; Ogihara, Nobuhiro","Crystal structures of 1,1'-bis-(carb-oxy-meth-yl)-4,4'-bipyridinium derivatives.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","695","698","10.1107/S2056989024005127","","","0.71075","MoKα","","0.0589","0.051","","","0.1255","0.1315","","","","","","1.051","","","","has coordinates,has disorder","293987","2024-08-06","22:03:55",""
"2023153","6.2521","0.0002","11.4122","0.0004","11.1413","0.0004","90","","99.4832","0.0014","90","","784.07","0.05","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1'-Bis(carboxylatomethyl)-4,4'-bipyridine-1,1'-diium","","- C14 H20 N2 O8 -","- C14 H20 N2 O8 -","- C28 H40 N4 O16 -","2","0.5","JP2007","Kumagai, Hitoshi; Kawata, Satoshi; Ogihara, Nobuhiro","Crystal structures of 1,1'-bis-(carb-oxy-meth-yl)-4,4'-bipyridinium derivatives.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","695","698","10.1107/S2056989024005127","","","0.71075","MoKα","","0.0494","0.0479","","","0.1211","0.1227","","","","","","1.11","","","","has coordinates","293987","2024-08-06","22:03:55",""
"2023154","9.22549","0.0001","20.8037","0.0002","15.87594","0.00019","90","","92.7309","0.0011","90","","3043.52","0.06","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Phenyl-2-(thiophen-3-yl)-2,3-dihydro-4<i>H</i>-pyrido[3,2-<i>e</i>][1,3]thiazin-4-one","","- C17 H12 N2 O S2 -","- C17 H12 N2 O S2 -","- C136 H96 N16 O8 S16 -","8","2","TX2086","Yennawar, Hemant P.; Mal, Tapas K.; Olsen, Mark A.; Lagalante, Anthony F.; Louca, Evelyn M.; Gavalis, Aloura D.; Silverberg, Lee J.","Synthesis and crystal structures of two racemic 2-heteroaryl-3-phenyl-2,3-di-hydro-4<i>H</i>-pyrido[3,2-<i>e</i>][1,3]thia-zin-4-ones.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","699","703","10.1107/S2056989024005103","","x-ray","1.54184","CuKα","","0.0447","0.0352","","","0.091","0.0962","","","","","","1.073","","","","has coordinates,has disorder","294010","2024-08-06","22:08:33",""
"2023155","28.2424","0.0004","11.0307","0.0001","28.6936","0.0004","90","","111.952","0.002","90","","8290.9","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(1<i>H</i>-Indol-3-yl)-3-phenyl-2,3-dihydro-4<i>H</i>-pyrido[3,2-<i>e</i>][1,3]thiazin-4-one 0.438-hydrate","","- C21 H15.438 N3 O1.44 S -","- C21 H15 N3 O1.4375 S -","- C336 H240 N48 O23 S16 -","16","2","","Yennawar, Hemant P.; Mal, Tapas K.; Olsen, Mark A.; Lagalante, Anthony F.; Louca, Evelyn M.; Gavalis, Aloura D.; Silverberg, Lee J.","Synthesis and crystal structures of two racemic 2-heteroaryl-3-phenyl-2,3-di-hydro-4<i>H</i>-pyrido[3,2-<i>e</i>][1,3]thia-zin-4-ones.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","699","703","10.1107/S2056989024005103","","x-ray","1.54184","CuKα","","0.0757","0.0677","","","0.2064","0.2179","","","","","","1.091","","","","has coordinates,has disorder","294010","2024-08-06","22:08:33",""
"2023156","9.3825","0.0001","39.9164","0.0003","15.992","0.0001","90","","104.217","0.001","90","","5805.82","0.09","100.15","","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diisoselenocyanatotetrakis(2-methylpyridine <i>N</i>-oxide)cobalt(II)","","- C26 H28 Co N6 O4 Se2 -","- C26 H28 Co N6 O4 Se2 -","- C208 H224 Co8 N48 O32 Se16 -","8","2","HB8098","Näther, Christian; Jess, Inke","Syntheses and crystal structures of the five- and sixfold coordinated complexes diiso-seleno-cyanato-tris-(2-methyl-pyridine <i>N</i>-oxide)cobalt(II) and diiso-seleno-cyanato-tetra-kis-(2-methyl-pyridine <i>N</i>-oxide)cobalt(II).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","704","708","10.1107/S2056989024005073","","x-ray","1.54184","CuKα","","0.0402","0.0379","","","0.1068","0.1085","","","","","","1.046","","","","has coordinates","294011","2024-08-06","22:08:45",""
"2023157","12.07686","0.00006","26.47661","0.00016","7.25623","0.00004","90","","104.276","0.0005","90","","2248.56","0.02","99.99","0.1","99.99","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","Diisoselenocyanatotris(2-methylpyridine <i>N</i>-oxide)cobalt(II)","","- C20 H21 Co N5 O3 Se2 -","- C20 H21 Co N5 O3 Se2 -","- C80 H84 Co4 N20 O12 Se8 -","4","1","HB8098","Näther, Christian; Jess, Inke","Syntheses and crystal structures of the five- and sixfold coordinated complexes diiso-seleno-cyanato-tris-(2-methyl-pyridine <i>N</i>-oxide)cobalt(II) and diiso-seleno-cyanato-tetra-kis-(2-methyl-pyridine <i>N</i>-oxide)cobalt(II).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","704","708","10.1107/S2056989024005073","","x-ray","1.54184","CuKα","","0.0197","0.0195","","","0.0619","0.0621","","","","","","0.829","","","","has coordinates","294011","2024-08-06","22:08:46",""
"2023158","6.6419","0.0016","7.6512","0.0019","15.837","0.004","99.458","0.006","98.02","0.006","97.046","0.006","777.3","0.3","301","2","301","2","","","","","","","","5","P -1","-P 1","2","","6,6'-Dimethyl-2,2'-bipyridine-1,1'-diium tetrachloridocobaltate(II)","","- C12 H14 Cl4 Co N2 -","- C12 H14 Cl4 Co N2 -","- C24 H28 Cl8 Co2 N4 -","2","1","HB8095","Jagadeesan, Sivaraman; Robert, Swinton Darious; Venkatesan, Perumal; Sundararaj, Rajamanikandan; Soundararajan, Krishnan; Nithianantham, Jeeva Jasmine","Crystal structure and Hirshfeld surface analysis of 6,6'-dimethyl-2,2'-bi-pyridine-1,1'-diium tetra-chlorido-cobaltate(II).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","709","712","10.1107/S2056989024005152","","","0.71073","MoKα","","0.0305","0.0291","","","0.0798","0.0811","","","","","","1.029","","","","has coordinates","293994","2024-08-06","22:05:22",""
"2023159","16.6906","0.0003","16.6906","0.0003","9.1346","0.0002","90","","90","","120","","2203.76","0.07","180","2","180","2","","","","","","","","6","P -3","-P 3","147","","Tris{<i>N</i>,<i>N</i>-diethyl-<i>N</i>'-[(4-nitrophenyl)(oxo)methyl]carbamimidothioato}cobalt(III)","","- C36 H42 Co N9 O9 S3 -","- C36 H42 Co N9 O9 S3 -","- C72 H84 Co2 N18 O18 S6 -","2","0.333333","NX2011","Roecker, Lee; Parkin, Sean","Crystal structure of tris-{<i>N</i>,<i>N</i>-diethyl-<i>N</i>'-[(4-nitro-phen-yl)(oxo)meth-yl]carbamimido-thio-ato}cobalt(III).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","713","716","10.1107/S2056989024005449","","","1.54178","CuKα","","0.0311","0.0299","","","0.0823","0.0833","","","","","","1.083","","","","has coordinates","294005","2024-08-06","22:07:38",""
"2023160","12.4181","0.0008","13.8092","0.0008","17.6498","0.0011","90","","93.36","0.002","90","","3021.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris(μ~2~-perfluoro-<i>o</i>-phenylene)(μ~2~-3-phenyl-4<i>H</i>-chromen-4-one)-<i>triangulo</i>-trimercury","","- C33 H10 F12 Hg3 O2 -","- C33 H10 F12 Hg3 O2 -","- C132 H40 F48 Hg12 O8 -","4","1","DJ2077","Novikov, Egor M.; Castañeda, Raúl; Fonari, Marina S.; Timofeeva, Tatiana V.","A 1:1 flavone cocrystal with cyclic trimeric perfluoro-<i>o</i>-phenyl-enemercury.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","717","720","10.1107/S2056989024005346","","x-ray","0.71073","MoKα","","0.0313","0.0232","","","0.0497","0.0521","","","","","","1.051","","","","has coordinates","293992","2024-08-06","22:05:06",""
"2023161","6.2517","0.0002","5.4935","0.0002","14.5686","0.0006","90","","91.147","0.004","90","","500.24","0.03","90","0.5","90","0.5","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>L</i>-Glycyl-<i>L</i>-methionine","","- C7 H14 N2 O3 S -","- C7 H14 N2 O3 S -","- C14 H28 N4 O6 S2 -","2","1","HB8099","Babu, Sainath; Fronczek, Frank R.; Uppu, Rao M.; Claville, Michelle O.","Crystal structures of the isomeric dipeptides l-glycyl-l-me-thio-nine and l-me-thionyl-l-glycine.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","725","728","10.1107/S2056989024005504","","","0.71073","MoKα","","0.0399","0.0332","","","0.0756","0.0792","","","","","","1.044","","","","has coordinates","294001","2024-08-06","22:06:49",""
"2023162","5.2521","0.0003","11.4126","0.0007","16.5403","0.001","90","","90","","90","","991.43","0.1","90","0.5","90","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>L</i>-Methionyl-<i>L</i>-glycine","","- C7 H14 N2 O3 S -","- C7 H14 N2 O3 S -","- C28 H56 N8 O12 S4 -","4","1","HB8099","Babu, Sainath; Fronczek, Frank R.; Uppu, Rao M.; Claville, Michelle O.","Crystal structures of the isomeric dipeptides l-glycyl-l-me-thio-nine and l-me-thionyl-l-glycine.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","725","728","10.1107/S2056989024005504","","","0.71073","MoKα","","0.0251","0.0231","","","0.0603","0.0612","","","","","","1.055","","","","has coordinates","294001","2024-08-06","22:06:51",""
"2023163","22.9963","0.0003","22.9963","0.0003","22.9963","0.0003","90","","90","","90","","12161.1","0.3","298","","298","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","Caesium thallium chloride phosphotungstate","","- Cl30 Cs36 O160 P4 Tl2 W48 -","- Cl30 Cs36 O160 P4 Tl2 W48 -","- Cl60 Cs72 O320 P8 Tl4 W96 -","2","0.0104167","OX2004","Deblonde, Gauthier; Colliard, Ian","Crystal structure of hexa-chloro-thallate within a caesium chloride-phospho-tungstate lattice Cs<sub>9</sub>(TlCl<sub>6</sub>)(PW<sub>12</sub>O<sub>40</sub>)<sub>2</sub>·9CsCl.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","721","724","10.1107/S2056989024005565","","","0.71073","MoKα","","0.0438","0.0416","","","0.1147","0.1158","","","","","","1.197","","","","has coordinates","294002","2024-08-06","22:07:09",""
"2023164","18.5651","0.0009","7.6604","0.0004","15.4897","0.0011","90","","95.472","0.002","90","","2192.8","0.2","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>N</i>-{2-[(2-Aminoethyl)amino]ethyl}-4'-methyl-[1,1'-biphenyl]-4-sulfonamidato)tricarbonylrhenium(I)","","- C20 H22 N3 O5 Re S -","- C20 H22 N3 O5 Re S -","- C80 H88 N12 O20 Re4 S4 -","4","1","VM2303","Kaluthanthiri, Dinithi; Perera, Theshini; Fronczek, Frank R.","Synthesis, spectroscopic analysis and crystal structure of (<i>N</i>-{2-[(2-amino-eth-yl)amino]-eth-yl}-4'-methyl-[1,1'-biphenyl]-4-sulfonamidato)tri-carb-on-ylrhenium(I).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","742","745","10.1107/S2056989024005656","","","0.71073","MoKα","","0.0639","0.0348","","","0.0617","0.0706","","","","","","1.083","","","","has coordinates","293989","2024-08-06","22:04:26",""
"2023165","4.8817","0.0001","16.8263","0.0002","22.4354","0.0002","90","","90.675","0.001","90","","1842.74","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bis(2-aminobenzimidazolium) <i>catena</i>-[metavanadate(V)]","<i>catena</i>-Poly[2-aminobenzimidazolium [[dioxidovanadium(V)]-μ-oxido]]","","- C14 H16 N6 O6 V2 -","- C14 H16 N6 O6 V2 -","- C56 H64 N24 O24 V8 -","4","1","WM5720","Jabborova, Kholida; Ashurov, Jamshid; Tojiboev, Akmaljon; Daminova, Shahlo","Synthesis and crystal structure of bis-(2-aminobenzimidazolium) <i>catena</i>-[metavanadate(V)].","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","751","754","10.1107/S2056989024005528","","","1.54184","CuKα","","0.0308","0.0299","","","0.0829","0.0835","","","","","","1.071","","","","has coordinates","293993","2024-08-06","22:05:14",""
"2023166","9.9343","0.0002","10.9767","0.0003","26.4168","0.0006","86.993","0.002","82.468","0.002","77.3","0.002","2785.09","0.12","99.96","0.18","99.96","0.18","","","","","","","","8","P -1","-P 1","2","","Tricarbonyl[η^4^-6-<i>exo</i>-(triphenylphosphino)cyclohepta-2,4-dien-1-one]\ iron(0) tetrafluoroborate dichloromethane hemisolvate","","- C28.5 H23 B Cl F4 Fe O4 P -","- C28.5 H23 B Cl F4 Fe O4 P -","- C114 H92 B4 Cl4 F16 Fe4 O16 P4 -","4","2","VU2002","Wong, Kelsey C.; Reinheimer, Eric W.; Nataro, Chip; Griffith, Daniel R.","Crystal structure of tricarbon-yl[η<sup>4</sup>-6-<i>exo</i>-(tri-phenyl-phosphino)cyclo-hepta-2,4-dien-1-one]iron(0) tetra-fluoro-borate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","746","750","10.1107/S2056989024005747","","x-ray","0.71073","MoKα","","0.0606","0.0409","","","0.0957","0.1032","","","","","","1.029","","","","has coordinates","293995","2024-08-06","22:05:33",""
"2023167","16.3717","0.0007","6.3844","0.0003","16.185","0.0008","90","","116.649","0.006","90","","1512","0.15","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(2-methylpyridine)gold(I) dibromidoaurate(I)","","- C12 H14 Au2 Br2 N2 -","- C12 H14 Au2 Br2 N2 -","- C48 H56 Au8 Br8 N8 -","4","0.5","YZ2055","Döring, Cindy; Jones, Peter G.","Crystal structures of four gold(I) complexes [Au<i>L</i> <sub>2</sub>]<sup>+</sup>[Au<i>X</i> <sub>2</sub>]<sup>-</sup> and a by-product (<i>L</i>·<i>L</i>H<sup>+</sup>)[AuBr<sub>2</sub>]<sup>-</sup> (<i>L</i> = substituted pyridine, <i>X</i> = Cl or Br).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","729","737","10.1107/S2056989024005437","","","0.71073","MoKα","","0.029","0.019","","","0.0378","0.0407","","","","","","1.104","","","","has coordinates","293998","2024-08-06","22:06:05",""
"2023168","16.738","0.0006","6.44097","0.00013","8.1923","0.0003","90","","120.415","0.005","90","","761.66","0.06","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Bis(3-methylpyridine)gold(I) dibromidoaurate(I)","","- C12 H14 Au2 Br2 N2 -","- C12 H14 Au2 Br2 N2 -","- C24 H28 Au4 Br4 N4 -","2","0.25","YZ2055","Döring, Cindy; Jones, Peter G.","Crystal structures of four gold(I) complexes [Au<i>L</i> <sub>2</sub>]<sup>+</sup>[Au<i>X</i> <sub>2</sub>]<sup>-</sup> and a by-product (<i>L</i>·<i>L</i>H<sup>+</sup>)[AuBr<sub>2</sub>]<sup>-</sup> (<i>L</i> = substituted pyridine, <i>X</i> = Cl or Br).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","729","737","10.1107/S2056989024005437","","","0.71073","MoKα","","0.0157","0.0128","","","0.0283","0.0293","","","","","","1.12","","","","has coordinates","293998","2024-08-06","22:06:05",""
"2023169","6.7718","0.0003","8.5627","0.0005","15.1064","0.0008","105.356","0.005","90.788","0.004","96.311","0.004","838.71","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(3,5-dimethylpyridine)gold(I) dichloridoaurate(I)","","- C14 H18 Au2 Cl2 N2 -","- C14 H18 Au2 Cl2 N2 -","- C28 H36 Au4 Cl4 N4 -","2","1","YZ2055","Döring, Cindy; Jones, Peter G.","Crystal structures of four gold(I) complexes [Au<i>L</i> <sub>2</sub>]<sup>+</sup>[Au<i>X</i> <sub>2</sub>]<sup>-</sup> and a by-product (<i>L</i>·<i>L</i>H<sup>+</sup>)[AuBr<sub>2</sub>]<sup>-</sup> (<i>L</i> = substituted pyridine, <i>X</i> = Cl or Br).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","729","737","10.1107/S2056989024005437","","","0.71073","MoKα","","0.0323","0.022","","","0.0367","0.0395","","","","","","1.062","","","","has coordinates","293998","2024-08-06","22:06:06",""
"2023170","6.8343","0.0002","8.6676","0.0003","15.4049","0.0006","105.72","0.003","90.741","0.003","98.242","0.003","868.05","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(3,5-dimethylpyridine)gold(I) dibromidoaurate(I)","","- C14 H18 Au2 Br2 N2 -","- C14 H18 Au2 Br2 N2 -","- C28 H36 Au4 Br4 N4 -","2","1","YZ2055","Döring, Cindy; Jones, Peter G.","Crystal structures of four gold(I) complexes [Au<i>L</i> <sub>2</sub>]<sup>+</sup>[Au<i>X</i> <sub>2</sub>]<sup>-</sup> and a by-product (<i>L</i>·<i>L</i>H<sup>+</sup>)[AuBr<sub>2</sub>]<sup>-</sup> (<i>L</i> = substituted pyridine, <i>X</i> = Cl or Br).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","729","737","10.1107/S2056989024005437","","","0.71073","MoKα","","0.0373","0.026","","","0.0503","0.054","","","","","","1.045","","","","has coordinates","293998","2024-08-06","22:06:06",""
"2023171","7.9931","0.0004","8.4672","0.0003","11.3923","0.0005","87.202","0.004","74.635","0.004","81.406","0.004","735.08","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-Bromopyridinium dibromidoaurate(I)–2-bromopyridine (1/1)","","- C10 H9 Au Br4 N2 -","- C10 H9 Au Br4 N2 -","- C20 H18 Au2 Br8 N4 -","2","1","YZ2055","Döring, Cindy; Jones, Peter G.","Crystal structures of four gold(I) complexes [Au<i>L</i> <sub>2</sub>]<sup>+</sup>[Au<i>X</i> <sub>2</sub>]<sup>-</sup> and a by-product (<i>L</i>·<i>L</i>H<sup>+</sup>)[AuBr<sub>2</sub>]<sup>-</sup> (<i>L</i> = substituted pyridine, <i>X</i> = Cl or Br).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","729","737","10.1107/S2056989024005437","","","0.71073","MoKα","","0.0285","0.0228","","","0.046","0.048","","","","","","1.072","","","","has coordinates","293998","2024-08-06","22:06:06",""
"2023172","6.2805","0.0002","7.6549","0.0002","19.3578","0.0008","90","","99.372","0.002","90","","918.23","0.05","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Dimethyl(phenyl)phosphine sulfide","Dimethyl(phenyl)phosphanethione","","- C8 H11 P S -","- C8 H11 P S -","- C32 H44 P4 S4 -","4","1","HB8100","Risken, Robin; Kuzu, Yasin Mehmet; Schmidt, Annika; Strohmann, Carsten","Crystal structure and Hirshfeld surface analysis of dimeth-yl(phen-yl)phosphine sulfide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","755","758","10.1107/S2056989024005668","","","1.54178","CuKα","","0.027","0.0243","","","0.0624","0.0642","","","","","","1.057","","","","has coordinates","294000","2024-08-06","22:06:28",""
"2023173","7.8966","0.0004","8.3394","0.0004","9.0089","0.0004","90","","100.546","0.005","90","","583.24","0.05","200","0.1","200","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Bromoethylammonium bromide","","- C2 H7 Br2 N -","- C2 H7 Br2 N -","- C8 H28 Br8 N4 -","4","1","WM5723","Semenikhin, Oleksandr A.; Shova, Sergiu; Golenya, Irina A.; Naumova, Dina D.; Gural'skiy, Il'ya A.","Crystal structure and Hirshfeld surface analysis of 2-bromo-ethyl-ammonium bromide - a possible side product upon synthesis of hybrid perovskites.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","738","741","10.1107/S2056989024005619","","x-ray","0.71073","MoKα","","0.0305","0.0236","","","0.0525","0.0541","","","","","","1.037","","","","has coordinates","294006","2024-08-06","22:07:45",""
"2023174","7.0695","0.0003","7.4842","0.0003","26.9573","0.001","90","","90","","90","","1426.3","0.1","115","2","115","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,2,3,4-Tetrahydroisoquinolinium D-hydrogen tartrate monohydrate","1,2,3,4-Tetrahydroisoquinolin-2-ium (2<i>S</i>,3<i>S</i>)-3-carboxy-2,3-dihydroxypropanoate monohydrate","","- C13 H19 N O7 -","- C13 H19 N O7 -","- C52 H76 N4 O28 -","4","1","TX2087","Seidel, Rüdiger W; Kolev, Tsonko M.","Crystal structure of 1,2,3,4-tetra-hydro-isoquinolin-2-ium (2<i>S</i>,3<i>S</i>)-3-carb-oxy-2,3-di-hydroxy-propano-ate monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","763","766","10.1107/S2056989024005711","","x-ray","0.71073","MoKα","","0.0473","0.0367","","","0.0734","0.0776","","","","","","1.036","","","","has coordinates","293990","2024-08-06","22:04:34",""
"2023175","9.57455","0.00013","9.2966","0.00017","14.5761","0.0002","90","","100.952","0.0014","90","","1273.8","0.03","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Oxo-2<i>H</i>-chromen-4-yl pentanoate","","- C14 H14 O4 -","- C14 H14 O4 -","- C56 H56 O16 -","4","1","OX2005","Bationo, Valentin; Kambo, Konan René; Sombié, Charles Bavouma; Semdé, Rasmané; Francotte, Pierre; Djandé, Abdoulaye","Synthesis, structure and Hirshfeld surface analysis of 2-oxo-2<i>H</i>-chromen-4-yl penta-noate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","767","770","10.1107/S205698902400584X","","","1.54184","CuKα","","0.0628","0.056","","","0.1665","0.1749","","","","","","1.078","","","","has coordinates","294003","2024-08-06","22:07:17",""
"2023176","11.184","0.002","5.2951","0.0006","20.544","0.003","90","","96.137","0.006","90","","1209.7","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2-(Allylthio)pyridine 1,2,4,5-tetrafluoro-3,6-diiodobenzene","Bis[2-(prop-2-en-1-ylsulfanyl)pyridine] 1,2,4,5-tetrafluoro-3,6-diiodobenzene","","- C11 H9 F2 I N S -","- C22 H18 F4 I2 N2 S2 -","- C44 H36 F8 I4 N4 S4 -","2","0.5","VM2304","Risken, Robin; Schrimpf, Tobias; Klotz, Franziska Dorothea; Strohmann, Carsten","Crystal structure and Hirshfeld surface analysis of a halogen bond between 2-(allyl-thio)-pyridine and 1,2,4,5-tetra-fluoro-3,6-di-iodo-benzene.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","759","762","10.1107/S2056989024005693","","x-ray","0.71073","MoKα","","0.0218","0.0194","","","0.0455","0.0469","","","","","","1.12","","","","has coordinates","294004","2024-08-06","22:07:29",""
"2023177","20.0352","0.0012","9.1536","0.0005","19.2268","0.0012","90","","116.783","0.006","90","","3147.8","0.4","220","2","220.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[bis(4-methylpyridine-κ<i>N</i>)nickel(II)]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]","","- C14 H14 N4 Ni S2 -","- C14 H14 N4 Ni S2 -","- C112 H112 N32 Ni8 S16 -","8","1","HB8101","Näther, Christian; Mangelsen, Sebastian","Synthesis, crystal structure and thermal properties of <i>catena</i>-poly[[bis-(4-methyl-pyridine)-nickel(II)]-di-μ-thio-cyanato], which shows an alternating all-<i>trans</i> and <i>cis-cis</i>-<i>trans</i>-coordination of the NiS<sub>2</sub>N<sup>p</sup> <sub>2</sub>N<sup>t</sup> <sub>2</sub> octa-hedra (p = 4-methyl-pyridine, t = thio-cyanate).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","771","776","10.1107/S2056989024005887","","","0.71073","MoKα","","0.0453","0.0344","","","0.0865","0.0913","","","","","","1.028","","","","has coordinates","294007","2024-08-06","22:07:54",""
"2023178","12.4617","0.0005","7.0766","0.0003","13.65","0.0005","90","","96.085","0.001","90","","1196.96","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Benzyl-4-(methylsulfanyl)-3a,7a-dihydro-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine","","- C13 H12 N4 S -","- C13 H12 N4 S -","- C52 H48 N16 S4 -","4","1","WM5721","Mustaphi, Nour El Hoda; Chlouchi, Amina; El Hafi, Mohamed; Mague, Joel T.; Hökelek, Tuncer; El Monfalouti, Hanae; Haoudi, Amal; Mazzah, Ahmed","Crystal structure determination and analyses of Hirshfeld surface, crystal voids, inter-molecular inter-action energies and energy frameworks of 1-benzyl-4-(methyl-sulfan-yl)-3a,7a-di-hydro-1<i>H</i>-pyrazolo-[3,4-<i>d</i>]pyrimidine.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","783","788","10.1107/S2056989024005954","","","1.54178","CuKα","","0.0498","0.0487","","","0.1338","0.1349","","","","","","1.1","","","","has coordinates","293996","2024-08-06","22:05:41",""
"2023179","9.2092","0.0006","9.0576","0.0006","20.4085","0.0013","90","","101.518","0.002","90","","1668.06","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-[6-Bromo-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one","","- C19 H18 Br F N2 O -","- C19 H18 Br F N2 O -","- C76 H72 Br4 F4 N8 O4 -","4","1","EX2084","Pronina, Anastasia A.; Podrezova, Alexandra G.; Grigoriev, Mikhail S.; Hasanov, Khudayar I.; Sadikhova, Nurlana D.; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of 1-[6-bromo-2-(4-fluoro-phen-yl)-1,2,3,4-tetra-hydroquinolin-4-yl]pyrrolidin-2-one.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","777","782","10.1107/S2056989024005826","","","0.71073","MoKα","","0.0574","0.0345","","","0.0659","0.0723","","","","","","1.019","","","","has coordinates","293997","2024-08-06","22:05:50",""
"2023180","24.1937","0.0003","17.01202","0.00019","28.6422","0.0003","90","","90.5965","0.0011","90","","11788","0.2","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Pentaaqua(cucurbit[6]uril-κ^2^<i>O</i>,<i>O</i>')(nitrato-κ^2^<i>O</i>,<i>O</i>')praseodymium(III) dinitrate 9.56-hydrate","","- C36 H65.11 N27 O35.56 Pr -","- C36 H65.11 N27 O35.555 Pr -","- C288 H520.88 N216 O284.44 Pr8 -","8","2","EX2083","Fedorenko, George V.; Zbruyev, Oleksandr I.; Pavlishchuk, Anna V.; Oleksenko, Lyudmila P.; Shova, Sergiu G.; Chebanov, Valentyn A.; Pavlishchuk, Vitaly V.","The crystal structure of a mononuclear Pr<sup>III</sup> complex with cucurbit[6]uril.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","789","794","10.1107/S2056989024005760","","x-ray","0.71073","MoKα","","0.0509","0.037","","","0.0806","0.0872","","","","","","1.036","","","","has coordinates,has disorder","293999","2024-08-06","22:06:20",""
"2023181","8.7491","0.0002","13.2133","0.0003","21.3793","0.0005","88.914","0.002","82.29","0.002","88.989","0.002","2448.48","0.1","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","Aqua-1κ<i>O</i>-di-μ-chlorido-1:2κ^4^<i>Cl</i>:<i>Cl</i>-dichlorido-1κ<i>Cl</i>,2κ<i>Cl</i>-bis[6-(diethylamino)-4-phenyl-2-(pyridin-2-yl)quinoline]-1κ^2^<i>N</i>^1^,<i>N</i>^2^;2κ^2^<i>N</i>^1^,<i>N</i>^2^-dimanganese(II)","","- C48 H48 Cl4 Mn2 N6 O -","- C48 H48 Cl4 Mn2 N6 O -","- C96 H96 Cl8 Mn4 N12 O2 -","2","1","WM5726","Le Thi Hong, Hai; Hoang Tuan, Duong; Nguyen Duc, Anh; Nguyen, Hien; Van Meervelt, Luc","Synthesis, crystal structure and photophysical properties of a dinuclear Mn<sup>II</sup> complex with 6-(di-ethyl-amino)-4-phenyl-2-(pyridin-2-yl)quinoline.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","795","799","10.1107/S2056989024006042","","x-ray","0.71073","MoKα","","0.0563","0.0435","","","0.1248","0.1388","","","","","","0.862","","","","has coordinates,has disorder","293988","2024-08-06","22:04:14",""
"2023182","5.6651","0.0005","5.7566","0.0006","13.2321","0.0009","90","","101.732","0.004","90","","422.51","0.06","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4-Benzyl-1<i>H</i>-pyrazole","","- C10 H10 N2 -","- C10 H10 N2 -","- C20 H20 N4 -","2","1","VM2305","Hayward, Emily R.; Zeller, Matthias; Mezei, Gellert","Chiral <i>versus</i> achiral crystal structures of 4-benzyl-1<i>H</i>-pyrazole and its 3,5-di-amino derivative.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","800","805","10.1107/S2056989024006182","","","1.54178","CuKα","","0.0369","0.032","","","0.0835","0.0843","","","","","","1.08","","","","has coordinates","293991","2024-08-06","22:04:55",""
"2023183","17.41","0.002","4.7271","0.0007","11.4664","0.0015","90","","98.247","0.006","90","","933.9","0.2","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,5-Diamino-4-benzyl-1<i>H</i>-pyrazole","","- C10 H12 N4 -","- C10 H12 N4 -","- C40 H48 N16 -","4","1","","Hayward, Emily R.; Zeller, Matthias; Mezei, Gellert","Chiral <i>versus</i> achiral crystal structures of 4-benzyl-1<i>H</i>-pyrazole and its 3,5-di-amino derivative.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","800","805","10.1107/S2056989024006182","","","1.54178","CuKα","","0.043","0.0376","","","0.0932","0.0952","","","","","","1.026","","","","has coordinates","293991","2024-08-06","22:04:56",""
"2023184","4.8296","0.0001","6.2703","0.0001","16.9551","0.0002","90","","92.214","0.001","90","","513.069","0.015","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","Chlorothiazide","6-Chloro-1,1-dioxo-2<i>H</i>-1,2,4-benzothiazine-7-sulfonamide","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C14 H12 Cl2 N6 O8 S4 -","2","1","VU2004","Brydson, Rowan K. H.; Kennedy, Alan R.","A monoclinic polymorph of chloro-thia-zide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","806","810","10.1107/S2056989024006078","","","1.54184","CuKα","","0.0289","0.0281","","","0.0774","0.0779","","","","","","1.061","","","","has coordinates","294008","2024-08-06","22:08:02",""
"2023185","10.6402","0.0007","11.773","0.0008","15.1884","0.0009","82.353","0.005","86.526","0.005","69.248","0.005","1763.2","0.2","170","","170","","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ-acetato-κ^2^<i>O</i>:<i>O</i>')bis{[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene-κ<i>C</i>^2^]chromium(II)} tetrahydrofuran disolvate","","- C70 H100 Cr2 N4 O10 -","- C70 H100 Cr2 N4 O10 -","- C70 H100 Cr2 N4 O10 -","1","0.5","JQ2035","Heiser, Christian; Merzweiler, Kurt","Two chromium(II) acetate complexes with N-heterocyclic carbene (NHC) coligands.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","811","815","10.1107/S2056989024005796","","","0.71073","MoKα","","0.0826","0.048","","","0.1214","0.1331","","","","","","0.937","","","","has coordinates,has disorder","294009","2024-08-06","22:08:13",""
"2023186","8.3679","0.0005","11.6127","0.0008","13.8355","0.0009","68.949","0.005","83.891","0.005","71.508","0.005","1189.9","0.14","170","","170","","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ-acetato-κ^2^<i>O</i>:<i>O</i>')bis{[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene-κ<i>C</i>^2^]chromium(II)},","","- C50 H60 Cr2 N4 O8 -","- C50 H60 Cr2 N4 O8 -","- C50 H60 Cr2 N4 O8 -","1","0.5","","Heiser, Christian; Merzweiler, Kurt","Two chromium(II) acetate complexes with N-heterocyclic carbene (NHC) coligands.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","811","815","10.1107/S2056989024005796","","x-ray","0.71073","MoKα","","0.0656","0.0418","","","0.1049","0.1116","","","","","","0.913","","","","has coordinates","294009","2024-08-06","22:08:13",""
"2023187","14.5386","0.0003","9.3464","0.0002","15.4213","0.0004","90","","117.846","0.001","90","","1852.86","0.08","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-[(4-Phenyl-1<i>H</i>-1,2,3-triazol-1-yl)methyl]pyridin-1-ium hexakis(nitrato-κ^2^<i>O</i>,<i>O</i>')thorate(IV)","","- C28 H26 N14 O18 Th -","- C28 H26 N14 O18 Th -","- C56 H52 N28 O36 Th2 -","2","0.5","JW2006","Rangarajan, Shalini; Sheokand, Sonu; Blair, Victoria L.; Deacon, Glen B.; Balakrishna, Maravanji S.","Synthesis, structural studies and Hirshfeld surface analysis of 2-[(4-phenyl-1H-1,2,3-triazol-1-yl)methyl]pyridin-1-ium hexakis(nitrato-κ2 O,O′)thorate(IV)","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024006352","","","0.71073","MoKα","","0.0197","0.0147","","","0.0327","0.0346","","","","","","1.048","","","","has coordinates","293328","2024-07-09","02:06:00",""
"2023188","5.1007","0.0001","6.9544","0.0002","9.047","0.0004","83.198","0.003","79.962","0.003","81.742","0.002","311.289","0.018","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[diiodidocadmium(II)]-bis(μ-3-amino-1<i>H</i>-pyrazole)-κ^2^<i>N</i>^2^:<i>N</i>^3^;κ^2^<i>N</i>^3^:<i>N</i>^2^]","","- C6 H10 Cd I2 N6 -","- C6 H10 Cd I2 N6 -","- C6 H10 Cd I2 N6 -","1","0.5","DJ2078","Kuzevanova, Iryna S.; Vynohradov, Oleksandr S.; Pavlenko, Vadim A.; Malinkin, Sergey O.; Shova, Sergiu; Fritsky, Igor O.; Seredyuk, Maksym","Crystal structure of polymeric bis(3-amino-1H-pyrazole)cadmium diiodide","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024006418","","x-ray","0.71073","MoKα","","0.0708","0.0499","","","0.1162","0.1695","","","","","","1.167","","","","has coordinates","293329","2024-07-09","02:06:13",""
"2023189","6.4439","0.0009","6.4439","0.0009","4.226","0.0009","90","","90","","90","","175.48","0.05","100","","100","","","","","","","","","2","I 4/m","-I 4","87","Bismuth pentafluoride","Bismuth pentafluoride","","- Bi F5 -","- Bi F5 -","- Bi2 F10 -","2","0.125","WM5722","Wassermann, Tobias Burghardt; Kraus, Florian","Rerefinement of the crystal structure of BiF5","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024005759","","","0.71073","MoKα","","0.0163","0.0163","","","0.0419","0.0419","","","","","","1.12","","","","has coordinates","293348","2024-07-10","01:50:33",""
"2023190","8.00032","0.0001","15.14469","0.00018","18.9141","0.0002","90","","100.605","0.0012","90","","2252.53","0.05","100","","100","","","","","","","","","5","P 1 c 1","P -2yc","7","","4-(Dimethylamino)pyridin-1-ium 8-hydroxyquinoline-5-sulfonate; <i>N</i>,<i>N</i>-dimethylpyridin-4-amine","","- C23 H27 N5 O4 S -","- C23 H27 N5 O4 S -","- C92 H108 N20 O16 S4 -","4","2","OX2006","Isobe, Mami; Kashiwagi, Yukiyasu; Kubono, Koji","Crystal structure of the 1:1 co-crystal 4-(dimethylamino)pyridin-1-ium 8-hydroxyquinoline-5-sulfonate–N,N-dimethylpyridin-4-amine","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S205698902400642X","","x-ray","1.54184","CuKα","","0.0336","0.0325","","","0.0838","0.0848","","","","","","1.038","","","","has coordinates","293349","2024-07-10","01:50:56",""
"2023191","7.11266","0.00011","13.765","0.00018","24.385","0.0003","90","","90","","90","","2387.43","0.06","100","2","99.9","0.8","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2',3',4',6'-Tetra-<i>O</i>-acetyl-β-<i>D</i>-glucopyranosyl <i>N</i>'-cyano-<i>N</i>-phenylcarbamimidothioate","","- C22 H25 N3 O9 S -","- C22 H25 N3 O9 S -","- C88 H100 N12 O36 S4 -","4","1","YZ2056","Abu-Zaied, Mamdouh A.; Nawwar, Galal A.; Elgemeie, Galal H.; Jones, Peter G.","Crystal structures of four thioglycosides involving carbamimidothioate groups","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024006455","","x-ray","0.71073","MoKα","","0.0329","0.0286","","","0.0763","0.0787","","","","","","1.056","","","","has coordinates,has disorder","293350","2024-07-10","01:52:09",""
"2023192","10.10503","0.00014","14.5978","0.0002","16.4256","0.0002","90","","90","","90","","2422.96","0.06","100","2","99.9","0.8","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2',3',4',6'-Tetra-<i>O</i>-acetyl-β-<i>D</i>-galactopyranosyl <i>N</i>'-cyano-<i>N-</i>phenylcarbamimidothioate","","- C22 H25 N3 O9 S -","- C22 H25 N3 O9 S -","- C88 H100 N12 O36 S4 -","4","1","YZ2056","Abu-Zaied, Mamdouh A.; Nawwar, Galal A.; Elgemeie, Galal H.; Jones, Peter G.","Crystal structures of four thioglycosides involving carbamimidothioate groups","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024006455","","x-ray","0.71073","MoKα","","0.0373","0.031","","","0.0808","0.0843","","","","","","1.056","","","","has coordinates","293350","2024-07-10","01:52:14",""
"2023193","7.34295","0.00007","13.92258","0.00013","21.07464","0.00018","90","","90","","90","","2154.52","0.03","100","2","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2',3',4',6'-Tetra-<i>O</i>-acetyl-β-<i>D</i>-galactopyranosyl <i>N</i>'-cyano-<i>N</i>-methylcarbamimidothioate","","- C17 H23 N3 O9 S -","- C17 H23 N3 O9 S -","- C68 H92 N12 O36 S4 -","4","1","YZ2056","Abu-Zaied, Mamdouh A.; Nawwar, Galal A.; Elgemeie, Galal H.; Jones, Peter G.","Crystal structures of four thioglycosides involving carbamimidothioate groups","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024006455","","x-ray","1.54184","CuKα","","0.0245","0.0243","","","0.0653","0.0654","","","","","","1.047","","","","has coordinates","293350","2024-07-10","01:52:16",""
"2023194","7.42044","0.00017","14.9634","0.0004","22.758","0.0005","90","","90","","90","","2526.93","0.1","100","2","99.9","0.9","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2',3',4',6'-Tetra-<i>O</i>-acetyl-β-<i>D</i>-galactopyranosyl <i>N</i>'-cyano-<i>N</i>-<i>p</i>-tolylcarbamimidothioate","","- C23 H27 N3 O9 S -","- C23 H27 N3 O9 S -","- C92 H108 N12 O36 S4 -","4","1","YZ2056","Abu-Zaied, Mamdouh A.; Nawwar, Galal A.; Elgemeie, Galal H.; Jones, Peter G.","Crystal structures of four thioglycosides involving carbamimidothioate groups","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024006455","","x-ray","0.71073","MoKα","","0.0426","0.0359","","","0.0911","0.0944","","","","","","1.041","","","","has coordinates","293350","2024-07-10","01:52:17",""
"2023195","7.41967","0.00005","14.96519","0.00012","22.75622","0.00016","90","","90","","90","","2526.78","0.03","100","2","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2',3',4',6'-Tetra-<i>O</i>-acetyl-β-<i>D</i>-galactopyranosyl <i>N</i>'-cyano-<i>N</i>-<i>p</i>-tolylcarbamimidothioate","","- C23 H27 N3 O9 S -","- C23 H27 N3 O9 S -","- C92 H108 N12 O36 S4 -","4","1","YZ2056","Abu-Zaied, Mamdouh A.; Nawwar, Galal A.; Elgemeie, Galal H.; Jones, Peter G.","Crystal structures of four thioglycosides involving carbamimidothioate groups","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024006455","","x-ray","1.54184","CuKα","","0.0228","0.0226","","","0.0592","0.0593","","","","","","1.038","","","","has coordinates","293350","2024-07-10","01:52:19",""
"2023196","13.6698","0.0017","19.781","0.002","8.1056","0.001","90","","99.388","0.008","90","","2162.4","0.4","305","2","305","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(3-Methoxyphenyl)-<i>N</i>-{[1-(phenylsulfonyl)-1<i>H</i>-indol-2-yl]methyl}acetamide","","- C24 H22 N2 O4 S -","- C24 H22 N2 O4 S -","- C96 H88 N8 O16 S4 -","4","1","NU2006","Madhan, S.; NizamMohideen, M.; Pavunkumar, Vinayagam; MohanaKrishnan, Arasambattu K.","The crystal structure determination and Hirshfeld surface analysis of N-acetyl-N-3-methoxyphenyl and N-phenylsulfonyl-N-(2,5-dimethoxyphenyl) derivatives of [1-(phenylsulfonyl)-1H-indol-2-yl]methanamine","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024006649","","","1.54178","CuKα","","0.0994","0.0577","","","0.1376","0.1785","","","","","","1.066","","","","has coordinates","293351","2024-07-10","01:52:52",""
"2023197","13.463","0.009","17.193","0.012","11.532","0.007","90","","94.844","0.019","90","","2660","3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","<i>N</i>-(2,5-Dimethoxyphenyl)-<i>N</i>-{[1-(phenylsulfonyl)-1<i>H</i>-indol-2-yl]methyl}benzenesulfonamide","","- C29 H26 N2 O6 S2 -","- C29 H26 N2 O6 S2 -","- C116 H104 N8 O24 S8 -","4","1","NU2006","Madhan, S.; NizamMohideen, M.; Pavunkumar, Vinayagam; MohanaKrishnan, Arasambattu K.","The crystal structure determination and Hirshfeld surface analysis of N-acetyl-N-3-methoxyphenyl and N-phenylsulfonyl-N-(2,5-dimethoxyphenyl) derivatives of [1-(phenylsulfonyl)-1H-indol-2-yl]methanamine","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024006649","","","0.71073","MoKα","","0.0676","0.0569","","","0.1454","0.1544","","","","","","1.116","","","","has coordinates","293351","2024-07-10","01:52:53",""
"2023198","10.9966","0.0006","13.7147","0.001","17.9345","0.0009","90","","90","","90","","2704.8","0.3","200","0.1","200","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[methanoldioxidouranium(VI)]-μ-2-[5-(2-oxidophenyl)-1<i>H</i>-1,2,4-triazol-3-yl]acetato-κ^2^<i>O</i>:<i>O</i>']","","- C11 H11 N3 O6 U -","- C11 H11 N3 O6 U -","- C88 H88 N24 O48 U8 -","8","1","EJ2005","Vashchenko, Oleksandr V.; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Stoica, Alexandru-Constantin; Vassilyeva, Olga Yu.; Lampeka, Rostyslav D.","Crystal structure of catena-poly[[methanoldioxidouranium(VI)]-μ-2-[5-(2-oxidophenyl)-1H-1,2,4-triazol-3-yl]acetato-κ2 O:O′]","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024006637","","x-ray","0.71073","MoKα","","0.0481","0.0331","","","0.0522","0.0561","","","","","","1.047","","","","has coordinates","293407","2024-07-13","02:00:11",""
"2023199","3.8875","0.0001","9.3118","0.0002","14.7772","0.0003","104.228","0.002","93.211","0.002","98.219","0.002","510.87","0.02","100","0.3","100","0.3","","","","","","","","4","P -1","-P 1","2","","2-Methyl-1,4-phenylene bis(3,5-dibromobenzoate)","","- C21 H12 Br4 O4 -","- C21 H12 Br4 O4 -","- C21 H12 Br4 O4 -","1","0.5","WM5727","Weeks, Nathan J.; Lauer, Moira K.; Balaich, Gary J.; Iacono, Scott T.","Crystal and molecular structure of 2-methyl-1,4-phenylene bis(3,5-dibromobenzoate)","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024006820","","x-ray","1.54184","CuKα","","0.0194","0.0189","","","0.0479","0.0482","","","","","","1.111","","","","has coordinates,has disorder","293433","2024-07-17","01:50:23",""
"2023200","12.4983","0.0002","7.17223","0.00012","60.3774","0.0012","90","","94.1762","0.0017","90","","5397.9","0.17","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","12-α-Fluoro-3β-hydroxyolean-28,13β-olide methanol hemisolvate","","- C61 H98 F2 O7 -","- C61 H98 F2 O7 -","- C244 H392 F8 O28 -","4","2","YY2009","Eadsforth, Megan A.; Kong, Linghan; Whitehead, George; Vitórica-Yrezábal, Iñigo J.; O'Keefe, Raymond T.; Bryce, Richard A.; Whitehead, Roger C.","Structural determination of oleanane-28,13β-olide and taraxerane-28,14β-olide fluorolactonization products from the reaction of oleanolic acid with SelectfluorTM","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024006480","","","1.54184","CuKα","","0.1039","0.0975","","","0.2713","0.2766","","","","","","1.045","","","","has coordinates","293435","2024-07-17","01:51:07",""
"2023201","6.6077","0.0002","13.873","0.0004","59.326","0.002","90","","90","","90","","5438.3","0.3","239.99","0.1","239.99","0.1","","","","","","","","4","C 2 2 21","C 2c 2","20","","12-α-Fluoro-3β-hydroxytaraxer-28,14β-olide methanol hemisolvate","","- C61 H98 F2 O7 -","- C61 H98 F2 O7 -","- C244 H392 F8 O28 -","4","0.5","YY2009","Eadsforth, Megan A.; Kong, Linghan; Whitehead, George; Vitórica-Yrezábal, Iñigo J.; O'Keefe, Raymond T.; Bryce, Richard A.; Whitehead, Roger C.","Structural determination of oleanane-28,13β-olide and taraxerane-28,14β-olide fluorolactonization products from the reaction of oleanolic acid with SelectfluorTM","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024006480","","x-ray","1.54184","CuKα","","0.0746","0.0726","","","0.2015","0.2034","","","","","","1.094","","","","has coordinates,has disorder","293435","2024-07-17","01:51:08",""
"2023202","18.396","0.003","20.248","0.004","8.9338","0.0016","90","","90","","90","","3327.7","1","99.98","","99.98","","","","","","","","","3","P 21 21 2","P 2 2ab","18","Staudtienic acid","(1<i>S</i>,4a<i>S</i>,10a<i>R</i>)-1,4a-Dimethyl-7-(prop-2-en-1-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid","","- C20 H26 O2 -","- C20 H26 O2 -","- C160 H208 O16 -","8","2","DJ2072","Tonga Lembe, Jordan; Mphahlele, Precious Mokgadi; Kamdem Kengne, Michael Hermann; Jiyane, Pangaman; Djuidje Fotsing, Marthe Carine; Ardene, Charmaine; Mmutlane, Edwin Mpho; Ndinteh, Derek Tantoh","Crystal structure of Staudtienic acid, a diterpenoid from Staudtia kamerunensis Warb. (Myristicaceae)","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024005000","","","0.71073","MoKα","","0.1048","0.0552","","","0.1137","0.1338","","","","","","1.017","","","","has coordinates,has disorder","293487","2024-07-20","01:58:14",""
"2023203","3.7283","0.0004","10.5275","0.0012","16.9073","0.0019","90","","94.604","0.002","90","","661.46","0.13","100.15","","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Amino-3,5-difluorobenzonitrile","","- C7 H4 F2 N2 -","- C7 H4 F2 N2 -","- C28 H16 F8 N8 -","4","1","JQ2034","Novikov, Egor M.; Guillen Campos, Jesus; Read de Alaniz, Javier; Fonari, Marina S.; Timofeeva, Tatiana V.","Synthesis, molecular and crystal structures of 4-amino-3,5-difluorobenzonitrile, ethyl 4-amino-3,5-difluorobenzoate, and diethyl 4,4′-(diazene-1,2-diyl)bis(3,5-difluorobenzoate)","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024006819","","x-ray","0.71073","MoKα","","0.0578","0.0467","","","0.1233","0.1303","","","","","","1.086","","","","has coordinates","293488","2024-07-20","01:58:37",""
"2023204","14.877","0.003","8.9995","0.0018","13.635","0.003","90","","90","","90","","1825.5","0.7","100.15","","100.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Ethyl 4-amino-3,5-difluorobenzoate","","- C9 H9 F2 N O2 -","- C9 H9 F2 N O2 -","- C72 H72 F16 N8 O16 -","8","1","JQ2034","Novikov, Egor M.; Guillen Campos, Jesus; Read de Alaniz, Javier; Fonari, Marina S.; Timofeeva, Tatiana V.","Synthesis, molecular and crystal structures of 4-amino-3,5-difluorobenzonitrile, ethyl 4-amino-3,5-difluorobenzoate, and diethyl 4,4′-(diazene-1,2-diyl)bis(3,5-difluorobenzoate)","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024006819","","x-ray","0.71073","MoKα","","0.0868","0.0599","","","0.1176","0.1307","","","","","","1.209","","","","has coordinates","293488","2024-07-20","01:58:38",""
"2023205","4.6106","0.0017","8.839","0.003","10.969","0.004","99.33","0.008","99.431","0.008","96.442","0.007","430.7","0.3","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","Diethyl 4,4'-(diazene-1,2-diyl)bis(3,5-difluorobenzoate)","","- C18 H14 F4 N2 O4 -","- C18 H14 F4 N2 O4 -","- C18 H14 F4 N2 O4 -","1","0.5","JQ2034","Novikov, Egor M.; Guillen Campos, Jesus; Read de Alaniz, Javier; Fonari, Marina S.; Timofeeva, Tatiana V.","Synthesis, molecular and crystal structures of 4-amino-3,5-difluorobenzonitrile, ethyl 4-amino-3,5-difluorobenzoate, and diethyl 4,4′-(diazene-1,2-diyl)bis(3,5-difluorobenzoate)","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024006819","","x-ray","0.71073","MoKα","","0.064","0.0466","","","0.1381","0.1499","","","","","","1.009","","","","has coordinates","293488","2024-07-20","01:58:38",""
"2023206","7.0928","0.0005","14.3933","0.001","10.0419","0.0007","90","","90","","90","","1025.17","0.12","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-Bromo-5,7-dimethoxy-2,3-dihydro-1<i>H</i>-inden-1-one","","- C11 H11 Br O3 -","- C11 H11 Br O3 -","- C44 H44 Br4 O12 -","4","1","JY2050","Galla, Sri Hari; Sridhar, Jayalakshmi; Mague, Joel T.; Zhang, Xiaodong; White, Kira D.; Zhang, Qiang; Donahue, James P.","Crystal structure of 4-bromo-5,7-dimethoxy-2,3-dihydro-1H-inden-1-one","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024006522","","","0.71073","MoKα","","0.0282","0.0252","","","0.0551","0.0562","","","","","","1.08","","","","has coordinates","293489","2024-07-20","01:58:54",""
"2023207","11.6462","0.0003","13.9943","0.0004","16.9225","0.0005","90","","90","","90","","2758.04","0.13","150","2","150","2","","","","","","","","7","C m c m","-C 2c 2","63","","Bis[dithiobis(formamidinium)] hexabromidoruthenium dibromide trihydrate","","- C4 H22 Br8 N8 O3 Ru S4 -","- C4 H22 Br8 N8 O3 Ru S4 -","- C16 H88 Br32 N32 O12 Ru4 S16 -","4","0.25","NY2005","Rudnitskaya, Olga V.; Komarovskikh, Milena R.; Pekarskaya, Maria G.; Pshenichnyy, Daniil S.; Akkurt, Mehmet; Khalilov, Ali N.; Bhattarai, Ajaya; Mamedov, Ibrahim G.","Synthesis, molecular and crystal structure of [(NH2)2CSSC(NH2)2]2[RuBr6]Br2·3H2O","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024006832","","","0.71073","MoKα","","0.0266","0.0227","","","0.0552","0.0567","","","","","","1.069","","","","has coordinates","293522","2024-07-24","01:57:00",""
"2023208","12.1857","0.0007","8.0515","0.0005","12.6153","0.0008","90","","105.49","0.002","90","","1192.77","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis[(η^5^-<i>tert</i>-butylcyclopentadienyl)tricarbonylmolybdenum(I)](<i>Mo</i>—<i>Mo</i>)","","- C24 H26 Mo2 O6 -","- C24 H26 Mo2 O6 -","- C48 H52 Mo4 O12 -","2","0.5","WM5725","Ibrahimova, Nigar Z.; Tagiyev, Dilgam B.; Lyatifov, Iltifat U.; Akkurt, Mehmet; Hasanov, Khudayar I.; Bhattarai, Ajaya","Crystal structure of bis[(η5-tert-butylcyclopentadienyl)tricarbonylmolybdenum(I)](Mo—Mo)","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024006959","","","0.71073","MoKα","","0.0362","0.0252","","","0.0495","0.0536","","","","","","1.027","","","","has coordinates","293523","2024-07-24","01:57:16",""
"2023209","8.711","0.0002","19.5857","0.0004","18.9372","0.0004","90","","90.857","0.001","90","","3230.53","0.12","296","","296","","","","","","","","","3","P 1 21 1","P 2yb","4","","(3<i>R</i>)-3-Cyclopentyl-3-[4-(7<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidin-4-yl)-1<i>H</i>-pyrazol-1-yl]propanenitrile","","- C17 H18 N6 -","- C17 H18 N6 -","- C136 H144 N48 -","8","4","OJ3020","Peng, Ziyu; Ye, Long","Comparison of the crystal structures of the JAK1/2 inhibitor ruxolitinib and its hydrate and phosphate","Acta Crystallographica Section C Structural Chemistry","2024","80","8","","","10.1107/S2053229624006740","","","1.54178","CuKα","","0.0473","0.0442","","","0.1208","0.1245","","","","","","1.03","","","","has coordinates,has Fobs","293536","2024-07-25","01:55:59",""
"2023210","9.9563","0.0007","15.1596","0.001","23.6491","0.0016","90","","90","","90","","3569.4","0.4","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3<i>R</i>)-3-Cyclopentyl-3-[4-(7<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidin-4-yl)-1<i>H</i>-pyrazol-1-yl]propanenitrile dihydrate","","- C17 H22 N6 O2 -","- C17 H22 N6 O2 -","- C136 H176 N48 O16 -","8","2","OJ3020","Peng, Ziyu; Ye, Long","Comparison of the crystal structures of the JAK1/2 inhibitor ruxolitinib and its hydrate and phosphate","Acta Crystallographica Section C Structural Chemistry","2024","80","8","","","10.1107/S2053229624006740","","","1.54178","CuKα","","0.0487","0.0477","","","0.1311","0.1323","","","","","","1.047","","","","has coordinates,has Fobs","293536","2024-07-25","01:56:00",""
"2023211","7.1398","0.0004","12.0894","0.0006","43.818","0.002","90","","90","","90","","3782.2","0.3","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-{1-[(1<i>R</i>)-2-Cyano-1-cyclopentylethyl]-1<i>H</i>-pyrazol-4-yl}-7<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidin-3-ium dihydrogen phosphate","","- C17 H21 N6 O4 P -","- C17 H21 N6 O4 P -","- C136 H168 N48 O32 P8 -","8","2","OJ3020","Peng, Ziyu; Ye, Long","Comparison of the crystal structures of the JAK1/2 inhibitor ruxolitinib and its hydrate and phosphate","Acta Crystallographica Section C Structural Chemistry","2024","80","8","","","10.1107/S2053229624006740","","","1.34139","GaKα","","0.0541","0.0418","","","0.1074","0.113","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","293536","2024-07-25","01:56:00",""
"2023212","12.5708","0.0003","14.8757","0.0005","23.1383","0.0007","84.392","0.003","82.291","0.002","85.686","0.002","4258.7","0.2","110.5","0.8","110.5","0.8","","","","","","","","7","P -1","-P 1","2","","Ben Tickner BJT004","","- C141.78 H168.72 Cl8 Cu20 Ir6 N18 O3.18 -","- C141.18 H168.72 Cl8 Cu20 Ir6 N18 O3.18 -","- C141.18 H168.72 Cl8 Cu20 Ir6 N18 O3.18 -","1","0.5","WM5728","Tickner, Ben. J.; Gammons, Richard; Whitwood, Adrian C.; Duckett, Simon B.","Pyrazine-bridged polymetallic copper–iridium clusters","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024007151","","x-ray","1.54184","CuKα","","0.0599","0.0537","","","0.1306","0.1336","","","","","","1.084","","","","has coordinates,has disorder","293562","2024-07-27","01:52:38",""
"2023213","17.3468","0.0003","10.40583","0.00019","9.87841","0.00016","90","","99.4243","0.0016","90","","1759.06","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[1-(4-Bromophenyl)-1<i>H</i>-1,2,3-triazol-4-yl]methyl 2-(4-nitrophenoxy)acetate","","- C17 H13 Br N4 O5 -","- C17 H13 Br N4 O5 -","- C68 H52 Br4 N16 O20 -","4","1","ZV2035","Hakimov, Muminjon; Khozhimatova, Shakhnoza; Ortikov, Ilkhomjon; Abdugafurov, Ibragimdjan; Tojiboev, Akmaljon","Synthesis, crystal structure and Hirshfeld surface analysis of [1-(4-bromophenyl)-1H-1,2,3-triazol-4-yl]methyl 2-(4-nitrophenoxy)acetate","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","910","912","10.1107/S2056989024007436","","","1.54184","CuKα","","0.0439","0.0352","","","0.0878","0.0939","","","","","","1.061","","","","has coordinates","293618","2024-08-01","02:14:57",""
"2023214","7.6852","0.0007","14.3992","0.0012","8.7963","0.0007","90","","95.86","0.008","90","","968.32","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Trichlorido(2-methylpyridine-κ<i>N</i>)gold(III)","","- C6 H7 Au Cl3 N -","- C6 H7 Au Cl3 N -","- C24 H28 Au4 Cl12 N4 -","4","1","WM5729","Döring, Cindy; Jones, Peter G.","Crystal structures of seven gold(III) complexes of the form LAuX 3 (L = substituted pyridine, X = Cl or Br)","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","894","909","10.1107/S2056989024007266","","","0.71073","MoKα","","0.0314","0.0238","","","0.0482","0.0491","","","","","","0.927","","","","has coordinates","293619","2024-08-01","02:19:31",""
"2023215","7.8077","0.0008","16.4881","0.0015","7.6929","0.0009","90","","103.92","0.012","90","","961.26","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Trichlorido(2-methylpyridine-κ<i>N</i>)gold(III)","","- C6 H7 Au Cl3 N -","- C6 H7 Au Cl3 N -","- C24 H28 Au4 Cl12 N4 -","4","1","WM5729","Döring, Cindy; Jones, Peter G.","Crystal structures of seven gold(III) complexes of the form LAuX 3 (L = substituted pyridine, X = Cl or Br)","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","894","909","10.1107/S2056989024007266","","","0.71073","MoKα","","0.0349","0.0251","","","0.0485","0.0498","","","","","","0.999","","","","has coordinates","293619","2024-08-01","02:19:32",""
"2023216","8.0776","0.0004","14.723","0.0007","8.9682","0.0004","90","","96.617","0.005","90","","1059.45","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tribromido(2-methylpyridine-κ<i>N</i>)gold(III)","","- C6 H7 Au Br3 N -","- C6 H7 Au Br3 N -","- C24 H28 Au4 Br12 N4 -","4","1","WM5729","Döring, Cindy; Jones, Peter G.","Crystal structures of seven gold(III) complexes of the form LAuX 3 (L = substituted pyridine, X = Cl or Br)","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","894","909","10.1107/S2056989024007266","","","0.71073","MoKα","","0.0447","0.0277","","","0.0379","0.0401","","","","","","0.797","","","","has coordinates","293619","2024-08-01","02:19:32",""
"2023217","18.6763","0.0006","6.78409","0.00014","18.4807","0.0005","90","","118.887","0.004","90","","2050.19","0.12","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tribromido(3-methylpyridine-κ<i>N</i>)gold(III)","","- C6 H7 Au Br3 N -","- C6 H7 Au Br3 N -","- C48 H56 Au8 Br24 N8 -","8","1","WM5729","Döring, Cindy; Jones, Peter G.","Crystal structures of seven gold(III) complexes of the form LAuX 3 (L = substituted pyridine, X = Cl or Br)","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","894","909","10.1107/S2056989024007266","","","0.71073","MoKα","","0.0386","0.0263","","","0.0498","0.0535","","","","","","1.044","","","","has coordinates","293619","2024-08-01","02:19:33",""
"2023218","8.07477","0.00017","17.2853","0.0004","16.3527","0.0004","90","","90.818","0.002","90","","2282.19","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tribromido(2,4-dimethylpyridine-κ<i>N</i>)gold(III)","","- C7 H9 Au Br3 N -","- C7 H9 Au Br3 N -","- C56 H72 Au8 Br24 N8 -","8","2","WM5729","Döring, Cindy; Jones, Peter G.","Crystal structures of seven gold(III) complexes of the form LAuX 3 (L = substituted pyridine, X = Cl or Br)","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","894","909","10.1107/S2056989024007266","","","0.71073","MoKα","","0.0385","0.0262","","","0.0451","0.0482","","","","","","1.046","","","","has coordinates","293619","2024-08-01","02:19:33",""
"2023219","7.624","0.0003","15.936","0.0006","9.2538","0.0004","90","","112.333","0.005","90","","1039.97","0.08","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Trichlorido(3,5-dimethylpyridine-κ<i>N</i>)gold(III)","","- C7 H9 Au Cl3 N -","- C7 H9 Au Cl3 N -","- C28 H36 Au4 Cl12 N4 -","4","0.5","WM5729","Döring, Cindy; Jones, Peter G.","Crystal structures of seven gold(III) complexes of the form LAuX 3 (L = substituted pyridine, X = Cl or Br)","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","894","909","10.1107/S2056989024007266","","","0.71073","MoKα","","0.0161","0.0144","","","0.0317","0.0322","","","","","","1.065","","","","has coordinates","293619","2024-08-01","02:19:33",""
"2023220","8.2506","0.0003","8.4726","0.0004","9.421","0.0004","113.828","0.004","103.543","0.004","98.368","0.004","563.93","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Tribromido(3,5-dimethylpyridine-κ<i>N</i>)gold(III)","","- C7 H9 Au Br3 N -","- C7 H9 Au Br3 N -","- C14 H18 Au2 Br6 N2 -","2","1","WM5729","Döring, Cindy; Jones, Peter G.","Crystal structures of seven gold(III) complexes of the form LAuX 3 (L = substituted pyridine, X = Cl or Br)","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","894","909","10.1107/S2056989024007266","","","0.71073","MoKα","","0.0336","0.0271","","","0.0563","0.0594","","","","","","1.063","","","","has coordinates","293619","2024-08-01","02:19:33",""
"2023221","11.0184","0.0003","10.66","0.0002","9.776","0.0003","90","","113.053","0.003","90","","1056.56","0.05","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Trichlorido(2,6-dimethylpyridine-κ<i>N</i>)gold(III)","","- C7 H9 Au Cl3 N -","- C7 H9 Au Cl3 N -","- C28 H36 Au4 Cl12 N4 -","4","0.5","WM5729","Döring, Cindy; Jones, Peter G.","Crystal structures of seven gold(III) complexes of the form LAuX 3 (L = substituted pyridine, X = Cl or Br)","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","894","909","10.1107/S2056989024007266","","","0.71073","MoKα","","0.0132","0.0125","","","0.0258","0.026","","","","","","1.119","","","","has coordinates","293619","2024-08-01","02:19:34",""
"2023222","9.1741","0.0009","11.1922","0.0009","11.4596","0.0007","83.99","0.006","80.777","0.006","69.147","0.008","1083.91","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Tribromido(2-methylpyridine-κ<i>N</i>)gold(III)–tribromido(3,5-dimethylpyridine-κ<i>N</i>)gold(III)","","- C13 H16 Au2 Br6 N2 -","- C13 H16 Au2 Br6 N2 -","- C26 H32 Au4 Br12 N4 -","2","1","WM5729","Döring, Cindy; Jones, Peter G.","Crystal structures of seven gold(III) complexes of the form LAuX 3 (L = substituted pyridine, X = Cl or Br)","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","894","909","10.1107/S2056989024007266","","","0.71073","MoKα","","0.064","0.0354","","","0.0524","0.0552","","","","","","0.82","","","","has coordinates","293619","2024-08-01","02:19:34",""
"2023223","8.8398","0.0006","9.9196","0.0008","12.8239","0.001","97.633","0.006","93.948","0.006","107.385","0.007","1056.59","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H38.6 Cl2 Cu N8 O11.3 -","- C36 H36 Cl2 Cu N8 O11.3 -","- C36 H36 Cl2 Cu N8 O11.3 -","1","0.5","AW5090","Loukopoulos, Edward; Papatriantafyllopoulou, Constantina; Moushi, Eleni; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism in a series of copper(II) complexes with the 5-phenylimidazole/perchlorate system as ligands.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 4","347","359","10.1107/S2052520624005948","","","0.71073","MoKα","","0.0619","0.0565","","","0.1615","0.1672","","","","","","1.11","","","","has coordinates,has Fobs","294673","2024-09-07","05:28:44",""
"2023224","9.3557","0.0007","9.838","0.001","13.0238","0.001","75.71","0.008","89.649","0.006","69.657","0.008","1084.99","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H40 Cl2 Cu N8 O10 -","- C38 H40 Cl2 Cu N8 O10 -","- C38 H40 Cl2 Cu N8 O10 -","1","0.5","","Loukopoulos, Edward; Papatriantafyllopoulou, Constantina; Moushi, Eleni; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism in a series of copper(II) complexes with the 5-phenylimidazole/perchlorate system as ligands.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 4","347","359","10.1107/S2052520624005948","","","0.71073","MoKα","","0.0688","0.0651","","","0.1685","0.1722","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","294673","2024-09-07","05:28:44",""
"2023225","9.3377","0.0003","9.7888","0.0004","12.987","0.0006","103.114","0.005","90.344","0.005","109.408","0.004","1086.13","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H44 Cl2 Cu N8 O10 -","- C40 H44 Cl2 Cu N8 O10 -","- C40 H44 Cl2 Cu N8 O10 -","1","0.5","","Loukopoulos, Edward; Papatriantafyllopoulou, Constantina; Moushi, Eleni; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism in a series of copper(II) complexes with the 5-phenylimidazole/perchlorate system as ligands.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 4","347","359","10.1107/S2052520624005948","","","0.71073","MoKα","","0.0725","0.0661","","","0.1697","0.1758","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","294673","2024-09-07","05:28:44",""
"2023226","9.1329","0.0006","10.0787","0.0007","13.0825","0.0008","103.496","0.006","94.562","0.005","105.229","0.006","1117.04","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H48 Cl2 Cu N8 O10 -","- C42 H48 Cl2 Cu N8 O10 -","- C42 H48 Cl2 Cu N8 O10 -","1","0.5","","Loukopoulos, Edward; Papatriantafyllopoulou, Constantina; Moushi, Eleni; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism in a series of copper(II) complexes with the 5-phenylimidazole/perchlorate system as ligands.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 4","347","359","10.1107/S2052520624005948","","","0.71073","MoKα","","0.047","0.0362","","","0.0861","0.094","","","","","","1.074","","","","has coordinates,has Fobs","294673","2024-09-07","05:28:44",""
"2023227","9.4157","0.0005","9.9855","0.0006","13.6726","0.0007","106.181","0.005","96.455","0.004","106.527","0.005","1157.64","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H52 Cl2 Cu N8 O10 -","- C44 H52 Cl2 Cu N8 O10 -","- C44 H52 Cl2 Cu N8 O10 -","1","0.5","","Loukopoulos, Edward; Papatriantafyllopoulou, Constantina; Moushi, Eleni; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism in a series of copper(II) complexes with the 5-phenylimidazole/perchlorate system as ligands.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 4","347","359","10.1107/S2052520624005948","","","1.54184","CuKα","","0.068","0.0587","","","0.1498","0.1564","","","","","","1.064","","","","has coordinates,has Fobs","294673","2024-09-07","05:28:44",""
"2023228","9.1544","0.0004","9.8343","0.0005","14.2557","0.0008","91.493","0.004","107.948","0.005","109.075","0.005","1142.38","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H46 Cl2 Cu N10 O10 -","- C42 H46 Cl2 Cu N10 O10 -","- C42 H46 Cl2 Cu N10 O10 -","1","0.5","","Loukopoulos, Edward; Papatriantafyllopoulou, Constantina; Moushi, Eleni; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism in a series of copper(II) complexes with the 5-phenylimidazole/perchlorate system as ligands.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 4","347","359","10.1107/S2052520624005948","","","0.71073","MoKα","","0.0434","0.0369","","","0.0895","0.0947","","","","","","1.056","","","","has coordinates,has Fobs","294673","2024-09-07","05:28:44",""
"2023229","9.4814","0.0004","9.7136","0.0005","13.3146","0.0009","69.117","0.006","80.66","0.005","68.833","0.005","1067.61","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H44 Cl2 Cu N8 O10 -","- C42 H44 Cl2 Cu N8 O10 -","- C42 H44 Cl2 Cu N8 O10 -","1","0.5","","Loukopoulos, Edward; Papatriantafyllopoulou, Constantina; Moushi, Eleni; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism in a series of copper(II) complexes with the 5-phenylimidazole/perchlorate system as ligands.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 4","347","359","10.1107/S2052520624005948","","","0.71073","MoKα","","0.0727","0.0517","","","0.1189","0.1348","","","","","","1.062","","","","has coordinates,has Fobs","294673","2024-09-07","05:28:44",""
"2023230","9.0943","0.0005","25.0287","0.0017","10.0253","0.0005","90","","107.509","0.006","90","","2176.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H48 Cl2 Cu N8 O10 -","- C44 H48 Cl2 Cu N8 O10 -","- C88 H96 Cl4 Cu2 N16 O20 -","2","0.5","","Loukopoulos, Edward; Papatriantafyllopoulou, Constantina; Moushi, Eleni; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism in a series of copper(II) complexes with the 5-phenylimidazole/perchlorate system as ligands.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 4","347","359","10.1107/S2052520624005948","","","0.71073","MoKα","","0.0981","0.0621","","","0.1411","0.1568","","","","","","1.175","","","","has coordinates,has Fobs","294673","2024-09-07","05:28:44",""
"2023231","9.3679","0.0009","10.2347","0.0008","12.5311","0.0015","79.661","0.008","84.578","0.009","73.249","0.008","1130.6","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H48 Cl2 Cu N8 O12 -","- C44 H48 Cl2 Cu N8 O12 -","- C44 H48 Cl2 Cu N8 O12 -","1","0.5","AW5090","Loukopoulos, Edward; Papatriantafyllopoulou, Constantina; Moushi, Eleni; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism in a series of copper(II) complexes with the 5-phenylimidazole/perchlorate system as ligands.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 4","347","359","10.1107/S2052520624005948","","","0.71073","MoKα","","0.1146","0.0689","","","0.1506","0.1842","","","","","","1.061","","","","has coordinates,has Fobs","294673","2024-09-07","05:28:44",""
"2023232","10.0363","0.0005","10.1867","0.0006","11.9902","0.0006","83.078","0.005","82.032","0.004","70.015","0.005","1137.37","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H48 Cl2 Cu N8 O12 -","- C44 H48 Cl2 Cu N8 O12 -","- C44 H48 Cl2 Cu N8 O12 -","1","0.5","AW5090","Loukopoulos, Edward; Papatriantafyllopoulou, Constantina; Moushi, Eleni; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism in a series of copper(II) complexes with the 5-phenylimidazole/perchlorate system as ligands.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 4","347","359","10.1107/S2052520624005948","","","0.71073","MoKα","","0.0496","0.0423","","","0.107","0.1132","","","","","","1.067","","","","has coordinates,has Fobs","294673","2024-09-07","05:28:44",""
"2023233","8.6577","0.0004","9.8396","0.0004","12.82","0.0006","97.084","0.004","93.897","0.004","108.096","0.004","1023.61","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H42 Cl2 Cu N8 O9 -","- C40 H42 Cl2 Cu N8 O9 -","- C40 H42 Cl2 Cu N8 O9 -","1","0.5","AW5090","Loukopoulos, Edward; Papatriantafyllopoulou, Constantina; Moushi, Eleni; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism in a series of copper(II) complexes with the 5-phenylimidazole/perchlorate system as ligands.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 4","347","359","10.1107/S2052520624005948","","","0.71073","MoKα","","0.0337","0.0311","","","0.0803","0.083","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","294673","2024-09-07","05:28:44",""
"2023234","8.5437","0.0005","11.2672","0.0007","14.8534","0.0009","105.9","0.002","92.647","0.002","111.477","0.002","1262.4","0.13","200","2","200","2","","","","","","","","6","P -1","-P 1","2","hexaglycinium dodecaiodo-triplumbate","Hexaglycinium tetra-μ-iodido-octaiodidotriplumbate","","- C12 H36 I12 N6 O12 Pb3 -","- C12 H36 I12 N6 O12 Pb3 -","- C12 H36 I12 N6 O12 Pb3 -","1","0.5","JY2048","Tonoyan, Gayane S.; Giester, Gerald; Ghazaryan, Vahram V.; Chilingaryan, Ruben Yu.; Margaryan, Arthur A.; Mkrtchyan, Artak H.; Petrosyan, Aram M.","Crystal structure of hexaglycinium dodecaiodotriplumbate","Acta Crystallographica Section E Crystallographic Communications","2024","80","9","","","10.1107/S2056989024007606","","","0.71073","MoKα","","0.0289","0.0216","","","0.037","0.0385","","","","","","1.028","","","","has coordinates","294019","2024-08-07","01:58:55",""
"2023235","7.4579","0.0004","8.4601","0.0005","9.8864","0.0006","97.073","0.002","98.474","0.002","100.644","0.002","599.06","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis[aqua(2,2'-bipyridine)fluoridotin(II)] hexafluoridotin(IV)","","- C20 H20 F8 N4 O2 Sn3 -","- C20 H20 F8 N4 O2 Sn3 -","- C20 H20 F8 N4 O2 Sn3 -","1","0.5","OI2009","Röwekamp-Krugley, Natalia; Reuter, Hans","[SnF(bipy)(H2O)]2[SnF6], a mixed-valent inorganic tin(II)–tin(IV) compound","Acta Crystallographica Section E Crystallographic Communications","2024","80","9","","","10.1107/S2056989024007400","","","0.71073","MoKα","","0.0262","0.0223","","","0.0517","0.0533","","","","","","1.051","","","","has coordinates","294020","2024-08-07","01:59:09",""
"2023236","9.0494","0.0009","10.0326","0.0011","14.6932","0.0015","100.153","0.003","107.292","0.003","90.789","0.004","1250.6","0.2","298","2","298","2","","","","","","","","3","P -1","-P 1","2","Organic","(2<i>E</i>)-1-[3,5-Bis(benzyloxy)phenyl]-3-(4-ethoxyphenyl)prop-2-en-1-one","","- C31 H28 O4 -","- C31 H28 O4 -","- C62 H56 O8 -","2","1","HB8103","Jeyashri, K. R.; Logeshwari, G.; Rajapandiyan, U.; Sivakumar, K.; Selvanayagam, S.; Manikandan, H.; Kaviyarasu, K.","Synthesis and crystal structure of (2E)-1-[3,5-bis(benzyloxy)phenyl]-3-(4-ethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E Crystallographic Communications","2024","80","9","","","10.1107/S2056989024007552","","","0.71073","MoKα","","0.0881","0.0565","","","0.1501","0.1779","","","","","","1.048","","","","has coordinates","294021","2024-08-07","01:59:32",""
"2023237","9.3964","0.0008","20.2572","0.0016","9.9822","0.0007","90","","96.358","0.002","90","","1888.4","0.3","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorido[2-(3-cyclopentyl-1,2,4-triazol-5-yl-κ<i>N</i>^4^)pyridine-κ<i>N</i>]palladium(II) dimethylformamide monosolvate","","- C15 H21 Cl2 N5 O Pd -","- C15 H21 Cl2 N5 O Pd -","- C60 H84 Cl8 N20 O4 Pd4 -","4","1","EX2086","Dyakonenko, Viktoriya V.; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Ivanova, Ganna V.; Lampeka, Rostyslav D.","Crystal structure and Hirshfeld surface analysis of dichlorido[2-(3-cyclopentyl-1,2,4-triazol-5-yl-κN 4)pyridine-κN]palladium(II) dimethylformamide monosolvate","Acta Crystallographica Section E Crystallographic Communications","2024","80","9","","","10.1107/S2056989024007801","","","0.71073","MoKα","","0.0724","0.0511","","","0.0874","0.0925","","","","","","1.124","","","","has coordinates","294161","2024-08-17","01:49:47",""
"2023238","9.406","0.0003","19.3779","0.0004","9.4225","0.0003","90","","97.925","0.002","90","","1701.02","0.08","100","0.1","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","(1,4,7,10,13,16-Hexaoxacyclooctadecane-1κ^6^<i>O</i>)(μ-oxalato-1κ^2^<i>O</i>^1^,<i>O</i>^2^:2κ^2^<i>O</i>^1'^,<i>O</i>^2'^)triphenyl-2κ^3^<i>C</i>-potassium(I)tin(IV)","","- C32 H39 K O10 Sn -","- C32 H39 K O10 Sn -","- C64 H78 K2 O20 Sn2 -","2","1","NY2007","Song, Xueqing; Li, William; Torres, Yolanda; Greaves, Tazena","Crystal structure of (1,4,7,10,13,16-hexaoxacyclooctadecane-κ6 O)potassium-μ-oxalato-triphenylstannate(IV), the first reported 18-crown-6-stabilized potassium salt of triphenyloxalatostannate","Acta Crystallographica Section E Crystallographic Communications","2024","80","9","","","10.1107/S2056989024007758","","x-ray","0.71073","MoKα","","0.0368","0.0327","","","0.0848","0.1049","","","","","","1.077","","","","has coordinates","294162","2024-08-17","01:50:05",""
"2023239","12.5184","0.0004","9.1855","0.0002","22.1339","0.0006","90","","105.133","0.0015","90","","2456.87","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,3-Bis(acetoxymethyl)-5-{[(4,6-dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylbenzene","{3-[(Acetyloxy)methyl]-5-{[(4,6-dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylphenyl}methyl acetate","","- C26 H36 N2 O4 -","- C26 H36 N2 O4 -","- C104 H144 N8 O16 -","4","1","EX2085","Stapf, Manuel; Miyyapuram, Venugopal Rao; Seichter, Wilhelm; Mazik, Monika","Synthesis and crystal structure of 1,3-bis(acetoxymethyl)-5-{[(4,6-dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylbenzene","Acta Crystallographica Section E Crystallographic Communications","2024","80","9","","","10.1107/S2056989024007515","","","0.71073","MoKα","","0.0601","0.0422","","","0.1087","0.12","","","","","","1.025","","","","has coordinates","294163","2024-08-17","01:50:27",""
"2023240","9.229","0.003","19.235","0.006","30.058","0.01","90","","90","","90","","5336","3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-(2-Chloroacetyl)-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one","","- C33 H29 Cl N2 O2 -","- C33 H29 Cl N2 O2 -","- C264 H232 Cl8 N16 O16 -","8","1","WM5730","Divyabharathi, Sivagnanam; Karthiga, Anjalai Ramachandran; Shalo, Rajans Reshwen; Rajeswari, Krishnan; Vidhyasagar, Thankakan; Selvanayagam, Sivashanmugam","Crystal structure, Hirshfeld surface analysis, DFT and the molecular docking studies of 3-(2-chloroacetyl)-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one","Acta Crystallographica Section E Crystallographic Communications","2024","80","9","981","985","10.1107/S2056989024008302","","","0.71073","MoKα","","0.155","0.07","","","0.1196","0.1509","","","","","","1.067","","","","has coordinates","294309","2024-08-31","02:04:12",""
"2023241","10.02487","0.00011","11.92992","0.00015","16.6237","0.0002","100.479","0.0011","100.124","0.001","111.131","0.0011","1759.25","0.04","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","Diethyl {[(5-[2-(diethoxyphosphoryl)acetamido]-3-{2-[2-(diethoxyphosphoryl)acetamido]ethyl}pentyl)carbamoyl]methyl}phosphonate","","- C25 H52 N3 O12 P3 -","- C25 H52 N3 O12 P3 -","- C50 H104 N6 O24 P6 -","2","1","VU2007","Wackerle, Brandon G.; Werner, Eric J.; Staples, Richard J.; Biros, Shannon M.","Crystal structure of a tris(2-aminoethyl)methane capped carbamoylmethylphosphine oxide compound","Acta Crystallographica Section E Crystallographic Communications","2024","80","9","993","996","10.1107/S2056989024008478","","","1.54184","CuKα","","0.0435","0.0371","","","0.0952","0.0993","","","","","","1.072","","","","has coordinates,has disorder","294310","2024-08-31","02:04:31",""
"2023242","13.6667","0.0017","4.4102","0.0007","11.2816","0.0014","90","","90","","90","","679.97","0.16","173","2","173","2","","","","","","","","5","P m n 21","P 2ac -2","31","","Poly[[μ-aqua-aquabis(μ~3~-carbamoylcyanonitrosomethanido)barium] monohydrate]","","- C6 H10 Ba N6 O7 -","- C6 H10 Ba N6 O7 -","- C12 H20 Ba2 N12 O14 -","2","0.5","YZ2057","Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Ponomarova, Vira V.; Lysenko, Andrey B.; Krautscheid, Harald","Three-dimensional alkaline earth metal–organic framework poly[[μ-aqua-aquabis(μ3-carbamoylcyanonitrosomethanido)barium] monohydrate] and its thermal decomposition","Acta Crystallographica Section E Crystallographic Communications","2024","80","9","986","992","10.1107/S2056989024008375","","","0.71073","MoKα","","0.0171","0.0169","","","0.0428","0.0429","","","","","","1.154","","","","has coordinates","294311","2024-08-31","02:04:51",""
"2023243","10.8691","0.0008","9.4578","0.0007","17.7217","0.0014","90","","104.364","0.003","90","","1764.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[6-Bromo-2-(3-bromophenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one","","- C19 H18 Br2 N2 O -","- C19 H18 Br2 N2 O -","- C76 H72 Br8 N8 O4 -","4","1","NX2012","Pronina, Anastasia A.; Kutasevich, Alexandra G.; Grigoriev, Mikhail S.; Hasanov, Khudayar I.; Sadikhova, Nurlana D.; Javadzade, Tahir A.; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of 1-[6-bromo-2-(3-bromophenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one","Acta Crystallographica Section E Crystallographic Communications","2024","80","9","967","972","10.1107/S2056989024008144","","","0.71073","MoKα","","0.0468","0.029","","","0.0528","0.0574","","","","","","1.015","","","","has coordinates","294312","2024-08-31","02:05:06",""
"2023244","11.2716","0.0002","11.2716","0.0002","4.331","0.0001","90","","90","","90","","550.249","0.019","105","2","105","2","","","","","","","","4","P 4 b m","P 4 -2ab","100","Propane-1,3-diaminium squarate dihydrate","Propane-1,3-diaminium 3,4-dioxocyclobutene-1,2-diolate dihydrate","","- C7 H16 N2 O6 -","- C7 H16 N2 O6 -","- C14 H32 N4 O12 -","2","0.25","PK2708","Seidel, Rüdiger W.; Kolev, Tsonko M.","Crystal structure of propane-1,3-diaminium squarate dihydrate","Acta Crystallographica Section E Crystallographic Communications","2024","80","9","973","975","10.1107/S2056989024008235","","","0.71073","MoKα","","0.0282","0.0268","","","0.069","0.0702","","","","","","1.093","","","","has coordinates","294313","2024-08-31","02:05:19",""
"2023245","6.5176","0.0013","9.4854","0.0019","15.967","0.002","90","","93.035","0.015","90","","985.7","0.3","200","0.1","200.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[μ-2,2'-(4<i>H</i>-1,2,4-triazole-3,5-diyl)diacetato]bis[diaquacopper(II)] dihydrate","","- C12 H22 Cu2 N6 O14 -","- C12 H22 Cu2 N6 O14 -","- C24 H44 Cu4 N12 O28 -","2","0.5","OI2010","Vynohradov, Oleksandr S.; Vashchenko, Oleksandr V.; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Raspertova, Ilona V.; Lampeka, Rostyslav D.; Stoica, Alexandru-Constantin","Synthesis, crystal structure and Hirshfeld surface analysis of a new copper(II) complex based on diethyl 2,2′-(4H-1,2,4-triazole-3,5-diyl)diacetate","Acta Crystallographica Section E Crystallographic Communications","2024","80","9","976","980","10.1107/S2056989024008259","","","0.71073","MoKα","","0.0572","0.041","","","0.0912","0.0957","","","","","","1.004","","","","has coordinates","294314","2024-08-31","02:05:32",""
"2023246","21.03214","0.00018","8.61349","0.00006","16.69445","0.00013","90","","102.555","0.0008","90","","2952.05","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3-Dihydro-2<i>H</i>-benzimidazol-2-iminium 3-carboxy-4-hydroxybenzenesulfonate","","- C14 H13 N3 O6 S -","- C14 H13 N3 O6 S -","- C112 H104 N24 O48 S8 -","8","2","WM5724","Mukhammadiev, Salmon; Rajabov, Sarvar; Tojiboev, Akmaljon; Ashurov, Jamshid; Murodov, Sardor; Daminova, Shahlo","Synthesis, crystal structure, and Hirshfeld surface analysis of 1,3-dihydro-2H-benzimidazol-2-iminium 3-carboxy-4-hydroxybenzenesulfonate","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","","","10.1107/S2056989024008557","","x-ray","1.54184","CuKα","","0.0378","0.0338","","","0.0962","0.0992","","","","","","1.055","","","","has coordinates","294669","2024-09-07","01:44:51",""
"2023247","7.14981","0.00011","9.79512","0.00011","10.74206","0.00014","90","","96.9437","0.0014","90","","746.784","0.017","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Methoxy-5-nitroaniline","","- C7 H8 N2 O3 -","- C7 H8 N2 O3 -","- C28 H32 N8 O12 -","4","1","EV2011","Filley, Jonathan","Color center creation by dipole stacking in crystals of 2-methoxy-5-nitroaniline","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","","","10.1107/S2056989024008739","","x-ray","1.54184","CuKα","","0.0392","0.0353","","","0.0927","0.0974","","","","","","1.057","","","","has coordinates","294712","2024-09-11","01:38:06",""
"2023248","6.2445","0.0008","13.2335","0.0016","13.4984","0.0016","79.168","0.002","88.671","0.002","78.962","0.002","1075.2","0.2","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","Tris[(6-bromopyridin-2-yl)methyl]amine","","- C18 H15 Br3 N4 -","- C18 H15 Br3 N4 -","- C36 H30 Br6 N8 -","2","1","EV2008","Yan, Ran; Dai, Zhaohua; Shlian, Daniel G.; Mitchell, Trinit'y D.; Loo, Aaron; Mulosmani, Kaltrina; Upmacis, Rita K.","Molecular structure of tris[(6-bromopyridin-2-yl)methyl]amine","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","","","10.1107/S2056989024008685","","","0.71073","MoKα","","0.0884","0.0452","","","0.0984","0.1139","","","","","","1.016","","","","has coordinates","294713","2024-09-11","01:38:20",""
"2023249","9.3404","0.0006","13.1888","0.0009","17.4549","0.0011","79.515","0.002","87.981","0.002","88.516","0.002","2112.6","0.2","300","2","300","2","","","","","","","","5","P -1","-P 1","2","3-Methyl-1-(2-thiocyanatoacetyl)-2,6-bis(4-methylphenyl)piperidin-4-one","1-[2-(Cyanosulfanyl)acetyl]-3-methyl-2,6-bis(4-methylphenyl)piperidin-4-one","","- C23 H24 N2 O2 S -","- C23 H24 N2 O2 S -","- C92 H96 N8 O8 S4 -","4","2","VU2005","Karthiga, A. R.; Divyabharathi, S.; Shalo, R. Reshwen; Rajeswari, K.; Vidhyasagar, T.; Selvanayagam, S.","Crystal structure, Hirshfeld surface analysis, DFT optimized molecular structure and the molecular docking studies of 1-[2-(cyanosulfanyl)acetyl]-3-methyl-2,6-bis(4-methylphenyl)piperidin-4-one","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","","","10.1107/S2056989024008508","","","0.71073","MoKα","","0.1594","0.0769","","","0.1859","0.2423","","","","","","1.052","","","","has coordinates,has disorder","294735","2024-09-13","01:33:45",""
"2023250","9.4289","0.001","9.6739","0.0009","11.4872","0.0011","90","","97.668","0.004","90","","1038.43","0.18","270","2","270","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4'-Cyano-[1,1'-biphenyl]-4-yl 3-(benzyloxy)benzoate","","- C27 H19 N O3 -","- C27 H19 N O3 -","- C54 H38 N2 O6 -","2","1","HB8105","Harish Kumar, M.; Vinduvahini, M.; Devarajegowda, H. C.; Srinivasa, H. T.; Palakshamurthy, B. S.","Synthesis, crystal structure and Hirshfeld surface analysis of 4′-cyano-[1,1′-biphenyl]-4-yl 3-(benzyloxy)benzoate","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","","","10.1107/S2056989024008570","","","0.71073","MoKα","","0.0432","0.0379","","","0.0777","0.0795","","","","","","1.083","","","","has coordinates","294736","2024-09-13","01:34:01",""
"2023251","13.732","0.0001","8.2475","0.0001","15.5387","0.0002","90","","107.505","0.001","90","","1678.33","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(<i>E</i>)-<i>N</i>-(2-Styrylphenyl)benzenesulfonamide","<i>N</i>-{2-[(<i>E</i>)-2-Phenylethenyl]phenyl}benzenesulfonamide","","- C20 H17 N O2 S -","- C20 H17 N O2 S -","- C80 H68 N4 O8 S4 -","4","1","NX2013","Albert A. M., Dharani; Nagaraj, Achyuta; Somarathinam, Kanagasabai; Vinayagam, Pavunkumar; Arasambattu K., Mohanakrishnan; Kothandan, Gugan","Crystal structure and Hirshfeld surface analysis of (E)-N-(2-styrylphenyl)benzenesulfonamide","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","","","10.1107/S2056989024008892","","x-ray","1.54184","CuKα","","0.0329","0.0316","","","0.0834","0.0844","","","","","","1.073","","","","has coordinates","294840","2024-09-21","02:24:17",""
"2023252","11.087","0.003","11.758","0.005","11.991","0.003","90","","115.337","0.006","90","","1412.8","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(Phenylselanyl)[1,2,4]selenadiazolo[4,5-<i>a</i>]pyridin-4-ylium chloride dichloromethane","","- C12.35 H9.7 Cl1.7 N2 Se2 -","- C12.352 H9.704 Cl1.704 N2 Se2 -","- C49.408 H38.816 Cl6.816 N8 Se8 -","4","1","JW2003","Temesgen, Ayalew W.; Tskhovrebov, Alexander G.; Artemjev, Alexey A.; Kubasov, Alexey S.; Novikov, Alexander S.; Borisov, Alexander V.; Kirichuk, Anatoly A.; Kritchenkov, Andreii S.; Le, Tuan Anh","Coupling between 2-pyridylselenyl chloride and phenylselenocyanate: synthesis, crystal structure and non-covalent interactions","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","","","10.1107/S2056989024008831","","","0.71073","MoKα","","0.0634","0.0432","","","0.0826","0.0881","","","","","","1.062","","","","has coordinates,has disorder","294841","2024-09-21","02:24:39",""
"2023253","10.297","0.004","10.94","0.004","11.711","0.005","63.57","0.03","72.47","0.03","62.92","0.03","1043.8","0.8","163","2","163","2","","","","","","","","6","P -1","-P 1","2","Indium(III)[5-nonanoyl-8-hydroxyquinolinate]dichloride monohydrate","Bis(μ~2~-5-nonanoylquinolin-8-olato)bis[aquadichloridoindium(III)]","","- C36 H48 Cl4 In2 N2 O6 -","- C36 H48 Cl4 In2 N2 O6 -","- C36 H48 Cl4 In2 N2 O6 -","1","0.5","JP2009","Fuhrmann, Betty; Meier, Eric; Mazik, Monika","Crystal structure of bis(μ2-5-nonanoylquinolin-8-olato)bis[aquadichloridoindium(III)]","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","","","10.1107/S205698902400882X","","x-ray","0.71073","MoKα","","0.0713","0.0388","","","0.0555","0.0606","","","","","","0.879","","","","has coordinates","294842","2024-09-21","02:25:13",""
"2023254","11.67627","0.00007","11.61861","0.00006","10.60662","0.00007","90","","107.593","0.0007","90","","1371.61","0.015","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[ethanol(μ-4-methylpyridine <i>N</i>-oxide)di-μ-thiocyanato-cobalt(II)]","","- C10 H13 Co N3 O2 S2 -","- C10 H13 Co N3 O2 S2 -","- C40 H52 Co4 N12 O8 S8 -","4","1","PK2710","Näther, Christian; Jess, Inke","Synthesis and crystal structure of poly[ethanol(μ-4-methylpyridine N-oxide)di-μ-thiocyanato-cobalt(II)]","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","","","10.1107/S2056989024009058","","x-ray","1.54184","CuKα","","0.0223","0.0221","","","0.0581","0.0582","","","","","","1.051","","","","has coordinates","294843","2024-09-21","02:26:26",""
"2023255","11.9686","0.0012","21.18","0.002","20.107","0.002","90","","92.659","0.007","90","","5091.5","0.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","A1/A2-Bromobutoxy–hydroxy difunctionalized pillar[5]arene– hexanedinitrile (1/1)","","- C53 H61.18 Br0.82 N2 O10 -","- C52.9988 H61.1838 Br0.8153 N2 O9.9997 -","- C211.995 H244.735 Br3.2612 N8 O39.9988 -","4","1","JQ2036","Vinodh, Mickey; Al-Azemi, Talal F.","Crystal structure and supramolecular features of a host–guest inclusion complex based on A1/A2-hetero-difunctionalized pillar[5]arene","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","","","10.1107/S2056989024009216","","","0.71075","MoKα","","0.0951","0.0541","","","0.1479","0.1702","","","","","","1.017","","","","has coordinates,has disorder","294881","2024-09-25","02:05:46",""
"2023256","11.3889","0.0008","15.6537","0.0011","12.5193","0.0009","90","","99.92","0.002","90","","2198.6","0.3","100.15","","100.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,2'-Diisobutoxy-1,1'-binaphthalene","","- C28 H30 O2 -","- C28 H30 O2 -","- C112 H120 O8 -","4","1","HB8104","Coulibaly, Pénayori Marie-Aimée; Ziki, Eric; Bisseyou, Yvon Bibila Mayaya; Camara, Tchambaga Etienne; Coulibaly, Souleymane; Sissouma, Drissa","Synthesis, non-spherical structure refinement and Hirshfeld surface analysis of racemic 2,2′-diisobutoxy-1,1′-binaphthalene","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","","","10.1107/S2056989024009101","","","0.71073","MoKα","","0.0352","0.0226","","","0.0441","0.0502","","","","","","1.0755","","","","has coordinates","294882","2024-09-25","02:06:02",""
"2023257","7.0557","0.0005","14.5923","0.0008","17.4171","0.0013","90","","92.253","0.009","90","","1791.9","0.2","170","2","170.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[μ-chlorido-μ-(2,3-dimethylpyrazine)-copper(I)] ethanol hemisolvate]","","- C7 H11 Cl Cu N2 O0.5 -","- C7 H11 Cl Cu N2 O0.5 -","- C56 H88 Cl8 Cu8 N16 O4 -","8","2","NX2014","Näther, Christian; Jess, Inke","Synthesis and crystal structure of poly[[μ-chlorido-μ-(2,3-dimethylpyrazine)-copper(I)] ethanol hemisolvate], which shows a new isomeric CuCl(2,3-dimethylpyrazine) network","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","","","10.1107/S2056989024009174","","","0.71073","MoKα","","0.0558","0.0378","","","0.0917","0.0998","","","","","","1.014","","","","has coordinates,has disorder","294883","2024-09-25","02:06:19",""
"2023258","19.1227","0.001","19.1227","0.001","7.477","0.0005","90","","90","","120","","2367.9","0.2","173","2","173","2","","","","","","","","5","P -3","-P 3","147","","Hexakis(1-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)zinc(II) dinitrate","","- C24 H36 N14 O6 Zn -","- C24 H36 N14 O6 Zn -","- C72 H108 N42 O18 Zn3 -","3","0.5","YY2011","Magwa, Nomampondo Penelope; Rashamuse, Thompho Jason","Synthesis, characterization, and crystal structure of hexakis(1-methyl-1H-imidazole-κN 3)zinc(II) dinitrate","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","","","10.1107/S2056989024008806","","x-ray","0.71073","MoKα","","0.036","0.0315","","","0.0829","0.0904","","","","","","1.121","","","","has coordinates","294884","2024-09-25","02:06:39",""
"2023259","5.8838","0.0008","11.6532","0.0015","12.3276","0.0016","84.722","0.006","78.442","0.005","81.94","0.005","818.14","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Sulfamethoxazolium methyl sulfate monohydrate","4-[(5-Methyl-1,2-oxazol-3-yl)sulfamoyl]anilinium methyl sulfate monohydrate","","- C11 H17 N3 O8 S2 -","- C11 H17 N3 O8 S2 -","- C22 H34 N6 O16 S4 -","2","1","EX2088","Moroni, Aldana B.; Bottoso, Tiago; Lionello, Diego F.; Vega, Daniel R.; Kaufman, Teodoro S.; Calvo, Natalia L.","Synthesis, crystal structure and Hirshfeld surface analysis of sulfamethoxazolium methylsulfate monohydrate","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","","","10.1107/S2056989024009204","","","0.71073","MoKα","","0.0568","0.043","","","0.089","0.1","","","","","","1.058","","","","has coordinates","294885","2024-09-25","02:06:54",""
"2023260","9.1085","0.0009","13.1958","0.0013","14.9869","0.0014","90","","102.261","0.003","90","","1760.2","0.3","150.15","","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Trichloro-phenyl-(1,10-phenanthroline)-tin(iv)","Trichlorido(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')phenyltin(IV)","","- C18 H13 Cl3 N2 Sn -","- C18 H13 Cl3 N2 Sn -","- C72 H52 Cl12 N8 Sn4 -","4","1","ZN2038","Benlatreche, Tarek; Bensegueni, Mohamed Abdellatif; Dénès, Georges; Golhen, Stéphane; Merazig, Hocine","Crystal structure and Hirshfeld surface analysis of trichlorido(1,10-phenanthroline-κ2 N,N′)phenyltin(IV)","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","","","10.1107/S2056989024009150","","","0.71073","MoKα","","0.0289","0.0246","","","0.0523","0.0545","","","","","","1.142","","","","has coordinates","294886","2024-09-25","02:07:09",""
"2023261","8.4699","0.0005","9.7818","0.0005","12.9026","0.0011","77.238","0.006","89.207","0.006","78.038","0.005","1019.37","0.12","291.15","","291.15","","","","","","","","","6","P -1","-P 1","2","","8-Hydroxyquinolinium trichlorido(pyridine-2,6-dicarboxylic acid-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')copper(II) dihydrate","","- C16 H17 Cl3 Cu N2 O7 -","- C16 H17 Cl3 Cu N2 O7 -","- C32 H34 Cl6 Cu2 N4 O14 -","2","1","EJ2008","Nazarov, Yusufjon Eshkobilovich; Turaev, Khayit Khudainazarovich; Suyunov, Jabbor Ruziboevich; Alimnazarov, Bekmurod Khurramovich; Rasulov, Abdusamat Abdujabborovich; Ibragimov, Bakhtiyar Tulyaganovich; Ashurov, Jamshid Mengnorovich","8-Hydroxyquinolinium trichlorido(pyridine-2,6-dicarboxylic acid-κ3 O,N,O′)copper(II) dihydrate","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","","","10.1107/S2056989024009186","","x-ray","1.54184","CuKα","","0.0611","0.0415","","","0.0937","0.1046","","","","","","1.013","","","","has coordinates","294887","2024-09-25","02:07:30",""
"2023262","12.8451","0.0014","7.4508","0.0007","15.9284","0.0017","90","","96.965","0.003","90","","1513.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{2-[Bis(pyridin-2-ylmethyl)amino]ethane-1-thiolato}chloridocadmium(II)","","- C14 H16 Cd Cl N3 S -","- C14 H16 Cd Cl N3 S -","- C56 H64 Cd4 Cl4 N12 S4 -","4","1","YZ2058","Reynolds, Todd M.; Berry, Steven M.; Bebout, Deborah C.","Crystal structure and Hirshfeld surface analysis of {2-[bis(pyridin-2-ylmethyl)amino]ethane-1-thiolato}chloridocadmium(II)","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","1081","1086","10.1107/S2056989024009198","","","0.71073","MoKα","","0.0153","0.0148","","","0.0348","0.0353","","","","","","1.078","","","","has coordinates","294949","2024-10-01","02:14:07",""
"2023263","9.5599","0.0004","11.8056","0.0005","17.5322","0.0007","94.808","0.002","104.562","0.002","95.408","0.002","1894.7","0.14","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","","2,3,5-Triphenyltetrazol-3-ium chloride hemipentahydrate","","- C19 H20 Cl N4 O2.5 -","- C19 H20 Cl N4 O2.5 -","- C76 H80 Cl4 N16 O10 -","4","2","HB8107","Uppu, Rao M.; Chikkula, Krishnaveni; Saneei, Soheil; Babu, Sainath; Fronczek, Frank R.","Structure of 2,3,5-triphenyltetrazol-3-ium chloride hemipentahydrate","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","1097","1100","10.1107/S205698902400940X","","","0.56086","AgKα","","0.078","0.0632","","","0.134","0.1413","","","","","","1.158","","","","has coordinates","294950","2024-10-01","02:14:35",""
"2023264","14.2552","0.0004","9.0574","0.0002","23.0043","0.0007","90","","96.703","0.003","90","","2949.9","0.14","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","Bis(triisopropylphosphane sulfide)gold(I) tetrachloridoaurate(III)","Bis[tris(propan-2-yl)-λ^5^-phosphanethione-κ<i>S</i>]gold(I) tetrachloridoaurate(III)","","- C18 H42 Au2 Cl4 P2 S2 -","- C18 H42 Au2 Cl4 P2 S2 -","- C72 H168 Au8 Cl16 P8 S8 -","4","1","WM5733","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of seven mixed-valence gold compounds of the form [(R 1 R 2 R 3PE)2AuI]+[AuIII X 4]− (R = tert-butyl or isopropyl, E = S or Se, and X = Cl or Br)","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","1087","1096","10.1107/S2056989024009095","","","0.71073","MoKα","","0.0463","0.0282","","","0.0449","0.0491","","","","","","1.047","","","","has coordinates","294951","2024-10-01","02:15:40",""
"2023265","11.7607","0.0003","16.4174","0.0004","17.2173","0.0004","79.931","0.002","76.467","0.002","78.015","0.002","3133.59","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H46 Au2 Cl4 P2 S2 -","- C20 H46 Au2 Cl4 P2 S2 -","- C80 H184 Au8 Cl16 P8 S8 -","4","2","WM5733","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of seven mixed-valence gold compounds of the form [(R 1 R 2 R 3PE)2AuI]+[AuIII X 4]− (R = tert-butyl or isopropyl, E = S or Se, and X = Cl or Br)","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","1087","1096","10.1107/S2056989024009095","","","0.71073","MoKα","","0.0488","0.0297","","","0.0495","0.0547","","","","","","1.052","","","","has coordinates","294951","2024-10-01","02:15:41",""
"2023266","8.5541","0.0002","9.155","0.0003","12.0421","0.0004","107.427","0.003","97.511","0.003","102.841","0.003","857.31","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Bis(tri-<i>tert</i>-butylphosphane sulfide)gold(I) tetrachloridoaurate(III)","Bis(tri-<i>tert</i>-butylphosphane sulfide-κ<i>S</i>)gold(I) tetrachloridoaurate(III)","","- C24 H54 Au2 Cl4 P2 S2 -","- C24 H54 Au2 Cl4 P2 S2 -","- C24 H54 Au2 Cl4 P2 S2 -","1","0.5","WM5733","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of seven mixed-valence gold compounds of the form [(R 1 R 2 R 3PE)2AuI]+[AuIII X 4]− (R = tert-butyl or isopropyl, E = S or Se, and X = Cl or Br)","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","1087","1096","10.1107/S2056989024009095","","","0.71073","MoKα","","0.0204","0.0161","","","0.0365","0.0382","","","","","","1.094","","","","has coordinates","294951","2024-10-01","02:15:41",""
"2023267","13.7871","0.0004","10.4042","0.0003","22.724","0.0006","90","","93.035","0.003","90","","3255.04","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H46 Au2 Br4 P2 S2 -","- C20 H46 Au2 Br4 P2 S2 -","- C80 H184 Au8 Br16 P8 S8 -","4","1","WM5733","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of seven mixed-valence gold compounds of the form [(R 1 R 2 R 3PE)2AuI]+[AuIII X 4]− (R = tert-butyl or isopropyl, E = S or Se, and X = Cl or Br)","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","1087","1096","10.1107/S2056989024009095","","","0.71073","MoKα","","0.0601","0.0459","","","0.1032","0.1117","","","","","","1.015","","","","has coordinates","294951","2024-10-01","02:15:41",""
"2023268","13.7265","0.0003","10.5615","0.0003","22.7782","0.0005","90","","94.096","0.002","90","","3293.78","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Bis(<i>tert</i>-butyldiisopropylphosphane selenide)gold(I) tetrabromidoaurate(III)","Bis[<i>tert</i>-butylbis(propan-2-yl)-λ^5^-phosphaneselanone-κ<i>Se</i>]gold(I) tetrabromidoaurate(III)","","- C20 H46 Au2 Br4 P2 Se2 -","- C20 H46 Au2 Br4 P2 Se2 -","- C80 H184 Au8 Br16 P8 Se8 -","4","1","WM5733","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of seven mixed-valence gold compounds of the form [(R 1 R 2 R 3PE)2AuI]+[AuIII X 4]− (R = tert-butyl or isopropyl, E = S or Se, and X = Cl or Br)","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","1087","1096","10.1107/S2056989024009095","","","0.71073","MoKα","","0.0516","0.0298","","","0.0445","0.049","","","","","","1.027","","","","has coordinates","294951","2024-10-01","02:15:42",""
"2023269","8.4858","0.0004","9.3738","0.0004","11.991","0.0005","105.533","0.004","97.476","0.004","99.318","0.004","891.63","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Bis(tri-<i>tert</i>-butylphosphane sulfide)gold(I) tetrabromidoaurate(III)","Bis(tri-<i>tert</i>-butylphosphane sulfide)gold(I) tetrabromidoaurate(III)","","- C24 H54 Au2 Br4 P2 S2 -","- C24 H54 Au2 Br4 P2 S2 -","- C24 H54 Au2 Br4 P2 S2 -","1","0.5","WM5733","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of seven mixed-valence gold compounds of the form [(R 1 R 2 R 3PE)2AuI]+[AuIII X 4]− (R = tert-butyl or isopropyl, E = S or Se, and X = Cl or Br)","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","1087","1096","10.1107/S2056989024009095","","","0.71073","MoKα","","0.0212","0.0165","","","0.0314","0.0325","","","","","","1.06","","","","has coordinates","294951","2024-10-01","02:15:42",""
"2023270","8.4403","0.0004","9.2135","0.0004","12.6496","0.0005","106.172","0.004","101.1","0.004","97.485","0.004","909.28","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Bis(tri-<i>tert</i>-butylphosphane selenide)gold(I) tetrabromidoaurate(III)","Bis(tri-<i>tert</i>-butylphosphane selenide-κ<i>Se</i>)gold(I) tetrabromidoaurate(III)","","- C24 H54 Au2 Br4 P2 Se2 -","- C24 H54 Au2 Br4 P2 Se2 -","- C24 H54 Au2 Br4 P2 Se2 -","1","0.5","WM5733","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of seven mixed-valence gold compounds of the form [(R 1 R 2 R 3PE)2AuI]+[AuIII X 4]− (R = tert-butyl or isopropyl, E = S or Se, and X = Cl or Br)","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","1087","1096","10.1107/S2056989024009095","","","0.71073","MoKα","","0.0284","0.0204","","","0.0344","0.0358","","","","","","1.062","","","","has coordinates","294951","2024-10-01","02:15:42",""
"2023271","5.782","0.0003","26.5057","0.0014","11.7704","0.0005","90","","90.407","0.004","90","","1803.84","0.15","160","0.1","160","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[(1-Hexyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-3-(1-methylethenyl)benzimidazol-2-one","","- C19 H25 N5 O -","- C19 H25 N5 O -","- C76 H100 N20 O4 -","4","1","WM5732","El Atrassi, Zakaria; Benzekri, Zakaria; Blacque, Olivier; Hökelek, Tuncer; Mazzah, Ahmed; Cherkaoui, Hassan; Sebbar, Nada Kheira","Crystal structure, Hirshfeld surface analysis, and calculations of intermolecular interaction energies and energy frameworks of 1-[(1-hexyl-1H-1,2,3-triazol-4-yl)methyl]-3-(1-methylethenyl)-benzimidazol-2-one","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","1075","1080","10.1107/S2056989024008703","","x-ray","1.54184","CuKα","","0.0561","0.0452","","","0.1164","0.1273","","","","","","1.026","","","","has coordinates,has disorder","294952","2024-10-01","02:16:09",""
"2023272","13.15698","0.00017","13.5836","0.00018","17.547","0.0003","88.5722","0.0012","87.003","0.0012","79.7149","0.0011","3080.99","0.08","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","(η^2^:η^2^-Cycloocta-1,5-diene)(η^6^-toluene)iridium(I) tri-μ-chlorido-bis({3-[(di-<i>tert</i>-butylphosphanyl)oxy]-9,10-dioxoanthracen-2-yl}hydridoiridium(III)) toluene monosolvate,","","- C66 H78 Cl3 Ir3 O6 P2 -","- C66 H78 Cl3 Ir3 O6 P2 -","- C132 H156 Cl6 Ir6 O12 P4 -","2","1","JY2049","Thackeray, Sachin; Mahoney, James; Arrington, Ashleigh; Wilklow-Marnell, Miles; Brennessel, William W.","Crystal structures of the (η2:η2-cycloocta-1,5-diene)(η6-toluene)iridium(I) cation and μ-chlorido-iridium(III) complexes of 2-(phosphinito)- and 2-(phosphinomethyl)anthraquinone ligands","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","1101","1109","10.1107/S2056989024008922","","x-ray","1.54184","CuKα","","0.0432","0.0353","","","0.0886","0.0919","","","","","","1.04","","","","has coordinates,has disorder","294953","2024-10-01","02:16:30",""
"2023273","8.8215","0.0003","12.1331","0.0004","14.4895","0.0003","81.5747","0.0019","84.576","0.002","76.465","0.003","1488.57","0.08","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","Di-μ-chlorido-bis(carbonyl{3-[(di-<i>tert</i>-butylphosphanyl)oxy]-9,10-dioxoanthracen-2-yl}hydridoiridium(I))","","- C48 H54 Cl2 Ir2 O6 P2 -","- C48 H54 Cl2 Ir2 O6 P2 -","- C48 H54 Cl2 Ir2 O6 P2 -","1","0.5","JY2049","Thackeray, Sachin; Mahoney, James; Arrington, Ashleigh; Wilklow-Marnell, Miles; Brennessel, William W.","Crystal structures of the (η2:η2-cycloocta-1,5-diene)(η6-toluene)iridium(I) cation and μ-chlorido-iridium(III) complexes of 2-(phosphinito)- and 2-(phosphinomethyl)anthraquinone ligands","Acta Crystallographica Section E Crystallographic Communications","2024","80","10","1101","1109","10.1107/S2056989024008922","","x-ray","1.54184","CuKα","","0.0298","0.027","","","0.0662","0.0671","","","","","","1.064","","","","has coordinates","294953","2024-10-01","02:16:31",""
"2023274","3.6374","0.0001","11.3412","0.0004","26.751","0.0008","90","","92.162","0.003","90","","1102.76","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-Amino-2-oxo-2,3-dihydropyrimidin-1-ium 3-carboxypyridine-2-carboxylate","","- C11 H10 N4 O5 -","- C11 H10 N4 O5 -","- C44 H40 N16 O20 -","4","1","WV3015","Książkiewicz, Olga","A salt from biologically active compounds pyridine-2,3-dicarboxylic (quinolinic) acid and cytosine.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 11","742","747","10.1107/S2053229624009598","","x-ray","1.54184","CuKα","","0.0532","0.0499","","","0.1251","0.1268","","","","","","1.137","","","","has coordinates,has Fobs","296764","2024-12-07","17:07:12",""
"2023275","9.11238","0.00007","13.67434","0.0001","27.49214","0.00018","90","","92.9206","0.0006","90","","3421.23","0.04","100.01","0.1","100.01","0.1","","","","","","","","8","P 1 c 1","P -2yc","7","","(μ-Tetrathioantimonato-κ^2^<i>S</i>:<i>S</i>')bis[(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)zinc(II)] perchlorate 0.8-hydrate","","- C20 H49.6 Cl N8 O4.8 S4 Sb Zn2 -","- C20 H49.6 Cl N8 O4.8 S4 Sb Zn2 -","- C80 H198.4 Cl4 N32 O19.2 S16 Sb4 Zn8 -","4","2","HB8108","Näther, Christian; Lühmann, Henning; Bensch, Wolfgang","Synthesis, crystal structure and properties of μ-tetrathioantimonato-bis[(cyclam)zinc(II)] perchlorate 0.8-hydrate","Acta Crystallographica Section E Crystallographic Communications","2024","80","11","1151","1156","10.1107/S2056989024009356","","x-ray","0.71073","MoKα","","0.0238","0.0227","","","0.0577","0.0582","","","","","","1.025","","","","has coordinates,has disorder","296768","2024-12-07","17:09:04",""
"2023276","6.7412","0.0008","8.2961","0.0008","11.8621","0.0017","79.608","0.002","89.207","0.002","87.03","0.001","651.63","0.14","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[triaquasodium]-di-μ-aqua-[triaquasodium]-μ-(ethane-1,2-diyl)bis[(3-methoxypropyl)phosphinodithiolato]]","","- C5 H19 Na O5 P S2 -","- C5 H19 Na O5 P S2 -","- C10 H38 Na2 O10 P2 S4 -","2","1","EV2010","Nell, Bryan P.; Tyler, David R.; Zakharov, Lev N.; Johnston, Dean H.","Synthesis and crystal structure of sodium (ethane-1,2-diyl)bis[(3-methoxypropyl)phosphinodithiolate] octahydrate","Acta Crystallographica Section E Crystallographic Communications","2024","80","11","1138","1141","10.1107/S2056989024009642","","x-ray","0.71073","MoKα","","0.03","0.0264","","","0.0653","0.068","","","","","","1.021","","","","has coordinates,has disorder","296769","2024-12-07","17:09:12",""
"2023277","9.5718","0.0006","14.4498","0.0008","20.0041","0.0012","90","","92.874","0.002","90","","2763.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>N</i>-{[3-Bromo-1-(phenylsulfonyl)-1<i>H</i>-indol-2-yl]methyl}-<i>N</i>-(4-bromo-3-methoxyphenyl)benzenesulfonamide","","- C28 H22 Br2 N2 O5 S2 -","- C28 H22 Br2 N2 O5 S2 -","- C112 H88 Br8 N8 O20 S8 -","4","1","NU2007","Madhan, S.; NizamMohideen, M.; Pavunkumar, Vinayagam; MohanaKrishnan, Arasambattu K.","The crystal structures determination and Hirshfeld surface analysis of N-(4-bromo-3-methoxyphenyl)- and N-{[3-bromo-1-(phenylsulfonyl)-1H-indol-2-yl]methyl}- derivatives of N-{[3-bromo-1-(phenylsulfonyl)-1H-indol-2-yl]methyl}benzenesulfonamide","Acta Crystallographica Section E Crystallographic Communications","2024","80","11","1110","1117","10.1107/S2056989024009587","","","0.71073","MoKα","","0.0568","0.0403","","","0.0888","0.0992","","","","","","1.053","","","","has coordinates","296771","2024-12-07","17:09:50",""
"2023278","8.2664","0.0004","34.7886","0.0018","12.5972","0.0006","90","","104.55","0.002","90","","3506.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>-Bis{[3-bromo-1-(phenylsulfonyl)-1<i>H</i>-indol-2-yl]methyl}benzenesulfonamide","","- C36 H27 Br2 N3 O6 S3 -","- C36 H27 Br2 N3 O6 S3 -","- C144 H108 Br8 N12 O24 S12 -","4","1","NU2007","Madhan, S.; NizamMohideen, M.; Pavunkumar, Vinayagam; MohanaKrishnan, Arasambattu K.","The crystal structures determination and Hirshfeld surface analysis of N-(4-bromo-3-methoxyphenyl)- and N-{[3-bromo-1-(phenylsulfonyl)-1H-indol-2-yl]methyl}- derivatives of N-{[3-bromo-1-(phenylsulfonyl)-1H-indol-2-yl]methyl}benzenesulfonamide","Acta Crystallographica Section E Crystallographic Communications","2024","80","11","1110","1117","10.1107/S2056989024009587","","","0.71073","MoKα","","0.0621","0.0478","","","0.1133","0.1199","","","","","","1.118","","","","has coordinates","296771","2024-12-07","17:09:50",""
"2023279","9.1747","0.0008","17.3698","0.0013","20.841","0.002","90","","101.049","0.003","90","","3259.7","0.5","300.15","","300.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","[1,3-Di-<i>tert</i>-butyl-2,4-bis(<i>tert</i>-butylamino)-1,3,2λ^5^,4λ^5^-diazadiphosphetidine-2,4-diselone-κ^2^<i>Se</i>,<i>Se</i>']diiodidomercury(II) <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C19 H45 Hg I2 N5 O P2 Se2 -","- C19 H45 Hg I2 N5 O P2 Se2 -","- C76 H180 Hg4 I8 N20 O4 P8 Se8 -","4","1","EV2009","Selby-Karney, Troy; Sampath, Kalpana; Arumugam, Kuppuswamy; Chandrasekaran, Chandru P.","Mercury(II) halide complex of cis-[( t BuNH)(Se)P(μ-N t Bu)2P(Se)(NH t Bu)]","Acta Crystallographica Section E Crystallographic Communications","2024","80","11","1142","1145","10.1107/S205698902400937X","","","0.71073","MoKα","","0.0702","0.0401","","","0.0789","0.0885","","","","","","1","","","","has coordinates","296772","2024-12-07","17:10:00",""
"2023280","9.4306","0.0003","8.5084","0.0003","26.7891","0.001","90","","93.27","0.001","90","","2146.04","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Benzyl-1-(3-bromopropyl)-5,5-diphenylimidazolidine-2,4-dione","","- C25 H23 Br N2 O2 -","- C25 H23 Br N2 O2 -","- C100 H92 Br4 N8 O8 -","4","1","JY2051","Lamssane, Houda; Haoudi, Amal; Kartah, Badr Eddine; Mazzah, Ahmed; Mague, Joel T.; Hökelek, Tuncer; Kandri Rodi, Youssef; Sebbar, Nada Kheira","Crystal structure and Hirshfeld surface analyses, crystal voids, intermolecular interaction energies and energy frameworks of 3-benzyl-1-(3-bromopropyl)-5,5-diphenylimidazolidine-2,4-dione","Acta Crystallographica Section E Crystallographic Communications","2024","80","11","1118","1124","10.1107/S2056989024009228","","","1.54178","CuKα","","0.0239","0.0236","","","0.0593","0.0595","","","","","","1.053","","","","has coordinates","296773","2024-12-07","17:10:13",""
"2023281","7.1738","0.0004","7.2872","0.0004","32.0348","0.0018","90","","91.111","0.002","90","","1674.37","0.16","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","<i>N</i>,<i>N</i>'-Dibenzylethylenediammonium dichloride","Benzyl[2-(benzylazaniumyl)ethyl]azanium dichloride","","- C16 H22 Cl2 N2 -","- C16 H22 Cl2 N2 -","- C64 H88 Cl8 N8 -","4","1","YY2013","Marmande, Mary Helene; Baxter, Bailey N.; Zeller, Matthias; Forbes, David C.","N,N′-Dibenzylethylenediammonium dichloride","Acta Crystallographica Section E Crystallographic Communications","2024","80","11","1130","1134","10.1107/S205698902400954X","","","1.54178","CuKα","","0.0348","0.0325","","","0.0937","0.0952","","","","","","1.075","","","","has coordinates","296774","2024-12-07","17:10:23",""
"2023282","12.3711","0.0007","3.8255","0.0002","21.4175","0.0012","90","","104.195","0.002","90","","982.65","0.09","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,4'-Bipyridine–4-nitrophenol (1/2)","","- C22 H18 N4 O6 -","- C22 H18 N4 O6 -","- C44 H36 N8 O12 -","2","0.5","JY2052","Gotingco, Angela; Villanueva Contreras, Merary; Wolfarth, Jeanette A.; Stieber, S. Chantal E.; Marr, Zoe Y.","Crystal structure of a hydrogen-bonded 2:1 co-crystal of 4-nitrophenol and 4,4′-bipyridine","Acta Crystallographica Section E Crystallographic Communications","2024","80","11","1135","1137","10.1107/S205698902400971X","","","0.71073","MoKα","","0.0765","0.0574","","","0.147","0.161","","","","","","1.098","","","","has coordinates","296777","2024-12-07","17:10:51",""
"2023283","8.7321","0.0005","15.2444","0.0009","10.8545","0.0006","90","","94.973","0.005","90","","1439.46","0.14","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Nitrato-κ^2^<i>O</i>,<i>O</i>')(1,4,7,10-tetraazacyclododecane-κ^4^<i>N</i>)nickel(II) nitrate","","- C8 H20 N6 Ni O6 -","- C8 H20 N6 Ni O6 -","- C32 H80 N24 Ni4 O24 -","4","1","PK2709","Reibenspies, Joseph; Small, Nadia; Bhuvanesh, Nattamai; Chiarella, Gina; Salazar, Vivian; Pery, Bréayshia; Smith, Rukiyah; Toole, Deja; Hewage, Shamika; Fernando, Harschica; Reinheimer, Eric","Crystal structure and Hirshfeld surface analysis of (nitrato-κ2 O,O′)(1,4,7,10-tetraazacyclododecane-κ4 N)nickel(II) nitrate","Acta Crystallographica Section E Crystallographic Communications","2024","80","11","1157","1160","10.1107/S2056989024009496","","","0.71073","MoKα","","0.0534","0.0362","","","0.0903","0.1044","","","","","","1.086","","","","has coordinates","296778","2024-12-07","17:11:00",""
"2023284","9.05718","0.00012","6.71363","0.00011","32.8419","0.0004","90","","95.9308","0.0012","90","","1986.31","0.05","99.99","0.11","99.99","0.11","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[1-(3,4-Dimethoxybenzyl)-6,7-dimethoxyisoquinoline–fumaric acid (1/0.5)","","- C22 H23 N O6 -","- C22 H23 N O6 -","- C88 H92 N4 O24 -","4","1","OX2007","Shibata, Hiroki; Sakon, Aya; Takata, Noriyuki; Takiyama, Hiroshi","Crystal structures of two different multi-component crystals consisting of 1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline and fumaric acid","Acta Crystallographica Section E Crystallographic Communications","2024","80","11","1146","1150","10.1107/S2056989024009794","","x-ray","1.54184","CuKα","","0.0347","0.0325","","","0.0852","0.087","","","","","","1.0424","","","","has coordinates","296780","2024-12-07","17:11:21",""
"2023285","9.529","0.0002","10.5445","0.0003","12.6509","0.0004","91.606","0.002","104.98","0.002","97.823","0.002","1213.86","0.06","99.9","0.4","99.9","0.4","","","","","","","","4","P -1","-P 1","2","","[1-(3,4-Dimethoxybenzyl)-6,7-dimethoxyisoquinoline–fumaric acid (1/1.5)","","- C26 H27 N O10 -","- C26 H27 N O10 -","- C52 H54 N2 O20 -","2","1","OX2007","Shibata, Hiroki; Sakon, Aya; Takata, Noriyuki; Takiyama, Hiroshi","Crystal structures of two different multi-component crystals consisting of 1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline and fumaric acid","Acta Crystallographica Section E Crystallographic Communications","2024","80","11","1146","1150","10.1107/S2056989024009794","","x-ray","1.54184","CuKα","","0.0599","0.0467","","","0.1226","0.1325","","","","","","1.064","","","","has coordinates,has disorder","296780","2024-12-07","17:11:21",""
"2023286","3.8056","0.00005","9.49424","0.00011","14.01599","0.00015","90","","92.9639","0.0011","90","","505.738","0.01","123.15","","123.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1<i>H</i>-1,2,4-Triazole-3,5-diamine monohydrate","","- C2 H7 N5 O -","- C2 H7 N5 O -","- C8 H28 N20 O4 -","4","1","DX2060","Inoue, Kazuki; Nakami, Shun; Kumasaki, Mieko; Matsumoto, Shinya","Synthesis and crystal structure of 1H-1,2,4-triazole-3,5-diamine monohydrate","Acta Crystallographica Section E Crystallographic Communications","2024","80","11","1161","1164","10.1107/S2056989024009265","","x-ray","1.54184","CuKα","","0.0318","0.0312","","","0.0799","0.0805","","","","","","1.11","","","","has coordinates","296787","2024-12-07","17:12:39",""
"2023287","17.4126","0.0013","5.0996","0.0004","14.9856","0.0011","90","","109.652","0.002","90","","1253.17","0.16","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","(1<i>S</i>,2<i>R</i>,3<i>S</i>,4<i>R</i>)-5-(But-3-en-1-ynyl)-1,2-dihydroxy-3,4-isopropylidenedioxocycle-5-hexene","(3a<i>S</i>,4<i>R</i>,5<i>S</i>,7a<i>R</i>)-7-(But-3-en-1-yn-1-yl)-2,2-dimethyl-3a,4,5,7a-tetrahydro-2<i>H</i>-1,3-benzodioxole-4,5-diol","","- C13 H16 O4 -","- C13 H16 O4 -","- C52 H64 O16 -","4","1","EE2008","Peixoto de Abreu Lima, Alejandro; Pandolfi, Enrique; Schapiro, Valeria; Suescun, Leopoldo","Synthesis, crystal structure and absolute configuration of (3aS,4R,5S,7aR)-7-(but-3-en-1-yn-1-yl)-2,2-dimethyl-3a,4,5,7a-tetrahydro-2H-1,3-benzodioxole-4,5-diol","Acta Crystallographica Section E Crystallographic Communications","2024","80","11","1165","1169","10.1107/S2056989024009733","","","1.54178","CuKα","","0.0908","0.0804","","","0.2344","0.2483","","","","","","1.128","","","","has coordinates","296788","2024-12-07","17:12:46",""
"2023288","9.6288","0.0003","11.5103","0.0004","13.0302","0.0005","78.734","0.003","81.153","0.003","77.708","0.003","1374.33","0.09","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","Bis[2-methyl-3-(pyridin-2-yl)imidazo[1,5-<i>a</i>]pyridin-2-ium] tetrachloridocadmium(II)","","- C26 H24 Cd Cl4 N6 -","- C26 H24 Cd Cl4 N6 -","- C52 H48 Cd2 Cl8 N12 -","2","1","EJ2007","Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Kokozay, Vladimir N.; Goreshnik, Evgeny A.","Triclinic polymorph of bis[2-methyl-3-(pyridin-2-yl)imidazo[1,5-a]pyridin-2-ium] tetrachloridocadmium(II)","Acta Crystallographica Section E Crystallographic Communications","2024","80","11","1125","1129","10.1107/S2056989024009654","","x-ray","0.71073","MoKα","","0.0438","0.0313","","","0.0589","0.0649","","","","","","1.092","","","","has coordinates","296789","2024-12-07","17:12:57",""
"2023289","12.9051","0.0002","12.9051","0.0002","57.6398","0.001","90","","90","","120","","8313.3","0.2","293","","293","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Mn13 Zn126.044 -","- Mn13 Zn126.046 -","- Mn52 Zn504.185 -","4","0.166667","","Mondal, Amit; Pan, Rahul; Kuila, Sandip Kumar; Dey, Riju; Jana, Partha Pratim","Synthesis and structural study of the partially disordered complex hexagonal phase δ<sub>1</sub>-MnZn<sub>9.7</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","6","688","694","10.1107/S2052520624008096","","x-ray","0.71073","MoKα","","0.0367","0.0207","","","0.0444","0.0501","","","","1.12","1.12","1.09","","","","has coordinates,has Fobs","296759","2024-12-07","17:05:43",""
"2023290","12.9085","0.0002","12.9085","0.0002","57.6528","0.001","90","","90","","120","","8319.6","0.2","293","","293","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Mn13 Zn126.103 -","- Mn13 Zn126.108 -","- Mn52 Zn504.432 -","4","0.166667","","Mondal, Amit; Pan, Rahul; Kuila, Sandip Kumar; Dey, Riju; Jana, Partha Pratim","Synthesis and structural study of the partially disordered complex hexagonal phase δ<sub>1</sub>-MnZn<sub>9.7</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","6","688","694","10.1107/S2052520624008096","","x-ray","0.71073","MoKα","","0.0475","0.0262","","","0.0529","0.0604","","","","1.19","1.19","1.15","","","","has coordinates,has Fobs","296759","2024-12-07","17:05:43",""
"2023291","9.4484","0.0008","7.0977","0.0007","15.3781","0.0014","90","","90","","90","","1031.28","0.16","296.15","","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Hydroxy-<i>N</i>'-methylacetohydrazide","","- C3 H8 N2 O2 -","- C3 H8 N2 O2 -","- C24 H64 N16 O16 -","8","1","YZ2059","Vashchenko, Oleksandr V.; Khomenko, Dmytro M.; Dyakonenko, Viktoriya V.; Lampeka, Rostyslav D.","Synthesis, structures and Hirshfeld surface analyses of 2-hydroxy-N′-methylacetohydrazide and 2-hydroxy-N-methylacetohydrazide","Acta Crystallographica Section E Crystallographic Communications","2024","80","11","1170","1174","10.1107/S2056989024009526","","","0.71073","MoKα","","0.1091","0.1028","","","0.1957","0.1985","","","","","","1.339","","","","has coordinates","296781","2024-12-07","17:11:31",""
"2023292","11.646","0.01","9.304","0.01","10.514","0.01","90","","105.65","0.04","90","","1097","1.8","296.15","","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Hydroxy-<i>N</i>-methylacetohydrazide","","- C3 H8 N2 O2 -","- C3 H8 N2 O2 -","- C24 H64 N16 O16 -","8","1","YZ2059","Vashchenko, Oleksandr V.; Khomenko, Dmytro M.; Dyakonenko, Viktoriya V.; Lampeka, Rostyslav D.","Synthesis, structures and Hirshfeld surface analyses of 2-hydroxy-N′-methylacetohydrazide and 2-hydroxy-N-methylacetohydrazide","Acta Crystallographica Section E Crystallographic Communications","2024","80","11","1170","1174","10.1107/S2056989024009526","","","0.71073","MoKα","","0.1624","0.0499","","","0.1049","0.1259","","","","","","0.813","","","","has coordinates","296781","2024-12-07","17:11:31",""
"2023293","35.5812","0.0004","29.757","0.0003","8.8942","0.0001","90","","90","","90","","9417.09","0.18","100.01","0.1","100.01","0.1","","","","","","","","6","F d d 2","F 2 -2d","43","","[μ~2~-7-[{Bis(pyridin-2-ylmethyl)amino-1κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}methyl]-5-chloroquinolin-8-olato-2κ<i>N</i>;1:2κ^2^<i>O</i>]trichlorido-1κ<i>Cl</i>,2κ^2^<i>Cl</i>-dizinc(II)","","- C22 H18 Cl4 N4 O Zn2 -","- C22 H18 Cl4 N4 O Zn2 -","- C352 H288 Cl64 N64 O16 Zn32 -","16","1","JP2012","Kubono, Koji; Tanaka, Kanata; Tani, Keita; Kashiwagi, Yukiyasu","Crystal structure of (μ2-7-{[bis(pyridin-2-ylmethyl)amino-1κ3 N,N′,N′′]methyl}-5-chloroquinolin-8-olato-2κN;1:2κ2 O)trichlorido-1κCl,2κ2 Cl-dizinc(II)","Acta Crystallographica Section E Crystallographic Communications","2024","80","11","1175","1179","10.1107/S2056989024009782","","x-ray","1.54184","CuKα","","0.0285","0.028","","","0.0726","0.0731","","","","","","1.037","","","","has coordinates","296786","2024-12-07","17:12:31",""
"2023294","10.6348","0.0003","11.139","0.0004","11.7989","0.0003","72.392","0.003","64.047","0.003","75.829","0.003","1187.52","0.07","293","","293","","","","","","","","","5","P -1","-P 1","2","","(2-Amino-1-methylbenzimidazole-κ<i>N</i>^3^)aquabis(4-oxopent-2-en-2-olato-κ^2^<i>O</i>,<i>O</i>')nickel(II) ethanol monosolvate","","- C20 H31 N3 Ni O6 -","- C20 H31 N3 Ni O6 -","- C40 H62 N6 Ni2 O12 -","2","1","NY2006","Siddikova, Kyzlarkhan; Sardor, Murodov; Tojiboyev, Akmaljon; Kadirova, Zukhra; Ashurov, Jamshid; Daminova, Shahlo","Synthesis, crystal structure and Hirshfeld surface analysis of (2-amino-1-methylbenzimidazole-κN 3)aquabis(4-oxopent-2-en-2-olato-κ2 O,O′)nickel(II) ethanol monosolvate","Acta Crystallographica Section E Crystallographic Communications","2024","80","11","1186","1189","10.1107/S2056989024008958","","x-ray","1.54184","CuKα","","0.0632","0.0479","","","0.1251","0.1393","","","","","","1.076","","","","has coordinates","296776","2024-12-07","17:10:42",""
"2023295","9.3141","0.0003","6.7593","0.0002","15.3574","0.0005","90","","105.163","0.001","90","","933.19","0.05","285","2","285","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6-Cyanonaphthalen-2-yl 4-(benzyloxy)benzoate","","- C25 H17 N O3 -","- C25 H17 N O3 -","- C50 H34 N2 O6 -","2","1","WM5736","Harish Kumar, Mahadevaiah; Santhosh Kumar, Shivakumar; Devarajegowda, Hirehalli Chikkegowda; Srinivasa, Hosapalya Thimmaiah; Palakshamurthy, Bandrehalli Siddagangaiah","Crystal structure, Hirshfeld surface analysis, and DFT and molecular docking studies of 6-cyanonaphthalen-2-yl 4-(benzyloxy)benzoate","Acta Crystallographica Section E Crystallographic Communications","2024","80","11","1180","1185","10.1107/S2056989024009964","","","0.71073","MoKα","","0.0557","0.0486","","","0.1085","0.1119","","","","","","1.113","","","","has coordinates","296782","2024-12-07","17:11:39",""
"2023296","5.2152","0.0002","7.8039","0.0003","10.1294","0.0004","93.3762","0.0012","104.111","0.0011","96.4297","0.0012","395.71","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-Amino-5-iodopyridinium bromide","","- C5 H6 Br I N2 -","- C5 H6 Br I N2 -","- C10 H12 Br2 I2 N4 -","2","1","ZN2039","Mukda, Benjamin A.; Dickie, Diane A.; Turnbull, Mark M.","Salts of 2-amino-5-iodopyridinium","Acta Crystallographica Section E Crystallographic Communications","2024","80","11","1230","1234","10.1107/S2056989024010259","","x-ray","0.71073","MoKα","","0.0129","0.0124","","","0.0287","0.0289","","","","","","1.106","","","","has coordinates","295710","2024-11-01","02:54:46",""
"2023297","9.6998","0.0007","13.5527","0.0008","13.8518","0.0011","90","","107.336","0.003","90","","1738.2","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","2-Amino-5-iodopyridinium (2-amino-5-iodopyridine-κ<i>N</i>^1^)bromido/chlorido(0.51/2.48)cobalt(II)","","- C10 H11 Br0.51 Cl2.48 Co I2 N4 -","- C10 H11 Br0.514 Cl2.486 Co I2 N4 -","- C40 H44 Br2.056 Cl9.944 Co4 I8 N16 -","4","1","ZN2039","Mukda, Benjamin A.; Dickie, Diane A.; Turnbull, Mark M.","Salts of 2-amino-5-iodopyridinium","Acta Crystallographica Section E Crystallographic Communications","2024","80","11","1230","1234","10.1107/S2056989024010259","","x-ray","0.71073","MoKα","","0.064","0.0402","","","0.082","0.0903","","","","","","1.085","","","","has coordinates,has disorder","295710","2024-11-01","02:54:47",""
"2023298","8.3073","0.0007","8.88","0.0006","9.3838","0.0007","90","","102.004","0.007","90","","677.09","0.09","100","0.1","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Iodoethylammonium iodide","","- C2 H7 I2 N -","- C2 H7 I2 N -","- C8 H28 I8 N4 -","4","1","WM5738","Petrosova, Hanna R.; Naumova, Dina D.; Golenya, Irina A.; Buta, Ildiko; Gural'skiy, Il'ya A.","Crystal structure and Hirshfeld surface analysis of the salt 2-iodoethylammonium iodide – a possible side product upon synthesis of hybrid perovskites","Acta Crystallographica Section E Crystallographic Communications","2024","80","11","1226","1229","10.1107/S205698902401034X","","","0.71073","MoKα","","0.0537","0.0505","","","0.1528","0.1589","","","","","","1.117","","","","has coordinates","295711","2024-11-01","02:55:12",""
"2023299","10.1898","0.0006","6.7445","0.0004","14.2538","0.0011","90","","110.901","0.002","90","","915.13","0.1","125","2","125","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-{4-[(2-Chlorophenyl)methyl]-3-methyl-6-oxopyridazin-1-yl}-<i>N</i>-phenylacetamide","","- C20 H18 Cl N3 O2 -","- C20 H18 Cl N3 O2 -","- C40 H36 Cl2 N6 O4 -","2","1","VM2308","Assila, Hamza; Zaoui, Younes; Kalonji Mubengayi, Camille; Guerrab, Walid; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef; Ansar, Mhammed","Synthesis, crystal structure and Hirshfeld surface analysis of 2-{4-[(2-chlorophenyl)methyl]-3-methyl-6-oxopyridazin-1-yl}-N-phenylacetamide","Acta Crystallographica Section E Crystallographic Communications","2024","80","11","1221","1225","10.1107/S2056989024010296","","","0.71073","MoKα","","0.0552","0.0493","","","0.1082","0.1109","","","","","","1.087","","","","has coordinates,has disorder","295712","2024-11-01","02:55:30",""
"2023300","18.805","0.0007","12.2925","0.0006","10.8938","0.0005","90","","121.853","0.003","90","","2138.98","0.18","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diaquadiimidazolecobalt(II)]-μ~2~-2,3,5,6-tetrabromobenzene-1,4-dicarboxylato]","","- C14 H12 Br4 Co N4 O6 -","- C14 H12 Br4 Co N4 O6 -","- C56 H48 Br16 Co4 N16 O24 -","4","0.5","JP2013","Kumagai, Hitoshi; Kawata, Satoshi; Ogihara, Nobuhiro","Crystal structure of catena-poly[[diaquadiimidazolecobalt(II)]-μ2-2,3,5,6-tetrabromobenzene-1,4-dicarboxylato]","Acta Crystallographica Section E Crystallographic Communications","2024","80","11","1217","1220","10.1107/S2056989024009915","","","0.71075","MoKα","","0.0295","0.0275","","","0.0653","0.0665","","","","","","1.065","","","","has coordinates","295714","2024-11-01","02:55:48",""
"2023301","12.8146","0.0004","10.1523","0.0004","27.5618","0.001","90","","90","","90","","3585.7","0.2","200","0.1","200","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis{5-(4-chlorophenyl)-3-[6-(1<i>H</i>-pyrazol-1-yl)pyridin-2-yl]-1<i>H</i>-1,2,4-triazol-1-ido}nickel(II) methanol disolvate","","- C34 H28 Cl2 N12 Ni O2 -","- C34 H28 Cl2 N12 Ni O2 -","- C136 H112 Cl8 N48 Ni4 O8 -","4","0.5","TX2090","Znovjyak, Kateryna; Shova, Sergiu; Panov, Dmitriy M.; Kariaka, Nataliia S.; Fritsky, Igor O.; Malinkin, Sergey O.; Seredyuk, Maksym","Crystal structure of bis{5-(4-chlorophenyl)-3-[6-(1H-pyrazol-1-yl)pyridin-2-yl]-1H-1,2,4-triazol-1-ido}nickel(II) methanol disolvate","Acta Crystallographica Section E Crystallographic Communications","2024","80","11","1235","1239","10.1107/S2056989024010338","","x-ray","0.71073","MoKα","","0.0607","0.0417","","","0.0802","0.087","","","","","","1.053","","","","has coordinates","295715","2024-11-01","02:56:05",""
"2023302","11.0204","0.0004","16.1387","0.0006","16.2772","0.0006","90","","90","","90","","2894.98","0.18","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,3,5-Tris[(1<i>H</i>-benzotriazol-1-yl)methyl]-2,4,6-triethylbenzene","","- C33 H33 N9 -","- C33 H33 N9 -","- C132 H132 N36 -","4","1","JP2011","Koch, Niklas; Förster, Sebastian; Mazik, Monika","Synthesis and crystal structure of 1,3,5-tris[(1H-benzotriazol-1-yl)methyl]-2,4,6-triethylbenzene","Acta Crystallographica Section E Crystallographic Communications","2024","80","11","1240","1243","10.1107/S2056989024009988","","","0.71073","MoKα","","0.042","0.0348","","","0.0774","0.0809","","","","","","1.047","","","","has coordinates","295716","2024-11-01","02:56:28",""
"2023303","11.9074","0.0003","14.3289","0.0003","8.7169","0.0002","90","","113.629","0.001","90","","1362.58","0.06","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Pentacadmium tetrakis[oxidotellurate(IV)] dinitrate","","- Cd4 O14 Te5 -","- Cd4 O14 Te5 -","- Cd16 O56 Te20 -","4","0.5","PK2712","Eder, Felix; Weil, Matthias","The cadmium oxidotellurates(IV) Cd5(TeO3)4(NO3)2 and Cd4Te5O14","Acta Crystallographica Section E Crystallographic Communications","2024","80","12","","","10.1107/S2056989024010387","","","0.71073","MoKα","","0.0264","0.0219","","","0.0392","0.0401","","","","","","1.208","","","","has coordinates","295791","2024-11-06","02:58:46",""
"2023304","9.9442","0.0004","5.6173","0.0002","16.6136","0.0007","90","","102.737","0.001","90","","905.19","0.06","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tetracadmium pentaoxidotellurate(IV)","","- Cd5 N2 O18 Te4 -","- Cd5 N2 O18 Te4 -","- Cd10 N4 O36 Te8 -","2","0.5","PK2712","Eder, Felix; Weil, Matthias","The cadmium oxidotellurates(IV) Cd5(TeO3)4(NO3)2 and Cd4Te5O14","Acta Crystallographica Section E Crystallographic Communications","2024","80","12","","","10.1107/S2056989024010387","","","0.71073","MoKα","","0.0497","0.0304","","","0.0552","0.0605","","","","","","0.986","","","","has coordinates","295791","2024-11-06","02:58:47",""
"2023305","11.661","0.002","23.251","0.002","19.602","0.003","90","","122.53","0.01","90","","4480.9","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Pentakis(2-aminopyridinium) nonavanado(V)tellurate(VI)","","- C25 H35 N10 O28 Te V9 -","- C25 H35 N10 O28 Te V9 -","- C100 H140 N40 O112 Te4 V36 -","4","1","HB8109","Mrad, Houda; Maalaoui, Ahlem; Rzaigui, Mohamed; Akriche, Samah","Synthesis and structure of pentakis(2-aminopyridinium) nonavanado(V)tellurate(VI)","Acta Crystallographica Section E Crystallographic Communications","2024","80","12","","","10.1107/S2056989024010533","","x-ray","0.56087","AgKα","","0.1818","0.076","","","0.1718","0.2112","","","","","","1.033","","","","has coordinates,has disorder","295792","2024-11-06","02:59:12",""
"2023306","8.55214","0.00016","26.0026","0.0004","10.3057","0.0002","90","","102.829","0.0019","90","","2234.55","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(benzoylacetonato)(ethanol)dioxidouranium(VI)","","- C22 H24 O7 U -","- C22 H24 O7 U -","- C88 H96 O28 U4 -","4","1","EJ2006","Jabborova, Xolida; Tursinboyeva, Xusnida; Ruzieva, Bakhtigul; Turgunov, Kambarali; Ashurov, Jamshid; Tojiboev, Akmaljon; Daminova, Shahlo","Crystal structure and Hirshfeld surface analysis of bis(benzoylacetonato)(ethanol)dioxidouranium(VI)","Acta Crystallographica Section E Crystallographic Communications","2024","80","12","","","10.1107/S2056989024010417","","x-ray","1.54184","CuKα","","0.0542","0.0409","","","0.1032","0.1146","","","","","","1.052","","","","has coordinates","295793","2024-11-06","02:59:31",""
"2023307","6.394","0.002","19.838","0.002","6.668","0.002","90","","93.18","0.02","90","","844.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C4 H20 Br6 N4 Zn -","- C4 H20 Br6 N4 Zn -","- C8 H40 Br12 N8 Zn2 -","2","0.5","XK5110","Czapla, Zbigniew; Krawczyk, Monika K.; Kinzhybalo, Vasyl","Atypical phase transition, twinning and ferroelastic domain structure in bis(ethylenediammonium) tetrabromozincate(II) bromide, [NH<sub>3</sub>(CH<sub>2</sub>)<sub>2</sub>NH<sub>3</sub>]<sub>2</sub>[ZnBr<sub>4</sub>]Br<sub>2</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","6","738","745","10.1107/S2052520624009740","","","0.71073","MoKα","","0.0247","0.0211","","","0.0538","0.0558","","","","","","0.919","","","","has coordinates,has Fobs","296751","2024-12-07","17:01:48",""
"2023308","6.438","0.003","19.945","0.006","6.726","0.003","90","","93.16","0.03","90","","862.3","0.6","290","2","290","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C4 H20 Br6 N4 Zn -","- C4 H20 Br6 N4 Zn -","- C8 H40 Br12 N8 Zn2 -","2","0.5","XK5110","Czapla, Zbigniew; Krawczyk, Monika K.; Kinzhybalo, Vasyl","Atypical phase transition, twinning and ferroelastic domain structure in bis(ethylenediammonium) tetrabromozincate(II) bromide, [NH<sub>3</sub>(CH<sub>2</sub>)<sub>2</sub>NH<sub>3</sub>]<sub>2</sub>[ZnBr<sub>4</sub>]Br<sub>2</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","6","738","745","10.1107/S2052520624009740","","","0.71073","MoKα","","0.068","0.0421","","","0.0567","0.0638","","","","","","0.997","","","","has coordinates,has Fobs","296751","2024-12-07","17:01:48",""
"2023309","12.047","0.003","17.4","0.005","16.281","0.005","90","","92.306","0.003","90","","3410","1.7","110.15","","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C136 H112 F48 S16 -","8","2","RM5077","Isobe, Mami; Kitagawa, Daichi; Kobatake, Seiya","Morphological control for hollow rod crystals of a photochromic diarylethene on spherulites by surface properties of substrates.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","6","732","737","10.1107/S2052520624009764","","","0.71075","MoKα","","0.057","0.0423","","","0.104","0.1128","","","","","","1.005","","","","has coordinates,has Fobs","296754","2024-12-07","17:02:31",""
"2023310","10.229","0.0009","13.0681","0.001","16.9601","0.0015","90","","98.377","0.003","90","","2242.9","0.3","140","2","140","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis[μ-3,3,3',3'-tetraethyl-1,1'-(furan-2,5-dicarbonyl)bis(thioureato)]dicopper(II) dichloromethane disolvate","","- C34 H48 Cl4 Cu2 N8 O6 S4 -","- C34 H48 Cl4 Cu2 N8 O6 S4 -","- C68 H96 Cl8 Cu4 N16 O12 S8 -","2","0.5","OO2007","Le, Canh Dinh; Nguyen, Hoang Phuc; Pham, Chien Thang","Crystal structure of a solvated dinuclear CuII complex derived from 3,3,3′,3′-tetraethyl-1,1′-(furan-2,5-dicarbonyl)bis(thiourea)","Acta Crystallographica Section E Crystallographic Communications","2024","80","12","","","10.1107/S2056989024010703","","","0.71073","MoKα","","0.0713","0.0376","","","0.0675","0.076","","","","","","1.03","","","","has coordinates,has disorder","295851","2024-11-09","02:46:01",""
"2023311","9.5487","0.0002","17.8992","0.0003","18.0001","0.0003","90","","94.103","0.002","90","","3068.59","0.1","120.15","","120.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","{2,2'-[(1<i>S</i>,2<i>S</i>)-1,2-Diphenylethane-1,2-diylbis(nitrilophenylmethanylylidene)]diphenolato}nickel(II)","","- C40 H30 N2 Ni O2 -","- C40 H30 N2 Ni O2 -","- C160 H120 N8 Ni4 O8 -","4","2","OX2008","Ito, Masataka; Chikaraishi Kasuga, Noriko; Matsuse, Ryo; Hirotsu, Masakazu","Crystal structures and circular dichroism of {2,2′-[(1S,2S)-1,2-diphenylethane-1,2-diylbis(nitrilophenylmethanylylidene)]diphenolato}nickel(II) and its ethanol solvate","Acta Crystallographica Section E Crystallographic Communications","2024","80","12","","","10.1107/S2056989024010508","","x-ray","0.71073","MoKα","","0.0353","0.0326","","","0.0823","0.0835","","","","","","1.062","","","","has coordinates","295852","2024-11-09","02:46:24",""
"2023312","10.583","0.0002","12.411","0.0002","13.9837","0.0002","94.352","0.001","100.599","0.001","90.584","0.001","1799.61","0.05","120.15","","120.15","","","","","","","","","5","P 1","P 1","1","","{2,2'-[(1<i>S</i>,2<i>S</i>)-1,2-Diphenylethane-1,2-diylbis(nitrilophenylmethanylylidene)]diphenolato}nickel(II) ethanol disolvate","","- C44 H42 N2 Ni O4 -","- C44 H42 N2 Ni O4 -","- C88 H84 N4 Ni2 O8 -","2","2","OX2008","Ito, Masataka; Chikaraishi Kasuga, Noriko; Matsuse, Ryo; Hirotsu, Masakazu","Crystal structures and circular dichroism of {2,2′-[(1S,2S)-1,2-diphenylethane-1,2-diylbis(nitrilophenylmethanylylidene)]diphenolato}nickel(II) and its ethanol solvate","Acta Crystallographica Section E Crystallographic Communications","2024","80","12","","","10.1107/S2056989024010508","","x-ray","0.71073","MoKα","","0.0375","0.0349","","","0.0817","0.0834","","","","","","1.027","","","","has coordinates,has disorder","295852","2024-11-09","02:46:25",""
"2023313","4.1538","0.0009","8.9978","0.0016","25.487","0.005","90","","92.468","0.007","90","","951.7","0.3","567","2","567","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ethyl 5-amino-2-bromoisonicotinate","Ethyl 5-amino-2-bromopyridine-4-carboxylate","","- C8 H9 Br N2 O2 -","- C8 H9 Br N2 O2 -","- C32 H36 Br4 N8 O8 -","4","1","OI2013","Mahadevaiah, Harish Kumar; Shivanna, Harishkumar; Hanumaiah, Anil Kumar; Hirehalli Chikkegowda, Devarajegowda; Bandrehalli Siddagangaiah, Palakshamurthy","Crystal structure, Hirshfeld surface analysis, DFT and molecular docking studies of ethyl 5-amino-2-bromoisonicotinate","Acta Crystallographica Section E Crystallographic Communications","2024","80","12","","","10.1107/S2056989024010594","","","0.71073","MoKα","","0.0433","0.0316","","","0.0649","0.0689","","","","","","1.036","","","","has coordinates","295853","2024-11-09","02:46:41",""
"2023314","18.4793","0.0006","10.4036","0.0003","18.5669","0.0007","90","","93.035","0.001","90","","3564.5","0.2","100","0.2","100","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-(4-<i>tert</i>-Butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)oxazole","","- C21 H21 F2 N O2 -","- C21 H21 F2 N O2 -","- C168 H168 F16 N8 O16 -","8","1","NX2015","Mohan Kumar, Thaluru M.; Bhaskar, Besagarahally L.; Priyanka, Prabhakar; Divakara, Thayamma R.; Yathirajan, Hemmige S.; Parkin, Sean","Crystal structure and Hirshfeld-surface analysis of an etoxazole metabolite designated R13","Acta Crystallographica Section E Crystallographic Communications","2024","80","12","","","10.1107/S2056989024010600","","","0.71073","MoKα","","0.0388","0.0325","","","0.0798","0.0849","","","","","","1.069","","","","has coordinates","295854","2024-11-09","02:46:58",""
"2023315","6.2653","0.0006","13.5033","0.0012","14.0112","0.0013","90","","90","","90","","1185.38","0.19","293","","293","","","","","","","","","2","P b c m","-P 2c 2b","57","Aluminium phosphorus chloride","Phosphorus tetrachloride tetrachloridoaluminate","","- Al Cl8 -","- Al Cl8 P -","- Al4 Cl32 P4 -","4","0.5","OI2012","Seo, Hyeonjin; Shin, Seungyong; Hong, Seung-Tae","Crystal structure of AlPCl8","Acta Crystallographica Section E Crystallographic Communications","2024","80","12","","","10.1107/S2056989024010661","","","0.71073","MoKα","","0.093","0.093","","0.0558","0.0558","0.0558","","","","","","1.1645","","","","has coordinates","295855","2024-11-09","02:47:25",""
"2023316","12.7442","0.0006","10.6851","0.0006","14.4027","0.0006","90","","96.645","0.007","90","","1948.08","0.17","296","2","296","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","<i>fac</i>-Bromidotricarbonyl[4-(4-methoxyphenyl)-2-(pyridin-2-yl)thiazole-κ^2^<i>N</i>,<i>N</i>']rhenium(I)","","- C18 H12 Br N2 O4 Re S -","- C18 H12 Br N2 O4 Re S -","- C72 H48 Br4 N8 O16 Re4 S4 -","4","1","JP2014","Matsuda, Yuki; Nakamura, Ryota; Ozawa, Yoshiki; Abe, Masaaki","Crystal structures of two polymorphs for fac-bromidotricarbonyl[4-(4-methoxyphenyl)-2-(pyridin-2-yl)thiazole-κ2 N,N′]rhenium(I)","Acta Crystallographica Section E Crystallographic Communications","2024","80","12","","","10.1107/S2056989024010727","","x-ray","0.71073","MoKα","","0.0455","0.0341","","","0.0747","0.0786","","","","","","1.132","","","","has coordinates","295856","2024-11-09","02:47:53",""
"2023317","13.2169","0.0003","11.2764","0.0002","25.8716","0.0005","90","","90","","90","","3855.88","0.13","296","2","296","2","","","","","","","synthesis as described","7","P n a 21","P 2c -2n","33","","<i>fac</i>-Bromidotricarbonyl[4-(4-methoxyphenyl)-2-(pyridin-2-yl)thiazole-κ^2^<i>N</i>,<i>N</i>']rhenium(I)","","- C18 H12 Br N2 O4 Re S -","- C18 H12 Br N2 O4 Re S -","- C144 H96 Br8 N16 O32 Re8 S8 -","8","2","JP2014","Matsuda, Yuki; Nakamura, Ryota; Ozawa, Yoshiki; Abe, Masaaki","Crystal structures of two polymorphs for fac-bromidotricarbonyl[4-(4-methoxyphenyl)-2-(pyridin-2-yl)thiazole-κ2 N,N′]rhenium(I)","Acta Crystallographica Section E Crystallographic Communications","2024","80","12","","","10.1107/S2056989024010727","","x-ray","0.71073","MoKα","","0.0467","0.0326","","","0.0615","0.0654","","","","","","1.016","","","","has coordinates","295856","2024-11-09","02:47:55",""
"2023318","8.247","0.003","12.0714","0.0016","25.771","0.004","90","","98.572","0.016","90","","2536.9","1.1","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,10-Phenanthrolinium violurate violuric acid pentahydrate","1,10-Phenanthrolinium 6-hydroxy-5-(oxidoimino)-1,3-diazinane-2,4-dione–\ 6-hydroxy-5-(hydroxyimino)-1,3-diazinane-2,4-dione–water (1/1/5)","","- C20 H24 N8 O13 -","- C20 H20 N8 O13 -","- C80 H80 N32 O52 -","4","1","WM5737","Seidel, Rüdiger W.; Kolev, Tsonko M.","Crystal structure of 1,10-phenanthrolinium violurate violuric acid pentahydrate","Acta Crystallographica Section E Crystallographic Communications","2024","80","12","","","10.1107/S205698902401065X","","","0.71073","MoKα","","0.146","0.0666","","","0.1478","0.1873","","","","","","1.011","","","","has coordinates","295930","2024-11-15","02:48:49",""
"2023319","5.0082","0.0009","20.728","0.004","11.1549","0.0014","90","","96.998","0.015","90","","1149.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","<i>N</i>-(4-Methoxyphenyl)picolinamide","<i>N</i>-(4-Methoxyphenyl)pyridine-2-carboxamide","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C52 H48 N8 O8 -","4","1","DX2062","Burieva, Dilnoza; Torambetov, Batirbay; Bobonazarova, Sarvinoz; Abdushukurov, Anvar; Kholikov, Tursinali; Khan, Akram A.; Ashurov, Jamshid; Yusufov, Mukhriddin","Synthesis, crystal structure and Hirshfeld surface analysis of N-(4-methoxyphenyl)picolinamide","Acta Crystallographica Section E Crystallographic Communications","2024","80","12","","","10.1107/S2056989024010843","","x-ray","1.54184","CuKα","","0.1546","0.0609","","","0.105","0.1391","","","","","","1.001","","","","has coordinates","295931","2024-11-15","02:49:22",""
"2023320","13.2412","0.0006","14.3856","0.0006","21.3601","0.0011","108.186","0.003","99.785","0.003","91.272","0.003","3796.9","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","5,5'-(Triaz-1-ene-1,3-diyl)bis(3-nitro-1<i>H</i>-1,2,4-triazole)–triethylammonium nitrate (1/1)","","- C10 H19 N13 O7 -","- C9.9985 H18.996 N12.9997 O7 -","- C79.988 H151.968 N103.998 O56 -","8","4","EJ2009","Gettings, Matthew; Zeller, Matthias; Piercey, Davin","Crystal structure of the 1:1 cocrystal 5,5′-(triaz-1-ene-1,3-diyl)bis(3-nitro-1H-1,2,4-triazole)–triethylammonium nitrate","Acta Crystallographica Section E Crystallographic Communications","2024","80","12","","","10.1107/S205698902401096X","","","0.71073","MoKα","","0.1228","0.0698","","","0.1879","0.2224","","","","","","1.06","","","","has coordinates,has disorder","296083","2024-11-23","03:04:07",""
"2023321","7.7456","0.00014","24.4234","0.0004","13.059","0.0002","90","","101.611","0.0009","90","","2419.87","0.07","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2,7-Diethoxynaphthalene-1,8-diyl)bis[(4-bromophenyl)methanone]","","- C28 H22 Br2 O4 -","- C28 H22 Br2 O4 -","- C112 H88 Br8 O16 -","4","1","JP2015","Li, Kun; Yao, Jiali; Iitsuka, Hiroaki; Yonezawa, Noriyuki; Okamoto, Akiko","Crystal structure and Hirshfeld surface analysis of (2,7-diethoxynaphthalene-1,8-diyl)bis[(4-bromophenyl)methanone]","Acta Crystallographica Section E Crystallographic Communications","2024","80","12","","","10.1107/S205698902401123X","","","1.54187","CuKα","","0.0429","0.0406","","","0.1107","0.113","","","","","","1.02","","","","has coordinates","296084","2024-11-23","03:04:24",""
"2023322","21.8447","0.0013","13.014","0.0008","12.1123","0.0007","90","","92.62","0.001","90","","3439.8","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2-Bis[2-(2,3,4,5-tetrafluorophenyl)ethynyl]benzene","","- C22 H6 F8 -","- C22 H6 F8 -","- C176 H48 F64 -","8","2","JY2054","Bosch, Eric; Bowling, Nathan P.","Intra- and intermolecular C—H...F hydrogen bonds in the crystal structure of 1,2-bis[2-(2,3,4,5-tetrafluorophenyl)ethynyl]benzene","Acta Crystallographica Section E Crystallographic Communications","2024","80","12","","","10.1107/S2056989024010995","","","0.71073","MoKα","","0.0723","0.0395","","","0.093","0.1114","","","","","","1.007","","","","has coordinates","296085","2024-11-23","03:04:46",""
"2023323","10.5425","0.0013","3.8532","0.0005","42.419","0.004","90","","90","","90","","1723.2","0.3","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","2-{4-[(<i>E</i>)-(4-Acetylphenyl)diazenyl]phenyl}-1-(5-bromothiophen-2-yl)ethanone","","- C19 H13 Br N2 O3 S -","- C19 H13 Br N2 O3 S -","- C76 H52 Br4 N8 O12 S4 -","4","1","EE2010","Santhosh Kumar, S.; Srinivasa, H.T; Harish Kumar, M.; Devarajegowda, H. C.; Palakshamurthy, B. S.","Crystal structure, Hirshfeld surface, DFT and molecular docking studies of 2-{4-[(E)-(4-acetylphenyl)diazenyl]phenyl}-1-(5-bromothiophen-2-yl)ethanone; a compound with bromine...oxygen-type contacts","Acta Crystallographica Section E Crystallographic Communications","2024","80","12","","","10.1107/S2056989024010776","","","0.71074","MoKα","","0.0379","0.0373","","","0.0912","0.0914","","","","","","1.234","","","","has coordinates","296086","2024-11-23","03:05:00",""
"2023328","9.5718","0.0006","14.4498","0.0008","20.0041","0.0012","90","","92.874","0.002","90","","2763.3","0.3","303","2","303","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>N</i>-{[3-Bromo-1-(phenylsulfonyl)-1<i>H</i>-indol-2-yl]methyl}-<i>N</i>-(4-bromo-3-methoxyphenyl)benzenesulfonamide","","- C28 H22 Br2 N2 O5 S2 -","- C28 H22 Br2 N2 O5 S2 -","- C112 H88 Br8 N8 O20 S8 -","4","1","NU2007","Madhan, S.; NizamMohideen, M.; Pavunkumar, Vinayagam; MohanaKrishnan, Arasambattu K.","The crystal structures determination and Hirshfeld surface analysis of N-(4-bromo-3-methoxyphenyl)- and N-{[3-bromo-1-(phenylsulfonyl)-1H-indol-2-yl]methyl}- derivatives of N-{[3-bromo-1-(phenylsulfonyl)-1H-indol-2-yl]methyl}benzenesulfonamide","Acta Crystallographica Section E Crystallographic Communications","2024","80","11","1110","1117","10.1107/S2056989024009587","","","0.71073","MoKα","","0.0568","0.0403","","","0.0888","0.0992","","","","","","1.053","","","","has coordinates","296745","2024-12-07","16:43:17",""
"2023329","8.2664","0.0004","34.7886","0.0018","12.5972","0.0006","90","","104.55","0.002","90","","3506.5","0.3","303","2","303","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>-Bis{[3-bromo-1-(phenylsulfonyl)-1<i>H</i>-indol-2-yl]methyl}benzenesulfonamide","","- C36 H27 Br2 N3 O6 S3 -","- C36 H27 Br2 N3 O6 S3 -","- C144 H108 Br8 N12 O24 S12 -","4","1","NU2007","Madhan, S.; NizamMohideen, M.; Pavunkumar, Vinayagam; MohanaKrishnan, Arasambattu K.","The crystal structures determination and Hirshfeld surface analysis of N-(4-bromo-3-methoxyphenyl)- and N-{[3-bromo-1-(phenylsulfonyl)-1H-indol-2-yl]methyl}- derivatives of N-{[3-bromo-1-(phenylsulfonyl)-1H-indol-2-yl]methyl}benzenesulfonamide","Acta Crystallographica Section E Crystallographic Communications","2024","80","11","1110","1117","10.1107/S2056989024009587","","","0.71073","MoKα","","0.0621","0.0478","","","0.1133","0.1199","","","","","","1.118","","","","has coordinates","296745","2024-12-07","16:43:18",""
"2300727","8.226","0.003","13.408","0.004","12.222","0.004","90","","90","","90","","1348","0.8","100.01","0.1","100.01","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H10 Br2 O -","- C16 H10 Br2 O -","- C64 H40 Br8 O4 -","4","1","","Dyk, Konrad; Kinzhybalo, Vasyl; Horak, Yuriy; Butenko, Serhii; Siczek, Miłosz; Kamiński, Daniel M.","Bending the bonds: unveiling halogen interactions in the elastic polymorph of 2,5-bis(3-bromophenyl)furan","Journal of Applied Crystallography","2024","57","1","","","10.1107/S1600576723010609","","x-ray","0.71073","MoKα","","0.0284","0.0218","","","0.0389","0.0409","","","","","","1.046","","","","has coordinates,has Fobs","289170","2024-01-20","02:46:04",""
"2300728","6.217","0.003","30.11","0.008","7.18","0.003","90","","90","","90","","1344.1","0.9","99.9","0.4","99.9","0.4","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C16 H10 Br2 O -","- C16 H10 Br2 O -","- C64 H40 Br8 O4 -","4","0.5","","Dyk, Konrad; Kinzhybalo, Vasyl; Horak, Yuriy; Butenko, Serhii; Siczek, Miłosz; Kamiński, Daniel M.","Bending the bonds: unveiling halogen interactions in the elastic polymorph of 2,5-bis(3-bromophenyl)furan","Journal of Applied Crystallography","2024","57","1","","","10.1107/S1600576723010609","","x-ray","0.71073","MoKα","","0.0477","0.0355","","","0.088","0.0941","","","","","","1.19","","","","has coordinates,has Fobs","289170","2024-01-20","02:46:14",""
"2300729","3.9774","0.0001","10.7746","0.0002","31.2387","0.0005","90","","90","","90","","1338.73","0.05","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","MBFP","2,5-bis(3-bromophenyl)furan","","- C16 H10 Br2 O -","- C16 H10 Br2 O -","- C64 H40 Br8 O4 -","4","1","","Dyk, Konrad; Kinzhybalo, Vasyl; Horak, Yuriy; Butenko, Serhii; Siczek, Miłosz; Kamiński, Daniel M.","Bending the bonds: unveiling halogen interactions in the elastic polymorph of 2,5-bis(3-bromophenyl)furan","Journal of Applied Crystallography","2024","57","1","","","10.1107/S1600576723010609","","x-ray","1.54184","CuKα","","0.0315","0.0305","","","0.0811","0.0815","","","","","","1.096","","","","has coordinates,has Fobs","289170","2024-01-20","02:46:17",""
"2300730","15.0815","0.0004","24.6147","0.0006","5.0146","0.0001","90","","90","","90","","1861.55","0.08","120.15","","120.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H11 F2 N3 O -","- C8 H11 F2 N3 O -","- C64 H88 F16 N24 O8 -","8","2","","Kleemiss, Florian; Peyerimhoff, Norbert; Bodensteiner, Michael","Refinement of X-ray and electron diffraction crystal structures using analytical Fourier transforms of Slater-type atomic wavefunctions in <i>Olex2</i>.","Journal of applied crystallography","2024","57","Pt 1","161","174","10.1107/S1600576723010981","","","0.71073","MoKα","","0.0541","0.0396","","","0.0951","0.1019","","","","","","0.9488","","","","has coordinates","290340","2024-03-05","20:46:24",""
"2300731","7.9999","0.0002","9.3718","0.0003","14.7362","0.0005","82.625","0.001","81.527","0.001","81.726","0.001","1074.89","0.06","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H16 Co F6 N4 O4 S2 -","- C16 H16 Co F6 N4 O4 S2 -","- C32 H32 Co2 F12 N8 O8 S4 -","2","1","","Kleemiss, Florian; Peyerimhoff, Norbert; Bodensteiner, Michael","Refinement of X-ray and electron diffraction crystal structures using analytical Fourier transforms of Slater-type atomic wavefunctions in <i>Olex2</i>.","Journal of applied crystallography","2024","57","Pt 1","161","174","10.1107/S1600576723010981","","","0.71073","MoKα","","0.0407","0.0309","","","0.0766","0.0818","","","","","","1.0443","","","","has coordinates","290340","2024-03-05","20:46:24",""
"2300732","9.1718","0.0004","9.5882","0.0003","10.5502","0.0004","90","","90","","90","","927.8","0.06","120.02","0.1","120.02","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H12 Ca O10 -","- C4 H12 Ca O10 -","- C16 H48 Ca4 O40 -","4","1","","Kleemiss, Florian; Peyerimhoff, Norbert; Bodensteiner, Michael","Refinement of X-ray and electron diffraction crystal structures using analytical Fourier transforms of Slater-type atomic wavefunctions in <i>Olex2</i>.","Journal of applied crystallography","2024","57","Pt 1","161","174","10.1107/S1600576723010981","","x-ray","0.71073","MoKα","","0.0359","0.0318","","","0.0649","0.0674","","","","","","0.991","","","","has coordinates","290340","2024-03-05","20:46:24",""
"2300733","10.8918","0.0001","13.7619","0.0001","17.0714","0.0002","90","","98.563","0.001","90","","2530.34","0.04","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 Os P2 -","- C24 H44 Os P2 -","- C96 H176 Os4 P8 -","4","1","","Kleemiss, Florian; Peyerimhoff, Norbert; Bodensteiner, Michael","Refinement of X-ray and electron diffraction crystal structures using analytical Fourier transforms of Slater-type atomic wavefunctions in <i>Olex2</i>.","Journal of applied crystallography","2024","57","Pt 1","161","174","10.1107/S1600576723010981","","","0.71073","MoKα","","0.0298","0.0212","","","0.0352","0.0371","","","","","","1.0338","","","","has coordinates","290340","2024-03-05","20:46:24",""
"2300734","9.78216","0.00015","2.97127","0.00004","4.51938","0.00011","90","","90","","90","","131.358","0.004","303","","303","","","","101","","","","Hydrothermal synthesis","3","P n m a","-P 2ac 2n","62","Gallium oxyhydroxide","","","- Ga H O2 -","- Ga H O2 -","- Ga4 H4 O8 -","4","0.5","","Ding, Ning; Shi, Honglong; Zhang, Zeqian; Luo, Minting; Hu, Zhenfei","Dehydroxylation and structural transition in α-GaOOH investigated by in situ X-ray diffraction","Journal of Applied Crystallography","2024","57","2","","","10.1107/S1600576724000050","powder diffraction","x-ray","1.5406","CuKα~1,2~","","","","","","0.07939","","0.04628","","3.209","","","","","","","has coordinates","289800","2024-02-13","03:08:30",""
"2300735","4.99945","0.0002","4.99945","","13.50095","0.00028","90","","90","","120","","292.24","0.013","773","","773","","","","101","","","","Heat treatment of GaOOH","2","R -3 c :H","-R 3 2""c","167","Gallium oxide","","","- Ga2 O3 -","- Ga2 O3 -","- Ga12 O18 -","6","0.166667","","Ding, Ning; Shi, Honglong; Zhang, Zeqian; Luo, Minting; Hu, Zhenfei","Dehydroxylation and structural transition in α-GaOOH investigated by in situ X-ray diffraction","Journal of Applied Crystallography","2024","57","2","","","10.1107/S1600576724000050","powder diffraction","x-ray","1.5406","CuKα~1,2~","","","","","","0.06843","","0.06553","","2.616","","","","","","","has coordinates","289800","2024-02-13","03:08:31",""
"2300736","4.4329","0.0012","11.246","0.003","4.1735","0.0011","90","","90","","90","","208.06","0.1","296","2","296","2","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ga Nd -","- Ga Nd -","- Ga4 Nd4 -","4","0.25","NB5371","Shtender, Vitalii; Cedervall, Johan; Ek, Gustav; Zlotea, Claudia; Andersson, Mikael S.; Manuel, Pascal; Sahlberg, Martin; Häussermann, Ulrich","Revisiting the hydrogenation behavior of NdGa and its hydride phases.","Journal of applied crystallography","2024","57","Pt 2","248","257","10.1107/S1600576724000554","","","0.71073","MoKα","","0.0225","0.0147","","","0.0193","0.0201","","","","","","1.107","","","","has coordinates,has Fobs","291734","2024-05-06","04:23:52",""
"2300737","4.1855","0.0006","11.9137","0.0015","4.1857","0.0006","90","","90","","90","","208.72","0.05","296","2","296","2","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ga Nd -","- Ga Nd -","- Ga4 Nd4 -","4","0.25","NB5371","Shtender, Vitalii; Cedervall, Johan; Ek, Gustav; Zlotea, Claudia; Andersson, Mikael S.; Manuel, Pascal; Sahlberg, Martin; Häussermann, Ulrich","Revisiting the hydrogenation behavior of NdGa and its hydride phases.","Journal of applied crystallography","2024","57","Pt 2","248","257","10.1107/S1600576724000554","","","0.71073","MoKα","","0.0107","0.0105","","","0.0256","0.0257","","","","","","1.293","","","","has coordinates,has Fobs","291734","2024-05-06","04:23:53",""
"2300738","4.16","0.0003","12.0374","0.0009","4.1825","0.0003","90","","90","","90","","209.44","0.03","296","2","296","2","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ga Nd -","- Ga Nd -","- Ga4 Nd4 -","4","0.25","NB5371","Shtender, Vitalii; Cedervall, Johan; Ek, Gustav; Zlotea, Claudia; Andersson, Mikael S.; Manuel, Pascal; Sahlberg, Martin; Häussermann, Ulrich","Revisiting the hydrogenation behavior of NdGa and its hydride phases.","Journal of applied crystallography","2024","57","Pt 2","248","257","10.1107/S1600576724000554","","","0.71073","MoKα","","0.0179","0.0156","","","0.0308","0.0317","","","","","","1.251","","","","has coordinates,has Fobs","291734","2024-05-06","04:23:53",""
"2300739","12.338","0.0006","12.271","0.0009","4.1691","0.0002","90","","90","","90","","631.2","0.06","296","2","296","2","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ga Nd -","- Ga Nd -","- Ga12 Nd12 -","12","0.75","NB5371","Shtender, Vitalii; Cedervall, Johan; Ek, Gustav; Zlotea, Claudia; Andersson, Mikael S.; Manuel, Pascal; Sahlberg, Martin; Häussermann, Ulrich","Revisiting the hydrogenation behavior of NdGa and its hydride phases.","Journal of applied crystallography","2024","57","Pt 2","248","257","10.1107/S1600576724000554","","","0.71073","MoKα","","0.047","0.0276","","","0.051","0.0567","","","","","","1.063","","","","has coordinates,has Fobs","291734","2024-05-06","04:23:53",""
"2300740","12.332","0.002","12.264","0.002","4.1782","0.0007","90","","90","","90","","631.91","0.18","296","2","296","2","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ga3 Nd3 -","- Ga3 Nd3 -","- Ga12 Nd12 -","4","0.25","NB5371","Shtender, Vitalii; Cedervall, Johan; Ek, Gustav; Zlotea, Claudia; Andersson, Mikael S.; Manuel, Pascal; Sahlberg, Martin; Häussermann, Ulrich","Revisiting the hydrogenation behavior of NdGa and its hydride phases.","Journal of applied crystallography","2024","57","Pt 2","248","257","10.1107/S1600576724000554","","","0.71073","MoKα","","0.0376","0.0295","","","0.0651","0.0683","","","","","","1.08","","","","has coordinates,has Fobs","291734","2024-05-06","04:23:53",""
"2300741","7.5371","0.0002","16.1777","0.0005","8.7793","0.0003","90","","90","","90","","1070.49","0.06","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C4 Ca3 K2 O12 -","- C3.999 Ca3 K2 O11.999 -","- C15.996 Ca12 K8 O47.996 -","4","0.5","","Rashchenko, Sergey V.; Ignatov, Mark A.; Shatskiy, Anton F.; Arefiev, Anton V.; Litasov, Konstantin D.","Coupling between cation and anion disorder in β-K2Ca3(CO3)4","Journal of Applied Crystallography","2024","57","3","","","10.1107/S1600576724002292","","x-ray","0.71073","MoKα","","0.0761","0.0522","","","0.1077","0.1108","","","","1.5135","1.5135","1.2187","","","","has coordinates","291386","2024-04-27","02:00:32",""
"2300742","7.5404","0.0003","16.0962","0.0006","8.7321","0.0003","90","","90","","90","","1059.83","0.07","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 Ca2.818824 K2 Mg0.181176 O12 -","- C4.001 Ca2.82 K2 Mg0.18 O12.005 -","- C16.004 Ca11.28 K8 Mg0.72 O48.02 -","4","0.5","","Rashchenko, Sergey V.; Ignatov, Mark A.; Shatskiy, Anton F.; Arefiev, Anton V.; Litasov, Konstantin D.","Coupling between cation and anion disorder in β-K2Ca3(CO3)4","Journal of Applied Crystallography","2024","57","3","","","10.1107/S1600576724002292","","x-ray","0.71073","MoKα","","0.0722","0.0528","","","0.1307","0.14","","","","1.1252","1.1252","0.9603","","","","has coordinates","291386","2024-04-27","02:00:33",""
"2300743","7.777666","0.000014","5.518537","0.000014","5.527827","0.000017","90","","90","","90","","237.262","0.001","300","","300","","","","100","","","","","4","P n a 21","P 2c -2n","33","Perovskite","Lead Calcium Titanate","","- Ca0.45 O3 Pb0.55 Ti -","- Ca0.45 O3 Pb0.55 Ti -","- Ca1.8 O12 Pb2.2 Ti4 -","4","1","","Estrada, Flávia Regina; Moreno-Gobbi, Ariel; Damjanovic, Dragan; Garcia, Ducinei","Polar orientation and extension in a novel crystallographic model for PbTiO3-based perovskites explaining the experimental ferroelectric thermal anomalies","Journal of Applied Crystallography","2024","57","3","808","817","10.1107/S1600576724003686","powder diffraction","x-ray","1.03211","","","","","","","0.05438","","0.09423","","0.875","","","","","","","has coordinates","292161","2024-06-01","02:20:07",""
"2300744","3.867","","3.867","","13.689","","90","","90","","90","","204.701","","300","","300","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- C Bi2 O5 -","- C Bi2 O5 -","- C2 Bi4 O10 -","2","0.0625","","Nomine, A. V.; Ghanbaja, J.; Redjaimia, A.; Belmonte, T.","Structural characteristics of Bi2O2CO3 nanosheets synthesized by nano-pulsed discharges in water","Journal of Applied Crystallography","2024","57","5","1456","1465","10.1107/S1600576724007672","","","","","","","","","","","","","","","","","","","","","has coordinates","296790","2024-12-07","17:13:13",""
"2312365","7.734","0.0008","19.01","0.002","10.6154","0.0011","90","","96.106","0.002","90","","1551.9","0.3","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(acetato-κ^2^<i>O</i>,<i>O</i>')(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')dioxidouranium(VI)","","- C14 H14 N2 O6 U -","- C14 H14 N2 O6 U -","- C56 H56 N8 O24 U4 -","4","1","EQ3014","Whittington, Abigail A.; Keimowitz, Alison R.; Tanski, Joseph M.","Crystal structures of three uranyl-acetate-bipyridine complexes crystallized from hydraulic fracking fluid.","Acta crystallographica. Section C, Structural chemistry","2024","80","1","","","10.1107/S2053229623010288","","x-ray","0.71073","MoKα","","0.0193","0.0157","","","0.0337","0.0346","","","","","","1.077","","","","has coordinates,has Fobs","288111","2023-12-07","02:52:36",""
"2312366","13.809","0.0013","12.6324","0.0012","23.699","0.002","90","","103.412","0.001","90","","4021.3","0.6","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[bis(2,3'-bipyridinium) [di-μ-acetato-μ~3~-hydroxido-μ-hydroxido-di-μ~3~-oxido-hexaoxidotriuranium(VI)]–2,3'-bipyridine–water (1/1/1)]","","- C34 H36 N6 O15 U3 -","- C34 H36 N6 O15 U3 -","- C136 H144 N24 O60 U12 -","4","1","EQ3014","Whittington, Abigail A.; Keimowitz, Alison R.; Tanski, Joseph M.","Crystal structures of three uranyl-acetate-bipyridine complexes crystallized from hydraulic fracking fluid.","Acta crystallographica. Section C, Structural chemistry","2024","80","1","","","10.1107/S2053229623010288","","x-ray","0.71073","MoKα","","0.0659","0.0347","","","0.0592","0.0679","","","","","","1.003","","","","has coordinates,has Fobs","288111","2023-12-07","02:52:37",""
"2312367","8.006","0.003","8.786","0.003","8.833","0.003","78.274","0.005","84.648","0.005","74.814","0.005","586.6","0.4","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","Bis(acetato-κ^2^<i>O</i>,<i>O</i>')(2,4'-bipyridine-\ κ<i>N</i>^1'^)dioxidouranium(VI)","","- C24 H22 N4 O6 U -","- C24 H22 N4 O6 U -","- C24 H22 N4 O6 U -","1","0.5","EQ3014","Whittington, Abigail A.; Keimowitz, Alison R.; Tanski, Joseph M.","Crystal structures of three uranyl-acetate-bipyridine complexes crystallized from hydraulic fracking fluid.","Acta crystallographica. Section C, Structural chemistry","2024","80","1","","","10.1107/S2053229623010288","","x-ray","0.71073","MoKα","","0.0266","0.0266","","","0.0613","0.0613","","","","","","1.082","","","","has coordinates,has Fobs","288111","2023-12-07","02:52:37",""
"2312368","11.1017","0.0007","12.5717","0.0007","13.5023","0.0008","90","","107.056","0.006","90","","1801.6","0.19","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","felodipine","(rac)-3-ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4- dihydropyridine-3,5-dicarboxylate","","- C18 H19 Cl2 N O4 -","- C18 H19 Cl2 N O4 -","- C72 H76 Cl8 N4 O16 -","4","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Hall, Michael J.; Probert, Michael R.","High-throughput nanoscale crystallization of dihydropyridine active pharmaceutical ingredients.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","1","4","12","10.1107/S2052520623010053","","x-ray","1.54184","CuKα","","0.066","0.0561","","","0.1525","0.1599","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","289678","2024-02-05","12:04:34",""
"2312369","10.6713","0.0003","10.3971","0.0003","14.7824","0.0003","90","","94.545","0.002","90","","1634.96","0.07","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Nifedipine","dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C68 H72 N8 O24 -","4","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Hall, Michael J.; Probert, Michael R.","High-throughput nanoscale crystallization of dihydropyridine active pharmaceutical ingredients.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","1","4","12","10.1107/S2052520623010053","","x-ray","1.54184","CuKα","","0.0459","0.0409","","","0.1146","0.1191","","","","","","1.063","","","","has coordinates,has Fobs","289678","2024-02-05","12:04:35",""
"2312370","14.0927","0.0005","9.2253","0.0004","14.5139","0.0005","90","","97.164","0.003","90","","1872.21","0.12","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","nifedipine 1,4-dioxane solvate","dimethyl 2,6-dimethyl-4-(2-nitrophenyl) -1,4-dihydropyridine-3,5-dicarboxylate 1,4-dioxane","","- C19 H22 N2 O7 -","- C19 H22 N2 O7 -","- C76 H88 N8 O28 -","4","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Hall, Michael J.; Probert, Michael R.","High-throughput nanoscale crystallization of dihydropyridine active pharmaceutical ingredients.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","1","4","12","10.1107/S2052520623010053","","x-ray","1.54184","CuKα","","0.0421","0.0352","","","0.0904","0.0946","","","","","","1.054","","","","has coordinates,has Fobs","289678","2024-02-05","12:04:35",""
"2312371","10.7862","0.0001","15.632","0.0001","11.9241","0.0001","90","","102.528","0.001","90","","1962.65","0.03","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","nisoldipine","(rac)-3-isobutyl 5-methyl 2,6-dimethyl-4-(2-nitrophenyl) -1,4-dihydropyridine-3,5-dicarboxylate","","- C20 H24 N2 O6 -","- C20 H24 N2 O6 -","- C80 H96 N8 O24 -","4","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Hall, Michael J.; Probert, Michael R.","High-throughput nanoscale crystallization of dihydropyridine active pharmaceutical ingredients.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","1","4","12","10.1107/S2052520623010053","","x-ray","1.0402","Synchrotron","","0.0464","0.0451","","","0.1248","0.1258","","","","","","1.045","","","","has coordinates,has Fobs","289678","2024-02-05","12:04:35",""
"2312372","8.8143","0.0005","15.3632","0.0008","12.9602","0.0007","90","","93.615","0.002","90","","1751.52","0.16","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","nitrendipine","(rac)-3-ethyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl) -1,4-dihydropyridine-3,5-dicarboxylate","","- C18 H20 N2 O6 -","- C18 H20 N2 O6 -","- C72 H80 N8 O24 -","4","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Hall, Michael J.; Probert, Michael R.","High-throughput nanoscale crystallization of dihydropyridine active pharmaceutical ingredients.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","1","4","12","10.1107/S2052520623010053","","x-ray","1.54178","CuKα","","0.0611","0.0569","","","0.1517","0.1557","","","","","","1.052","","","","has coordinates,has Fobs","289678","2024-02-05","12:04:35",""
"2312373","15.0989","0.0017","59.567","0.007","10.954","0.0012","90","","90","","90","","9852","1.9","100","","100","","","","","","","","","4","F d d 2","F 2 -2d","43","cilnidipine","(rac)-3-cinnamyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl) -1,4-dihydropyridine-3,5-dicarboxylate","","- C27 H28 N2 O7 -","- C27 H28 N2 O7 -","- C432 H448 N32 O112 -","16","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Hall, Michael J.; Probert, Michael R.","High-throughput nanoscale crystallization of dihydropyridine active pharmaceutical ingredients.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","1","4","12","10.1107/S2052520623010053","","x-ray","0.6889","Synchrotron","","0.0458","0.0398","","","0.0915","0.0936","","","","","","0.986","","","","has coordinates,has Fobs","289678","2024-02-05","12:04:35",""
"2312374","13.8103","0.0002","10.7631","0.0002","14.8187","0.0003","90","","104.604","0.002","90","","2131.51","0.07","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","nimodipine","(rac)-3-isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl) -1,4-dihydropyridine-3,5-dicarboxylate","","- C21 H26 N2 O7 -","- C21 H26 N2 O7 -","- C84 H104 N8 O28 -","4","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Hall, Michael J.; Probert, Michael R.","High-throughput nanoscale crystallization of dihydropyridine active pharmaceutical ingredients.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","1","4","12","10.1107/S2052520623010053","","x-ray","1.54184","CuKα","","0.0496","0.0416","","","0.1129","0.1191","","","","","","1.051","","","","has coordinates,has Fobs","289678","2024-02-05","12:04:35",""
"2312375","9.505","0.0008","11.865","0.001","12.7533","0.001","63.606","0.002","77.493","0.002","89.029","0.002","1252.59","0.18","150.01","","150.01","","","","","","","","","5","P -1","-P 1","2","nimodipine DMSO","(rac)-3-isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)- 1,4-dihydropyridine-3,5-dicarboxylate","","- C23 H32 N2 O8 S -","- C23 H32 N2 O8 S -","- C46 H64 N4 O16 S2 -","2","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Hall, Michael J.; Probert, Michael R.","High-throughput nanoscale crystallization of dihydropyridine active pharmaceutical ingredients.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","1","4","12","10.1107/S2052520623010053","","x-ray","1.54178","CuKα","","0.0517","0.0499","","","0.1303","0.1317","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","289678","2024-02-05","12:04:35",""
"2312376","4.7332","0.0003","14.6353","0.001","12.5289","0.0008","90","","94.037","0.005","90","","865.75","0.1","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C40 H32 N8 O8 -","4","1","XK5104","Shishkina, Svitlana V.; Shaposhnyk, Anna M.; Konovalova, Irina S.; Dyakonenko, Victoriya V.; Vaksler, Yevhenii O.","Concomitant polymorphs of 2-imino-2H-chromene-3-carboxylic acid amide: experimental and quantum chemical study.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","1","","","10.1107/S2052520623010193","","","0.71073","MoKα","","0.0618","0.0495","","","0.1397","0.1556","","","","","","1.04","","","","has coordinates,has Fobs","289050","2024-01-12","02:37:58",""
"2312377","7.0199","0.0012","7.072","0.0013","9.6216","0.0012","91.482","0.012","98.773","0.014","109.115","0.016","444.57","0.13","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C20 H16 N4 O4 -","2","1","","Shishkina, Svitlana V.; Shaposhnyk, Anna M.; Konovalova, Irina S.; Dyakonenko, Victoriya V.; Vaksler, Yevhenii O.","Concomitant polymorphs of 2-imino-2H-chromene-3-carboxylic acid amide: experimental and quantum chemical study.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","1","","","10.1107/S2052520623010193","","","0.71073","MoKα","","0.1608","0.086","","","0.2055","0.2733","","","","","","0.964","","","","has coordinates,has Fobs","289050","2024-01-12","02:37:59",""
"2312378","3.82699","0.00009","35.3044","0.0007","5.73042","0.00013","90","","90.336","0.002","90","","774.22","0.03","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 O6 -","- C20 H14 O6 -","- C40 H28 O12 -","2","0.5","AW5081","Naifert, Sergei A.; Osipov, Artem A.; Efremov, Andrey N.; Rajakumar, Kanthapazham; Uchaev, Daniil A.; Zherebtsov, Dmitry A.; Belov, Kirill N.","1D and 2D coordination polymers with a new rigid chelating linker: diacetylenedisalicylic acid.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","1","","","10.1107/S205252062301017X","","x-ray","1.54184","CuKα","","0.0426","0.0402","","","0.1163","0.1193","","","","","","1.044","","","","has coordinates,has Fobs","289051","2024-01-12","02:39:16",""
"2312379","11.5705","0.0002","12.5736","0.0002","13.5708","0.0002","90","","91.271","0.001","90","","1973.83","0.05","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N O6 -","- C20 H17 N O6 -","- C80 H68 N4 O24 -","4","1","","Naifert, Sergei A.; Osipov, Artem A.; Efremov, Andrey N.; Rajakumar, Kanthapazham; Uchaev, Daniil A.; Zherebtsov, Dmitry A.; Belov, Kirill N.","1D and 2D coordination polymers with a new rigid chelating linker: diacetylenedisalicylic acid.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","1","","","10.1107/S205252062301017X","","x-ray","1.54184","CuKα","","0.0478","0.044","","","0.1248","0.1279","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","289051","2024-01-12","02:39:16",""
"2312380","9.0522","0.0004","10.7406","0.0004","15.0867","0.0005","71.631","0.003","76.965","0.004","68.737","0.004","1287.01","0.09","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C51 H53 N5 Na2 O17 -","- C51 H53 N5 Na2 O17 -","- C51 H53 N5 Na2 O17 -","1","0.5","","Naifert, Sergei A.; Osipov, Artem A.; Efremov, Andrey N.; Rajakumar, Kanthapazham; Uchaev, Daniil A.; Zherebtsov, Dmitry A.; Belov, Kirill N.","1D and 2D coordination polymers with a new rigid chelating linker: diacetylenedisalicylic acid.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","1","","","10.1107/S205252062301017X","","x-ray","1.54184","CuKα","","0.0695","0.064","","","0.1964","0.2022","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","289051","2024-01-12","02:39:17",""
"2312381","5.1788","0.0004","7.8386","0.0004","5.1624","0.0004","90","","116.276","0.01","90","","187.91","0.03","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al F H2 O2 -","- Al F H2 O2 -","- Al4 F4 H8 O8 -","4","1","","Zubkova, Natalia V.; Pekov, Igor V.; Ksenofontov, Dmitry A.; Pushcharovsky, Dmitry Yu","Zharchikhite, AlF(OH)<sub>2</sub>: a novel structure type related to α-PbO<sub>2</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","1","","","10.1107/S2052520623010491","","","0.71073","MoKα","","0.0253","0.0246","","","0.0629","0.0634","","","","","","1.19","","","","has coordinates,has Fobs","289052","2024-01-12","02:39:54",""
"2312382","8.3305","0.0007","8.8175","0.0005","11.501","0.0008","83.096","0.006","72.285","0.007","66.328","0.007","737.02","0.1","100","0.2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 Cu N10 O6 -","- C30 H32 Cu N10 O6 -","- C30 H32 Cu N10 O6 -","1","0.5","","Le Garff, Paul; Maria Losus, Renny; Chaudhary, Simran; Dobrzańska, Liliana","Tailoring the dimensionality of metal complexes via ligand modifications.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","1","","","10.1107/S2052520623010260","","","1.54184","CuKα","","0.0736","0.0578","","","0.1499","0.1637","","","","","","1.026","","","","has coordinates,has Fobs","289053","2024-01-12","02:40:33",""
"2312383","14.5524","0.0003","18.5525","0.0004","8.1383","0.0001","90","","90.245","0.002","90","","2197.19","0.07","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C38 H48 Cu2 N14 O13 -","- C38 H48 Cu2 N14 O13 -","- C76 H96 Cu4 N28 O26 -","2","0.25","","Le Garff, Paul; Maria Losus, Renny; Chaudhary, Simran; Dobrzańska, Liliana","Tailoring the dimensionality of metal complexes via ligand modifications.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","1","","","10.1107/S2052520623010260","","","1.54184","CuKα","","0.0395","0.0363","","","0.0982","0.1012","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","289053","2024-01-12","02:40:33",""
"2312384","7.6782","0.0001","12.1895","0.0001","12.7801","0.0001","68.886","0.001","89.049","0.001","79.749","0.001","1096.55","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H48 Cu2 N12 O12 -","- C38 H48 Cu2 N12 O12 -","- C38 H48 Cu2 N12 O12 -","1","0.5","","Le Garff, Paul; Maria Losus, Renny; Chaudhary, Simran; Dobrzańska, Liliana","Tailoring the dimensionality of metal complexes via ligand modifications.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","1","","","10.1107/S2052520623010260","","","1.54184","CuKα","","0.0314","0.0304","","","0.0775","0.0781","","","","","","1.031","","","","has coordinates,has Fobs","289053","2024-01-12","02:40:33",""
"2312385","5.2027","0.0002","8.9738","0.0003","12.3715","0.0004","78.249","0.001","83.171","0.001","76.338","0.001","547.97","0.03","100","2","100","2","","","","","","","","4","P 1","P 1","1","","α-<i>D</i>-2'-Deoxyadenosine","","- C10 H13 N5 O3 -","- C10 H13 N5 O3 -","- C20 H26 N10 O6 -","2","2","OV3171","Leonard, Peter; Zhang, Aigui; Budow-Busse, Simone; Daniliuc, Constantin; Seela, Frank","α-D-2'-Deoxyadenosine, an irradiation product of canonical DNA and a component of anomeric nucleic acids: crystal structure, packing and Hirshfeld surface analysis.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 2","21","29","10.1107/S2053229624000457","","x-ray","1.54178","CuKα","","0.0282","0.027","","","0.064","0.0649","","","","","","1.075","","","","has coordinates,has Fobs","290322","2024-03-05","20:41:27",""
"2312393","12.5755","0.0003","12.6649","0.0003","14.4336","0.0002","68.909","0.002","82.733","0.002","75.557","0.002","2075.3","0.08","199.99","0.1","200.15","","","","","","","","","7","P -1","-P 1","2","Vandetanib–bumetanide–acetonitrile (1/1/1)","4-({4-[(4-Bromo-2-fluorophenyl)amino]-6-methoxyquinazolin-7-yl}methoxy)-1-methylpiperazin-1-ium 2-(butylamino)-4-phenoxy-6-sulfamoylbenzoate acetonitrile monosolvate","","- C41 H47 Br F N7 O7 S -","- C41 H47 Br F N7 O7 S -","- C82 H94 Br2 F2 N14 O14 S2 -","2","1","DG3049","Yang, Haiwu; Liang, Minyi; Tian, Fang","Crystal structure and Hirshfeld surface analysis of a salt of antineoplastic kinase inhibitor vandetanib.","Acta crystallographica. Section C, Structural chemistry","2024","80","3","","","10.1107/S2053229624000676","","x-ray","1.54184","CuKα","","0.0654","0.0534","","","0.1413","0.1556","","","","","","1.045","","","","has coordinates,has Fobs","289751","2024-02-08","03:14:38",""
"2312394","4.8791","0.001","22.049","0.005","28.256","0.006","90","","90","","90","","3039.8","1.1","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","Bis(6-methylmercaptopurine riboside-κ<i>N</i>^7^)(nitrato-κ^2^<i>O</i>,<i>O</i>')silver(I) 2.32-hydrate","","- C22 H32.64 Ag N9 O13.32 S2 -","- C22 H32 Ag N9 O13.314 S2 -","- C88 H128 Ag4 N36 O53.256 S8 -","4","0.5","VP3034","Al-Mahamad, Lamia L G; Clegg, William","Synthesis and crystal structure of a silver(I) 6-methylmercaptopurine riboside complex.","Acta crystallographica. Section C, Structural chemistry","2024","80","3","","","10.1107/S2053229624001670","","","0.6889","synchrotron","","0.0329","0.0292","","","0.0671","0.0683","","","","","","1.097","","","","has coordinates,has disorder,has Fobs","289936","2024-02-23","03:06:00",""
"2312395","17.1883","0.0013","17.1883","0.0013","9.1123","0.0009","90","","90","","90","","2692.1","0.4","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","[5,10,15,20-Tetrakis(4-fluoro-2,6-dimethylphenyl)porphyrinato]platinum(II)","","- C52 H40 F4 N4 Pt -","- C52 H40 F4 N4 Pt -","- C104 H80 F8 N8 Pt2 -","2","0.125","YD3039","Dash, Zane S.; Huang, Raymond Q.; Kimber, Ana N.; Olubajo, Opeyemi T.; Polk, Mark; Rancu, Oliver P.; Zhang, Lauren L.; Fu, Jane; Nagelj, Nejc; Reynolds, Kristopher G.; Zheng, Shao Liang; Dogutan, Dilek K.","Oxygen quenching of structurally characterized [5,10,15,20-tetrakis(4-fluoro-2,6-dimethylphenyl)porphyrinato]platinum(II).","Acta crystallographica. Section C, Structural chemistry","2024","80","3","","","10.1107/S2053229624001621","","","0.71073","MoKα","","0.0336","0.033","","","0.0715","0.0723","","","","","","1.047","","","","has coordinates,has Fobs","289963","2024-02-27","02:59:30",""
"2312396","40.2744","0.0004","5.0976","0.0005","27.698","0.004","90","","105.729","0.006","90","","5473.5","1","100","","100","","","","","","","","","4","I 1 2 1","I 2y","5","Beauveriolide I","(3<i>R</i>,6<i>S</i>,9<i>S</i>,13<i>S</i>)-9-Benzyl-13-[(2<i>S</i>)-hexan-2-yl]-6-methyl-3-(2-methylpropyl)-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone","","- C27 H41 N3 O5 -","- C27 H41 N3 O5 -","- C216 H328 N24 O40 -","8","2","NH3001","Gurung, Kshitij; Šimek, Petr; Jegorov, Jr, Alexandr; Palatinus, Lukáš","Structure and absolute configuration of natural fungal product beauveriolide I, isolated from Cordyceps javanica, determined by 3D electron diffraction.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 3","56","61","10.1107/S2053229624001359","","electron","0.0251","electrons200keV","","0.1423","0.1098","","","0.1153","0.1199","","","","0","0","1.9083","","","","has coordinates","291108","2024-04-05","23:40:47",""
"2312397","33.5486","0.0009","26.4223","0.0006","5.36515","0.0001","90","","90","","90","","4755.84","0.19","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Carbamazepine–<i>S</i>-naproxen (1/1)","2-Azatricyclo[9.4.0.0^3,8^]pentadeca-1(11),3,5,7,9,12,14-heptaene-2-carboxamide; (2<i>S</i>)-2-(6-methoxynaphthalen-2-yl)propanoic acid","","- C58 H52 N4 O8 -","- C58 H52 N4 O8 -","- C232 H208 N16 O32 -","4","1","OJ3014","Guerain, Mathieu; Correia, Natalia T.; Roca-Paixão, Luisa; Chevreau, Hubert; Affouard, Frederic","Using synchrotron high-resolution powder X-ray diffraction for the structure determination of a new cocrystal formed by two active principle ingredients.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 2","37","42","10.1107/S2053229624000639","powder diffraction","x-ray","0.67132","synchrotron","","0.0605","0.0597","","0.0777","0.0775","","","","3.4864","","","","","","","has coordinates","290310","2024-03-05","20:13:46",""
"2312398","18.1825","0.0008","5.6191","0.0003","23.0548","0.0012","90","","94.76","0.004","90","","2347.4","0.2","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-({5-[(Naphthalen-1-yl)methyl]-4-phenyl-4<i>H</i>-1,2,4-triazol-3-yl}sulfanyl)-1-(4-nitrophenyl)ethanone","","- C27 H20 N4 O3 S -","- C27 H20 N4 O3 S -","- C108 H80 N16 O12 S4 -","4","1","ZV2033","Le, Trong Duc; Nguyen, Tien Cong; Hoang, Thi Kim Dung; Huynh, Minh Khoi; Phan, Quang Thang; Van Meervelt, Luc","Synthesis, crystal structure and Hirshfeld surface analysis of 2-({5-[(naphthalen-1-yl)meth-yl]-4-phenyl-4<i>H</i>-1,2,4-triazol-3-yl}sulfan-yl)-1-(4-nitro-phen-yl)ethanone.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","218","222","10.1107/S2056989024000859","","x-ray","0.71073","MoKα","","0.1096","0.0598","","","0.1245","0.1527","","","","","","1.022","","","","has coordinates","290311","2024-03-05","20:25:49",""
"2312399","8.383","0.0007","9.2872","0.0007","11.2981","0.0009","78.991","0.006","71.009","0.006","74.174","0.006","795.14","0.12","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>,<i>N</i>-Diethyl-4-{[(4-methoxyphenyl)imino]methyl}aniline","","- C18 H22 N2 O -","- C18 H22 N2 O -","- C36 H44 N4 O2 -","2","1","","Subashini, A.; Kumaravel, R.; Tharmalingam, B.; Ramamurthi, K.; Crochet, Aurélien; Stoeckli-Evans, Helen","(<i>E</i>)-<i>N</i>,<i>N</i>-Diethyl-4-{[(4-meth-oxy-phen-yl)imino]-meth-yl}aniline: crystal structure, Hirshfeld surface analysis and energy framework.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","201","206","10.1107/S2056989024000574","","x-ray","0.71073","MoKα","","0.0496","0.0352","","","0.0924","0.0999","","","","","","1.038","","","","has coordinates","290312","2024-03-05","20:26:03",""
"2312400","11.7033","0.00008","12.55284","0.00009","17.5256","0.0002","93.5044","0.0008","91.8625","0.0008","115.071","0.0007","2322.89","0.04","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","Tris(4-methylpyridine <i>N</i>-oxide-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)","","- C20 H21 Co N5 O3 S2 -","- C20 H21 Co N5 O3 S2 -","- C80 H84 Co4 N20 O12 S8 -","4","2","HB8092","Näther, Christian; Jess, Inke","Synthesis and crystal structure of diiso-thio-cyanato-tetra-kis-(4-methyl-pyridine <i>N</i>-oxide)cobalt(II) and diiso-thio-cyanato-tris-(4-methyl-pyridine <i>N</i>-oxide)cobalt(II) showing two different metal coordination polyhedra.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","174","179","10.1107/S2056989024000471","","x-ray","1.54184","CuKα","","0.0294","0.0287","","","0.0804","0.081","","","","","","1.071","","","","has coordinates","290313","2024-03-05","20:26:21",""
"2312401","7.0709","0.0003","9.6651","0.0005","11.0401","0.0004","90.609","0.003","96.346","0.003","108.09","0.004","711.99","0.06","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","Tetrakis(4-methylpyridine <i>N</i>-oxide-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)","","- C26 H28 Co N6 O4 S2 -","- C26 H28 Co N6 O4 S2 -","- C26 H28 Co N6 O4 S2 -","1","0.5","HB8092","Näther, Christian; Jess, Inke","Synthesis and crystal structure of diiso-thio-cyanato-tetra-kis-(4-methyl-pyridine <i>N</i>-oxide)cobalt(II) and diiso-thio-cyanato-tris-(4-methyl-pyridine <i>N</i>-oxide)cobalt(II) showing two different metal coordination polyhedra.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","174","179","10.1107/S2056989024000471","","x-ray","1.54184","CuKα","","0.0295","0.0293","","","0.081","0.0811","","","","","","1.114","","","","has coordinates","290313","2024-03-05","20:26:22",""
"2312402","5.6599","0.0011","7.9243","0.001","34.353","0.005","90","","90","","90","","1540.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-(+)-1-(4-Bromophenyl)-<i>N</i>-[(4-methoxyphenyl)methylidene]ethylamine","","- C16 H16 Br N O -","- C16 H16 Br N O -","- C64 H64 Br4 N4 O4 -","4","1","EE2003","Anzaldo, Bertin; Moreno Morales, Gloria E.; Villamizar C, Claudia P; Mendoza, Ángel; Hernández Téllez, Guadalupe","(<i>S</i>)-(+)-1-(4-Bromo-phen-yl)-<i>N</i>-[(4-methoxyphen-yl)methyl-idene]ethyl-amine and bis-{(<i>S</i>)-(+)-1-(4-bromo-phen-yl)-<i>N</i>-[(4-methoxyphen-yl)methyl-idene]ethyl-amine-κ<i>N</i>}di-chlorido-palladium(II).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","213","217","10.1107/S2056989024000690","","","0.71073","MoKα","","0.1136","0.0508","","","0.0945","0.116","","","","","","1.046","","","","has coordinates","290314","2024-03-05","20:26:41",""
"2312403","9.0493","0.0004","25.1365","0.0008","14.1725","0.0007","90","","90.185","0.004","90","","3223.8","0.2","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Dichloridobis{(<i>S</i>)-(+)-1-(4-bromophenyl)-<i>N</i>-[(4-methoxyphenyl)methylidene]ethylamine-κ<i>N</i>}palladium(II)","","- C32 H32 Br2 Cl2 N2 O2 Pd -","- C32 H32 Br2 Cl2 N2 O2 Pd -","- C128 H128 Br8 Cl8 N8 O8 Pd4 -","4","2","EE2003","Anzaldo, Bertin; Moreno Morales, Gloria E.; Villamizar C, Claudia P; Mendoza, Ángel; Hernández Téllez, Guadalupe","(<i>S</i>)-(+)-1-(4-Bromo-phen-yl)-<i>N</i>-[(4-methoxyphen-yl)methyl-idene]ethyl-amine and bis-{(<i>S</i>)-(+)-1-(4-bromo-phen-yl)-<i>N</i>-[(4-methoxyphen-yl)methyl-idene]ethyl-amine-κ<i>N</i>}di-chlorido-palladium(II).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","213","217","10.1107/S2056989024000690","","","0.71073","MoKα","","0.0753","0.0466","","","0.0937","0.1074","","","","","","1.019","","","","has coordinates,has disorder","290314","2024-03-05","20:26:41",""
"2312404","12.4307","0.0013","6.691","0.0006","10.7087","0.001","90","","107.506","0.003","90","","849.43","0.14","296","2","296","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Dicadmium orthophosphate hydroxide","","- Cd2 H O5 P -","- Cd2 O5 P -","- Cd16 O40 P8 -","8","1","TX2081","Eder, Felix; Weil, Matthias","Cadmium phosphates Cd<sub>2</sub>(PO<sub>4</sub>)OH and Cd<sub>5</sub>(PO<sub>4</sub>)<sub>2</sub>(OH)<sub>4</sub> crystallizing in mineral structures.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","207","212","10.1107/S2056989024000793","","","0.71073","MoKα","","0.0847","0.0465","","","0.0852","0.0996","","","","","","1.033","","","","has coordinates","290315","2024-03-05","20:27:10",""
"2312405","5.8901","0.0004","9.3455","0.0006","18.7423","0.0013","90","","90","","90","","1031.69","0.12","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Pentacadmium bis(orthophosphate) tetrakis(hydroxide)","","- Cd5 H4 O12 P2 -","- Cd5 O12 P2 -","- Cd20 O48 P8 -","4","1","TX2081","Eder, Felix; Weil, Matthias","Cadmium phosphates Cd<sub>2</sub>(PO<sub>4</sub>)OH and Cd<sub>5</sub>(PO<sub>4</sub>)<sub>2</sub>(OH)<sub>4</sub> crystallizing in mineral structures.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","207","212","10.1107/S2056989024000793","","","0.71073","MoKα","","0.0575","0.0385","","","0.0546","0.0588","","","","","","0.966","","","","has coordinates","290315","2024-03-05","20:27:10",""
"2312406","8.8691","0.0008","9.4161","0.0009","13.0347","0.0011","75.502","0.008","85.013","0.008","62.478","0.01","934.1","0.17","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","(<i>RS</i>)-1-[2-(2,4-Dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]-1<i>H</i>-imidazole","","- C18 H14 Cl4 N2 O -","- C18 H14 Cl4 N2 O -","- C36 H28 Cl8 N4 O2 -","2","1","JY2040","Kaspiaruk, Hanna; Chęcińska, Lilianna","A triclinic polymorph of miconazole.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","196","200","10.1107/S2056989024000276","","x-ray","1.54184","CuKα","","0.1099","0.0853","","","0.2049","0.2236","","","","","","1.102","","","","has coordinates,has disorder","290316","2024-03-05","20:27:33",""
"2312407","12.9839","0.0001","12.9839","0.0001","12.9839","0.0001","90","","90","","90","","2188.85","0.03","297","2","297","2","","","","","","","","5","F -4 3 c","F -4a 2 3","219","Lithium aluminoboracite","Lithium aluminoboracite","","- Al3 B4 Cl Li4 O12 -","- Al3 B4 Cl Li3.997 O12 -","- Al24 B32 Cl8 Li31.976 O96 -","8","0.0833333","WM5704","Yoshino, Sho; Arima, Hidechika; Ishijima, Masanao; Kajihara, Koichi","Crystal structures of the alkali aluminoboracites <i>A</i><sub>4</sub>B<sub>4</sub>Al<sub>3</sub>O<sub>12</sub>Cl (<i>A</i> = Li, Na).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","169","173","10.1107/S2056989024000501","","","1.54178","CuKα","","0.0307","0.0307","","","0.0746","0.0747","","","","","","1.155","","","","has coordinates","290317","2024-03-05","20:28:11",""
"2312408","12.9839","0.0001","12.9839","0.0001","12.9839","0.0001","90","","90","","90","","2188.85","0.03","297","2","297","2","","","","","","","","5","F 2 3","F 2 2 3","196","Lithium aluminoboracite","Lithium aluminoboracite","","- Al3 B4 Cl Li4 O12 -","- Al3 B4 Cl Li4 O12 -","- Al24 B32 Cl8 Li32 O96 -","8","0.166667","WM5704","Yoshino, Sho; Arima, Hidechika; Ishijima, Masanao; Kajihara, Koichi","Crystal structures of the alkali aluminoboracites <i>A</i><sub>4</sub>B<sub>4</sub>Al<sub>3</sub>O<sub>12</sub>Cl (<i>A</i> = Li, Na).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","169","173","10.1107/S2056989024000501","","","1.54178","CuKα","","0.036","0.0322","","","0.0775","0.0814","","","","","","1.171","","","","has coordinates","290317","2024-03-05","20:28:12",""
"2312409","13.5904","0.0001","13.5904","0.0001","13.5904","0.0001","90","","90","","90","","2510.13","0.03","294","2","294","2","","","","","","","","5","F -4 3 c","F -4a 2 3","219","Sodium aluminoboracite","Sodium aluminoboracite","","- Al3 B4 Cl0.92 Na3.92 O12 -","- Al3 B4 Cl0.92 Na3.918 O12 -","- Al24 B32 Cl7.36 Na31.344 O96 -","8","0.0833333","WM5704","Yoshino, Sho; Arima, Hidechika; Ishijima, Masanao; Kajihara, Koichi","Crystal structures of the alkali aluminoboracites <i>A</i><sub>4</sub>B<sub>4</sub>Al<sub>3</sub>O<sub>12</sub>Cl (<i>A</i> = Li, Na).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","169","173","10.1107/S2056989024000501","","","1.54178","CuKα","","0.0222","0.022","","","0.055","0.0551","","","","","","1.197","","","","has coordinates","290317","2024-03-05","20:28:12",""
"2312410","13.5904","0.0001","13.5904","0.0001","13.5904","0.0001","90","","90","","90","","2510.13","0.03","294","2","294","2","","","","","","","","5","F 2 3","F 2 2 3","196","Sodium aluminoboracite","Sodium aluminoboracite","","- Al3 B4 Cl0.92 Na3.92 O12 -","- Al3 B4 Cl0.921 Na3.922 O12 -","- Al24 B32 Cl7.368 Na31.376 O96 -","8","0.166667","WM5704","Yoshino, Sho; Arima, Hidechika; Ishijima, Masanao; Kajihara, Koichi","Crystal structures of the alkali aluminoboracites <i>A</i><sub>4</sub>B<sub>4</sub>Al<sub>3</sub>O<sub>12</sub>Cl (<i>A</i> = Li, Na).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","169","173","10.1107/S2056989024000501","","","1.54178","CuKα","","0.0295","0.0244","","","0.0621","0.0658","","","","","","1.119","","","","has coordinates","290317","2024-03-05","20:28:12",""
"2312411","15.47572","0.00016","4.16896","0.00004","23.2257","0.0002","90","","100.196","0.0009","90","","1474.8","0.02","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 4-{2,2-dichloro-1-[(<i>E</i>)-phenyldiazenyl]ethenyl}benzoate","","- C16 H12 Cl2 N2 O2 -","- C16 H12 Cl2 N2 O2 -","- C64 H48 Cl8 N8 O8 -","4","1","WM5708","Shikhaliyev, Namiq Q.; İbrahimova, Shafiga A; Atakishiyeva, Gulnar T.; Ahmedova, Nigar E.; Babayeva, Gulnara V.; Khrustalev, Victor N.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structures and Hirshfeld surface analyses of methyl 4-{2,2-di-chloro-1-[(<i>E</i>)-phenyl-diazen-yl]eth-enyl}benzoate, methyl 4-{2,2-di-chloro-1-[(<i>E</i>)-(4-methyl-phen-yl)diazen-yl]ethen-yl}benzoate and methyl 4-{2,2-di-chloro-1-[(<i>E</i>)-(3,4-di-methyl-phen-yl)diazen-yl]ethen-yl}benzoate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","184","190","10.1107/S2056989024000732","","","1.54184","CuKα","","0.0424","0.0383","","","0.0999","0.1034","","","","","","1.036","","","","has coordinates","290318","2024-03-05","20:28:41",""
"2312412","15.6177","0.0002","8.47502","0.00011","13.10365","0.00017","90","","109.656","0.0015","90","","1633.34","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 4-{2,2-dichloro-1-[(<i>E</i>)-(4-methylphenyl)diazenyl]ethenyl}benzoate","","- C17 H14 Cl2 N2 O2 -","- C17 H14 Cl2 N2 O2 -","- C68 H56 Cl8 N8 O8 -","4","1","WM5708","Shikhaliyev, Namiq Q.; İbrahimova, Shafiga A; Atakishiyeva, Gulnar T.; Ahmedova, Nigar E.; Babayeva, Gulnara V.; Khrustalev, Victor N.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structures and Hirshfeld surface analyses of methyl 4-{2,2-di-chloro-1-[(<i>E</i>)-phenyl-diazen-yl]eth-enyl}benzoate, methyl 4-{2,2-di-chloro-1-[(<i>E</i>)-(4-methyl-phen-yl)diazen-yl]ethen-yl}benzoate and methyl 4-{2,2-di-chloro-1-[(<i>E</i>)-(3,4-di-methyl-phen-yl)diazen-yl]ethen-yl}benzoate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","184","190","10.1107/S2056989024000732","","","1.54184","CuKα","","0.04","0.0376","","","0.1057","0.1082","","","","","","1.129","","","","has coordinates","290318","2024-03-05","20:28:42",""
"2312413","8.22057","0.0001","8.53211","0.00009","13.08729","0.00014","103.948","0.0009","101.905","0.001","98.06","0.0009","854.086","0.018","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Methyl 4-{2,2-dichloro-1-[(<i>E</i>)-(3,4-dimethylphenyl)diazenyl]ethenyl}benzoate","","- C18 H16 Cl2 N2 O2 -","- C18 H16 Cl2 N2 O2 -","- C36 H32 Cl4 N4 O4 -","2","1","WM5708","Shikhaliyev, Namiq Q.; İbrahimova, Shafiga A; Atakishiyeva, Gulnar T.; Ahmedova, Nigar E.; Babayeva, Gulnara V.; Khrustalev, Victor N.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structures and Hirshfeld surface analyses of methyl 4-{2,2-di-chloro-1-[(<i>E</i>)-phenyl-diazen-yl]eth-enyl}benzoate, methyl 4-{2,2-di-chloro-1-[(<i>E</i>)-(4-methyl-phen-yl)diazen-yl]ethen-yl}benzoate and methyl 4-{2,2-di-chloro-1-[(<i>E</i>)-(3,4-di-methyl-phen-yl)diazen-yl]ethen-yl}benzoate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","184","190","10.1107/S2056989024000732","","","1.54184","CuKα","","0.0371","0.0348","","","0.0951","0.0974","","","","","","1.084","","","","has coordinates","290318","2024-03-05","20:28:43",""
"2312414","7.9058","0.0004","8.2979","0.0005","14.6473","0.0009","90","","101.565","0.002","90","","941.38","0.09","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sodium bis(malonato)borate monohydrate","Poly[aqua[μ~4~-bis(malonato)borato]sodium]","","- C6 H6 B Na O9 -","- C6 H6 B Na O9 -","- C24 H24 B4 Na4 O36 -","4","1","HB8086","Selvi, Ramalingam; Gokila, Govindharajan; Thiruvalluvar, Aravazhi Amalan; Sundararajan, Raju Sarangapani","Synthesis, crystal structure and Hirshfeld surface analysis of sodium bis-(malonato)borate monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","180","183","10.1107/S2056989024000537","","","0.71073","MoKα","","0.0443","0.0382","","","0.0996","0.1047","","","","","","1.082","","","","has coordinates","290319","2024-03-05","20:29:23",""
"2312415","5.7855","0.0016","7.3347","0.0019","12.424","0.003","106.519","0.008","91.912","0.009","92.326","0.009","504.5","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(2<i>E</i>)-1-Phenyl-3-(1<i>H</i>-pyrrol-2-yl)propen-1-one","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","TX2080","Safarova, Ayten S.; Khalilov, Ali N.; Akkurt, Mehmet; Maharramov, Abel M.; Bhattarai, Ajaya; Naghiyev, Farid N.; Mamedov, İbrahim G","Crystal structure and Hirshfeld surface analysis of (2<i>E</i>)-1-phenyl-3-(1<i>H</i>-pyrrol-2-yl)propen-1-one.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","191","195","10.1107/S2056989024000495","","","0.71073","MoKα","","0.0732","0.0493","","","0.0995","0.108","","","","","","1.064","","","","has coordinates","290320","2024-03-05","20:29:41",""
"2312416","13.8926","0.0001","11.9663","0.0001","19.3872","0.0001","90","","100.384","0.001","90","","3170.2","0.04","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(2-Oxo-1,2-diphenylethyl)pyrrolidin-1-ium chloride hemihydrate","","- C36 H42 Cl2 N2 O3 -","- C36 H42 Cl2 N2 O3 -","- C144 H168 Cl8 N8 O12 -","4","0.5","EQ3015","Wood, Matthew R.; Bernal, Ivan; Lalancette, Roger A.","Crystal structure and analytical profile of 1,2-diphenyl-2-pyrrolidin-1-ylethanone hydrochloride or `α-D2PV': a synthetic cathinone seized by law enforcement, along with its diluent sugar, myo-inositol.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 4","91","97","10.1107/S2053229624000561","","x-ray","1.54184","CuKα","","0.0319","0.0305","","","0.0811","0.0821","","","","","","1.093","","","","has coordinates","291715","2024-05-06","04:19:10",""
"2312417","6.61708","0.00006","12.0474","0.0001","18.88721","0.00019","90","","93.9791","0.0008","90","","1502.03","0.02","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Myo-inositol","Cyclohexane-1,2,3,4,5,6-hexol","","- C6 H12 O6 -","- C6 H12 O6 -","- C48 H96 O48 -","8","2","EQ3015","Wood, Matthew R.; Bernal, Ivan; Lalancette, Roger A.","Crystal structure and analytical profile of 1,2-diphenyl-2-pyrrolidin-1-ylethanone hydrochloride or `α-D2PV': a synthetic cathinone seized by law enforcement, along with its diluent sugar, myo-inositol.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 4","91","97","10.1107/S2053229624000561","","x-ray","1.54184","CuKα","","0.0436","0.0378","","","0.1047","0.1095","","","","","","1.062","","","","has coordinates","291715","2024-05-06","04:19:10",""
"2312418","9.73","0.005","16.52","0.009","17.649","0.01","90","","103.19","0.02","90","","2762","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[{μ~2~-bis[4-(2-methyl-1<i>H</i>-imidazol-1-yl)phenyl]methanone-κ^2^<i>N</i>^3^:<i>N</i>^3'^}(μ~2~-5-bromobenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^)zinc(II)]","","- C29 H21 Br N4 O5 Zn -","- C29 H21 Br N4 O5 Zn -","- C116 H84 Br4 N16 O20 Zn4 -","4","1","DG3050","Wang, Yan; Cheng, Wei Wei; Mou, Yi; Wen, Shuai; Wang, Dongkai; Xue, Yun Shan","A twofold interpenetrated two-dimensional zinc(II) coordination polymer for the highly sensitive detection of nitrofurantoin in aqueous medium.","Acta crystallographica. Section C, Structural chemistry","2024","80","4","","","10.1107/S2053229624002171","","","0.71073","MoKα","","0.0436","0.0362","","","0.0971","0.1004","","","","","","1.021","","","","has coordinates,has Fobs","290474","2024-03-13","03:07:07",""
"2312419","9.455","0.008","9.628","0.008","12.023","0.01","69.506","0.01","79.904","0.012","66.215","0.011","937.4","1.4","293.15","","293.15","","","","","","","","","4","P -1","-P 1","2","","4-(4-Methylphenyl)-3-(pyridin-2-yl)-5-(pyrimidin-2-yl)-1,2,4-triazole ethanol monosolvate","","- C20 H20 N6 O -","- C20 H20 N6 O -","- C40 H40 N12 O2 -","2","1","VP3032","Song, Huijie; Peng, Ri; Zuo, Yi; Wang, Tao; Zhu, Dunru","Syntheses, crystal structures and intermolecular interactions of six novel pyrimidin-2-yl-substituted triaryltriazoles.","Acta crystallographica. Section C, Structural chemistry","2024","80","4","","","10.1107/S2053229624002018","","","0.71073","MoKα","","0.1087","0.0627","","","0.1754","0.1974","","","","","","1.051","","","","has coordinates,has Fobs","290475","2024-03-13","03:08:09",""
"2312420","8.5626","0.0016","18.701","0.004","19.024","0.004","90","","90","","90","","3046.3","1.1","293.15","","293.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-Phenyl-3-(pyridin-2-yl)-5-(pyrimidin-2-yl)-1,2,4-triazole","","- C17 H12 N6 -","- C17 H12 N6 -","- C136 H96 N48 -","8","1","VP3032","Song, Huijie; Peng, Ri; Zuo, Yi; Wang, Tao; Zhu, Dunru","Syntheses, crystal structures and intermolecular interactions of six novel pyrimidin-2-yl-substituted triaryltriazoles.","Acta crystallographica. Section C, Structural chemistry","2024","80","4","","","10.1107/S2053229624002018","","","0.71073","MoKα","","0.1252","0.05","","","0.1115","0.1349","","","","","","0.918","","","","has coordinates,has Fobs","290475","2024-03-13","03:08:11",""
"2312421","8.551","0.0013","9.4214","0.0015","11.5813","0.0018","85.894","0.002","70.776","0.002","65.64","0.002","800.3","0.2","293.15","","293.15","","","","","","","","","4","P -1","-P 1","2","","4-(4-Bromophenyl)-3-(pyridin-2-yl)-5-(pyrimidin-2-yl)-1,2,4-triazole","","- C17 H11 Br N6 -","- C17 H11 Br N6 -","- C34 H22 Br2 N12 -","2","1","VP3032","Song, Huijie; Peng, Ri; Zuo, Yi; Wang, Tao; Zhu, Dunru","Syntheses, crystal structures and intermolecular interactions of six novel pyrimidin-2-yl-substituted triaryltriazoles.","Acta crystallographica. Section C, Structural chemistry","2024","80","4","","","10.1107/S2053229624002018","","","0.71073","MoKα","","0.051","0.0388","","","0.0958","0.1005","","","","","","1.08","","","","has coordinates,has Fobs","290475","2024-03-13","03:08:13",""
"2312422","8.5105","0.0013","9.3681","0.0014","10.8959","0.0016","81.355","0.002","82.482","0.002","67.388","0.002","790.3","0.2","293.15","","293.15","","","","","","","","","4","P -1","-P 1","2","","4-(4-Chlorophenyl)-3-(pyridin-2-yl)-5-(pyrimidin-2-yl)-1,2,4-triazole","","- C17 H11 Cl N6 -","- C17 H11 Cl N6 -","- C34 H22 Cl2 N12 -","2","1","VP3032","Song, Huijie; Peng, Ri; Zuo, Yi; Wang, Tao; Zhu, Dunru","Syntheses, crystal structures and intermolecular interactions of six novel pyrimidin-2-yl-substituted triaryltriazoles.","Acta crystallographica. Section C, Structural chemistry","2024","80","4","","","10.1107/S2053229624002018","","","0.71073","MoKα","","0.0456","0.0387","","","0.0984","0.1021","","","","","","1.069","","","","has coordinates,has Fobs","290475","2024-03-13","03:08:15",""
"2312423","8.624","0.002","9.503","0.002","10.471","0.003","80.312","0.003","81.512","0.004","64.78","0.003","762.5","0.3","293.15","","293.15","","","","","","","","","4","P -1","-P 1","2","","4-(4-Fluorophenyl)-3-(pyridin-2-yl)-5-(pyrimidin-2-yl)-1,2,4-triazole","","- C17 H11 F N6 -","- C17 H11 F N6 -","- C34 H22 F2 N12 -","2","1","VP3032","Song, Huijie; Peng, Ri; Zuo, Yi; Wang, Tao; Zhu, Dunru","Syntheses, crystal structures and intermolecular interactions of six novel pyrimidin-2-yl-substituted triaryltriazoles.","Acta crystallographica. Section C, Structural chemistry","2024","80","4","","","10.1107/S2053229624002018","","","0.71073","MoKα","","0.0813","0.0515","","","0.1256","0.1377","","","","","","1.021","","","","has coordinates,has Fobs","290475","2024-03-13","03:08:16",""
"2312424","15.7069","0.001","11.8266","0.0011","17.5763","0.0012","90","","90","","90","","3265","0.4","293.15","","293.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-(4-Methylphenyl)-3-(pyridin-2-yl)-5-(pyrimidin-2-yl)-1,2,4-triazole","","- C18 H14 N6 -","- C18 H14 N6 -","- C144 H112 N48 -","8","1","VP3032","Song, Huijie; Peng, Ri; Zuo, Yi; Wang, Tao; Zhu, Dunru","Syntheses, crystal structures and intermolecular interactions of six novel pyrimidin-2-yl-substituted triaryltriazoles.","Acta crystallographica. Section C, Structural chemistry","2024","80","4","","","10.1107/S2053229624002018","","","0.71073","MoKα","","0.0843","0.0542","","","0.1435","0.157","","","","","","0.977","","","","has coordinates,has disorder,has Fobs","290475","2024-03-13","03:08:16",""
"2312425","6.776","","5.496","","9.252","","90","","90","","90","","344.553","","","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca8 O16 Si4 -","- Ca8 O16 Si4 -","- Ca8 O16 Si4 -","1","0.125","","Plana-Ruiz, Sergi; Götz, Emilia; Neumann, Thomas; Schwesig, Peter; Kolb, Ute","Three-dimensional electron diffraction on clinkers: the belite α'<sub>H</sub> incommensurate modulated structure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","105","116","10.1107/S205252062400146X","","electron","0.0197","electron","","0.0787","0.0557","","","0.0562","0.0585","","","","1.77","1.77","2.03","","","","has coordinates","291106","2024-04-05","23:40:00",""
"2312426","6.776","","5.496","","9.252","","90","","90","","90","","344.553","","293","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca8 O16 Si4 -","- Ca8 O16 Si4 -","- Ca8 O16 Si4 -","1","0.125","","Plana-Ruiz, Sergi; Götz, Emilia; Neumann, Thomas; Schwesig, Peter; Kolb, Ute","Three-dimensional electron diffraction on clinkers: the belite α'<sub>H</sub> incommensurate modulated structure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","105","116","10.1107/S205252062400146X","","electron","0.0197","electron","","0.1824","0.1228","","","0.1122","0.1197","","","","3.1","3.1","2.38","","","","has coordinates","291106","2024-04-05","23:40:00",""
"2312427","6.765","","5.514","","9.25","","90","","90","","90","","345.045","","","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca8 O16 Si4 -","- Ca8 O16 Si4 -","- Ca8 O16 Si4 -","1","0.125","","Plana-Ruiz, Sergi; Götz, Emilia; Neumann, Thomas; Schwesig, Peter; Kolb, Ute","Three-dimensional electron diffraction on clinkers: the belite α'<sub>H</sub> incommensurate modulated structure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","105","116","10.1107/S205252062400146X","","electron","0.0197","electron","","0.0708","0.055","","","0.0607","0.0623","","","","2.09","2.09","2.37","","","","has coordinates","291106","2024-04-05","23:40:00",""
"2312428","6.765","","5.514","","9.25","","90","","90","","90","","345.045","","293","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca8 O16 Si4 -","- Ca8 O16 Si4 -","- Ca8 O16 Si4 -","1","0.125","","Plana-Ruiz, Sergi; Götz, Emilia; Neumann, Thomas; Schwesig, Peter; Kolb, Ute","Three-dimensional electron diffraction on clinkers: the belite α'<sub>H</sub> incommensurate modulated structure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","105","116","10.1107/S205252062400146X","","electron","0.0197","electron","","0.1694","0.0964","","","0.0985","0.1049","","","","3.14","3.14","2.22","","","","has coordinates","291106","2024-04-05","23:40:00",""
"2312429","7.6186","0.0002","9.4985","0.0002","11.9173","0.0003","105.38","0.001","95.005","0.001","93.78","0.001","824.78","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Acridin-10-ium 4-nitrobenzoate","","- C20 H14 N2 O4 -","- C20 H14 N2 O4 -","- C40 H28 N4 O8 -","2","1","EF3054","Balasubramanian, Hemalatha; Mariappan, Petchi Raman; Poomani, Kumaradhas","Crystal structure, intermolecular interactions, charge-density distribution and ADME properties of the acridinium 4-nitrobenzoate and 2-amino-3-methylpyridinium 4-nitrobenzoate salts: a combined experimental and theoretical study.","Acta crystallographica. Section C, Structural chemistry","2024","80","4","","","10.1107/S2053229624002250","","x-ray","0.71073","MoKα","","0.0578","0.0495","","","0.158","0.1659","","","","","","1.081","","","","has coordinates,has Fobs","290543","2024-03-20","02:57:49",""
"2312430","8.2555","0.0006","6.752","0.0005","11.8096","0.0009","90","","90.573","0.003","90","","658.25","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Amino-3-methylpyridinium 4-nitrobenzoate","","- C13 H13 N3 O4 -","- C13 H13 N3 O4 -","- C26 H26 N6 O8 -","2","1","EF3054","Balasubramanian, Hemalatha; Mariappan, Petchi Raman; Poomani, Kumaradhas","Crystal structure, intermolecular interactions, charge-density distribution and ADME properties of the acridinium 4-nitrobenzoate and 2-amino-3-methylpyridinium 4-nitrobenzoate salts: a combined experimental and theoretical study.","Acta crystallographica. Section C, Structural chemistry","2024","80","4","","","10.1107/S2053229624002250","","","0.71073","MoKα","","0.0539","0.0517","","","0.1306","0.1323","","","","","","1.143","","","","has coordinates,has Fobs","290543","2024-03-20","02:57:50",""
"2312431","7.2034","0.0003","5.961","0.0002","37.6935","0.0012","90","","90","","90","","1618.54","0.1","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H18 O4 -","- C22 H18 O4 -","- C88 H72 O16 -","4","0.5","AW5083","Osipov, Artyom A.; Nayfert, Sergey A.; Sobalev, Sergey A.; Rajakumar, Kanthapazham; Zherebtsov, Dmitry A.; Spiridonova, Dar'ya V.; Vinnik, Denis A.","Effect of a halogen bond on the crystal structure of terphenyldicarboxylic acid derivatives.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","2","","","10.1107/S2052520624001318","","x-ray","1.54184","CuKα","","0.0678","0.0636","","","0.1825","0.186","","","","","","1.084","","","","has coordinates,has disorder,has Fobs","290606","2024-03-23","03:02:08",""
"2312432","7.458","0.0003","14.6955","0.0005","9.7079","0.0004","90","","111.084","0.005","90","","992.75","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 I2 O4 -","- C22 H16 I2 O4 -","- C44 H32 I4 O8 -","2","0.5","AW5083","Osipov, Artyom A.; Nayfert, Sergey A.; Sobalev, Sergey A.; Rajakumar, Kanthapazham; Zherebtsov, Dmitry A.; Spiridonova, Dar'ya V.; Vinnik, Denis A.","Effect of a halogen bond on the crystal structure of terphenyldicarboxylic acid derivatives.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","2","","","10.1107/S2052520624001318","","x-ray","0.71073","MoKα","","0.0257","0.0242","","","0.0611","0.0621","","","","","","1.086","","","","has coordinates,has Fobs","290606","2024-03-23","03:02:09",""
"2312433","6.0126","0.0001","6.9783","0.0002","34.941","0.0007","90","","93.359","0.002","90","","1463.53","0.06","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C20 H13 K O4 -","- C20 H13 K O4 -","- C80 H52 K4 O16 -","4","0.5","AW5083","Osipov, Artyom A.; Nayfert, Sergey A.; Sobalev, Sergey A.; Rajakumar, Kanthapazham; Zherebtsov, Dmitry A.; Spiridonova, Dar'ya V.; Vinnik, Denis A.","Effect of a halogen bond on the crystal structure of terphenyldicarboxylic acid derivatives.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","2","","","10.1107/S2052520624001318","","x-ray","1.54184","CuKα","","0.0265","0.0261","","","0.082","0.0823","","","","","","1.134","","","","has coordinates,has Fobs","290606","2024-03-23","03:02:09",""
"2312434","7.1094","0.0002","5.9629","0.0002","29.6773","0.0008","90","","90","","90","","1258.1","0.06","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H14 O4 -","- C16 H14 O4 -","- C64 H56 O16 -","4","0.5","AW5083","Osipov, Artyom A.; Nayfert, Sergey A.; Sobalev, Sergey A.; Rajakumar, Kanthapazham; Zherebtsov, Dmitry A.; Spiridonova, Dar'ya V.; Vinnik, Denis A.","Effect of a halogen bond on the crystal structure of terphenyldicarboxylic acid derivatives.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","2","","","10.1107/S2052520624001318","","x-ray","1.54184","CuKα","","0.0388","0.035","","","0.095","0.0997","","","","","","1.056","","","","has coordinates,has Fobs","290606","2024-03-23","03:02:09",""
"2312435","6.5888","0.0004","5.3664","0.0003","8.5293","0.0005","90","","105.389","0.006","90","","290.77","0.03","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- B2 K O6 Sr Y -","- B2 K O6 Sr Y -","- B4 K2 O12 Sr2 Y2 -","2","0.5","","Kuznetsov, Artem B.; Kokh, Konstantin A.; Gorelova, Liudmila A.; Sofich, Dmitry O.; Sagatov, Nursultan; Gavryushkin, Pavel N.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Shevchenko, Vyacheslav S.; Kokh, Alexander E.","Growth, crystal structure and IR luminescence of KSrY<sub>1-x</sub>Er<sub>x</sub>(BO<sub>3</sub>)<sub>2</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","2","","","10.1107/S205252062400177X","","","0.71073","MoKα","","0.0473","0.0433","","","0.1153","0.1184","","","","","","0.935","","","","has coordinates,has Fobs","290607","2024-03-23","03:02:33",""
"2312436","5.3798","0.0004","5.3798","0.0004","17.6988","0.0015","90","","90","","120","","443.62","0.06","873","2","873","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- B6 K3 O18 Sr3 Y3 -","- B6 K3 O18 Sr3 Y3 -","- B6 K3 O18 Sr3 Y3 -","1","0.0277778","","Kuznetsov, Artem B.; Kokh, Konstantin A.; Gorelova, Liudmila A.; Sofich, Dmitry O.; Sagatov, Nursultan; Gavryushkin, Pavel N.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Shevchenko, Vyacheslav S.; Kokh, Alexander E.","Growth, crystal structure and IR luminescence of KSrY<sub>1-x</sub>Er<sub>x</sub>(BO<sub>3</sub>)<sub>2</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","2","","","10.1107/S205252062400177X","","","0.71073","MoKα","","0.0356","0.034","","","0.1038","0.1047","","","","","","1.246","","","","has coordinates,has Fobs","290607","2024-03-23","03:02:41",""
"2312437","6.594","0.0004","5.3718","0.0003","8.5241","0.0005","90","","105.39","0.007","90","","291.11","0.03","305","2","305","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- B2 K O6 Sr Y -","- B2 K O6 Sr Y -","- B4 K2 O12 Sr2 Y2 -","2","0.5","","Kuznetsov, Artem B.; Kokh, Konstantin A.; Gorelova, Liudmila A.; Sofich, Dmitry O.; Sagatov, Nursultan; Gavryushkin, Pavel N.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Shevchenko, Vyacheslav S.; Kokh, Alexander E.","Growth, crystal structure and IR luminescence of KSrY<sub>1-x</sub>Er<sub>x</sub>(BO<sub>3</sub>)<sub>2</sub>.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","2","","","10.1107/S205252062400177X","","","0.71073","MoKα","","0.07","0.0637","","","0.1754","0.1807","","","","","","0.987","","","","has coordinates,has Fobs","290607","2024-03-23","03:02:43",""
"2312438","14.0325","0.0007","14.0325","0.0007","9.9333","0.0006","90","","90","","120","","1693.93","0.16","100","0.1","100","0.1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","PX5059","Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.","Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","135","145","10.1107/S2052520624001586","","x-ray","0.71073","MoKα","","0.0239","0.0205","","","0.0451","0.046","","","","","","1.054","","","","has coordinates","291107","2024-04-05","23:40:27",""
"2312439","14.1212","0.0009","14.1212","0.0009","10.2274","0.0009","90","","90","","120","","1766.2","0.2","293","1","293","1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","","Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.","Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","135","145","10.1107/S2052520624001586","","x-ray","0.71073","MoKα","","0.0328","0.0274","","","0.0623","0.0637","","","","","","1.049","","","","has coordinates","291107","2024-04-05","23:40:27",""
"2312440","14.0925","0.0013","14.0925","0.0013","10.1233","0.001","90","","90","","120","","1741.1","0.3","293","1","293","1","150000","","150000","","","","","6","R -3 :H","-R 3","148","","","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","","Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.","Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","135","145","10.1107/S2052520624001586","","x-ray","0.71073","MoKα","","0.0525","0.0337","","","0.0592","0.0644","","","","","","1.044","","","","has coordinates","291107","2024-04-05","23:40:27",""
"2312441","14.0661","0.0007","14.0661","0.0007","10.0405","0.0005","90","","90","","120","","1720.42","0.15","293","1","293","1","290000","","290000","","","","","6","R -3 :H","-R 3","148","","","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","","Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.","Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","135","145","10.1107/S2052520624001586","","x-ray","0.71073","MoKα","","0.0318","0.0275","","","0.0639","0.0652","","","","","","1.028","","","","has coordinates","291107","2024-04-05","23:40:27",""
"2312442","14.0266","0.0007","14.0266","0.0007","9.9794","0.0004","90","","90","","120","","1700.36","0.14","293","1","293","1","380000","","380000","","","","","6","R -3 :H","-R 3","148","","","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","","Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.","Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","135","145","10.1107/S2052520624001586","","x-ray","0.71073","MoKα","","0.0279","0.0235","","","0.0511","0.0521","","","","","","1.059","","","","has coordinates","291107","2024-04-05","23:40:27",""
"2312443","13.9661","0.0007","13.9661","0.0007","9.8695","0.0005","90","","90","","120","","1667.16","0.15","293","1","293","1","600000","","600000","","","","","6","R -3 :H","-R 3","148","","","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","","Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.","Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","135","145","10.1107/S2052520624001586","","x-ray","0.71073","MoKα","","0.0258","0.0222","","","0.051","0.0522","","","","","","1.035","","","","has coordinates","291107","2024-04-05","23:40:27",""
"2312444","13.9423","0.0007","13.9423","0.0007","9.8301","0.0006","90","","90","","120","","1654.85","0.15","293","1","293","1","680000","","680000","","","","","6","R -3 :H","-R 3","148","","","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","","Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.","Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","135","145","10.1107/S2052520624001586","","x-ray","0.71073","MoKα","","0.0297","0.0248","","","0.0571","0.0591","","","","","","1.054","","","","has coordinates","291107","2024-04-05","23:40:27",""
"2312445","13.9035","0.0007","13.9035","0.0007","9.7746","0.0005","90","","90","","120","","1636.36","0.14","293","1","293","1","830000","","830000","","","","","6","R -3 :H","-R 3","148","","","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","","Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.","Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","135","145","10.1107/S2052520624001586","","x-ray","0.71073","MoKα","","0.0284","0.0237","","","0.0547","0.0568","","","","","","1.019","","","","has coordinates","291107","2024-04-05","23:40:27",""
"2312446","13.8794","0.0007","13.8794","0.0007","9.7474","0.0006","90","","90","","120","","1626.15","0.15","293","1","293","1","920000","","920000","","","","","6","R -3 :H","-R 3","148","","","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","","Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.","Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","135","145","10.1107/S2052520624001586","","x-ray","0.71073","MoKα","","0.0281","0.0243","","","0.0555","0.057","","","","","","1.084","","","","has coordinates","291107","2024-04-05","23:40:27",""
"2312447","13.8732","0.0006","13.8732","0.0006","9.7282","0.0005","90","","90","","120","","1621.5","0.13","293","1","293","1","980000","","980000","","","","","6","R -3 :H","-R 3","148","","","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","","Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.","Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","135","145","10.1107/S2052520624001586","","x-ray","0.71073","MoKα","","0.0291","0.0246","","","0.0558","0.057","","","","","","1.094","","","","has coordinates","291107","2024-04-05","23:40:27",""
"2312448","13.8347","0.0006","13.8347","0.0006","9.6719","0.0005","90","","90","","120","","1603.18","0.13","293","1","293","1","1130000","","1130000","","","","","6","R -3 :H","-R 3","148","","","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","","Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.","Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","135","145","10.1107/S2052520624001586","","x-ray","0.71073","MoKα","","0.0288","0.025","","","0.0579","0.0588","","","","","","1.087","","","","has coordinates","291107","2024-04-05","23:40:27",""
"2312449","13.8133","0.0008","13.8133","0.0008","9.644","0.0005","90","","90","","120","","1593.61","0.15","293","1","293","1","1250000","","1250000","","","","","6","R -3 :H","-R 3","148","","","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","","Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.","Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","135","145","10.1107/S2052520624001586","","x-ray","0.71073","MoKα","","0.0326","0.0254","","","0.0606","0.0626","","","","","","1.09","","","","has coordinates","291107","2024-04-05","23:40:27",""
"2312450","13.776","0.0008","13.776","0.0008","9.5808","0.0007","90","","90","","120","","1574.63","0.17","293","1","293","1","1460000","","1460000","","","","","6","R -3 :H","-R 3","148","","","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","","Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.","Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","135","145","10.1107/S2052520624001586","","x-ray","0.71073","MoKα","","0.035","0.0273","","","0.0601","0.062","","","","","","1.07","","","","has coordinates","291107","2024-04-05","23:40:27",""
"2312451","13.7392","0.0007","13.7392","0.0007","9.5341","0.0006","90","","90","","120","","1558.59","0.15","293","1","293","1","1610000","","1610000","","","","","6","R -3 :H","-R 3","148","","","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","","Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.","Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","135","145","10.1107/S2052520624001586","","x-ray","0.71073","MoKα","","0.0336","0.0274","","","0.0628","0.0646","","","","","","1.105","","","","has coordinates","291107","2024-04-05","23:40:27",""
"2312452","13.6805","0.0008","13.6805","0.0008","9.4433","0.0006","90","","90","","120","","1530.59","0.16","293","1","293","1","1890000","","1890000","","","","","6","R -3 :H","-R 3","148","","","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","","Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.","Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","135","145","10.1107/S2052520624001586","","x-ray","0.71073","MoKα","","0.039","0.0296","","","0.0677","0.0697","","","","","","1.032","","","","has coordinates","291107","2024-04-05","23:40:27",""
"2312453","13.8103","0.001","13.8103","0.001","9.6615","0.001","90","","90","","120","","1595.8","0.2","293","1","293","1","1230000","","1230000","","","","","6","R -3 :H","-R 3","148","","","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","","Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.","Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","135","145","10.1107/S2052520624001586","","x-ray","0.71073","MoKα","","0.0484","0.0328","","","0.0715","0.075","","","","","","1.002","","","","has coordinates","291107","2024-04-05","23:40:27",""
"2312454","13.8733","0.0011","13.8733","0.0011","9.7541","0.0012","90","","90","","120","","1625.8","0.3","293","1","293","1","950000","","950000","","","","","6","R -3 :H","-R 3","148","","","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","","Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.","Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","135","145","10.1107/S2052520624001586","","x-ray","0.71073","MoKα","","0.0722","0.0522","","","0.1105","0.1181","","","","","","1.043","","","","has coordinates","291107","2024-04-05","23:40:27",""
"2312455","13.9183","0.0009","13.9183","0.0009","9.8453","0.001","90","","90","","120","","1651.7","0.2","293","1","293","1","760000","","760000","","","","","6","R -3 :H","-R 3","148","","","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","","Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.","Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","135","145","10.1107/S2052520624001586","","x-ray","0.71073","MoKα","","0.0508","0.0365","","","0.0835","0.0871","","","","","","1.065","","","","has coordinates","291107","2024-04-05","23:40:27",""
"2312456","14.0337","0.0012","14.0337","0.0012","10.0671","0.0013","90","","90","","120","","1717","0.3","293","1","293","1","300000","","300000","","","","","6","R -3 :H","-R 3","148","","","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","","Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.","Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","135","145","10.1107/S2052520624001586","","x-ray","0.71073","MoKα","","0.0641","0.0362","","","0.0752","0.0802","","","","","","1.017","","","","has coordinates","291107","2024-04-05","23:40:27",""
"2312457","14.1078","0.0008","14.1078","0.0008","10.2256","0.0009","90","","90","","120","","1762.5","0.2","257","3","257","3","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H24 Cl6 O6 Rb Sb -","- C12 H24 Cl6 O6 Rb Sb -","- C36 H72 Cl18 O18 Rb3 Sb3 -","3","0.166667","","Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.","Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","Pt 2","135","145","10.1107/S2052520624001586","","x-ray","0.71073","MoKα","","0.0412","0.0349","","","0.0861","0.0885","","","","","","1.071","","","","has coordinates","291107","2024-04-05","23:40:27",""
"2312458","12.8456","0.0002","5.5803","0.0001","16.7446","0.0003","90","","132.566","0.001","90","","884.01","0.03","223.15","","223.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Propyl-3-(1-propyl-1,2-dihydro-2-oxo-3<i>H</i>-indol-3-ylidene)-1,3-dihydro-2<i>H</i>-indol-2-one","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C44 H44 N4 O4 -","2","0.5","VP3033","Jozuka, Wataru; Kim, Sung Hoon; Matsumoto, Shinya","Three polymorphs of a new N,N'-dipropylated isoindigo derivative.","Acta crystallographica. Section C, Structural chemistry","2024","80","4","","","10.1107/S2053229624002481","","x-ray","1.54184","CuKα","","0.054","0.0505","","","0.1545","0.1591","","","","","","1.097","","","","has coordinates,has Fobs","290609","2024-03-23","03:05:48",""
"2312459","35.4947","0.0009","5.5238","0.0001","18.9927","0.0004","90","","109.151","0.002","90","","3517.73","0.14","223.15","","223.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-Propyl-3-(1-propyl-1,2-dihydro-2-oxo-3<i>H</i>-indol-3-ylidene)-1,3-dihydro-2<i>H</i>-indol-2-one","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C176 H176 N16 O16 -","8","1","VP3033","Jozuka, Wataru; Kim, Sung Hoon; Matsumoto, Shinya","Three polymorphs of a new N,N'-dipropylated isoindigo derivative.","Acta crystallographica. Section C, Structural chemistry","2024","80","4","","","10.1107/S2053229624002481","","x-ray","1.54184","CuKα","","0.0547","0.0513","","","0.1479","0.1523","","","","","","1.051","","","","has coordinates,has Fobs","290609","2024-03-23","03:05:49",""
"2312460","15.0486","0.0002","9.1347","0.0001","18.5227","0.0002","90","","136.112","0.001","90","","1765.16","0.05","223.15","","223.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Propyl-3-(1-propyl-1,2-dihydro-2-oxo-3<i>H</i>-indol-3-ylidene)-1,3-dihydro-2<i>H</i>-indol-2-one","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C88 H88 N8 O8 -","4","1","VP3033","Jozuka, Wataru; Kim, Sung Hoon; Matsumoto, Shinya","Three polymorphs of a new N,N'-dipropylated isoindigo derivative.","Acta crystallographica. Section C, Structural chemistry","2024","80","4","","","10.1107/S2053229624002481","","x-ray","1.54184","CuKα","","0.054","0.0481","","","0.1299","0.1357","","","","","","1.094","","","","has coordinates,has disorder,has Fobs","290609","2024-03-23","03:05:49",""
"2312461","5.8163","0.0001","6.9218","0.0001","15.6295","0.0002","90","","93.354","0.001","90","","628.154","0.016","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ammonium 4-[2-(4-hydroxyphenyl)diazen-1-yl]benzenesulfonate","","- C12 H13 N3 O4 S -","- C12 H13 N3 O4 S -","- C24 H26 N6 O8 S2 -","2","1","DG3051","Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; McCarney, Karen M.; Puissegur, Olivier","Isostructural behaviour in ammonium and potassium salt forms of sulfonated azo dyes.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 3","66","79","10.1107/S2053229624001293","","","1.54184","CuKα","","0.0293","0.0289","","","0.0791","0.0837","","","","","","1.084","","","","has coordinates","291105","2024-04-05","23:15:09",""
"2312462","8.2876","0.0001","10.6404","0.0001","17.4834","0.0003","89.734","0.001","84.793","0.001","86.146","0.001","1531.91","0.04","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","Ammonium 4-[2-(2,4-dihydroxyphenyl)diazen-1-yl]benzenesulfonate dihydrate","","- C12 H17 N3 O7 S -","- C12 H17 N3 O7 S -","- C48 H68 N12 O28 S4 -","4","2","DG3051","Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; McCarney, Karen M.; Puissegur, Olivier","Isostructural behaviour in ammonium and potassium salt forms of sulfonated azo dyes.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 3","66","79","10.1107/S2053229624001293","","","0.71073","MoKα","","0.0492","0.036","","","0.0878","0.0943","","","","","","1.017","","","","has coordinates","291105","2024-04-05","23:15:10",""
"2312463","35.1636","0.0015","7.8905","0.0003","10.4972","0.0005","90","","100.091","0.002","90","","2867.5","0.2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ammonium 4-[2-(4-aminophenyl)diazen-1-yl]benzenesulfonate sesquihydrate","","- C12 H17 N4 O4.5 S -","- C12 H17 N4 O4.5 S -","- C96 H136 N32 O36 S8 -","8","1","DG3051","Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; McCarney, Karen M.; Puissegur, Olivier","Isostructural behaviour in ammonium and potassium salt forms of sulfonated azo dyes.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 3","66","79","10.1107/S2053229624001293","","","0.7107","MoKα","","0.1183","0.0493","","","0.0878","0.105","","","","","","1.016","","","","has coordinates","291105","2024-04-05","23:15:10",""
"2312464","8.4933","0.0001","13.0977","0.0002","17.1657","0.0003","90.97","0.001","103.18","0.001","95.132","0.001","1850.43","0.05","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","Ammonium 4-(2-{4-[bis(2-hydroxyethyl)amino]phenyl}diazen-1-yl)benzenesulfonate monohydrate","","- C16 H24 N4 O6 S -","- C16 H24 N4 O6 S -","- C64 H96 N16 O24 S4 -","4","2","DG3051","Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; McCarney, Karen M.; Puissegur, Olivier","Isostructural behaviour in ammonium and potassium salt forms of sulfonated azo dyes.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 3","66","79","10.1107/S2053229624001293","","","0.71073","MoKα","","0.0865","0.0466","","","0.1047","0.1182","","","","","","1.042","","","","has coordinates,has disorder","291105","2024-04-05","23:15:10",""
"2312465","12.6592","0.0003","28.3597","0.0007","7.1268","0.0002","90","","90","","90","","2558.6","0.11","123","2","123","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Ammonium 3-{2-(4-hydroxyphenyl)diazen-1-yl]benzenesulfonate","","- C12 H13 N3 O4 S -","- C12 H13 N3 O4 S -","- C96 H104 N24 O32 S8 -","8","1","DG3051","Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; McCarney, Karen M.; Puissegur, Olivier","Isostructural behaviour in ammonium and potassium salt forms of sulfonated azo dyes.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 3","66","79","10.1107/S2053229624001293","","","0.71073","MoKα","","0.1043","0.0512","","","0.0983","0.1176","","","","","","1.029","","","","has coordinates","291105","2024-04-05","23:15:11",""
"2312466","5.962","0.0007","7.2033","0.0011","31.929","0.005","83.852","0.014","86.361","0.015","88.868","0.015","1360.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Poly[aqua{4-[2-(4-hydroxyphenyl)diazen-1-yl]benzenesulfonato}potassium]","","- C12 H11 K N2 O5 S -","- C12 H11 K N2 O5 S -","- C48 H44 K4 N8 O20 S4 -","4","2","DG3051","Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; McCarney, Karen M.; Puissegur, Olivier","Isostructural behaviour in ammonium and potassium salt forms of sulfonated azo dyes.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 3","66","79","10.1107/S2053229624001293","","","0.689","synchrotron","","0.0746","0.0598","","","0.1712","0.1795","","","","","","1.021","","","","has coordinates","291105","2024-04-05","23:15:11",""
"2312467","13.3058","0.0002","13.6247","0.0002","18.4664","0.0003","88.373","0.001","73.971","0.001","66.313","0.001","2933.52","0.08","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","Poly[diaqua{4-[2-(4-aminophenyl)diazen-1-yl]benzenesulfonato}potassium]","","- C12 H14 K N3 O5 S -","- C12 H14 K N3 O5 S -","- C96 H112 K8 N24 O40 S8 -","8","4","DG3051","Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; McCarney, Karen M.; Puissegur, Olivier","Isostructural behaviour in ammonium and potassium salt forms of sulfonated azo dyes.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 3","66","79","10.1107/S2053229624001293","","","0.71073","MoKα","","0.0498","0.0358","","","0.0902","0.0976","","","","","","1.029","","","","has coordinates,has disorder","291105","2024-04-05","23:15:11",""
"2312468","9.4006","0.0002","12.1583","0.0003","34.4743","0.0009","90","","95.496","0.001","90","","3922.14","0.16","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[diaqua[4-(2-{4-[bis(2-hydroxyethyl)amino]phenyl}diazen-1-yl)benzenesulfonato]potassium]","","- C16 H22 K N3 O7 S -","- C16 H22 K N3 O7 S -","- C128 H176 K8 N24 O56 S8 -","8","2","DG3051","Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; McCarney, Karen M.; Puissegur, Olivier","Isostructural behaviour in ammonium and potassium salt forms of sulfonated azo dyes.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 3","66","79","10.1107/S2053229624001293","","","0.71073","MoKα","","0.145","0.0599","","","0.0827","0.1024","","","","","","1.014","","","","has coordinates,has disorder","291105","2024-04-05","23:15:11",""
"2312469","12.5535","0.0002","27.9698","0.0005","6.9982","0.0001","90","","90","","90","","2457.2","0.07","123","2","123","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","Poly[(3-{2-(4-hydroxyphenyl)diazen-1-yl]benzenesulfonato)potassium]","","- C12 H9 K N2 O4 S -","- C12 H9 K N2 O4 S -","- C96 H72 K8 N16 O32 S8 -","8","1","DG3051","Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; McCarney, Karen M.; Puissegur, Olivier","Isostructural behaviour in ammonium and potassium salt forms of sulfonated azo dyes.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 3","66","79","10.1107/S2053229624001293","","","0.71073","MoKα","","0.0776","0.0421","","","0.0809","0.0919","","","","","","1.05","","","","has coordinates","291105","2024-04-05","23:15:12",""
"2312470","4.9524","0.0002","11.0302","0.0004","20.9007","0.0007","90","","90","","90","","1141.72","0.07","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Berkecoumarin","(<i>S</i>)-8-Hydroxy-3-(2-hydroxypropyl)-6-methoxy-2<i>H</i>-chromen-2-one","","- C13 H14 O5 -","- C13 H14 O5 -","- C52 H56 O20 -","4","1","YP3233","Decato, Daniel; Palatinus, Lukáš; Stierle, Andrea; Stierle, Donald","Absolute structure determination of Berkecoumarin by X-ray and electron diffraction.","Acta crystallographica. Section C, Structural chemistry","2024","80","5","","","10.1107/S2053229624003061","","x-ray","1.54178","CuKα","","0.0322","0.0272","","","0.0639","0.0671","","","","","","1.065","","","","has coordinates","291175","2024-04-11","02:02:58",""
"2312471","8.9568","0.0003","12.8555","0.0004","12.8951","0.0005","116.349","0.004","91.178","0.003","91.622","0.003","1329.09","0.09","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Bis(acetonitrile)tetrakis(1-benzyl-1<i>H</i>-1,2,4-triazole-κ<i>N</i>^4^)iron(II) μ-oxido-bis[trichloridoferrate(III)] acetonitrile disolvate","","- C44 H48 Cl6 Fe3 N16 O -","- C44 H48 Cl6 Fe3 N16 O -","- C44 H48 Cl6 Fe3 N16 O -","1","0.5","OJ3018","Pacholski, Roman; Durka, Krzysztof; Buchalski, Piotr","Synthesis and crystal structure of an iron triazole complex resulting from the unexpected ligand cleavage of a triazolium carbene precursor.","Acta crystallographica. Section C, Structural chemistry","2024","80","5","","","10.1107/S2053229624002973","","x-ray","1.54184","CuKα","","0.0854","0.0795","","","0.2298","0.2377","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","291224","2024-04-16","02:09:23",""
"2312472","11.2742","0.0005","27.1355","0.0013","21.3644","0.001","90","","90.166","0.002","90","","6536","0.5","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis{hydrotris[3-(furan-2-yl)pyrazol-1-yl]borato}cerium(III) tetraphenylborate dichloromethane disolvate","","- C68 H56 B3 Ce Cl4 N12 O6 -","- C68 H56 B3 Ce Cl4 N12 O6 -","- C272 H224 B12 Ce4 Cl16 N48 O24 -","4","1","UX3004","Thomas, Jarrod R.; Sulway, Scott A.","Borotropic shifting of the [hydrotris(2'-furyl)pyrazol-1-yl]borate ligand in high-coordinate lanthanide complexes.","Acta crystallographica. Section C, Structural chemistry","2024","80","5","","","10.1107/S2053229624003115","","","0.71073","MoKα","","0.0364","0.0316","","","0.0806","0.0851","","","","","","1.064","","","","has coordinates","291251","2024-04-17","02:14:19",""
"2312473","12.1461","0.0007","16.1883","0.0008","17.1795","0.001","102.659","0.002","103.322","0.002","95.948","0.002","3164.6","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","Bis{hydrotris[3-(furan-2-yl)pyrazol-1-yl]borato}dysprosium(III) tetraphenylborate dichloromethane monosolvate","","- C67 H54 B3 Cl2 Dy N12 O6 -","- C67 H54 B3 Cl2 Dy N12 O6 -","- C134 H108 B6 Cl4 Dy2 N24 O12 -","2","1","UX3004","Thomas, Jarrod R.; Sulway, Scott A.","Borotropic shifting of the [hydrotris(2'-furyl)pyrazol-1-yl]borate ligand in high-coordinate lanthanide complexes.","Acta crystallographica. Section C, Structural chemistry","2024","80","5","","","10.1107/S2053229624003115","","","0.71073","MoKα","","0.0521","0.0444","","","0.0977","0.1049","","","","","","1.079","","","","has coordinates,has disorder","291251","2024-04-17","02:14:42",""
"2312474","11.72","0.0004","11.9389","0.0005","21.9139","0.0009","75.579","0.002","76.715","0.001","86.477","0.001","2890.2","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","Bis{hydrobis[3-(furan-2-yl)pyrazol-1-yl][5-(furan-2-yl)pyrazol-1-yl]borato}dysprosium(III) tetraphenylborate","","- C66 H52 B3 Dy N12 O6 -","- C66 H52 B3 Dy N12 O6 -","- C132 H104 B6 Dy2 N24 O12 -","2","1","UX3004","Thomas, Jarrod R.; Sulway, Scott A.","Borotropic shifting of the [hydrotris(2'-furyl)pyrazol-1-yl]borate ligand in high-coordinate lanthanide complexes.","Acta crystallographica. Section C, Structural chemistry","2024","80","5","","","10.1107/S2053229624003115","","","0.71073","MoKα","","0.0362","0.0284","","","0.0586","0.0657","","","","","","1.175","","","","has coordinates","291251","2024-04-17","02:14:47",""
"2312475","11.5036","0.0006","11.5036","0.0006","11.5036","0.0006","90","","90","","90","","1522.3","0.14","293","2","293","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Magnesium nickel germanide","","- Ge29.7 Mg22.3 Ni64 -","- Ge29.704 Mg22.296 Ni64 -","- Ge29.704 Mg22.296 Ni64 -","1","0.00520833","YP3234","Pavlyuk, Nazar; Dmytriv, Grygoriy; Bondaruk, Alina; Ciesielski, Wojciech; Pavlyuk, Volodymyr","Crystal, electronic structure and hydrogenation properties of the Mg<sub>5.57</sub>Ni<sub>16</sub>Ge<sub>7.43</sub> cluster phase with a new type of polyhedron.","Acta crystallographica. Section C, Structural chemistry","2024","80","5","","","10.1107/S2053229624003140","","","0.71073","MoKα","","0.0151","0.0125","","","0.0266","0.0282","","","","","","1.247","","","","has coordinates,has Fobs","291350","2024-04-25","01:59:50",""
"2312476","21.4196","0.0008","6.1927","0.0002","21.9265","0.0008","90","","90","","90","","2908.44","0.18","183","2","183","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,3',5,5'-Tetranitro-4,4'-bipyrazole tetrahydrate","","- C6 H10 N8 O12 -","- C6 H10 N8 O12 -","- C48 H80 N64 O96 -","8","1","VP3035","Domasevitch, Kostiantyn V.; Krautscheid, Harald","Two metastable high hydrates of energetic material 3,3',5,5'-tetranitro-4,4'-bipyrazole.","Acta crystallographica. Section C, Structural chemistry","2024","80","5","","","10.1107/S2053229624003346","","x-ray","1.54186","CuKα","","0.049","0.0352","","","0.0857","0.0923","","","","","","0.903","","","","has coordinates,has Fobs","291377","2024-04-27","01:47:08",""
"2312477","11.2164","0.0005","20.8114","0.0006","6.6646","0.0003","90","","90.435","0.004","90","","1555.67","0.11","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,3',5,5'-Tetranitro-4,4'-bipyrazole pentahydrate","","- C6 H12 N8 O13 -","- C6 H12 N8 O13 -","- C24 H48 N32 O52 -","4","1","VP3035","Domasevitch, Kostiantyn V.; Krautscheid, Harald","Two metastable high hydrates of energetic material 3,3',5,5'-tetranitro-4,4'-bipyrazole.","Acta crystallographica. Section C, Structural chemistry","2024","80","5","","","10.1107/S2053229624003346","","x-ray","1.54186","CuKα","","0.0566","0.046","","","0.1194","0.1276","","","","","","0.998","","","","has coordinates,has Fobs","291377","2024-04-27","01:47:08",""
"2312478","9.6829","0.0004","8.2557","0.0004","21.4992","0.001","90","","95.212","0.003","90","","1711.52","0.14","295","1","295","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[bis(μ-3-aminopropanolato)tetra-μ-cyanido-dicopper(I)dicopper(II)]","","- C10 H16 Cu4 N6 O2 -","- C10 H16 Cu4 N6 O2 -","- C40 H64 Cu16 N24 O8 -","4","0.5","DG3052","Corfield, Peter W. R.; Elsayed, Ahmed; DaCunha, Tristan; Bender, Christopher","Crystal structures, electron spin resonance, and thermogravimetric analysis of three mixed-valence copper cyanide polymers.","Acta crystallographica. Section C, Structural chemistry","2024","80","6","","","10.1107/S2053229624003371","","","0.7107","MoKα","","0.0453","0.0249","","","0.0637","0.0742","","","","","","1.091","","","","has coordinates,has disorder","291489","2024-05-04","01:49:48",""
"2312479","9.3903","0.0004","8.9608","0.0004","9.7986","0.0004","90","","112.134","0.003","90","","763.74","0.06","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[bis(2-aminopropanol)tetra-μ-cyanido-tricopper(I,II)]","","- C10 H18 Cu3 N6 O2 -","- C10 H18 Cu3 N6 O2 -","- C20 H36 Cu6 N12 O4 -","2","0.5","DG3052","Corfield, Peter W. R.; Elsayed, Ahmed; DaCunha, Tristan; Bender, Christopher","Crystal structures, electron spin resonance, and thermogravimetric analysis of three mixed-valence copper cyanide polymers.","Acta crystallographica. Section C, Structural chemistry","2024","80","6","","","10.1107/S2053229624003371","","","0.7107","MoKα","","0.0951","0.0335","","","0.0813","0.1133","","","","","","1.155","","","","has coordinates,has disorder","291489","2024-05-04","01:49:50",""
"2312480","9.5158","0.0002","8.8022","0.0002","9.3589","0.0002","90","","117.358","0.001","90","","696.22","0.03","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[bis(2-aminoethanol)tetra-μ-cyanido-tricopper(II)]","","- C8 H14 Cu3 N6 O2 -","- C8 H14 Cu3 N6 O2 -","- C16 H28 Cu6 N12 O4 -","2","0.5","DG3052","Corfield, Peter W. R.; Elsayed, Ahmed; DaCunha, Tristan; Bender, Christopher","Crystal structures, electron spin resonance, and thermogravimetric analysis of three mixed-valence copper cyanide polymers.","Acta crystallographica. Section C, Structural chemistry","2024","80","6","","","10.1107/S2053229624003371","","","0.7107","MoKα","","0.057","0.0236","","","0.0541","0.0769","","","","","","1.156","","","","has coordinates,has disorder","291489","2024-05-04","01:49:50",""
"2312481","15.0056","0.0005","7.4101","0.0003","9.6803","0.0004","90","","90","","90","","1076.38","0.07","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-bromide-nitrate","nitro-pentaammine-Co(III)-bromide-nitrate","","- Br Co H15 N7 O5 -","- Br Co H15 N7 O5 -","- Br4 Co4 H60 N28 O20 -","4","0.5","","Kalinina, Polina P.; Marchuk, Alexander S.; Sahoo, Subash; Zakharov, Boris A.; Boldyreva, Elena V.","A comparison of the isostructural [Co(NH<sub>3</sub>)<sub>5</sub>NO<sub>2</sub>]XNO<sub>3</sub> and [Co(NH<sub>3</sub>)<sub>5</sub>ONO]XNO<sub>3</sub>, X = Cl<sup>-</sup> or Br<sup>-</sup> in relation to nitro-nitrito linkage isomerization and photomechanical effects.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","3","","","10.1107/S2052520624002816","","","0.71073","MoKα","","0.0635","0.0553","","","0.151","0.1576","","","","","","1.129","","","","has coordinates,has Fobs","291769","2024-05-08","01:53:00",""
"2312482","14.7201","0.0008","7.5516","0.0005","9.6879","0.0007","90","","90","","90","","1076.91","0.12","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitrito-pentaammine-Co(III)-bromide-nitrate","nitrito-pentaammine-Co(III)-bromide-nitrate","","- Br Co H15 N7 O5 -","- Br Co H15 N7 O5 -","- Br4 Co4 H60 N28 O20 -","4","0.5","","Kalinina, Polina P.; Marchuk, Alexander S.; Sahoo, Subash; Zakharov, Boris A.; Boldyreva, Elena V.","A comparison of the isostructural [Co(NH<sub>3</sub>)<sub>5</sub>NO<sub>2</sub>]XNO<sub>3</sub> and [Co(NH<sub>3</sub>)<sub>5</sub>ONO]XNO<sub>3</sub>, X = Cl<sup>-</sup> or Br<sup>-</sup> in relation to nitro-nitrito linkage isomerization and photomechanical effects.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","3","","","10.1107/S2052520624002816","","","0.71073","MoKα","","0.0971","0.0703","","","0.1858","0.2062","","","","","","1.092","","","","has coordinates,has Fobs","291769","2024-05-08","01:53:01",""
"2312483","11.1312","0.0013","11.1312","0.0013","10.894","0.003","90","","90","","90","","1349.8","0.4","298","2","298","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","Diethyl <i>N</i>,<i>N</i>'-(1,3-phenylene)dicarbamate","","- C12 H16 N2 O4 -","- C12 H16 N2 O4 -","- C48 H64 N8 O16 -","4","0.5","ZO3045","González-González, Juan Saulo; Martínez-Santos, Alfonso; Emparán-Legaspi, María José; Pineda-Contreras, Armando; Martínez-Martínez, Francisco Javier; Flores-Alamo, Marcos; García-Ortega, Hector","Molecular structure and selective theophylline complexation by conformational change of diethyl N,N'-(1,3-phenylene)dicarbamate.","Acta crystallographica. Section C, Structural chemistry","2024","80","6","","","10.1107/S2053229624003358","","","0.71073","MoKα","","0.0747","0.0474","","","0.1103","0.1276","","","","","","1.048","","","","has coordinates","291770","2024-05-08","01:54:26",""
"2312484","7.5284","0.0014","11.2362","0.0018","12.2606","0.0012","85.742","0.01","76.887","0.012","79.803","0.015","993.5","0.3","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","Diethyl <i>N</i>,<i>N</i>'-(1,3-phenylene)dicarbamate–theophylline (1/1)","","- C19 H24 N6 O6 -","- C19 H24 N6 O6 -","- C38 H48 N12 O12 -","2","1","ZO3045","González-González, Juan Saulo; Martínez-Santos, Alfonso; Emparán-Legaspi, María José; Pineda-Contreras, Armando; Martínez-Martínez, Francisco Javier; Flores-Alamo, Marcos; García-Ortega, Hector","Molecular structure and selective theophylline complexation by conformational change of diethyl N,N'-(1,3-phenylene)dicarbamate.","Acta crystallographica. Section C, Structural chemistry","2024","80","6","","","10.1107/S2053229624003358","","","0.71073","MoKα","","0.1109","0.0619","","","0.1239","0.1566","","","","","","1.048","","","","has coordinates","291770","2024-05-08","01:54:27",""
"2312485","14.6803","0.0003","8.8743","0.0002","6.9537","0.0007","106.922","0.0001","96.304","0.001","97.55","0.01","848.64","0.09","293","","293","","","","","","","","","4","P -1","-P 1","2","Caffeine–citric acid (1/1)","1,3,7-Trimethyl-2,3,6,7-tetrahydro-1<i>H</i>-purine-2,6-dione–2-hydroxypropane-1,2,3-tricarboxylic acid","","- C14 H18 N4 O9 -","- C14 H18 N4 O9 -","- C28 H36 N8 O18 -","2","1","FP3096","Guerain, Mathieu; Chevreau, Hubert; Guinet, Yannick; Paccou, Laurent; Elkaïm, Erik; Hédoux, Alain","Relationship between synthesis method-crystal structure-melting properties in cocrystals: the case of caffeine-citric acid.","Acta crystallographica. Section C, Structural chemistry","2024","80","6","","","10.1107/S205322962400319X","powder diffraction","x-ray","0.7289","synchrotron","","0.145","0.1266","","0.1366","0.1318","","","","5.3094","","","","","","","has coordinates","291771","2024-05-08","01:54:41",""
"2312486","9.3283","0.0003","9.8379","0.0003","12.9148","0.0003","90","","101.405","0.003","90","","1161.8","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 Cl2 N5 O -","- C9 H9 Cl2 N5 O -","- C36 H36 Cl8 N20 O4 -","4","1","AW5084","Pavlović, Gordana; Lekšić, Edislav; Meštrović, Ernest","Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","3","","","10.1107/S2052520624002567","","","0.71073","MoKα","","0.0576","0.0407","","","0.1093","0.1148","","","","","","0.999","","","","has coordinates","291812","2024-05-11","01:45:15",""
"2312487","7.6894","0.0003","11.3816","0.0004","15.9147","0.0005","90","","92.71","0.003","90","","1391.26","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 Cl2 N5 O -","- C11 H13 Cl2 N5 O -","- C44 H52 Cl8 N20 O4 -","4","1","AW5084","Pavlović, Gordana; Lekšić, Edislav; Meštrović, Ernest","Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","3","","","10.1107/S2052520624002567","","","1.54184","CuKα","","0.0413","0.0387","","","0.1077","0.1102","","","","","","1.064","","","","has coordinates","291812","2024-05-11","01:45:17",""
"2312488","21.268","0.009","10.45","0.003","19.085","0.007","90","","136.662","0.003","90","","2911","1.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H13 Cl2 N5 O -","- C11 H13 Cl2 N5 O -","- C88 H104 Cl16 N40 O8 -","8","1","AW5084","Pavlović, Gordana; Lekšić, Edislav; Meštrović, Ernest","Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","3","","","10.1107/S2052520624002567","","","0.71073","MoKα","","0.0877","0.0413","","","0.0936","0.1034","","","","","","0.817","","","","has coordinates,has disorder","291812","2024-05-11","01:45:17",""
"2312489","7.1227","0.0006","10.6434","0.001","10.9101","0.0013","94.031","0.009","100.823","0.009","107.105","0.008","769.47","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 Cl2 N5 O -","- C12 H13 Cl2 N5 O -","- C24 H26 Cl4 N10 O2 -","2","1","AW5084","Pavlović, Gordana; Lekšić, Edislav; Meštrović, Ernest","Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","3","","","10.1107/S2052520624002567","","","0.71073","MoKα","","0.0527","0.0412","","","0.117","0.1219","","","","","","1.076","","","","has coordinates","291812","2024-05-11","01:45:17",""
"2312490","10.5757","0.001","12.8768","0.0019","15.0121","0.0017","90","","95.258","0.008","90","","2035.8","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 Cl2 N5 O2 -","- C15 H23 Cl2 N5 O2 -","- C60 H92 Cl8 N20 O8 -","4","1","AW5084","Pavlović, Gordana; Lekšić, Edislav; Meštrović, Ernest","Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","3","","","10.1107/S2052520624002567","","","1.54184","CuKα","","0.1367","0.0801","","","0.2146","0.2719","","","","","","0.972","","","","has coordinates,has disorder","291812","2024-05-11","01:45:17",""
"2312491","10.8596","0.0009","11.4487","0.0013","15.5823","0.0014","98.562","0.008","101.242","0.007","115.425","0.01","1655.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H17 Cl2 N5 O -","- C13 H17 Cl2 N5 O -","- C52 H68 Cl8 N20 O4 -","4","2","AW5084","Pavlović, Gordana; Lekšić, Edislav; Meštrović, Ernest","Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","3","","","10.1107/S2052520624002567","","","1.54184","CuKα","","0.097","0.0721","","","0.211","0.2492","","","","","","1.041","","","","has coordinates,has disorder","291812","2024-05-11","01:45:18",""
"2312492","7.437","0.003","10.302","0.003","14.811","0.003","79.7","0.02","85.34","0.03","88.71","0.03","1112.7","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H27 Cl2 N5 O2 -","- C17 H27 Cl2 N5 O2 -","- C34 H54 Cl4 N10 O4 -","2","1","AW5084","Pavlović, Gordana; Lekšić, Edislav; Meštrović, Ernest","Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","3","","","10.1107/S2052520624002567","","","1.54184","CuKα","","0.2764","0.125","","","0.2699","0.353","","","","","","0.827","","","","has coordinates","291812","2024-05-11","01:45:18",""
"2312493","7.6284","0.0008","8.5181","0.0009","14.519","0.0013","84.043","0.008","75.989","0.008","85.943","0.009","909.41","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H21 Cl2 N5 O2 -","- C14 H21 Cl2 N5 O2 -","- C28 H42 Cl4 N10 O4 -","2","1","AW5084","Pavlović, Gordana; Lekšić, Edislav; Meštrović, Ernest","Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","3","","","10.1107/S2052520624002567","","","1.54184","CuKα","","0.0722","0.0624","","","0.1888","0.2036","","","","","","1.06","","","","has coordinates,has disorder","291812","2024-05-11","01:45:18",""
"2312494","10.3096","0.0008","10.6257","0.0006","12.0489","0.0011","74.28","0.006","75.318","0.007","67.161","0.006","1154.46","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H17 Cl2 N7 -","- C23 H17 Cl2 N7 -","- C46 H34 Cl4 N14 -","2","1","AW5084","Pavlović, Gordana; Lekšić, Edislav; Meštrović, Ernest","Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","3","","","10.1107/S2052520624002567","","","1.54184","CuKα","","0.0525","0.043","","","0.1151","0.12","","","","","","0.926","","","","has coordinates","291812","2024-05-11","01:45:18",""
"2312495","7.9855","0.0004","8.6004","0.0005","10.9109","0.0007","69.598","0.006","82.227","0.005","82.015","0.005","692.48","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H10 Cl2 N6 -","- C11 H10 Cl2 N6 -","- C22 H20 Cl4 N12 -","2","1","AW5084","Pavlović, Gordana; Lekšić, Edislav; Meštrović, Ernest","Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","3","","","10.1107/S2052520624002567","","","1.54184","CuKα","","0.0584","0.0564","","","0.1723","0.1758","","","","","","1.047","","","","has coordinates","291812","2024-05-11","01:45:18",""
"2312496","10.6626","0.0003","7.3529","0.0002","19.6714","0.0005","90","","92.096","0.002","90","","1541.23","0.07","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 Cl2 N5 O S -","- C11 H13 Cl2 N5 O S -","- C44 H52 Cl8 N20 O4 S4 -","4","1","AW5084","Pavlović, Gordana; Lekšić, Edislav; Meštrović, Ernest","Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","3","","","10.1107/S2052520624002567","","","1.54184","CuKα","","0.0502","0.0422","","","0.1139","0.1176","","","","","","0.952","","","","has coordinates,has disorder","291812","2024-05-11","01:45:19",""
"2312497","10.2684","0.0012","10.7665","0.0006","14.9036","0.0012","71.197","0.006","78.435","0.008","74.957","0.007","1493.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 Cl4 N10 O3 -","- C24 H26 Cl4 N10 O3 -","- C48 H52 Cl8 N20 O6 -","2","1","AW5084","Pavlović, Gordana; Lekšić, Edislav; Meštrović, Ernest","Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","3","","","10.1107/S2052520624002567","","","1.54184","CuKα","","0.0924","0.0748","","","0.2061","0.2359","","","","","","1.077","","","","has coordinates","291812","2024-05-11","01:45:19",""
"2312498","5.876","0.003","5.876","0.003","9.418","0.005","90","","90","","120","","281.6","0.3","293","","293","","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Ge4 N4 O4 Sn -","- Ge4 N4 O4 Sn -","- Ge8 N8 O8 Sn2 -","2","0.166667","","Gollé-Leidreiter, Philipp; Bhat, Shrikant; Wiehl, Leonore; Wen, Qingbo; Kroll, Peter; Ishikawa, Ryo; Etter, Martin; Farla, Robert; Ikuhara, Yuichi; Riedel, Ralf; Kolb, Ute","Crystal structures of two new high-pressure oxynitrides with composition SnGe<sub>4</sub>N<sub>4</sub>O<sub>4</sub>, from single-crystal electron diffraction.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","3","","","10.1107/S2052520624002683","","electron","0.0197","electron","","0.1001","0.0942","","","0.1053","0.1064","","","","3.5927","3.5927","3.3713","","","","has coordinates","291814","2024-05-11","01:46:12",""
"2312499","5.839","0.001","5.839","0.001","9.365","0.002","90","","90","","120","","276.51","0.09","","","293","","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Ge4.158 N4 O4 Sn0.842 -","- Ge4.16 N4 O4 Sn0.84 -","- Ge8.32 N8 O8 Sn1.68 -","2","0.166667","","Gollé-Leidreiter, Philipp; Bhat, Shrikant; Wiehl, Leonore; Wen, Qingbo; Kroll, Peter; Ishikawa, Ryo; Etter, Martin; Farla, Robert; Ikuhara, Yuichi; Riedel, Ralf; Kolb, Ute","Crystal structures of two new high-pressure oxynitrides with composition SnGe<sub>4</sub>N<sub>4</sub>O<sub>4</sub>, from single-crystal electron diffraction.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","3","","","10.1107/S2052520624002683","","electron","0.0197","electron","","0.1158","0.1125","","","0.1333","0.1337","","","","4.9125","4.9125","4.8307","","","","has coordinates","291814","2024-05-11","01:46:12",""
"2312500","5.846","0.001","5.846","0.001","28.23","0.05","90","","90","","120","","835.5","1.5","","","293","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Ge24 N24 O24 Sn6 -","- Ge24 N24 O24 Sn6 -","- Ge24 N24 O24 Sn6 -","1","0.0277778","","Gollé-Leidreiter, Philipp; Bhat, Shrikant; Wiehl, Leonore; Wen, Qingbo; Kroll, Peter; Ishikawa, Ryo; Etter, Martin; Farla, Robert; Ikuhara, Yuichi; Riedel, Ralf; Kolb, Ute","Crystal structures of two new high-pressure oxynitrides with composition SnGe<sub>4</sub>N<sub>4</sub>O<sub>4</sub>, from single-crystal electron diffraction.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","3","","","10.1107/S2052520624002683","","electron","0.0197","electron","","0.1243","0.1172","","","0.1379","0.1387","","","","5.2215","5.2215","5.0091","","","","has coordinates","291814","2024-05-11","01:46:12",""
"2312501","5.846","0.001","5.846","0.001","28.23","0.005","90","","90","","120","","835.5","0.3","","","293","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Ge24 N24 O24 Sn6 -","- Ge24 N24 O24 Sn6 -","- Ge24 N24 O24 Sn6 -","1","0.0277778","","Gollé-Leidreiter, Philipp; Bhat, Shrikant; Wiehl, Leonore; Wen, Qingbo; Kroll, Peter; Ishikawa, Ryo; Etter, Martin; Farla, Robert; Ikuhara, Yuichi; Riedel, Ralf; Kolb, Ute","Crystal structures of two new high-pressure oxynitrides with composition SnGe<sub>4</sub>N<sub>4</sub>O<sub>4</sub>, from single-crystal electron diffraction.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","3","","","10.1107/S2052520624002683","","electron","0.0197","electron","","0.1651","0.1452","","","0.1591","0.1624","","","","4.3835","4.3835","3.6465","","","","has coordinates","291814","2024-05-11","01:46:13",""
"2312502","19.95","0.03","7.856","0.009","8.98","0.01","90","","100.12","0.02","90","","1386","3","293","","293","","","","","","","","synthesised by authors","5","C 1 2/c 1","-C 2yc","15","","","","- Cs4 H5 O16 P S3 -","- Cs4 H5 O16 P S3 -","- Cs12 H15 O48 P3 S9 -","3","0.375","","Makarova, Irina P.; Isakova, Natalia N.; Kalyukanov, Andrey I.; Gainutdinov, Radmir V.; Tolstikhina, Alla L.; Komornikov, Vladimir A.","Features of the crystal structure and surface of superprotonic conductor caesium hydrogen sulfate phosphate.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","3","","","10.1107/S2052520624003470","","neutron","1.06","neutron","","0.1119","0.1119","","","0.1336","0.1336","","","","3.54","3.54","3.54","","","","has coordinates,has Fobs","291876","2024-05-16","01:51:15",""
"2312503","8.93282","0.0001","12.32698","0.00013","18.86081","0.00019","89.8757","0.0008","85.6122","0.0008","83.5667","0.0009","2057.68","0.04","99.99","0.11","99.99","0.11","","","","","","","","6","P -1","-P 1","2","","Bis[4'-(4-methoxyphenyl)-2,2':6',2''-terpyridine]manganese(II) bis(perchlorate)","","- C44 H34 Cl2 Mn N6 O10 -","- C44 H34 Cl2 Mn N6 O10 -","- C88 H68 Cl4 Mn2 N12 O20 -","2","1","ZO3044","Fajardo, Daniel A.; Arteaga, Danny; Ellena, Javier; Santiago, Pedro H. O.; D'Vries, Richard F; Lenis, Luis Alberto","Synthesis, characterization and structural analysis of complexes from 2,2':6',2''-terpyridine derivatives with transition metals.","Acta crystallographica. Section C, Structural chemistry","2024","80","6","","","10.1107/S2053229624004224","","x-ray","0.71073","MoKα","","0.0358","0.0307","","","0.0798","0.0826","","","","","","1.07","","","","has coordinates,has Fobs","291899","2024-05-17","02:01:41",""
"2312504","9.51026","0.00018","12.5149","0.0002","31.2962","0.0006","90","","96.878","0.0018","90","","3698.07","0.12","100","2","99.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(4'-phenyl-2,2':6',2''-terpyridine)manganese(II) bis(perchlorate)","","- C42 H30 Cl2 Mn N6 O8 -","- C42 H30 Cl2 Mn N6 O8 -","- C168 H120 Cl8 Mn4 N24 O32 -","4","1","ZO3044","Fajardo, Daniel A.; Arteaga, Danny; Ellena, Javier; Santiago, Pedro H. O.; D'Vries, Richard F; Lenis, Luis Alberto","Synthesis, characterization and structural analysis of complexes from 2,2':6',2''-terpyridine derivatives with transition metals.","Acta crystallographica. Section C, Structural chemistry","2024","80","6","","","10.1107/S2053229624004224","","x-ray","0.71073","MoKα","","0.0384","0.0309","","","0.0793","0.0837","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","291899","2024-05-17","02:01:43",""
"2312505","9.3581","0.0002","12.6255","0.0003","31.4046","0.0008","90","","97.038","0.002","90","","3682.52","0.15","99.99","0.14","99.99","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(4'-phenyl-2,2':6',2''-terpyridine)nickel(II) bis(perchlorate)","","- C42 H30 Cl2 N6 Ni O8 -","- C42 H30 Cl2 N6 Ni O8 -","- C168 H120 Cl8 N24 Ni4 O32 -","4","1","ZO3044","Fajardo, Daniel A.; Arteaga, Danny; Ellena, Javier; Santiago, Pedro H. O.; D'Vries, Richard F; Lenis, Luis Alberto","Synthesis, characterization and structural analysis of complexes from 2,2':6',2''-terpyridine derivatives with transition metals.","Acta crystallographica. Section C, Structural chemistry","2024","80","6","","","10.1107/S2053229624004224","","x-ray","0.71073","MoKα","","0.058","0.0373","","","0.0844","0.0937","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","291899","2024-05-17","02:01:43",""
"2312506","17.848","0.002","20.106","0.002","6.5975","0.0008","90","","97.997","0.004","90","","2344.5","0.5","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[tetraaquazinc(II)]-μ-5-carboxybenzene-1,3-dicarboxylato-[tetraaquacalcium(II)]-μ-5-carboxybenzene-1,3-dicarboxylato]","","- C18 H24 Ca O20 Zn -","- C18 H24 Ca O20 Zn -","- C72 H96 Ca4 O80 Zn4 -","4","0.5","JX3081","Chinchan, Kunlanit; Jiajaroen, Suwadee; Theppitak, Chatphorn; Laksee, Sakchai; Sukwattanasinitt, Mongkol; Chainok, Kittipong","Synthesis, structure and photoluminescence properties of heterometallic-based coordination polymers of trimesic acid.","Acta crystallographica. Section C, Structural chemistry","2024","80","6","","","10.1107/S2053229624003528","","x-ray","0.71073","MoKα","","0.0554","0.0443","","","0.1188","0.1305","","","","","","1.094","","","","has coordinates,has Fobs","291900","2024-05-17","02:02:22",""
"2312507","17.875","0.005","20.192","0.004","6.5339","0.0016","90","","98.557","0.009","90","","2332","1","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[tetraaquacobalt(II)]-μ-5-carboxybenzene-1,3-dicarboxylato-[tetraaquacalcium(II)]-μ-5-carboxybenzene-1,3-dicarboxylato]","","- C18 H24 Ca Co O20 -","- C18 H24 Ca Co O20 -","- C72 H96 Ca4 Co4 O80 -","4","0.5","JX3081","Chinchan, Kunlanit; Jiajaroen, Suwadee; Theppitak, Chatphorn; Laksee, Sakchai; Sukwattanasinitt, Mongkol; Chainok, Kittipong","Synthesis, structure and photoluminescence properties of heterometallic-based coordination polymers of trimesic acid.","Acta crystallographica. Section C, Structural chemistry","2024","80","6","","","10.1107/S2053229624003528","","x-ray","0.71073","MoKα","","0.041","0.0278","","","0.0623","0.0684","","","","","","1.047","","","","has coordinates,has Fobs","291900","2024-05-17","02:02:23",""
"2312508","6.9927","0.0009","18.934","0.002","20.808","0.002","90","","90","","90","","2755","0.5","296","","296","","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","Poly[[decaaquabis(μ~3~-benzene-1,3,5-tricarboxylato)calcium(II)dizinc(II)] dihydrate]","","- C18 H30 Ca O24 Zn2 -","- C18 H30 Ca O24 Zn2 -","- C72 H120 Ca4 O96 Zn8 -","4","0.25","JX3081","Chinchan, Kunlanit; Jiajaroen, Suwadee; Theppitak, Chatphorn; Laksee, Sakchai; Sukwattanasinitt, Mongkol; Chainok, Kittipong","Synthesis, structure and photoluminescence properties of heterometallic-based coordination polymers of trimesic acid.","Acta crystallographica. Section C, Structural chemistry","2024","80","6","","","10.1107/S2053229624003528","","x-ray","0.71073","MoKα","","0.0743","0.0398","","","0.0904","0.1117","","","","","","1.059","","","","has coordinates,has Fobs","291900","2024-05-17","02:02:23",""
"2312509","27.7701","0.0008","21.2278","0.0004","9.3888","0.0001","90","","90","","90","","5534.7","0.2","100.01","0.1","100.01","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","","Tetrakis(μ-4-hydroxybenzoato)bis[(dioxane)copper(II)] dioxane tetrasolvate","","- C52 H68 Cu2 O24 -","- C52 H68 Cu2 O24 -","- C208 H272 Cu8 O96 -","4","0.5","JX3083","Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez-Arlt, Robin","Supramolecular hydrogen-bonded networks formed from copper(II) carboxylate dimers.","Acta crystallographica. Section C, Structural chemistry","2024","80","6","","","10.1107/S2053229624004534","","x-ray","1.54184","CuKα","","0.0833","0.0626","","","0.1698","0.1865","","","","","","1.038","","","","has coordinates","292001","2024-05-23","01:50:25",""
"2312510","10.1659","0.0004","10.7383","0.0006","12.9878","0.0004","76.132","0.004","69.646","0.003","75.304","0.004","1267.74","0.1","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","Tetraethylammonium aquatris(μ-4-hydroxybenzoato)methanol(μ-4-oxidobenzoato)dicopper(II) dioxane disolvate","","- C45 H61 Cu2 N O18 -","- C45 H61 Cu2 N O18 -","- C45 H61 Cu2 N O18 -","1","0.5","JX3083","Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez-Arlt, Robin","Supramolecular hydrogen-bonded networks formed from copper(II) carboxylate dimers.","Acta crystallographica. Section C, Structural chemistry","2024","80","6","","","10.1107/S2053229624004534","","","1.54184","CuKα","","0.0727","0.0679","","","0.1951","0.1999","","","","","","1.064","","","","has coordinates,has disorder","292001","2024-05-23","01:50:26",""
"2312511","9.7711","0.0008","10.1924","0.0006","12.5863","0.0007","73.615","0.005","79.528","0.006","83.412","0.006","1179.87","0.14","100","0.11","100","0.11","","","","","","","","5","P -1","-P 1","2","","Triaqua(dioxane)lithium tris(μ-4-hydroxybenzoato)(μ-4-oxidobenzoato)bis[aquacopper(II)] dioxane disolvate monohydrate","","- C40 H49 Cu2 Li O24 -","- C40 H49 Cu2 Li O24 -","- C40 H49 Cu2 Li O24 -","1","0.5","JX3083","Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez-Arlt, Robin","Supramolecular hydrogen-bonded networks formed from copper(II) carboxylate dimers.","Acta crystallographica. Section C, Structural chemistry","2024","80","6","","","10.1107/S2053229624004534","","x-ray","1.54184","CuKα","","0.1141","0.0893","","","0.2416","0.2608","","","","","","1.093","","","","has coordinates,has disorder","292001","2024-05-23","01:50:27",""
"2312512","8.886","0.0018","10.702","0.002","12.36","0.003","73.13","0.03","73.07","0.03","81.68","0.03","1073.8","0.5","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","(1-Aza-4-azoniabicyclo[2.2.2]octane)(1,4-diazabicyclo[2.2.2]octane)tris(μ-4-hydroxybenzoato)(μ-4-oxidobenzoato)dicopper(II) methanol trisolvate","","- C43 H56 Cu2 N4 O15 -","- C20 H22 Cu N2 O6 -","- C40 H44 Cu2 N4 O12 -","2","1","JX3083","Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez-Arlt, Robin","Supramolecular hydrogen-bonded networks formed from copper(II) carboxylate dimers.","Acta crystallographica. Section C, Structural chemistry","2024","80","6","","","10.1107/S2053229624004534","","","0.7108","Synchrotron","","0.1071","0.089","","","0.2433","0.2626","","","","","","1.05","","","","has coordinates,has disorder","292001","2024-05-23","01:50:28",""
"2312513","12.833","0.003","54.548","0.011","12.119","0.002","90","","90","","90","","8483","3","100","0.2","100","0.2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Bis(tetraethylammonium) bis(μ-4-hydroxybenzoato)bis(μ-4-oxidobenzoato)bis[(dioxane)copper(II)] aqua(dioxane)tetrakis(μ-4-hydroxybenzoato)dicopper(II) methanol monosolvate","","- C85 H108 Cu4 N2 O32 -","- C85 H108 Cu4 N2 O32 -","- C340 H432 Cu16 N8 O128 -","4","0.5","JX3083","Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez-Arlt, Robin","Supramolecular hydrogen-bonded networks formed from copper(II) carboxylate dimers.","Acta crystallographica. Section C, Structural chemistry","2024","80","6","","","10.1107/S2053229624004534","","","0.7108","Synchrotron","","0.0592","0.0497","","","0.1405","0.1484","","","","","","1.023","","","","has coordinates,has disorder","292001","2024-05-23","01:50:28",""
"2312514","10.4964","0.0003","10.6595","0.0002","12.3226","0.0003","97.271","0.002","101.042","0.002","108.13","0.002","1260.15","0.06","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","Bis(tetraethylammonium) tetrakis(μ-4-hydroxybenzoato)bis[aquacopper(II)] dinitrate","","- C44 H64 Cu2 N4 O20 -","- C44 H64 Cu2 N4 O20 -","- C44 H64 Cu2 N4 O20 -","1","0.5","JX3083","Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez-Arlt, Robin","Supramolecular hydrogen-bonded networks formed from copper(II) carboxylate dimers.","Acta crystallographica. Section C, Structural chemistry","2024","80","6","","","10.1107/S2053229624004534","","x-ray","1.54184","CuKα","","0.0414","0.0379","","","0.0983","0.1007","","","","","","1.082","","","","has coordinates,has disorder","292001","2024-05-23","01:50:29",""
"2312515","10.2155","0.0002","12.0897","0.0003","15.7111","0.0004","69.581","0.003","75.988","0.002","79.651","0.002","1754.64","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","Bis[8-(dimethylamino)-<i>N</i>,<i>N</i>-dimethylnaphthalen-1-aminium] bis(μ-4-hydroxybenzoato)bis(μ-4-oxidobenzoato)bis[aquacopper(II)] dioxane trisolvate monohydrate","","- C68 H84 Cu2 N4 O21 -","- C56 H60 Cu2 N4 O15 -","- C56 H60 Cu2 N4 O15 -","1","0.5","JX3083","Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez-Arlt, Robin","Supramolecular hydrogen-bonded networks formed from copper(II) carboxylate dimers.","Acta crystallographica. Section C, Structural chemistry","2024","80","6","","","10.1107/S2053229624004534","","x-ray","1.54184","CuKα","","0.0693","0.064","","","0.1831","0.1894","","","","","","1.051","","","","has coordinates","292001","2024-05-23","01:50:30",""
"2312516","11.9851","0.0008","17.7472","0.0011","17.1294","0.001","90","","92.637","0.005","90","","3639.6","0.4","130","0.1","130","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[tetrakis(μ-4-hydroxybenzoato)dicopper(II)]-μ-(4,4-bipyridine <i>N</i>,<i>N</i>'-dioxide)]","","- C38 H30 Cu2 N2 O15 -","- C38 H30 Cu2 N2 O15 -","- C152 H120 Cu8 N8 O60 -","4","0.5","JX3083","Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez-Arlt, Robin","Supramolecular hydrogen-bonded networks formed from copper(II) carboxylate dimers.","Acta crystallographica. Section C, Structural chemistry","2024","80","6","","","10.1107/S2053229624004534","","x-ray","1.54184","CuKα","","0.0365","0.0341","","","0.096","0.0983","","","","","","1.054","","","","has coordinates","292001","2024-05-23","01:50:30",""
"2312517","17.5993","0.0003","16.4583","0.0002","19.7389","0.0002","90","","90","","90","","5717.46","0.13","99.99","0.1","99.99","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tetrakis(μ-4-hydroxybenzoato)bis[(4,4'-bipyridine <i>N</i>,<i>N</i>'-dioxide)copper(II)] dioxane disolvate","","- C56 H52 Cu2 N4 O20 -","- C56 H52 Cu2 N4 O20 -","- C224 H208 Cu8 N16 O80 -","4","0.5","JX3083","Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez-Arlt, Robin","Supramolecular hydrogen-bonded networks formed from copper(II) carboxylate dimers.","Acta crystallographica. Section C, Structural chemistry","2024","80","6","","","10.1107/S2053229624004534","","x-ray","1.54184","CuKα","","0.0568","0.0444","","","0.121","0.1294","","","","","","1.061","","","","has coordinates,has disorder","292001","2024-05-23","01:50:31",""
"2312518","19.4801","0.0002","13.0774","0.0002","34.5443","0.0005","90","","97.702","0.001","90","","8720.7","0.2","100","0.1","100","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","(μ-Acetato)(dioxane)tris(μ-4-hydroxybenzoato)dicopper(II) dioxane 3.5-solvate","","- C41 H54 Cu2 O20 -","- C31 H34 Cu2 O15 -","- C248 H272 Cu16 O120 -","8","1","JX3083","Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez-Arlt, Robin","Supramolecular hydrogen-bonded networks formed from copper(II) carboxylate dimers.","Acta crystallographica. Section C, Structural chemistry","2024","80","6","","","10.1107/S2053229624004534","","x-ray","1.54184","CuKα","","0.0789","0.0649","","","0.1813","0.1913","","","","","","1.091","","","","has coordinates","292001","2024-05-23","01:50:31",""
"2312519","9.7404","0.0003","20.3001","0.0004","22.9088","0.0007","90","","118.494","0.004","90","","3981.1","0.2","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","Bis(μ-acetato)bis(μ-4-hydroxybenzoato)bis[(1,4-diazabicyclo[2.2.2]octane)\ copper(II)] dioxane decasolvate","","- C70 H120 Cu2 N4 O30 -","- C70 H120 Cu2 N4 O30 -","- C140 H240 Cu4 N8 O60 -","2","1","JX3083","Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez-Arlt, Robin","Supramolecular hydrogen-bonded networks formed from copper(II) carboxylate dimers.","Acta crystallographica. Section C, Structural chemistry","2024","80","6","","","10.1107/S2053229624004534","","x-ray","1.54184","CuKα","","0.1096","0.0978","","","0.2704","0.2874","","","","","","1.208","","","","has coordinates,has disorder","292001","2024-05-23","01:50:32",""
"2312520","15.3994","0.0005","10.6592","0.0003","16.9261","0.0006","90","","110.424","0.004","90","","2603.68","0.16","130","0.1","130","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Aza-4-azoniabicyclo[2.2.2]octane 4-hydroxybenzoate","","- C13 H18 N2 O3 -","- C13 H18 N2 O3 -","- C104 H144 N16 O24 -","8","2","JX3083","Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez-Arlt, Robin","Supramolecular hydrogen-bonded networks formed from copper(II) carboxylate dimers.","Acta crystallographica. Section C, Structural chemistry","2024","80","6","","","10.1107/S2053229624004534","","x-ray","1.54184","CuKα","","0.0688","0.0441","","","0.1053","0.1201","","","","","","1.011","","","","has coordinates","292001","2024-05-23","01:50:38",""
"2312521","10.036","0.004","10.664","0.003","11.276","0.004","83.54","0.009","64.178","0.009","89.593","0.009","1078.2","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Ethylene bis(triflate)","Ethane-1,2-diyl bis(trifluoromethanesulfonate)","","- C4 H4 F6 O6 S2 -","- C4 H4 F6 O6 S2 -","- C16 H16 F24 O24 S8 -","4","2","OJ3019","Pickl, Thomas; Zuber, Julian; Stephan, Johannes; Pöthig, Alexander","Crystal structure elucidation of a geminal and vicinal bis(trifluoromethanesulfonate) ester.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 7","278","283","10.1107/S2053229624005230","","x-ray","0.71073","MoKα","","0.0941","0.0658","","","0.149","0.1657","","","","","","1.073","","","","has coordinates","293983","2024-08-06","22:02:58",""
"2312522","8.9822","0.0012","4.9413","0.0006","10.94","0.0014","90","","102.406","0.005","90","","474.22","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Methylene bis(triflate)","Methanediyl bis(trifluoromethanesulfonate)","","- C3 H2 F6 O6 S2 -","- C3 H2 F6 O6 S2 -","- C6 H4 F12 O12 S4 -","2","1","OJ3019","Pickl, Thomas; Zuber, Julian; Stephan, Johannes; Pöthig, Alexander","Crystal structure elucidation of a geminal and vicinal bis(trifluoromethanesulfonate) ester.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 7","278","283","10.1107/S2053229624005230","","x-ray","0.71073","MoKα","","0.0289","0.0271","","","0.069","0.0719","","","","","","1.054","","","","has coordinates","293983","2024-08-06","22:02:58",""
"2312523","6.316","0.0002","9.6925","0.0002","13.7463","0.0002","97.336","0.001","99.662","0.002","93.52","0.002","819.83","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","(±)-Pinenyllithium tetramethylethylenediamine","(Tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')(η^3^-2,6,6-\ trimethylbicyclo[3.1.1]heptyl)lithium","","- C16 H31 Li N2 -","- C16 H31 Li N2 -","- C32 H62 Li2 N4 -","2","1","OJ3017","Erickson, Alexander N.; Haltiwanger, Curtis; Rahim, Masoumeh; Garner, Charles M.","Preferential crystallization of (±)-pinenyllithium·TMEDA.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 7","297","301","10.1107/S2053229624004662","","x-ray","1.54184","CuKα","","0.0402","0.0387","","","0.1062","0.1075","","","","","","1.089","","","","has coordinates,has Fobs","293981","2024-08-06","22:02:44",""
"2312524","9.9714","0.0004","9.8671","0.0003","11.1884","0.0004","90","","90","","90","","1100.81","0.07","101","2","101","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Ammonium 2-amminomalonate","Ammonium 2-azaniumylpropanedioate","","- C3 H8 N2 O4 -","- C3 H8 N2 O4 -","- C24 H64 N16 O32 -","8","1","WV3014","Hollenwäger, Dirk; Nitzer, Alexander; Bockmair, Valentin; Kornath, Andreas J.","The crystal structure of the ammonium salt of 2-aminomalonic acid.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 7","291","296","10.1107/S2053229624005576","","","0.71073","MoKα","","0.0404","0.0386","","","0.1113","0.1126","","","","","","1.203","","","","has coordinates","293982","2024-08-06","22:02:51",""
"2312525","6.8383","0.0002","7.2272","0.0002","9.7427","0.0002","82.921","0.001","76.809","0.001","82.043","0.001","462.18","0.02","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Bis(2-amino-3-methylpyridinium) fumarate dihydrate","Bis(2-amino-3-methylpyridin-1-ium) (2<i>E</i>)-but-2-enedioate dihydrate","","- C16 H24 N4 O6 -","- C16 H24 N4 O6 -","- C16 H24 N4 O6 -","1","0.5","EF3056","Balasubramanian, Hemalatha; Ashraf, Aarifa Muhammed; Karuppannan, Srikanth; Poomani, Kumaradhas","Synthesis and structural investigation of salts of 2-amino-3-methylpyridine with carboxylic acid derivatives: an experimental and theoretical study.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 7","302","310","10.1107/S2053229624005473","","x-ray","0.71073","MoKα","","0.0429","0.0406","","","0.1235","0.1267","","","","","","1.076","","","","has coordinates,has Fobs","293984","2024-08-06","22:03:06",""
"2312526","11.7399","0.0002","8.3731","0.0001","13.6779","0.0002","90","","106.782","0.001","90","","1287.27","0.03","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-Amino-3-methylpyridinium 5-chlorosalicylate","2-Amino-3-methylpyridin-1-ium 5-chloro-2-hydroxybenzoate","","- C13 H13 Cl N2 O3 -","- C13 H13 Cl N2 O3 -","- C52 H52 Cl4 N8 O12 -","4","1","EF3056","Balasubramanian, Hemalatha; Ashraf, Aarifa Muhammed; Karuppannan, Srikanth; Poomani, Kumaradhas","Synthesis and structural investigation of salts of 2-amino-3-methylpyridine with carboxylic acid derivatives: an experimental and theoretical study.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 7","302","310","10.1107/S2053229624005473","","x-ray","0.71073","MoKα","","0.0389","0.0353","","","0.1038","0.1067","","","","","","1.045","","","","has coordinates,has Fobs","293984","2024-08-06","22:03:06",""
"2312527","10.5442","0.0006","21.1741","0.0013","21.9326","0.0013","90","","97.528","0.005","90","","4854.6","0.5","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Carbonylhydrido(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>)bis(triphenylphosphane-κ<i>P</i>)ruthenium(II) hexafluoridophosphate","","- C49 H39 F6 N2 O P3 Ru -","- C49 H39 F6 N2 O P3 Ru -","- C196 H156 F24 N8 O4 P12 Ru4 -","4","1","YD3043","Wysocki, Waldemar; Kamecka, Anna; Karczmarzyk, Zbigniew","Synthesis and structural characterizations of three carbonyl(α-diimine)hydrido(triphenylphosphine)ruthenium(II) complexes with derivatives of 1,10-phenanthroline.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 7","319","330","10.1107/S2053229624005898","","","0.71073","MoKα","","0.1197","0.0596","","","0.1175","0.146","","","","","","1.022","","","","has coordinates,has Fobs","293980","2024-08-06","22:02:36",""
"2312528","11.7657","0.0015","14.1033","0.0016","14.9728","0.0016","94.141","0.009","97.381","0.01","111.957","0.011","2265.6","0.5","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","Carbonylhydrido(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>)bis(triphenylphosphane-κ<i>P</i>)ruthenium(II) hexafluoridophosphate","","- C51 H43 F6 N2 O P3 Ru -","- C51 H37 F6 N2 O P3 Ru -","- C102 H74 F12 N4 O2 P6 Ru2 -","2","1","YD3043","Wysocki, Waldemar; Kamecka, Anna; Karczmarzyk, Zbigniew","Synthesis and structural characterizations of three carbonyl(α-diimine)hydrido(triphenylphosphine)ruthenium(II) complexes with derivatives of 1,10-phenanthroline.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 7","319","330","10.1107/S2053229624005898","","","0.71073","MoKα","","0.132","0.0856","","","0.2088","0.2609","","","","","","0.991","","","","has coordinates,has disorder,has Fobs","293980","2024-08-06","22:02:36",""
"2312529","14.9624","0.0008","21.9572","0.0007","17.1148","0.0009","90","","109.266","0.006","90","","5307.9","0.5","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Carbonylhydrido(4,7-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>)bis(triphenylphosphane-κ<i>P</i>)ruthenium(II) hexafluoridophosphate","","- C51 H43 F6 N2 O P3 Ru -","- C51 H43 F6 N2 O P3 Ru -","- C204 H172 F24 N8 O4 P12 Ru4 -","4","1","YD3043","Wysocki, Waldemar; Kamecka, Anna; Karczmarzyk, Zbigniew","Synthesis and structural characterizations of three carbonyl(α-diimine)hydrido(triphenylphosphine)ruthenium(II) complexes with derivatives of 1,10-phenanthroline.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 7","319","330","10.1107/S2053229624005898","","","0.71073","MoKα","","0.0709","0.0473","","","0.1105","0.1253","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","293980","2024-08-06","22:02:36",""
"2312530","21.609","0.004","8.198","0.003","24.151","0.003","90","","100.17","0.013","90","","4211.1","1.8","220","2","220","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(μ-1,4,10,13-Tetrathia-7,16-diazacyclooctadecane)bis[iodidopalladium(II)] diiodide penta(diiodine)","","- C12 H26 I14 N2 Pd2 S4 -","- C12 H26 I14 N2 Pd2 S4 -","- C48 H104 I56 N8 Pd8 S16 -","4","0.5","VP3036","Blake, Alexander J.; Castellano, Carlo; Lippolis, Vito; Podda, Enrico; Schröder, Martin","Formation of extended polyiodides at large cation templates.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 7","311","318","10.1107/S2053229624004194","","","0.71073","MoKα","","0.0634","0.0506","","","0.1239","0.1361","","","","","","1.079","","","","has coordinates,has disorder","293985","2024-08-06","22:03:14",""
"2312531","13.831","0.002","14.82","0.002","20.266","0.003","90","","96.7","0.01","90","","4125.7","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4,7,13,16,21,24-Hexaoxa-1,10-diazoniabicyclo[8.8.8]hexacosane triiodide iodide hemipenta(diiodine) dichloromethane monosolvate","","- C19 H40 Cl2 I9 N2 O6 -","- C19 H40 Cl2 I9 N2 O6 -","- C76 H160 Cl8 I36 N8 O24 -","4","1","VP3036","Blake, Alexander J.; Castellano, Carlo; Lippolis, Vito; Podda, Enrico; Schröder, Martin","Formation of extended polyiodides at large cation templates.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 7","311","318","10.1107/S2053229624004194","","","0.71073","MoKα","","0.0621","0.0328","","","0.0757","0.0878","","","","","","1.003","","","","has coordinates","293985","2024-08-06","22:03:14",""
"2312532","4.7599","0.0001","14.3223","0.0005","16.6515","0.0005","90","","90.022","0.002","90","","1135.18","0.06","260","2","260","2","","","","","","","","4","P 1 21 1","P 2yb","4","Methyl β-chitobioside methanol monosolvate","Methyl 2-acetamido-2-deoxy-β-<i>D</i>-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-β-<i>D</i>-glucopyranoside methanol monosolvate","","- C18 H34 N2 O12 -","- C18 H34 N2 O12 -","- C36 H68 N4 O24 -","2","1","DG3055","Shit, Pradip; Tetrault, Timothy; Zhang, Wenhui; Yoon, Mi Kyung; Oliver, Allen G.; Serianni, Anthony S.","Conformational disorder in the crystal structure of methyl 2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranoside (methyl β-chitobioside) methanol monosolvate.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 7","331","336","10.1107/S2053229624005199","","x-ray","1.54178","CuKα","","0.0316","0.0312","","","0.0796","0.0801","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","293986","2024-08-06","22:03:20",""
"2312533","14.4914","0.0001","5.1924","0.0001","19.8863","0.0001","90","","91.457","0.001","90","","1495.86","0.03","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 N6 O3 S3 -","- C9 H12 N6 O3 S3 -","- C36 H48 N24 O12 S12 -","4","1","AW5087","Ben, Anna; Hoelm, Marta; Chęcińska, Lilianna","Supramolecular architectures in multicomponent crystals of imidazole-based drugs and trithiocyanuric acid.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","4","294","304","10.1107/S2052520624005055","","x-ray","1.54184","CuKα","","0.0269","0.0255","","","0.072","0.0732","","","","","","1.061","","","","has coordinates","293979","2024-08-06","22:02:20",""
"2312534","13.0291","0.0001","10.9297","0.0001","23.8029","0.0003","90","","102.897","0.001","90","","3304.12","0.06","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31.32 Cl2 N7 O4.16 S3 -","- C29 H31.32 Cl2 N7 O4.16 S3 -","- C116 H125.28 Cl8 N28 O16.64 S12 -","4","1","AW5087","Ben, Anna; Hoelm, Marta; Chęcińska, Lilianna","Supramolecular architectures in multicomponent crystals of imidazole-based drugs and trithiocyanuric acid.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","4","294","304","10.1107/S2052520624005055","","x-ray","1.54184","CuKα","","0.0612","0.0573","","","0.1289","0.1307","","","","","","1.131","","","","has coordinates,has disorder","293979","2024-08-06","22:02:20",""
"2312535","8.7764","0.0003","15.8851","0.0006","16.5229","0.0006","88.869","0.003","80.569","0.003","74.929","0.003","2193.6","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H31 Cl8 N7 O2 S3 -","- C39 H31 Cl8 N7 O2 S3 -","- C78 H62 Cl16 N14 O4 S6 -","2","1","AW5087","Ben, Anna; Hoelm, Marta; Chęcińska, Lilianna","Supramolecular architectures in multicomponent crystals of imidazole-based drugs and trithiocyanuric acid.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","4","294","304","10.1107/S2052520624005055","","x-ray","1.54184","CuKα","","0.056","0.0481","","","0.1371","0.1424","","","","","","1.072","","","","has coordinates","293979","2024-08-06","22:02:20",""
"2312536","7.7281","0.0003","16.8523","0.0006","18.0339","0.0007","90","","96.696","0.001","90","","2332.65","0.15","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dicarbonyl[η^5^-1-(methylsulfanyl)cyclopentadienyl](triphenylphosphane-κ<i>P</i>)manganese","","- C26 H22 Mn O2 P S -","- C26 H22 Mn O2 P S -","- C104 H88 Mn4 O8 P4 S4 -","4","1","QF3063","Klein-Hessling, Christian; Blockhaus, Tobias; Sünkel, Karlheinz","Synthesis, spectroscopic and crystallographic characterization of various cymantrenyl thioethers [Mn{C<sub>5</sub>H<sub>x</sub>Br<sub>y</sub>(SMe)<sub>z</sub>}(PPh<sub>3</sub>)(CO)<sub>2</sub>].","Acta crystallographica. Section C, Structural chemistry","2024","80","8","","","10.1107/S205322962400603X","","","0.71073","MoKα","","0.0344","0.0276","","","0.0757","0.081","","","","","","1.051","","","","has coordinates","293324","2024-07-09","02:02:29",""
"2312537","16.5563","0.0007","16.2392","0.0007","19.3372","0.0009","90","","90","","90","","5199","0.4","108","2","108","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Dicarbonyl[η^5^-2-bromo-1,3-bis(methylsulfanyl)cyclopentadienyl](triphenylphosphane-κ<i>P</i>)manganese","","- C27 H23 Br Mn O2 P S2 -","- C27 H23 Br Mn O2 P S2 -","- C216 H184 Br8 Mn8 O16 P8 S16 -","8","1","QF3063","Klein-Hessling, Christian; Blockhaus, Tobias; Sünkel, Karlheinz","Synthesis, spectroscopic and crystallographic characterization of various cymantrenyl thioethers [Mn{C<sub>5</sub>H<sub>x</sub>Br<sub>y</sub>(SMe)<sub>z</sub>}(PPh<sub>3</sub>)(CO)<sub>2</sub>].","Acta crystallographica. Section C, Structural chemistry","2024","80","8","","","10.1107/S205322962400603X","","","0.71073","MoKα","","0.0488","0.0348","","","0.0792","0.0878","","","","","","1.072","","","","has coordinates","293324","2024-07-09","02:02:29",""
"2312538","8.7717","0.0004","13.2135","0.0006","23.9428","0.0012","90","","92.884","0.002","90","","2771.6","0.2","108","2","108","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Dicarbonyl[η^5^-2-bromo-1,3,4-tris(methylsulfanyl)cyclopentadienyl](triphenylphosphane-κ<i>P</i>)manganese","","- C28 H25 Br Mn O2 P S3 -","- C28 H25 Br Mn O2 P S3 -","- C112 H100 Br4 Mn4 O8 P4 S12 -","4","1","QF3063","Klein-Hessling, Christian; Blockhaus, Tobias; Sünkel, Karlheinz","Synthesis, spectroscopic and crystallographic characterization of various cymantrenyl thioethers [Mn{C<sub>5</sub>H<sub>x</sub>Br<sub>y</sub>(SMe)<sub>z</sub>}(PPh<sub>3</sub>)(CO)<sub>2</sub>].","Acta crystallographica. Section C, Structural chemistry","2024","80","8","","","10.1107/S205322962400603X","","","0.71073","MoKα","","0.0448","0.0329","","","0.0671","0.0712","","","","","","1.104","","","","has coordinates,has disorder","293324","2024-07-09","02:02:29",""
"2312539","12.5274","0.0005","13.6748","0.0005","17.9841","0.0007","90","","107.934","0.001","90","","2931.2","0.2","107","2","107","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dicarbonyl[η^5^-1,2,3,4,5-pentakis(methylsulfanyl)cyclopentadienyl](triphenylphosphane-κ<i>P</i>)manganese","","- C30 H30 Mn O2 P S5 -","- C30 H30 Mn O2 P S5 -","- C120 H120 Mn4 O8 P4 S20 -","4","1","QF3063","Klein-Hessling, Christian; Blockhaus, Tobias; Sünkel, Karlheinz","Synthesis, spectroscopic and crystallographic characterization of various cymantrenyl thioethers [Mn{C<sub>5</sub>H<sub>x</sub>Br<sub>y</sub>(SMe)<sub>z</sub>}(PPh<sub>3</sub>)(CO)<sub>2</sub>].","Acta crystallographica. Section C, Structural chemistry","2024","80","8","","","10.1107/S205322962400603X","","","0.71073","MoKα","","0.0408","0.03","","","0.0695","0.0757","","","","","","1.041","","","","has coordinates","293324","2024-07-09","02:02:30",""
"2312540","10.3309","0.0005","10.7727","0.0005","13.0821","0.0006","87.692","0.002","82.138","0.002","62.507","0.002","1278.93","0.11","108","","108","2","","","","","","","","7","P -1","-P 1","2","","Dicarbonyl[η^5^-1-bromo-2-(methylsulfanyl)cyclopentadienyl](triphenylphosphane-κ<i>P</i>)manganese cyclohexane 0.75-solvate","","- C56.5 H51 Br2 Mn2 O4 P2 S2 -","- C56.5 H51 Br2 Mn2 O4 P2 S2 -","- C56.5 H51 Br2 Mn2 O4 P2 S2 -","1","0.5","QF3063","Klein-Hessling, Christian; Blockhaus, Tobias; Sünkel, Karlheinz","Synthesis, spectroscopic and crystallographic characterization of various cymantrenyl thioethers [Mn{C<sub>5</sub>H<sub>x</sub>Br<sub>y</sub>(SMe)<sub>z</sub>}(PPh<sub>3</sub>)(CO)<sub>2</sub>].","Acta crystallographica. Section C, Structural chemistry","2024","80","8","","","10.1107/S205322962400603X","","","0.71073","MoKα","","0.0765","0.0662","","","0.1635","0.1701","","","","","","1.031","","","","has coordinates,has disorder","293324","2024-07-09","02:02:30",""
"2312541","10.792","0.0002","18.713","0.0004","23.299","0.0005","90","","90","","90","","4705.25","0.17","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Etoricoxib–benzoic acid (1/1)","5-Chloro-2-(6-methylpyridin-3-yl)-3-[4-(methylsulfonyl)phenyl]pyridine–\ benzoic acid","","- C25 H21 Cl N2 O4 S -","- C25 H21 Cl N2 O4 S -","- C200 H168 Cl8 N16 O32 S8 -","8","1","YP3237","Ma, Yu Heng; Yang, Kang; Qian, Yan Ling; Hong, Wei Pu; Zhang, Kai Yue; Tao, Zhen Wei; Meng, Hui; Ma, Wen Jing","Supramolecular interactions in cocrystals of benzoic acid derivatives with selective COX-2 inhibitor etoricoxib.","Acta crystallographica. Section C, Structural chemistry","2024","80","8","","","10.1107/S2053229624006193","","","0.71073","MoKα","","0.1591","0.0681","","","0.1426","0.1922","","","","","","1.015","","","","has coordinates,has Fobs","293325","2024-07-09","02:03:10",""
"2312542","10.536","0.002","19.246","0.004","23.343","0.005","90","","90","","90","","4733.4","1.7","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","Etoricoxib–4-fluorobenzoic acid (1/1)","5-Chloro-2-(6-methylpyridin-3-yl)-3-[4-(methylsulfonyl)phenyl]pyridine–\ 4-fluorobenzoic acid","","- C25 H20 Cl F N2 O4 S -","- C25 H20 Cl F N2 O4 S -","- C200 H160 Cl8 F8 N16 O32 S8 -","8","1","YP3237","Ma, Yu Heng; Yang, Kang; Qian, Yan Ling; Hong, Wei Pu; Zhang, Kai Yue; Tao, Zhen Wei; Meng, Hui; Ma, Wen Jing","Supramolecular interactions in cocrystals of benzoic acid derivatives with selective COX-2 inhibitor etoricoxib.","Acta crystallographica. Section C, Structural chemistry","2024","80","8","","","10.1107/S2053229624006193","","","0.71073","MoKα","","0.159","0.0733","","","0.1528","0.1909","","","","","","1.02","","","","has coordinates,has Fobs","293325","2024-07-09","02:03:19",""
"2312543","7.489","0.0015","8.302","0.0017","21.384","0.004","93.03","0.03","91.61","0.03","111.17","0.03","1236.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Etoricoxib–4-nitrobenzoic acid (1/1)","5-Chloro-2-(6-methylpyridin-3-yl)-3-[4-(methylsulfonyl)phenyl]pyridine–4-nitrobenzoic acid (1/1)","","- C25 H20 Cl N3 O6 S -","- C25 H20 Cl N3 O6 S -","- C50 H40 Cl2 N6 O12 S2 -","2","1","YP3237","Ma, Yu Heng; Yang, Kang; Qian, Yan Ling; Hong, Wei Pu; Zhang, Kai Yue; Tao, Zhen Wei; Meng, Hui; Ma, Wen Jing","Supramolecular interactions in cocrystals of benzoic acid derivatives with selective COX-2 inhibitor etoricoxib.","Acta crystallographica. Section C, Structural chemistry","2024","80","8","","","10.1107/S2053229624006193","","","0.71073","MoKα","","0.0865","0.0577","","","0.1381","0.158","","","","","","1.04","","","","has coordinates,has Fobs","293325","2024-07-09","02:03:21",""
"2312544","3.8047","0.0001","11.0101","0.0004","15.4968","0.0006","79.535","0.001","89.223","0.001","82.88","0.001","633.42","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>-(3,4-difluorophenyl)-1-(pyridin-4-yl)methanimine; acetic acid","","- C14 H12 F2 N2 O2 -","- C14 H12 F2 N2 O2 -","- C28 H24 F4 N4 O4 -","2","1","DG3053","Sánchez-Pacheco, Addi Dana; Huerta, Eduardo H.; Espinosa-Camargo, Josué Benjamín; Rodríguez-Nájera, Evelyn Valeria; Martínez-Otero, Diego; Hernández-Ortega, Simón; Valdés-Martínez, Jesús","Using cocrystals as a tool to study non-crystallizing molecules: crystal structure, Hirshfeld surface analysis and computational study of the 1:1 cocrystal of (E)-N-(3,4-difluorophenyl)-1-(pyridin-4-yl)methanimine and acetic acid.","Acta crystallographica. Section C, Structural chemistry","2024","80","8","","","10.1107/S2053229624005187","","","0.71073","MoKα","","0.0417","0.0375","","","0.106","0.1096","","","","","","1.06","","","","has coordinates","293326","2024-07-09","02:03:40",""
"2312545","13.0541","0.0007","13.4304","0.0007","13.1257","0.0007","90","","115.354","0.002","90","","2079.57","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[(Benzo-1,3-dioxol-5-yl)amino]-4-methoxycyclobut-3-ene-1,2-dione","","- C12 H9 N O5 -","- C12 H9 N O5 -","- C96 H72 N8 O40 -","8","2","VP3038","Palme, Paul R.; Goddard, Richard; Richter, Adrian; Imming, Peter; Seidel, Rüdiger W","3-[(Benzo-1,3-dioxol-5-yl)amino]-4-methoxycyclobut-3-ene-1,2-dione: polymorphism and twinning of a precursor to an antimycobacterial squaramide.","Acta crystallographica. Section C, Structural chemistry","2024","80","8","","","10.1107/S2053229624006211","","","0.71073","Mo-Kα","","0.0468","0.0303","","","0.0665","0.0801","","","","","","1.1119","","","","has coordinates","293327","2024-07-09","02:04:00",""
"2312546","3.7001","0.0004","12.4583","0.0015","22.846","0.003","89.55","0.008","86.967","0.006","81.46","0.006","1040","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-[(Benzo-1,3-dioxol-5-yl)amino]-4-methoxycyclobut-3-ene-1,2-dione","","- C12 H9 N O5 -","- C12 H9 N O5 -","- C48 H36 N4 O20 -","4","2","VP3038","Palme, Paul R.; Goddard, Richard; Richter, Adrian; Imming, Peter; Seidel, Rüdiger W","3-[(Benzo-1,3-dioxol-5-yl)amino]-4-methoxycyclobut-3-ene-1,2-dione: polymorphism and twinning of a precursor to an antimycobacterial squaramide.","Acta crystallographica. Section C, Structural chemistry","2024","80","8","","","10.1107/S2053229624006211","","","0.71073","MoKα","","0.0903","0.0643","","","0.1551","0.1699","","","","","","1.036","","","","has coordinates","293327","2024-07-09","02:04:00",""
"2312547","15.3967","0.0001","30.6741","0.0002","16.0612","0.0001","90","","90.172","0.001","90","","7585.35","0.08","220","2","220","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tetrabutylammonium aqua[<i>N</i>-(2,4,6-trimethylphenyl)oxamato]erbium(III)–dimethylsulfoxide–water (1/3/1.5)","","- C66 H106 Er N5 O17.5 S3 -","- C66 H106 Er N5 O17.524 S3 -","- C264 H424 Er4 N20 O70.096 S12 -","4","1","DG3058","Araujo Junior, Cleber R.; Oliveira, Willian X. C.; Pinheiro, Carlos B.; Pedroso, Emerson F.; Nunes, Wallace C.; Almeida, Adriele A de; Knobel, Marcelo; Julve, Miguel; Pereira, Cynthia L. M.","Crystal structure and cryomagnetic study of a mononuclear erbium(III) oxamate inclusion complex.","Acta crystallographica. Section C, Structural chemistry","2024","80","8","","","10.1107/S2053229624005977","","","1.54184","CuKα","","0.0424","0.0372","","","0.0962","0.1005","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","293365","2024-07-11","01:50:07",""
"2312548","16.5337","0.0009","13.2578","0.0007","13.4575","0.0007","90","","90","","90","","2949.9","0.3","294","2","294","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","<i>catena</i>-Poly[[[4-bromo-2-((<i>Z</i>)-{[2-(thiophen-2-yl)ethyl]imino}methyl)phenolato-κ^2^<i>N</i>,<i>O</i>]cobalt(III)]-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>]","","- C27 H22 Br2 Co N3 O2 S3 -","- C27 H22 Br2 Co N3 O2 S3 -","- C108 H88 Br8 Co4 N12 O8 S12 -","4","1","VX3004","Mandal, Uttam; Rizzoli, Corrado; Chakraborty, Bikash; Bandyopadhyay, Debasis; Mandal, Santanu","A novel one-dimensional thiocyanate-bridged cobalt(III) complex: synthesis, crystal structure characterization and Hirshfeld surface analysis.","Acta crystallographica. Section C, Structural chemistry","2024","80","8","","","10.1107/S2053229624006375","","","0.71073","MoKα","","0.0358","0.0332","","","0.094","0.0956","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","293366","2024-07-11","01:50:33",""
"2312549","12.3786","0.0003","7.2189","0.0002","11.4969","0.0003","90","","90","","90","","1027.36","0.05","117","2","117","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Sodium fluorogermanate dihydrogenfluoride","Sodium <i>trans</i>-pentafluorogermanate(IV) bis(hydrogen fluoride)","","- F7 Ge H2 Na -","- F7 Ge H2 Na -","- F56 Ge8 H16 Na8 -","8","2","YD3042","Bockmair, Valentin; Hoch, Constantin; Schusterbauer, Irina; Kornath, Andreas J.","Na[GeF<sub>5</sub>]·2HF: the first quarternary phase in the H-Na-Ge-F system.","Acta crystallographica. Section C, Structural chemistry","2024","80","8","","","10.1107/S2053229624006338","","","0.71073","MoKα","","0.018","0.0158","","","0.0401","0.0412","","","","","","1.063","","","","has coordinates","293367","2024-07-11","01:50:58",""
"2312550","9.2707","0.0004","15.2236","0.0006","20.0806","0.0008","90","","90","","90","","2834","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Isororidin A","","","- C29 H40 O9 -","- C29 H40 O9 -","- C116 H160 O36 -","4","1","UX3006","Asmaey, Mostafa A.; Kalofolias, Dimitris A.; Charavgi, Maria Despoina; Abdel-Rahim, Ismail R; Chrysina, Evangelia D.; Abatis, Dennis","Crystal structure of the cytotoxic macrocyclic trichothecene Isororidin A.","Acta crystallographica. Section C, Structural chemistry","2024","80","8","","","10.1107/S2053229624006144","","x-ray","1.54178","CuKα","","0.0422","0.0407","","","0.1079","0.1091","","","","","","1.066","","","","has coordinates","293368","2024-07-11","01:51:20",""
"2312551","9.302","0.003","15.412","0.006","20.191","0.008","90","","90","","90","","2894.6","1.9","293","2","293","2","","","","","","","Myrothesium verrucaria","3","P 21 21 21","P 2ac 2ab","19","","Isororidin A","","- C29 H40 O9 -","- C29 H40 O9 -","- C116 H160 O36 -","4","1","UX3006","Asmaey, Mostafa A.; Kalofolias, Dimitris A.; Charavgi, Maria Despoina; Abdel-Rahim, Ismail R; Chrysina, Evangelia D.; Abatis, Dennis","Crystal structure of the cytotoxic macrocyclic trichothecene Isororidin A.","Acta crystallographica. Section C, Structural chemistry","2024","80","8","","","10.1107/S2053229624006144","","","1.5418","CuKα","","0.0929","0.0856","","","0.2506","0.2653","","","","","","1.048","","","","has coordinates","293368","2024-07-11","01:51:22",""
"2312552","21.0944","0.0003","21.0944","0.0003","12.0785","0.0002","90","","90","","90","","5374.61","0.14","100","0.1","100","0.1","","","","","","","","6","I 41/a :2","-I 4ad","88","","Diaquatetrakis(methyldiphenylphosphine oxide)manganese(II) tetrachloridomanganate(II)","","- C52 H56 Cl4 Mn2 O6 P4 -","- C52 H56 Cl4 Mn2 O6 P4 -","- C208 H224 Cl16 Mn8 O24 P16 -","4","0.25","QF3064","Li, Jia Wei; Niu, Mengyuan; Feng, Wei; Dong, Wenke; Liu, Yanjie; Yang, Jingjing; Wang, Chunjie; Zhang, Hui; Song, Wei Wu","Synthesis, structure and red-light emission of a manganese halide directed by a methyldiphenylphosphine oxide complex.","Acta crystallographica. Section C, Structural chemistry","2024","80","8","","","10.1107/S2053229624006405","","x-ray","1.34135","GaKα","","0.0357","0.0308","","","0.081","0.0834","","","","","","1.051","","","","has coordinates,has Fobs","293405","2024-07-13","01:57:14",""
"2312553","8.7734","0.0004","7.0554","0.0003","19.7544","0.001","90","","90","","90","","1222.79","0.1","150","","150","","","","","","","","","4","P n m a","-P 2ac 2n","62","","4-Cyano-<i>N</i>-(4-cyanobenzyl)pyridinium bromide","","- C14 H10 Br N3 -","- C14 H10 Br N3 -","- C56 H40 Br4 N12 -","4","0.5","JX3084","Qin, Qiaoqi; Liu, Jiamin; Luan, Xinyu; Xu, Jianqiao; Jiang, Long","Crystal structure and Hirshfeld surface analysis of two iHOFs based on CH...NC hydrogen bonding.","Acta crystallographica. Section C, Structural chemistry","2024","80","8","","","10.1107/S2053229624005850","","","1.34138","GaKα","","0.0375","0.0282","","","0.0652","0.0687","","","","","","1.088","","","","has coordinates,has Fobs","293406","2024-07-13","01:57:42",""
"2312554","23.8054","0.0012","23.8054","0.0012","7.3222","0.0004","90","","90","","90","","4149.5","0.4","150","","150","","","","","","","","","5","I 4/m","-I 4","87","","Bis[4-cyano-<i>N</i>-(4-cyanobenzyl)pyridinium] antimony(III) pentabromide","","- C28 H20 Br5 N6 Sb -","- C28 H20 Br4.975 N6 Sb -","- C112 H80 Br19.9 N24 Sb4 -","4","0.25","JX3084","Qin, Qiaoqi; Liu, Jiamin; Luan, Xinyu; Xu, Jianqiao; Jiang, Long","Crystal structure and Hirshfeld surface analysis of two iHOFs based on CH...NC hydrogen bonding.","Acta crystallographica. Section C, Structural chemistry","2024","80","8","","","10.1107/S2053229624005850","","","1.34138","GaKα","","0.0745","0.073","","","0.2187","0.2203","","","","","","1.103","","","","has coordinates,has disorder,has Fobs","293406","2024-07-13","01:57:42",""
"2312555","9.5521","0.0003","13.9524","0.0004","9.9961","0.0003","90","","117.12","0.004","90","","1185.75","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Thiourea–pyrazine <i>N</i>-oxide (2/1)","","- C6 H12 N6 O S2 -","- C6 H12 N6 O S2 -","- C24 H48 N24 O4 S8 -","4","1","DG3054","Wzgarda-Raj, Kinga; Olszewski, Adrian; Palusiak, Marcin","The pattern of bifurcated hydrogen bonds in thiourea cocrystals with diazine derivatives: experimental and quantum theoretical studies.","Acta crystallographica. Section C, Structural chemistry","2024","80","8","","","10.1107/S2053229624006259","","x-ray","1.54184","CuKα","","0.0767","0.0703","","","0.2098","0.2172","","","","","","1.097","","","","has coordinates,has disorder,has Fobs","293486","2024-07-20","01:54:12",""
"2312556","25.5771","0.0009","11.7896","0.0004","13.6126","0.0005","90","","92.484","0.003","90","","4100.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Thiourea–phenazine (6/7)","","- C45 H40 N13 S3 -","- C45 H40 N13 S3 -","- C180 H160 N52 S12 -","4","1","DG3054","Wzgarda-Raj, Kinga; Olszewski, Adrian; Palusiak, Marcin","The pattern of bifurcated hydrogen bonds in thiourea cocrystals with diazine derivatives: experimental and quantum theoretical studies.","Acta crystallographica. Section C, Structural chemistry","2024","80","8","","","10.1107/S2053229624006259","","","1.54184","CuKα","","0.0778","0.0693","","","0.203","0.2114","","","","","","1.08","","","","has coordinates,has Fobs","293486","2024-07-20","01:54:13",""
"2312557","5.89","0.07","5.99","0.11","12.22","0.08","90","","90","","90","","431","10","81","","81","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>L</i>-Alanine","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","EQ3017","Kumar, Anil; Jha, Kunal Kumar; Olech, Barbara; Goral, Tomasz; Malinska, Maura; Woźniak, Krzysztof; Dominiak, Paulina Maria","TAAM refinement on high-resolution experimental and simulated 3D ED/MicroED data for organic molecules.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 7","264","277","10.1107/S2053229624005357","","electron","0.0251","electron","","0.1907","0.1388","","","0.3712","0.4199","","","","","","1.1919","","","","has coordinates","293973","2024-08-06","21:33:14",""
"2312558","5.89","0.07","5.99","0.11","12.22","0.08","90","","90","","90","","431","10","81","","81","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Alanine","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","EQ3017","Kumar, Anil; Jha, Kunal Kumar; Olech, Barbara; Goral, Tomasz; Malinska, Maura; Woźniak, Krzysztof; Dominiak, Paulina Maria","TAAM refinement on high-resolution experimental and simulated 3D ED/MicroED data for organic molecules.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 7","264","277","10.1107/S2053229624005357","","electron","0.0251","electron","","0.1844","0.1313","","","0.3658","0.4138","","","","","","1.1725","","","","has coordinates","293973","2024-08-06","21:33:15",""
"2312559","5.11","0.1","11.81","0.1","5.44","0.08","90","","113.1","1.3","90","","302","8","81","","81","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","α-Glycine","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C8 H20 N4 O8 -","4","1","EQ3017","Kumar, Anil; Jha, Kunal Kumar; Olech, Barbara; Goral, Tomasz; Malinska, Maura; Woźniak, Krzysztof; Dominiak, Paulina Maria","TAAM refinement on high-resolution experimental and simulated 3D ED/MicroED data for organic molecules.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 7","264","277","10.1107/S2053229624005357","","electron","0.0251","electron","","0.2027","0.1596","","","0.3578","0.3931","","","","","","1.1566","","","","has coordinates","293973","2024-08-06","21:33:15",""
"2312560","5.11","0.1","11.81","0.1","5.44","0.08","90","","113.1","1.3","90","","302","8","81","","81","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","α-Glycine","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C8 H20 N4 O8 -","4","1","EQ3017","Kumar, Anil; Jha, Kunal Kumar; Olech, Barbara; Goral, Tomasz; Malinska, Maura; Woźniak, Krzysztof; Dominiak, Paulina Maria","TAAM refinement on high-resolution experimental and simulated 3D ED/MicroED data for organic molecules.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 7","264","277","10.1107/S2053229624005357","","electron","0.0251","electron","","0.1917","0.1471","","","0.3425","0.3792","","","","","","1.1116","","","","has coordinates","293973","2024-08-06","21:33:16",""
"2312561","5.596","0.003","5.596","0.003","4.7164","0.0017","90","","90","","90","","147.7","0.12","81","","81","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Urea","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","EQ3017","Kumar, Anil; Jha, Kunal Kumar; Olech, Barbara; Goral, Tomasz; Malinska, Maura; Woźniak, Krzysztof; Dominiak, Paulina Maria","TAAM refinement on high-resolution experimental and simulated 3D ED/MicroED data for organic molecules.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 7","264","277","10.1107/S2053229624005357","","electron","0.0251","electron","","0.1917","0.1756","","","0.3856","0.4002","","","","","","1.389","","","","has coordinates","293973","2024-08-06","21:33:16",""
"2312562","5.596","0.003","5.596","0.003","4.7164","0.0017","90","","90","","90","","147.7","0.12","81","","81","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Urea","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","EQ3017","Kumar, Anil; Jha, Kunal Kumar; Olech, Barbara; Goral, Tomasz; Malinska, Maura; Woźniak, Krzysztof; Dominiak, Paulina Maria","TAAM refinement on high-resolution experimental and simulated 3D ED/MicroED data for organic molecules.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 7","264","277","10.1107/S2053229624005357","","electron","0.0251","electron","","0.1801","0.1628","","","0.3709","0.3866","","","","","","1.3349","","","","has coordinates","293973","2024-08-06","21:33:16",""
"2312563","25.562","0.002","17.0373","0.0015","14.8998","0.0012","90","","112.112","0.003","90","","6011.7","0.9","100","2","100","2","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","μ-Cyanido-κ^2^<i>C</i>:<i>N</i>-bis[(acetonitrile-κ<i>N</i>)[3,3'-bis(pyridin-2-yl)-1,1'-(methylidene)bis(benzimidazol-2-ylidene)]iron(II) tris(hexafluorophosphate),","","- C55 H42 F18 Fe2 N15 P3 -","- C55 H42 F18 Fe2 N15 P3 -","- C220 H168 F72 Fe8 N60 P12 -","4","0.5","JX3087","Schlachta, Tim P.; Sauer, Michael J.; Richter, Leon F.; Kühn, Fritz E","Formation of a diiron-(μ-η<sup>1</sup>:η<sup>1</sup>-CN) complex from acetonitrile solution.","Acta crystallographica. Section C, Structural chemistry","2024","80","9","","","10.1107/S2053229624007058","","x-ray","0.71073","MoKα","","0.0389","0.0311","","","0.0781","0.0829","","","","","","1.109","","","","has coordinates,has disorder","294064","2024-08-09","01:45:14",""
"2312564","7.7936","0.0001","18.3639","0.0002","16.3922","0.0001","90","","102.245","0.001","90","","2292.69","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(1-Hydroxyethylidene)anilinium chloride–<i>N</i>-phenylacetamide (1/1)","","- C16 H19 Cl N2 O2 -","- C16 H19 Cl N2 O2 -","- C96 H114 Cl6 N12 O12 -","6","1.5","EF3058","Jaconelli, Harry S.; Kennedy, Alan R.","Salt forms of amides: protonation of acetanilide.","Acta crystallographica. Section C, Structural chemistry","2024","80","9","","","10.1107/S2053229624007332","","","1.54184","CuKα","","0.0332","0.0308","","","0.0862","0.0882","","","","","","1.041","","","","has coordinates,has disorder","294065","2024-08-09","01:46:29",""
"2312565","7.8794","0.0002","9.7748","0.0003","16.272","0.0004","104.385","0.003","98.342","0.002","96.386","0.002","1186.86","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(1-Hydroxyethylidene)anilinium bromide–<i>N</i>-phenylacetamide (1/1)","","- C16 H19 Br N2 O2 -","- C16 H19 Br N2 O2 -","- C48 H57 Br3 N6 O6 -","3","1.5","EF3058","Jaconelli, Harry S.; Kennedy, Alan R.","Salt forms of amides: protonation of acetanilide.","Acta crystallographica. Section C, Structural chemistry","2024","80","9","","","10.1107/S2053229624007332","","","1.54184","CuKα","","0.0614","0.0544","","","0.1558","0.1642","","","","","","1.114","","","","has coordinates,has disorder","294065","2024-08-09","01:46:31",""
"2312566","7.3766","0.0002","8.8131","0.0003","9.3226","0.0002","113.612","0.002","103.144","0.002","104.263","0.003","500.61","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(1-Hydroxyethylidene)anilinium triiodide–<i>N</i>-phenylacetamide (1/1)","","- C16 H19 I3 N2 O2 -","- C16 H19 I3 N2 O2 -","- C16 H19 I3 N2 O2 -","1","0.5","EF3058","Jaconelli, Harry S.; Kennedy, Alan R.","Salt forms of amides: protonation of acetanilide.","Acta crystallographica. Section C, Structural chemistry","2024","80","9","","","10.1107/S2053229624007332","","","1.54184","CuKα","","0.0381","0.0375","","","0.1061","0.1071","","","","","","1.103","","","","has coordinates,has disorder","294065","2024-08-09","01:46:32",""
"2312567","7.107","0.0001","9.5381","0.0001","13.3592","0.0001","98.765","0.001","98.034","0.001","105.977","0.001","844.555","0.017","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>-(1-Hydroxyethylidene)anilinium tetrafluoroborate–<i>N</i>-phenylacetamide (1/1)","","- C16 H19 B F4 N2 O2 -","- C16 H19 B F4 N2 O2 -","- C32 H38 B2 F8 N4 O4 -","2","1","EF3058","Jaconelli, Harry S.; Kennedy, Alan R.","Salt forms of amides: protonation of acetanilide.","Acta crystallographica. Section C, Structural chemistry","2024","80","9","","","10.1107/S2053229624007332","","","1.54184","CuKα","","0.0365","0.0361","","","0.0991","0.0994","","","","","","1.038","","","","has coordinates","294065","2024-08-09","01:46:34",""
"2312568","5.8956","0.0001","18.6224","0.0004","19.9632","0.0004","90","","91.97","0.002","90","","2190.47","0.07","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","<i>N</i>-(1-Hydroxyethylidene)anilinium diiodobromide–\ <i>N</i>-phenylacetamide–diiodine (2/2/1)","","- C16 H19 Br0.93 I3.07 N2 O2 -","- C16 H19 Br0.931 I3.069 N2 O2 -","- C64 H76 Br3.724 I12.276 N8 O8 -","4","1","EF3058","Jaconelli, Harry S.; Kennedy, Alan R.","Salt forms of amides: protonation of acetanilide.","Acta crystallographica. Section C, Structural chemistry","2024","80","9","","","10.1107/S2053229624007332","","","1.54184","CuKα","","0.0564","0.0516","","","0.1466","0.1508","","","","","","1.077","","","","has coordinates,has disorder","294065","2024-08-09","01:46:36",""
"2312569","5.3263","0.0002","7.3743","0.0004","9.3688","0.0004","109.863","0.004","104.606","0.004","93.344","0.004","330.69","0.03","298.15","","298.15","","","","","","","","","4","P -1","-P 1","2","","Tetraaquabis(3-carboxypropionato)manganese(II)","","- C8 H14 Mn O12 -","- C8 H14 Mn O12 -","- C8 H14 Mn O12 -","1","0.5","DG3057","Pinto, Camila B.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L.","Further evaluation of the shape of atomic Hirshfeld surfaces: M...H contacts and homoatomic bonds.","Acta crystallographica. Section C, Structural chemistry","2024","80","9","","","10.1107/S2053229624007125","","x-ray","0.71073","MoKα","","0.027","0.0221","","","0.0419","0.044","","","","","","1.1693","","","","has coordinates,has Fobs","294066","2024-08-09","01:47:07",""
"2312570","5.2222","0.0002","7.3322","0.0002","9.2293","0.0003","109.125","0.003","104.376","0.003","93.224","0.003","319.76","0.02","298.15","","298.15","","","","","","","","","4","P -1","-P 1","2","","Tetraaquabis(3-carboxypropionato)cobalt(II)","","- C8 H14 Co O12 -","- C8 H14 Co O12 -","- C8 H14 Co O12 -","1","0.5","DG3057","Pinto, Camila B.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L.","Further evaluation of the shape of atomic Hirshfeld surfaces: M...H contacts and homoatomic bonds.","Acta crystallographica. Section C, Structural chemistry","2024","80","9","","","10.1107/S2053229624007125","","x-ray","0.71073","MoKα","","0.0194","0.0179","","","0.0385","0.0393","","","","","","1.127","","","","has coordinates,has Fobs","294066","2024-08-09","01:47:08",""
"2312571","5.178","0.0002","7.3254","0.0002","9.1449","0.0004","108.423","0.003","104.583","0.003","92.929","0.003","315.25","0.02","298.15","","298.15","","","","","","","","","4","P -1","-P 1","2","","Tetraaquabis(3-carboxypropionato)nickel(II)","","- C8 H14 Ni O12 -","- C8 H14 Ni O12 -","- C8 H14 Ni O12 -","1","0.5","DG3057","Pinto, Camila B.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L.","Further evaluation of the shape of atomic Hirshfeld surfaces: M...H contacts and homoatomic bonds.","Acta crystallographica. Section C, Structural chemistry","2024","80","9","","","10.1107/S2053229624007125","","x-ray","0.71073","MoKα","","0.0209","0.0194","","","0.0429","0.0438","","","","","","1.1641","","","","has coordinates,has Fobs","294066","2024-08-09","01:47:08",""
"2312572","5.2307","0.0002","7.3259","0.0003","9.2246","0.0003","108.753","0.003","104.626","0.003","93.202","0.003","320.23","0.02","298.15","","298.15","","","","","","","","","4","P -1","-P 1","2","","Tetraaquabis(3-carboxypropionato)zinc(II)","","- C8 H14 O12 Zn -","- C8 H14 O12 Zn -","- C8 H14 O12 Zn -","1","0.5","DG3057","Pinto, Camila B.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L.","Further evaluation of the shape of atomic Hirshfeld surfaces: M...H contacts and homoatomic bonds.","Acta crystallographica. Section C, Structural chemistry","2024","80","9","","","10.1107/S2053229624007125","","x-ray","0.71073","MoKα","","0.0205","0.019","","","0.0445","0.0454","","","","","","1.2217","","","","has coordinates,has Fobs","294066","2024-08-09","01:47:08",""
"2312573","14.4614","0.0002","14.1299","0.0002","10.1503","0.0002","90","","90","","90","","2074.09","0.06","299.14","0.1","299.14","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","Aqua[2,4,6-tris(pyridin-4-yl)-1,3,5-triazine]zinc(II) dibromide","","- C18 H14 Br2 N6 O Zn -","- C18 H14 Br2 N6 O Zn -","- C72 H56 Br8 N24 O4 Zn4 -","4","0.5","ZO3049","Dailey, Maegan; Jackson, Eric W.; Ramadhar, Timothy R.","Crystal structures, phase transition, and Hirshfeld surface analyses of the bromide and chloride congeners of aqua[2,4,6-tris(pyridin-4-yl)-1,3,5-triazine]zinc(II) halide.","Acta crystallographica. Section C, Structural chemistry","2024","80","9","","","10.1107/S205322962400737X","","x-ray","1.54184","CuKα","","0.0379","0.0318","","","0.0839","0.0939","","","","","","1.083","","","","has coordinates,has Fobs","294093","2024-08-13","01:58:10",""
"2312574","9.9449","0.0003","14.1246","0.0004","14.3921","0.0004","90","","93.216","0.002","90","","2018.44","0.1","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Aqua[2,4,6-tris(pyridin-4-yl)-1,3,5-triazine]zinc(II) dibromide","","- C18 H14 Br2 N6 O Zn -","- C18 H14 Br2 N6 O Zn -","- C72 H56 Br8 N24 O4 Zn4 -","4","1","ZO3049","Dailey, Maegan; Jackson, Eric W.; Ramadhar, Timothy R.","Crystal structures, phase transition, and Hirshfeld surface analyses of the bromide and chloride congeners of aqua[2,4,6-tris(pyridin-4-yl)-1,3,5-triazine]zinc(II) halide.","Acta crystallographica. Section C, Structural chemistry","2024","80","9","","","10.1107/S205322962400737X","","x-ray","1.54184","CuKα","","0.0873","0.0748","","","0.236","0.249","","","","","","1.066","","","","has coordinates,has Fobs","294093","2024-08-13","01:58:11",""
"2312575","14.1507","0.0005","14.0162","0.0005","9.8624","0.0005","90","","90","","90","","1956.1","0.14","100","0.1","100","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","Aqua[2,4,6-tris(pyridin-4-yl)-1,3,5-triazine]zinc(II) dichloride","","- C18 H14 Cl2 N6 O Zn -","- C18 H14 Cl2 N6 O Zn -","- C72 H56 Cl8 N24 O4 Zn4 -","4","0.5","ZO3049","Dailey, Maegan; Jackson, Eric W.; Ramadhar, Timothy R.","Crystal structures, phase transition, and Hirshfeld surface analyses of the bromide and chloride congeners of aqua[2,4,6-tris(pyridin-4-yl)-1,3,5-triazine]zinc(II) halide.","Acta crystallographica. Section C, Structural chemistry","2024","80","9","","","10.1107/S205322962400737X","","x-ray","1.54184","CuKα","","0.082","0.0738","","","0.2117","0.2197","","","","","","1.111","","","","has coordinates,has Fobs","294093","2024-08-13","01:58:11",""
"2312576","8.168","0.0003","9.129","0.0004","9.8118","0.0003","103.727","0.003","107.165","0.003","112.18","0.004","594.91","0.05","99.9","0.7","99.9","0.7","","","","","","","","5","P -1","-P 1","2","","4-(Dimethylamino)pyridine–1,2,4,5-tetrachloro-3,6-diiodobenzene (2/1)","","- C20 H20 Cl4 I2 N4 -","- C20 H20 Cl4 I2 N4 -","- C20 H20 Cl4 I2 N4 -","1","0.5","VP3039","Bosch, Eric; Bowling, Nathan P.","Role of secondary interactions in a series of 2:1 halogen-bonded cocrystals formed between 4-(dimethylamino)pyridine and ditopic halogen-bond donors.","Acta crystallographica. Section C, Structural chemistry","2024","80","9","","","10.1107/S205322962400771X","","x-ray","1.54184","CuKα","","0.0386","0.0378","","","0.1055","0.1067","","","","","","1.0238","","","","has coordinates,has Fobs","294106","2024-08-14","01:52:58",""
"2312577","8.3361","0.0002","9.3089","0.0003","9.8204","0.0002","102.484","0.002","108.399","0.002","113.064","0.002","612.84","0.04","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","","4-(Dimethylamino)pyridine–1,2,4,5-tetrabromo-3,6-diiodobenzene (2/1)","","- C20 H20 Br4 I2 N4 -","- C20 H20 Br4 I2 N4 -","- C20 H20 Br4 I2 N4 -","1","0.5","VP3039","Bosch, Eric; Bowling, Nathan P.","Role of secondary interactions in a series of 2:1 halogen-bonded cocrystals formed between 4-(dimethylamino)pyridine and ditopic halogen-bond donors.","Acta crystallographica. Section C, Structural chemistry","2024","80","9","","","10.1107/S205322962400771X","","x-ray","1.54184","CuKα","","0.0393","0.0392","","","0.1102","0.1104","","","","","","1.0305","","","","has coordinates,has Fobs","294106","2024-08-14","01:52:59",""
"2312578","7.3898","0.0001","16.212","0.0002","9.4236","0.0001","90","","106.304","0.002","90","","1083.58","0.03","100.01","0.15","100.01","0.15","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-(Dimethylamino)pyridine–1-bromo-4-iodo-2,3,5,6-tetrafluorobenzene (2/1)","","- C20 H20 Br F4 I N4 -","- C20 H20 Br F4 I N4 -","- C40 H40 Br2 F8 I2 N8 -","2","0.5","VP3039","Bosch, Eric; Bowling, Nathan P.","Role of secondary interactions in a series of 2:1 halogen-bonded cocrystals formed between 4-(dimethylamino)pyridine and ditopic halogen-bond donors.","Acta crystallographica. Section C, Structural chemistry","2024","80","9","","","10.1107/S205322962400771X","","x-ray","1.54184","CuKα","","0.0348","0.0341","","","0.0797","0.08","","","","","","0.9978","","","","has coordinates,has disorder,has Fobs","294106","2024-08-14","01:52:59",""
"2312579","9.6158","0.0004","9.7518","0.0004","14.8423","0.0007","74.473","0.004","85.82","0.004","61.476","0.004","1175.73","0.1","99.9","0.4","99.9","0.4","","","","","","","","6","P -1","-P 1","2","","4-(Dimethylamino)pyridine–1,2-dibromo-4,5-difluoro-3,6-diiodobenzene (2/1)","","- C20 H20 Br2 F2 I2 N4 -","- C20 H20 Br2 F2 I2 N4 -","- C40 H40 Br4 F4 I4 N8 -","2","1","VP3039","Bosch, Eric; Bowling, Nathan P.","Role of secondary interactions in a series of 2:1 halogen-bonded cocrystals formed between 4-(dimethylamino)pyridine and ditopic halogen-bond donors.","Acta crystallographica. Section C, Structural chemistry","2024","80","9","","","10.1107/S205322962400771X","","x-ray","1.54184","CuKα","","0.051","0.0494","","","0.1395","0.1417","","","","","","1.0304","","","","has coordinates,has Fobs","294106","2024-08-14","01:53:00",""
"2312580","14.05","0.004","10.701","0.003","18.692","0.005","90","","108.45","0.003","90","","2665.9","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chloridotris(hexafluoroisopropoxido-κ<i>O</i>)bis(tetrahydrofuran-κ<i>O</i>)titanium(IV)","","- C17 H19 Cl F18 O5 Ti -","- C17 H19 Cl F18 O5 Ti -","- C68 H76 Cl4 F72 O20 Ti4 -","4","1","","Van Der Sluys, William G.","Concerning the structures of Lewis base adducts of titanium(IV) hexafluoroisopropoxide.","Acta crystallographica. Section C, Structural chemistry","2024","80","9","","","10.1107/S2053229624006843","","","0.71073","MoKα","","0.0551","0.042","","","0.1162","0.1229","","","","","","0.984","","","","has coordinates","294107","2024-08-14","01:53:20",""
"2312581","8.7659","0.0002","12.9796","0.0003","19.1759","0.0005","90","","91.632","0.002","90","","2180.91","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Tris(hexafluoroacetylacetonato)iron(III)","Tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olato)iron(III)","","- C15 H3 F18 Fe O6 -","- C15 H3 F18 Fe O6 -","- C60 H12 F72 Fe4 O24 -","4","1","VX3007","Chang, Joyce; Defeo, Julianna N.; Wei, Zheng; Dikarev, Evgeny V.","Two polymorph modifications of tris(hexafluoroacetylacetonato)iron(III) revealed: is that common for other trivalent metals?","Acta crystallographica. Section C, Structural chemistry","2024","80","9","","","10.1107/S2053229624007575","","","0.71073","MoKα","","0.0368","0.032","","","0.078","0.0801","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","294174","2024-08-20","01:46:24",""
"2312582","18.1141","0.0004","18.1141","0.0004","11.7136","0.0003","90","","90","","120","","3328.55","0.13","100","2","100","2","","","","","","","","5","P -3","-P 3","147","Tris(hexafluoroacetylacetonato)iron(III)","Tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olato)iron(III)","","- C15 H3 F18 Fe O6 -","- C15 H3 F18 Fe O6 -","- C90 H18 F108 Fe6 O36 -","6","1","VX3007","Chang, Joyce; Defeo, Julianna N.; Wei, Zheng; Dikarev, Evgeny V.","Two polymorph modifications of tris(hexafluoroacetylacetonato)iron(III) revealed: is that common for other trivalent metals?","Acta crystallographica. Section C, Structural chemistry","2024","80","9","","","10.1107/S2053229624007575","","","0.41329","synchrotron","","0.0347","0.0324","","","0.082","0.0838","","","","","","1.094","","","","has coordinates,has disorder,has Fobs","294174","2024-08-20","01:46:25",""
"2312583","13.766","0.003","20.162","0.004","30.654","0.006","90","","90","","90","","8508","3","298","","298","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","Tetrakis(2,2'-biimidazole)-1κ^4^<i>N</i>,<i>N</i>';3κ^4^<i>N</i>,<i>N</i>'-di-μ-chlorido-1:2κ^2^<i>Cl</i>:<i>Cl</i>;2:3κ^2^<i>Cl</i>:<i>Cl</i>-dimalonato-2κ^4^<i>O</i>,<i>O</i>'-tricopper(II) pentahydrate","","- C30 H38 Cl2 Cu3 N16 O13 -","- C30 H28 Cl2 Cu3 N16 O8 -","- C240 H224 Cl16 Cu24 N128 O64 -","8","0.5","OJ3021","Atencio, Reinaldo; Linares, Marciel M.; González, Teresa; Briceño, Alexander","Multivalent hydrogen-bonded architectures directed by self-complementarity between [Cu(2,2'-biimidazole)] and malonate building blocks.","Acta crystallographica. Section C, Structural chemistry","2024","80","9","","","10.1107/S2053229624007897","","x-ray","0.71073","MoKα","","0.0715","0.0513","","","0.1395","0.1537","","","","","","1.04","","","","has coordinates,has Fobs","294175","2024-08-20","01:47:35",""
"2312584","7.0587","0.0004","20.3107","0.0012","18.9523","0.001","90","","91.77","0.004","90","","2715.8","0.3","298","0.3","298.3","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aqua(2,2'-biimidazole-κ^2^<i>N</i>,<i>N</i>')(malonato-κ^2^<i>O</i>,<i>O</i>')copper(II) dihydrate","","- C9 H14 Cu N4 O7 -","- C9 H10 Cu N4 O5 -","- C72 H80 Cu8 N32 O40 -","8","2","OJ3021","Atencio, Reinaldo; Linares, Marciel M.; González, Teresa; Briceño, Alexander","Multivalent hydrogen-bonded architectures directed by self-complementarity between [Cu(2,2'-biimidazole)] and malonate building blocks.","Acta crystallographica. Section C, Structural chemistry","2024","80","9","","","10.1107/S2053229624007897","","x-ray","0.71073","MoKα","","0.0704","0.0397","","","0.0907","0.1079","","","","","","1.038","","","","has coordinates,has Fobs","294175","2024-08-20","01:47:36",""
"2312585","17.9569","0.0011","15.2466","0.0006","16.6781","0.001","90","","95.296","0.005","90","","4546.7","0.4","298","0.3","298","0.3","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[aquabis(2,2'-biimidazole-κ^2^<i>N</i>,<i>N</i>')copper(II)] bis(malonato-κ^2^<i>O</i>,<i>O</i>')bis(perchlorato-κ<i>O</i>)copper(II) 2.2-hydrate","","- C30 H32.4 Cl2 Cu3 N16 O20.2 -","- C30 H32 Cl2 Cu3 N16 O20 -","- C120 H128 Cl8 Cu12 N64 O80 -","4","0.5","OJ3021","Atencio, Reinaldo; Linares, Marciel M.; González, Teresa; Briceño, Alexander","Multivalent hydrogen-bonded architectures directed by self-complementarity between [Cu(2,2'-biimidazole)] and malonate building blocks.","Acta crystallographica. Section C, Structural chemistry","2024","80","9","","","10.1107/S2053229624007897","","x-ray","0.71073","MoKα","","0.1057","0.0699","","","0.177","0.2043","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","294175","2024-08-20","01:47:36",""
"2312586","7.7912","0.0006","12.5972","0.001","32.481","0.003","90","","96.802","0.002","90","","3165.5","0.5","298","0.3","298","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2,2'-biimidazole-κ^2^<i>N</i>,<i>N</i>')copper(II) bis[bis(2,2'-biimidazole-κ^2^<i>N</i>,<i>N</i>')(2-carboxyacetato-κ<i>O</i>^2^)(malonato-κ<i>O</i>)copper(II)] 13-hydrate","","- C48 H72 Cu3 N24 O29 -","- C48 H46 Cu3 N24 O16 -","- C96 H92 Cu6 N48 O32 -","2","0.5","OJ3021","Atencio, Reinaldo; Linares, Marciel M.; González, Teresa; Briceño, Alexander","Multivalent hydrogen-bonded architectures directed by self-complementarity between [Cu(2,2'-biimidazole)] and malonate building blocks.","Acta crystallographica. Section C, Structural chemistry","2024","80","9","","","10.1107/S2053229624007897","","","0.7107","MoKα","","0.1565","0.0699","","","0.1409","0.1794","","","","","","1.007","","","","has coordinates,has Fobs","294175","2024-08-20","01:47:37",""
"2312587","30.0416","0.0009","9.7018","0.0001","24.0984","0.0007","90","","129.744","0.005","90","","5400.6","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,2,4-Trimethyl-8,9-bis(4-methylbenzenesulfonamido)-2,3-dihydro-5<i>H</i>-1,5-benzodiazepine","","- C26 H30 N4 O4 S2 -","- C26 H30 N4 O4 S2 -","- C208 H240 N32 O32 S16 -","8","1","EF3057","Dival, Bruno; Pitinato, Leonardo; Develly, Letícia; Oliveira, Willian X. C.","Crystal structures of two unexpected products of vicinal diamines left to crystallize in acetone.","Acta crystallographica. Section C, Structural chemistry","2024","80","9","","","10.1107/S2053229624007320","","","1.54184","CuKα","","0.0533","0.0425","","","0.1176","0.1262","","","","","","1.067","","","","has coordinates,has Fobs","294212","2024-08-24","02:18:58",""
"2312588","12.0993","0.0002","13.4307","0.0002","17.3586","0.0003","90","","103.667","0.002","90","","2740.94","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,2,4-Trimethyl-8,9-bis(4-methylbenzenesulfonamido)-2,3-dihydro-5<i>H</i>-1,5-benzodiazepin-1-ium chloride 0.3-hydrate","","- C26 H31.6 Cl N4 O4.3 S2 -","- C26 H31.6 Cl N4 O4.3 S2 -","- C104 H126.4 Cl4 N16 O17.2 S8 -","4","1","EF3057","Dival, Bruno; Pitinato, Leonardo; Develly, Letícia; Oliveira, Willian X. C.","Crystal structures of two unexpected products of vicinal diamines left to crystallize in acetone.","Acta crystallographica. Section C, Structural chemistry","2024","80","9","","","10.1107/S2053229624007320","","","1.54184","CuKα","","0.0488","0.0407","","","0.1146","0.1212","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","294212","2024-08-24","02:18:59",""
"2312589","11.6292","0.0009","22.6611","0.0017","22.3631","0.0017","90","","93.857","0.001","90","","5880","0.8","100","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(dimethylammonium) tris(μ-5-phenyltetrazolato-κ^2^<i>N</i>^2^:<i>N</i>^3^)bis[bis(dimethylamido)(5-phenyltetrazolato-κ<i>N</i>^2^)titanium] benzene 1.45-solvate","","- C45 H57 N25 Ti2 -","- C45 H57 N25 Ti2 -","- C180 H228 N100 Ti8 -","4","1","EF3059","Bikzhanova, Galina A.; Guzei, Ilia A.","Coordination variety of phenyltetrazolato and dimethylamido ligands in dimeric Ti, Zr, and Ta complexes.","Acta crystallographica. Section C, Structural chemistry","2024","80","9","","","10.1107/S2053229624007411","","","0.71073","MoKα","","0.0668","0.0496","","","0.1367","0.1415","","","","","","1.087","","","","has coordinates,has disorder","294213","2024-08-24","02:19:51",""
"2312590","13.9631","0.0005","16.7619","0.0006","27.3054","0.0009","86.902","0.001","81.154","0.001","89.969","0.001","6305.3","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","Bis(dimethylamido)-1κ<i>N</i>,2κ<i>N</i>-bis(dimethylamine)-1κ<i>N</i>,2κ<i>N</i>-tris(μ-5-phenyltetrazolato-1:2κ^2^<i>N</i>^2^:<i>N</i>^3^)tris(5-phenyltetrazolato)-1κ^2^<i>N</i>^2^;2κ^2^<i>N</i>^2^,<i>N</i>^3^- dizirconium(III)]–benzene–dichloromethane (1/1.12/0.38)","","- C57.09 H63.47 Cl0.76 N28 Zr2 -","- C57.0925 H63.474 Cl0.763 N28 Zr2 -","- C228.37 H253.896 Cl3.052 N112 Zr8 -","4","2","EF3059","Bikzhanova, Galina A.; Guzei, Ilia A.","Coordination variety of phenyltetrazolato and dimethylamido ligands in dimeric Ti, Zr, and Ta complexes.","Acta crystallographica. Section C, Structural chemistry","2024","80","9","","","10.1107/S2053229624007411","","","0.71073","MoKα","","0.052","0.0386","","","0.0958","0.1026","","","","","","1.009","","","","has coordinates,has disorder","294213","2024-08-24","02:19:53",""
"2312591","22.5131","0.0008","25.5101","0.0009","26.7165","0.0009","90","","101.383","0.0004","90","","15041.8","0.9","105","","105.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","μ-Oxido-bis(μ-5-phenyltetrazolato-κ^2^<i>N</i>^2^:<i>N</i>^3^)\ bis[(dimethylamido)tris(5-phenyltetrazolato-κ<i>N</i>^2^)tantalum(V)] toluene 0.25-solvate","","- C65.75 H70 N36 O Ta2 -","- C65.75 H70 N36 O Ta2 -","- C526 H560 N288 O8 Ta16 -","8","2","EF3059","Bikzhanova, Galina A.; Guzei, Ilia A.","Coordination variety of phenyltetrazolato and dimethylamido ligands in dimeric Ti, Zr, and Ta complexes.","Acta crystallographica. Section C, Structural chemistry","2024","80","9","","","10.1107/S2053229624007411","","","0.71073","MoKα","","0.0371","0.027","","","0.0634","0.0681","","","","","","1.089","","","","has coordinates,has disorder","294213","2024-08-24","02:19:54",""
"2312592","8.1778","0.0001","12.3323","0.0001","15.9879","0.0002","69.166","0.001","77.689","0.001","88.572","0.001","1470.03","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(Acetato-κ<i>O</i>)(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) acetate hexahydrate","","- C26 H34 Cu N4 O10 -","- C26 H34 Cu N4 O10 -","- C52 H68 Cu2 N8 O20 -","2","1","ZO3050","Guimaraes, Samuel P.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L.","Coordination structure and intermolecular interactions in copper(II) acetate complexes with 1,10-phenanthroline and 2,2'-bipyridine.","Acta crystallographica. Section C, Structural chemistry","2024","80","9","","","10.1107/S2053229624007617","","","1.54184","CuKα","","0.0425","0.0403","","","0.132","0.1353","","","","","","0.857","","","","has coordinates,has disorder,has Fobs","294214","2024-08-24","02:20:26",""
"2312593","11.0826","0.0018","11.184","0.0019","12.188","0.0018","86.537","0.001","69.82","0.001","83.261","0.001","1407.8","0.4","150","2","293","2","","","","","","","","5","P -1","-P 1","2","","(Acetato-κ<i>O</i>)bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II) acetate–acetic acid–water (1/1/3)","","- C26 H32 Cu N4 O9 -","- C26 H32 Cu N4 O9 -","- C52 H64 Cu2 N8 O18 -","2","1","ZO3050","Guimaraes, Samuel P.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L.","Coordination structure and intermolecular interactions in copper(II) acetate complexes with 1,10-phenanthroline and 2,2'-bipyridine.","Acta crystallographica. Section C, Structural chemistry","2024","80","9","","","10.1107/S2053229624007617","","","0.71073","MoKα","","0.0363","0.0296","","","0.079","0.0815","","","","","","1.053","","","","has coordinates,has Fobs","294214","2024-08-24","02:20:27",""
"2312594","7.3659","0.0002","7.3659","0.0002","32.2318","0.0018","90","","90","","90","","1748.78","0.12","296","2","296","2","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- Ca5.79 K0.72 Na1.71 O19 Si6 -","- Ca5.786 K0.717 Na1.714 O19 Si6 -","- Ca23.144 K2.868 Na6.856 O76 Si24 -","4","0.5","DK5130","Kahlenberg, Volker; Krüger, Hannes; Garber, Sonja; Krüger, Biljana; Libowitzky, Eugen; Kröll, Stefanie; Hofer, Thomas S.; Gallmetzer, Josef M.; Purtscher, Felix R. S.","K<sub>0.72</sub>Na<sub>1.71</sub>Ca<sub>5.79</sub>Si<sub>6</sub>O<sub>19</sub> - the first oligosilicate based on [Si<sub>6</sub>O<sub>19</sub>]-hexamers and its stability compared to cyclosilicates.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","5","474","487","10.1107/S2052520624007352","","x-ray","0.71073","MoKα","","0.0261","0.0237","","","0.058","0.0591","","","","","","1.114","","","","has coordinates","296747","2024-12-07","16:59:49",""
"2312595","13.4299","0.0022","12.4338","0.0022","14.4959","0.0024","90","","111.519","0.008","90","","2251.9","0.7","100","2","100","2","","","","","","","synthesized by authors, see text","5","P 1 21/c 1","-P 2ybc","14","[(Bg)(HV10O285-)]0.4/[(HGU+)(HV10O286-)]0.6(H2Met2+)2(H3O+) Octahydrate","imidodicarbonimidic diamide bis(dihydro-3-(diaminomethylidene)-1,1-dimethylguanidine) bis(μ~6~-oxo)-tetrakis(μ~3~-oxo)-tetradecakis(μ~2~-oxo)-octa-oxo- deca-vanadium(V) octahydrate","","- C10 H53 N14.4 O37.6 V10 -","- C10 H49.4 N14.4 O37.6 V10 -","- C20 H98.8 N28.8 O75.2 V20 -","2","0.5","","Chatkon, Aungkana; Haller, Kenneth J.; Haller, Joseph P.","Substitutional/positional disorder of biguanide and guanylurea in the structure of a decavanadate complex [(Bg)(HV<sub>10</sub>O<sub>28</sub><sup>5-</sup>)]<sub>0.4</sub>[(HGU<sup>+</sup>)(V<sub>10</sub>O<sub>28</sub><sup>6-</sup>)]<sub>0.6</sub>(H<sub>2</sub>Met<sup>2+</sup>)<sub>2</sub>(H<sub>3</sub>O<sup>+</sup>)·8H<sub>2</sub>O.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","5","456","466","10.1107/S2052520624006929","","","0.71073","MoKα","","0.0378","0.0278","","","0.0676","0.0723","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","296750","2024-12-07","17:01:36",""
"2312596","7.3856","0.0002","8.408","0.0002","14.5603","0.0004","75.415","0.001","76.628","0.001","68.377","0.001","803.76","0.04","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[diaqua[μ~5~-2,2'-(1,3,5,7-tetraoxo-1,2,3,5,6,7-hexahydropyrrolo[3,4-<i>f</i>]isoindole-2,6-diyl)diacetato]barium(II)]","","- C14 H10 Ba N2 O10 -","- C14 H10 Ba N2 O10 -","- C28 H20 Ba2 N4 O20 -","2","1","YD3048","Ding, Xin Yu; Yu, Hai Yan; Zhang, Hong Tao; Wang, Xiao Long","A new three-dimensional barium(II) coordination polymer constructed from N,N'-bis(glycinyl)pyromellitic diimide: microwave-assisted synthesis, structure, Hirshfeld surface analysis and properties.","Acta crystallographica. Section C, Structural chemistry","2024","80","10","","","10.1107/S2053229624008544","","","0.71073","MoKα","","0.0205","0.0177","","","0.0402","0.0414","","","","","","1.064","","","","has coordinates,has Fobs","294356","2024-09-04","02:01:17",""
"2312597","4.9317","0.0015","5.441","0.002","14.014","0.005","84.255","0.01","88.521","0.009","87.532","0.009","373.7","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[diaqua[μ~4~-2,2'-(1,3,5,7-tetraoxo-1,2,3,5,6,7-hexahydropyrrolo[3,4-<i>f</i>]isoindole-2,6-diyl)diacetato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''']cadmium(II)]","","- C14 H10 Cd N2 O10 -","- C14 H10 Cd N2 O10 -","- C14 H10 Cd N2 O10 -","1","0.5","OP3031","Zhang, Zheng; Zhao, Lei; Yu, Hai Yan; Zhang, Hong Tao","2D coordination polymers of cadmium(II) and zinc(II) derived from N,N'-bis(glycinyl)pyromellitic diimide: microwave-assisted synthesis, structures, spectroscopic properties and influence of metal-ion size.","Acta crystallographica. Section C, Structural chemistry","2024","80","10","","","10.1107/S2053229624008003","","","0.71073","MoKα","","0.0319","0.0301","","","0.0734","0.0745","","","","","","1.07","","","","has coordinates,has Fobs","294357","2024-09-04","02:01:46",""
"2312598","10.768","0.0012","5.0511","0.0005","29.334","0.003","90","","94.409","0.002","90","","1590.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[tetraaqua[μ~4~-2,2'-(1,3,5,7-tetraoxo-1,2,3,5,6,7-hexahydropyrrolo[3,4-<i>f</i>]isoindole-2,6-diyl)diacetato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''] [μ~2~-2,2'-(1,3,5,7-tetraoxo-1,2,3,5,6,7-hexahydropyrrolo[3,4-<i>f</i>]isoindole-2,6-diyl)diacetato-κ^2^<i>O</i>:<i>O</i>']dizinc(II)] dihydrate]","","- C14 H12 N2 O11 Zn -","- C14 H12 N2 O11 Zn -","- C56 H48 N8 O44 Zn4 -","4","1","OP3031","Zhang, Zheng; Zhao, Lei; Yu, Hai Yan; Zhang, Hong Tao","2D coordination polymers of cadmium(II) and zinc(II) derived from N,N'-bis(glycinyl)pyromellitic diimide: microwave-assisted synthesis, structures, spectroscopic properties and influence of metal-ion size.","Acta crystallographica. Section C, Structural chemistry","2024","80","10","","","10.1107/S2053229624008003","","","0.71073","MoKα","","0.0748","0.0433","","","0.1008","0.1152","","","","","","1.014","","","","has coordinates,has Fobs","294357","2024-09-04","02:01:48",""
"2312599","12.0315","0.001","14.8174","0.0013","10.3002","0.0008","90","","90","","90","","1836.3","0.3","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Chlorido(subphthalocyaninato)boron","","- C24 H12 B Cl N6 -","- C24 H12 B Cl N6 -","- C96 H48 B4 Cl4 N24 -","4","0.5","DG3059","Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P.","The influence of the axial group on the crystal structures of boron subphthalocyanines.","Acta crystallographica. Section C, Structural chemistry","2024","80","10","","","10.1107/S2053229624006934","","","1.54178","CuKα","","0.0444","0.0354","","","0.0883","0.0965","","","","","","1.062","","","","has coordinates","294359","2024-09-04","02:05:01",""
"2312600","12.001","0.0006","15.0617","0.0008","10.3879","0.0005","90","","90","","90","","1877.67","0.16","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Bromido(subphthalocyaninato)boron","","- C24 H12 B Br N6 -","- C24 H12 B Br N6 -","- C96 H48 B4 Br4 N24 -","4","0.5","DG3059","Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P.","The influence of the axial group on the crystal structures of boron subphthalocyanines.","Acta crystallographica. Section C, Structural chemistry","2024","80","10","","","10.1107/S2053229624006934","","","0.71073","MoKα","","0.0262","0.0211","","","0.0546","0.0569","","","","","","1.093","","","","has coordinates","294359","2024-09-04","02:05:04",""
"2312601","12.3162","0.0011","15.2325","0.0019","10.4151","0.001","90","","90","","90","","1953.9","0.4","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Methanolato)(subphthalocyaninato)boron","","- C25 H15 B N6 O -","- C25 H15 B N6 O -","- C100 H60 B4 N24 O4 -","4","0.5","DG3059","Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P.","The influence of the axial group on the crystal structures of boron subphthalocyanines.","Acta crystallographica. Section C, Structural chemistry","2024","80","10","","","10.1107/S2053229624006934","","","1.54178","CuKα","","0.0374","0.0321","","","0.0749","0.0778","","","","","","1.078","","","","has coordinates","294359","2024-09-04","02:05:05",""
"2312602","9.0313","0.0014","14.22","0.002","16.474","0.002","90","","102.667","0.004","90","","2064.2","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Ethanolato)(subphthalocyaninato)boron","","- C26 H17 B N6 O -","- C26 H17 B N6 O -","- C104 H68 B4 N24 O4 -","4","1","DG3059","Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P.","The influence of the axial group on the crystal structures of boron subphthalocyanines.","Acta crystallographica. Section C, Structural chemistry","2024","80","10","","","10.1107/S2053229624006934","","","0.71073","MoKα","","0.082","0.0466","","","0.0871","0.0978","","","","","","1.037","","","","has coordinates","294359","2024-09-04","02:05:05",""
"2312603","9.0304","0.0005","14.2423","0.0008","16.4452","0.0009","90","","102.476","0.003","90","","2065.1","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Ethanolato)(subphthalocyaninato)boron","","- C26 H17 B N6 O -","- C26 H17 B N6 O -","- C104 H68 B4 N24 O4 -","4","1","DG3059","Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P.","The influence of the axial group on the crystal structures of boron subphthalocyanines.","Acta crystallographica. Section C, Structural chemistry","2024","80","10","","","10.1107/S2053229624006934","","","1.54178","CuKα","","0.0441","0.0388","","","0.0987","0.1021","","","","","","1.053","","","","has coordinates","294359","2024-09-04","02:05:07",""
"2312604","10.4664","0.0006","15.4986","0.0008","14.3171","0.0008","90","","110.221","0.003","90","","2179.3","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Subphthalocyaninato)(2,2,2-trifluoroethanolato)boron","","- C26 H14 B F3 N6 O -","- C26 H14 B F3 N6 O -","- C104 H56 B4 F12 N24 O4 -","4","1","DG3059","Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P.","The influence of the axial group on the crystal structures of boron subphthalocyanines.","Acta crystallographica. Section C, Structural chemistry","2024","80","10","","","10.1107/S2053229624006934","","","1.54178","CuKα","","0.052","0.039","","","0.0981","0.1072","","","","","","1.042","","","","has coordinates","294359","2024-09-04","02:05:08",""
"2312605","14.6398","0.0008","15.2842","0.0009","20.5313","0.0012","90","","90","","90","","4594","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Butanolato)(subphthalocyaninato)boron","","- C28 H21 B N6 O -","- C28 H21 B N6 O -","- C224 H168 B8 N48 O8 -","8","1","DG3059","Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P.","The influence of the axial group on the crystal structures of boron subphthalocyanines.","Acta crystallographica. Section C, Structural chemistry","2024","80","10","","","10.1107/S2053229624006934","","","1.54178","CuKα","","0.0492","0.038","","","0.0888","0.0949","","","","","","1.067","","","","has coordinates","294359","2024-09-04","02:05:10",""
"2312606","14.3815","0.0007","8.2702","0.0004","19.866","0.0009","90","","102.074","0.002","90","","2310.55","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>tert</i>-Butanolato)(subphthalocyaninato)boron","","- C28 H21 B N6 O -","- C28 H21 B N6 O -","- C112 H84 B4 N24 O4 -","4","1","DG3059","Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P.","The influence of the axial group on the crystal structures of boron subphthalocyanines.","Acta crystallographica. Section C, Structural chemistry","2024","80","10","","","10.1107/S2053229624006934","","","1.54178","CuKα","","0.0443","0.035","","","0.0844","0.0887","","","","","","1.05","","","","has coordinates","294359","2024-09-04","02:05:11",""
"2312607","15.3028","0.0007","16.2278","0.0007","17.3604","0.0007","103.045","0.003","105.716","0.003","94.022","0.003","4003","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(Octanolato)(subphthalocyaninato)boron","","- C192 H178 B6 N36 O7 -","- C192 H178 B6 N36 O7 -","- C192 H178 B6 N36 O7 -","1","0.5","DG3059","Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P.","The influence of the axial group on the crystal structures of boron subphthalocyanines.","Acta crystallographica. Section C, Structural chemistry","2024","80","10","","","10.1107/S2053229624006934","","","1.54178","CuKα","","0.0725","0.054","","","0.1367","0.1487","","","","","","1.048","","","","has coordinates,has disorder","294359","2024-09-04","02:05:20",""
"2312608","10.0268","0.001","10.7263","0.0012","11.809","0.0013","85.879","0.004","77.44","0.003","66.151","0.003","1133.6","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(Phenolato)(subphthalocyaninato)boron","","- C30 H17 B N6 O -","- C30 H17 B N6 O -","- C60 H34 B2 N12 O2 -","2","1","DG3059","Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P.","The influence of the axial group on the crystal structures of boron subphthalocyanines.","Acta crystallographica. Section C, Structural chemistry","2024","80","10","","","10.1107/S2053229624006934","","","0.71073","MoKα","","0.0628","0.0391","","","0.0871","0.0951","","","","","","1.032","","","","has coordinates","294359","2024-09-04","02:05:22",""
"2312609","17.133","0.003","13.929","0.002","10.3669","0.0016","90","","90","","90","","2474","0.7","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Naphthalen-2-olato)(subphthalocyaninato)boron","","- C34 H19 B N6 O -","- C34 H19 B N6 O -","- C136 H76 B4 N24 O4 -","4","0.5","DG3059","Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P.","The influence of the axial group on the crystal structures of boron subphthalocyanines.","Acta crystallographica. Section C, Structural chemistry","2024","80","10","","","10.1107/S2053229624006934","","","0.71073","MoKα","","0.1033","0.0523","","","0.0997","0.1186","","","","","","1.045","","","","has coordinates,has disorder","294359","2024-09-04","02:05:35",""
"2312610","9.3432","0.0009","9.3548","0.0007","12.3322","0.0012","104.203","0.002","100.751","0.003","90.701","0.002","1024.69","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(Acetato)(subphthalocyaninato)boron","","- C26 H15 B N6 O2 -","- C26 H15 B N6 O2 -","- C52 H30 B2 N12 O4 -","2","1","DG3059","Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P.","The influence of the axial group on the crystal structures of boron subphthalocyanines.","Acta crystallographica. Section C, Structural chemistry","2024","80","10","","","10.1107/S2053229624006934","","","0.71073","MoKα","","0.0536","0.0378","","","0.09","0.0963","","","","","","1.029","","","","has coordinates","294359","2024-09-04","02:05:59",""
"2312611","15.671","0.002","11.192","0.0013","15.2363","0.0019","90","","115.386","0.004","90","","2414.3","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Benzoato)(subphthalocyaninato)boron","","- C31 H17 B N6 O2 -","- C31 H17 B N6 O2 -","- C124 H68 B4 N24 O8 -","4","1","DG3059","Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P.","The influence of the axial group on the crystal structures of boron subphthalocyanines.","Acta crystallographica. Section C, Structural chemistry","2024","80","10","","","10.1107/S2053229624006934","","","0.71073","MoKα","","0.0662","0.0401","","","0.0852","0.0945","","","","","","1.026","","","","has coordinates","294359","2024-09-04","02:06:09",""
"2312612","16.343","0.003","11.9655","0.0016","12.5059","0.0019","90","","99.996","0.011","90","","2408.4","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Subphthalocyaninato)(trimethylsilanolato)boron","","- C27 H21 B N6 O Si -","- C27 H21 B N6 O Si -","- C108 H84 B4 N24 O4 Si4 -","4","1","DG3059","Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P.","The influence of the axial group on the crystal structures of boron subphthalocyanines.","Acta crystallographica. Section C, Structural chemistry","2024","80","10","","","10.1107/S2053229624006934","","","1.54178","CuKα","","0.087","0.054","","","0.1052","0.1233","","","","","","1.051","","","","has coordinates","294359","2024-09-04","02:06:22",""
"2312613","10.701","0.0005","11.8651","0.0006","22.4968","0.0013","95.863","0.002","92.861","0.002","115.433","0.002","2552.1","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","(2,3,4,5,6-Pentafluorobenzenethiolato)(subphthalocyaninato)boron","","- C30 H12 B F5 N6 S -","- C30 H12 B F5 N6 S -","- C120 H48 B4 F20 N24 S4 -","4","2","DG3059","Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P.","The influence of the axial group on the crystal structures of boron subphthalocyanines.","Acta crystallographica. Section C, Structural chemistry","2024","80","10","","","10.1107/S2053229624006934","","","0.71073","MoKα","","0.0838","0.0434","","","0.0895","0.1022","","","","","","1.019","","","","has coordinates","294359","2024-09-04","02:06:24",""
"2312614","49.653","0.004","12.1268","0.001","27.559","0.002","90","","114.838","0.004","90","","15059","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(4-Methylbenzenethiolato)(subphthalocyaninato)boron","","- C31 H19 B N6 S -","- C31 H19 B N6 S -","- C744 H456 B24 N144 S24 -","24","3","DG3059","Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P.","The influence of the axial group on the crystal structures of boron subphthalocyanines.","Acta crystallographica. Section C, Structural chemistry","2024","80","10","","","10.1107/S2053229624006934","","","1.54178","CuKα","","0.1172","0.0978","","","0.2329","0.2419","","","","","","1.092","","","","has coordinates","294359","2024-09-04","02:06:39",""
"2312615","11.4897","0.0005","11.7489","0.0005","19.3046","0.0008","73.348","0.002","81.941","0.002","76.167","0.002","2417.05","0.18","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(<i>N</i>-Phenylbenzamido)(subphthalocyaninato)boron","","- C31 H20.28 B N7 O0.14 -","- C31 H20.281 B N7 O0.1405 -","- C124 H81.124 B4 N28 O0.562 -","4","2","DG3059","Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P.","The influence of the axial group on the crystal structures of boron subphthalocyanines.","Acta crystallographica. Section C, Structural chemistry","2024","80","10","","","10.1107/S2053229624006934","","","1.54178","CuKα","","0.0429","0.0366","","","0.0897","0.093","","","","","","1.062","","","","has coordinates","294359","2024-09-04","02:06:50",""
"2312616","10.3502","0.0004","20.7509","0.0008","12.2816","0.0005","90","","114.734","0.002","90","","2395.8","0.17","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>N</i>-Phenylbenzamido)(subphthalocyaninato)boron","","- C31 H20 B N7 -","- C31 H20 B N7 -","- C124 H80 B4 N28 -","4","1","DG3059","Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P.","The influence of the axial group on the crystal structures of boron subphthalocyanines.","Acta crystallographica. Section C, Structural chemistry","2024","80","10","","","10.1107/S2053229624006934","","","1.54178","CuKα","","0.067","0.0554","","","0.1537","0.1646","","","","","","1.062","","","","has coordinates","294359","2024-09-04","02:07:00",""
"2312617","9.1587","0.0004","9.5551","0.0004","10.5041","0.0005","90","","90","","90","","919.24","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Calcium (2<i>R</i>,3<i>R</i>)-tartrate tetrahydrate","Poly[[diaqua[μ~4~-(2<i>R</i>,3<i>R</i>)-2,3-dihydroxybutanedioato]calcium(II)] dihydrate]","","- C4 H12 Ca O10 -","- C4 H12 Ca O10 -","- C16 H48 Ca4 O40 -","4","1","DG3060","Polo, Alvaro; Soriano, Alejandro; Rodríguez, Ricardo; Macías, Ramón; García-Orduña, Pilar; Sanz Miguel, Pablo J.","Revisiting a natural wine salt: calcium (2R,3R)-tartrate tetrahydrate.","Acta crystallographica. Section C, Structural chemistry","2024","80","10","","","10.1107/S2053229624008015","","","0.71073","MoKα","","0.0138","0.0137","","","0.0351","0.0352","","","","","","1.09","","","","has coordinates","294360","2024-09-04","02:07:59",""
"2312618","8.1508","0.0004","11.0066","0.0005","25.7084","0.0012","90","","90","","90","","2306.37","0.19","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Matrine caffeinate sesquihydrate","(1<i>R</i>,2<i>R</i>,9<i>S</i>,17<i>S</i>)-6-Oxo-7,13-diazatetracyclo[7.7.1.0^2,7^.0^13,17^]heptadecan-13-ium (2<i>E</i>)-3-(3,4-dihydroxyphenyl)prop-2-enoate sesquihydrate","","- C24 H35 N2 O6.5 -","- C24 H35 N2 O6.5 -","- C96 H140 N8 O26 -","4","1","OP3032","Liu, Jiyong; Shi, Dier; Yu, Kaxi; Liu, Shuna; Chen, Linshen; Hu, Xiurong","Crystal structures and properties of derivatives of the alkaloid matrine: salts and hydrate forms.","Acta crystallographica. Section C, Structural chemistry","2024","80","10","","","10.1107/S2053229624008064","","","1.34139","GaKα","","0.0404","0.0372","","","0.0947","0.0968","","","","","","1.084","","","","has coordinates,has Fobs","294362","2024-09-04","02:09:04",""
"2312619","9.2999","0.0004","12.7329","0.0005","17.5349","0.0008","90","","90","","90","","2076.39","0.15","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Matrine salicylate monohydrate","(1<i>R</i>,2<i>R</i>,9<i>S</i>,17<i>S</i>)-6-Oxo-7,13-diazatetracyclo[7.7.1.0^2,7^.0^13,17^]heptadecan-13-ium 2-hydroxybenzoate monohydrate","","- C22 H32 N2 O5 -","- C22 H32 N2 O5 -","- C88 H128 N8 O20 -","4","1","OP3032","Liu, Jiyong; Shi, Dier; Yu, Kaxi; Liu, Shuna; Chen, Linshen; Hu, Xiurong","Crystal structures and properties of derivatives of the alkaloid matrine: salts and hydrate forms.","Acta crystallographica. Section C, Structural chemistry","2024","80","10","","","10.1107/S2053229624008064","","","1.34139","GaKα","","0.0315","0.0308","","","0.0801","0.0806","","","","","","1.062","","","","has coordinates,has Fobs","294362","2024-09-04","02:09:05",""
"2312620","11.7364","0.0003","11.7364","0.0003","21.9295","0.0009","90","","90","","90","","3020.64","0.17","170","","170","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","Matrine 1.75-hydrate","(1<i>R</i>,2<i>R</i>,9<i>S</i>,17<i>S</i>)-7,13-Diazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadecan-6-one 1.75-hydrate","","- C15 H27.5 N2 O2.75 -","- C15 H27.5 N2 O2.75 -","- C120 H220 N16 O22 -","8","1","OP3032","Liu, Jiyong; Shi, Dier; Yu, Kaxi; Liu, Shuna; Chen, Linshen; Hu, Xiurong","Crystal structures and properties of derivatives of the alkaloid matrine: salts and hydrate forms.","Acta crystallographica. Section C, Structural chemistry","2024","80","10","","","10.1107/S2053229624008064","","","1.34139","GaKα","","0.0407","0.0366","","","0.0936","0.0952","","","","","","1.083","","","","has coordinates,has disorder,has Fobs","294362","2024-09-04","02:09:05",""
"2312621","13.3799","0.0008","13.7269","0.0012","21.7569","0.0013","83.135","0.006","81.967","0.005","86.064","0.006","3922.9","0.5","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","Tetrakis(μ-3,4-diethoxybenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(ethanol-κ<i>O</i>)copper(II)]","","- C48 H64 Cu2 O18 -","- C48 H64 Cu2 O18 -","- C144 H192 Cu6 O54 -","3","1.5","ZO3055","Bermúdez, Mariano Marziali; Muller, Federico G.; Baggio, Ricardo; Cukiernik, Fabio D.","Synthesis, crystal structure, magnetic behaviour and thermal stability of a paddle-wheel copper(II) complex bearing equatorial 3,4-diethoxybenzoate ligands.","Acta crystallographica. Section C, Structural chemistry","2024","80","10","","","10.1107/S2053229624008465","","","0.71073","MoKα","","0.1044","0.0655","","","0.1533","0.1891","","","","","","0.958","","","","has coordinates,has Fobs","294387","2024-09-05","01:48:43",""
"2312622","44.4766","0.0003","21.3079","0.0001","10.3339","0.0001","90","","109.625","0.001","90","","9224.57","0.13","301","2","301","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[dodecaaquabis(μ-pyridine-4-carbohydrazide-κ^2^<i>N</i>:<i>O</i>)bis(μ~2~-4-sulfobenzoato-κ^2^<i>O</i>:<i>O</i>')bis(μ~3~-4-sulfobenzoato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>'')trineodymium(III)] <i>catena</i>-poly[aquabis(μ-pyridine-4-carbohydrazide-κ^2^<i>N</i>:<i>O</i>)bis(μ~2~-4-sulfobenzoato-κ^2^<i>O</i>:<i>O</i>')neodymium(III)] 4.33-hydrate","","- C66 H86.67 N12 Nd4 O51.33 S6 -","- C66 H85.6666 N12 Nd4 O51.3333 S6 -","- C264 H342.666 N48 Nd16 O205.333 S24 -","4","0.5","ZO3051","Calisto, Victoria F. M.; De Abreu, Heitor A.; Diniz, Renata","Experimental and theoretical structural investigation of an ionic Nd coordination polymer.","Acta crystallographica. Section C, Structural chemistry","2024","80","10","","","10.1107/S2053229624008428","","x-ray","1.54184","CuKα","","0.0242","0.023","","","0.0592","0.0598","","","","","","1.063","","","","has coordinates,has Fobs","294388","2024-09-05","01:49:23",""
"2312623","8.6226","0.0003","8.9645","0.0003","12.8206","0.0005","81.491","0.003","71.357","0.003","65.064","0.004","851.36","0.06","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H28 Co N6 O8.5 V2 -","- C6 H28 Co N6 O8.5 V2 -","- C12 H56 Co2 N12 O17 V4 -","2","1","","Vosegaard, Emilie Skytte; Mamakhel, Mohammad Aref Hasen; Parmar, Vijay Singh; Bertelsen, Andreas Dueholm; Iversen, Bo Brummerstedt","Synthesis and characterization of an organic-inorganic hybrid crystal: 2[Co(en)<sub>3</sub>](V<sub>4</sub>O<sub>13</sub>)·4H<sub>2</sub>O.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","5","488","494","10.1107/S2052520624007509","","x-ray","0.71073","MoKα","","0.029","0.0272","","","0.0717","0.0727","","","","","","1.057","","","","has coordinates","296746","2024-12-07","16:59:37",""
"2312624","6.9525","0.0018","6.9525","0.0018","4.1962","0.0016","90","","90","","90","","202.83","0.11","293","2","293","2","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","","","- C Mo Si2 Y2 -","- C Mo Si2 Y2 -","- C2 Mo2 Si4 Y4 -","2","0.125","","Vernière, Anne; Diop, Léopold V B; Sarr, Ibrahima; Schweitzer, Thierry; Malaman, Bernard","Crystal structure of new quaternary intermetallic compounds R<sub>2</sub>MoSi<sub>2</sub>C (R = Y, Gd).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","5","504","508","10.1107/S2052520624007017","","","0.71073","MoKα","","0.0323","0.0258","","","0.057","0.0589","","","","","","1.194","","","","has coordinates,has Fobs","296748","2024-12-07","16:59:58",""
"2312625","6.9945","0.0016","6.9945","0.0016","4.202","0.0014","90","","90","","90","","205.57","0.1","293","2","293","2","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","","","- C Gd2 Mo Si2 -","- C Gd2 Mo Si2 -","- C2 Gd4 Mo2 Si4 -","2","0.125","","Vernière, Anne; Diop, Léopold V B; Sarr, Ibrahima; Schweitzer, Thierry; Malaman, Bernard","Crystal structure of new quaternary intermetallic compounds R<sub>2</sub>MoSi<sub>2</sub>C (R = Y, Gd).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","5","504","508","10.1107/S2052520624007017","","","0.71073","MoKα","","0.0209","0.0191","","","0.0371","0.0378","","","","","","1.133","","","","has coordinates,has Fobs","296748","2024-12-07","16:59:58",""
"2312626","6.0132","0.0006","6.0132","0.0006","6.513","0.0009","90","","90","","120","","203.95","0.04","100","","100","","","","","","","","","3","P 63/m","-P 6c","176","","Thiophosgene","","- C Cl2 S -","- C Cl2.0001 S0.9999 -","- C2 Cl4.0002 S1.9998 -","2","0.166667","","Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic","A comprehensive characterization of thiophosgene in the solid state","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2024","80","5","495","503","10.1107/S2052520624007583","","x-ray","1.54186","CuKα","K-L~2,3~","0.0595","0.0564","","","0.1343","0.1414","","","","","","1.191","","","","has coordinates","296749","2024-12-07","17:01:20",""
"2312627","5.947142","0.00002","5.947142","","6.236672","0.000026","90","","90","","120","","191.029","0.001","20","","20","","","","","","","","Sigma Aldrich 115150","3","P 63/m","-P 6c","176","thiophosgene","carbonothioyl dichloride","","- C Cl2 S -","- C Cl2.00001 S0.99999 -","- C2 Cl4.00002 S1.99998 -","2","0.166667","DQ5061","Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic","A comprehensive characterization of thiophosgene in the solid state","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2024","80","5","495","503","10.1107/S2052520624007583","powder diffraction","neutron","","white-beam","","","","","","","","0.06397","","0.99","","","","","","","has coordinates","296749","2024-12-07","17:01:20",""
"2312628","5.948306","0.00002","5.948306","","6.241408","0.000026","90","","90","","120","","191.249","0.001","30","","30","","","","","","","","Sigma Aldrich 115150","3","P 63/m","-P 6c","176","thiophosgene","carbonothioyl dichloride","","- C Cl2 S -","- C Cl2.00001 S0.99999 -","- C2 Cl4.00002 S1.99998 -","2","0.166667","DQ5061","Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic","A comprehensive characterization of thiophosgene in the solid state","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2024","80","5","495","503","10.1107/S2052520624007583","powder diffraction","neutron","","white-beam","","","","","","","","0.07782","","0.99","","","","","","","has coordinates","296749","2024-12-07","17:01:20",""
"2312629","5.94993","0.00002","5.94993","","6.248669","0.000027","90","","90","","120","","191.576","0.001","40","","40","","","","","","","","Sigma Aldrich 115150","3","P 63/m","-P 6c","176","thiophosgene","carbonothioyl dichloride","","- C Cl2 S -","- C Cl2.00001 S0.99999 -","- C2 Cl4.00002 S1.99998 -","2","0.166667","DQ5061","Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic","A comprehensive characterization of thiophosgene in the solid state","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2024","80","5","495","503","10.1107/S2052520624007583","powder diffraction","neutron","","white-beam","","","","","","","","0.06339","","0.99","","","","","","","has coordinates","296749","2024-12-07","17:01:20",""
"2312630","5.951973","0.000012","5.951973","","6.257723","0.000015","90","","90","","120","","191.986","0.0006","50","","50","","","","","","","","Sigma Aldrich 115150","3","P 63/m","-P 6c","176","thiophosgene","carbonothioyl dichloride","","- C Cl2 S -","- C Cl2.00001 S0.99999 -","- C2 Cl4.00002 S1.99998 -","2","0.166667","DQ5061","Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic","A comprehensive characterization of thiophosgene in the solid state","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2024","80","5","495","503","10.1107/S2052520624007583","powder diffraction","neutron","","white-beam","","","","","","","","0.07479","","1.19","","","","","","","has coordinates","296749","2024-12-07","17:01:20",""
"2312631","5.954232","0.000021","5.954232","","6.268135","0.000029","90","","90","","120","","192.451","0.0011","60","","60","","","","","","","","Sigma Aldrich 115150","3","P 63/m","-P 6c","176","thiophosgene","carbonothioyl dichloride","","- C Cl2 S -","- C Cl2.00001 S0.99999 -","- C2 Cl4.00002 S1.99998 -","2","0.166667","DQ5061","Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic","A comprehensive characterization of thiophosgene in the solid state","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2024","80","5","495","503","10.1107/S2052520624007583","powder diffraction","neutron","","white-beam","","","","","","","","0.07857","","0.99","","","","","","","has coordinates","296749","2024-12-07","17:01:20",""
"2312632","5.956673","0.000022","5.956673","","6.279521","0.00003","90","","90","","120","","192.959","0.0012","70","","70","","","","","","","","Sigma Aldrich 115150","3","P 63/m","-P 6c","176","thiophosgene","carbonothioyl dichloride","","- C Cl2 S -","- C Cl2.00001 S0.99999 -","- C2 Cl4.00002 S1.99998 -","2","0.166667","DQ5061","Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic","A comprehensive characterization of thiophosgene in the solid state","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2024","80","5","495","503","10.1107/S2052520624007583","powder diffraction","neutron","","white-beam","","","","","","","","0.09428","","0.98","","","","","","","has coordinates","296749","2024-12-07","17:01:20",""
"2312633","5.959287","0.000022","5.959287","","6.291645","0.000031","90","","90","","120","","193.501","0.0012","80","","80","","","","","","","","Sigma Aldrich 115150","3","P 63/m","-P 6c","176","thiophosgene","carbonothioyl dichloride","","- C Cl2 S -","- C Cl2.00001 S0.99999 -","- C2 Cl4.00002 S1.99998 -","2","0.166667","DQ5061","Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic","A comprehensive characterization of thiophosgene in the solid state","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2024","80","5","495","503","10.1107/S2052520624007583","powder diffraction","neutron","","white-beam","","","","","","","","0.0941","","0.98","","","","","","","has coordinates","296749","2024-12-07","17:01:20",""
"2312634","5.961975","0.000023","5.961975","","6.304428","0.000031","90","","90","","120","","194.069","0.0012","90","","90","","","","","","","","Sigma Aldrich 115150","3","P 63/m","-P 6c","176","thiophosgene","carbonothioyl dichloride","","- C Cl2 S -","- C Cl2.00001 S0.99999 -","- C2 Cl4.00002 S1.99998 -","2","0.166667","DQ5061","Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic","A comprehensive characterization of thiophosgene in the solid state","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2024","80","5","495","503","10.1107/S2052520624007583","powder diffraction","neutron","","white-beam","","","","","","","","0.10944","","0.99","","","","","","","has coordinates","296749","2024-12-07","17:01:20",""
"2312635","5.964911","0.000013","5.964911","","6.317775","0.000018","90","","90","","120","","194.672","0.0007","100","","100","","","","","","","","Sigma Aldrich 115150","3","P 63/m","-P 6c","176","thiophosgene","carbonothioyl dichloride","","- C Cl2 S -","- C Cl2.00001 S0.99999 -","- C2 Cl4.00002 S1.99998 -","2","0.166667","DQ5061","Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic","A comprehensive characterization of thiophosgene in the solid state","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2024","80","5","495","503","10.1107/S2052520624007583","powder diffraction","neutron","","white-beam","","","","","","","","0.10327","","1.16","","","","","","","has coordinates","296749","2024-12-07","17:01:20",""
"2312636","5.967823","0.000025","5.967823","","6.331802","0.000035","90","","90","","120","","195.294","0.0014","110","","110","","","","","","","","Sigma Aldrich 115150","3","P 63/m","-P 6c","176","thiophosgene","carbonothioyl dichloride","","- C Cl2 S -","- C Cl2.00001 S0.99999 -","- C2 Cl4.00002 S1.99998 -","2","0.166667","DQ5061","Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic","A comprehensive characterization of thiophosgene in the solid state","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2024","80","5","495","503","10.1107/S2052520624007583","powder diffraction","neutron","","white-beam","","","","","","","","0.13634","","0.99","","","","","","","has coordinates","296749","2024-12-07","17:01:20",""
"2312637","5.970876","0.000023","5.970876","","6.346393","0.000032","90","","90","","120","","195.945","0.0012","120","","120","","","","","","","","Sigma Aldrich 115150","3","P 63/m","-P 6c","176","thiophosgene","carbonothioyl dichloride","","- C Cl2 S -","- C Cl2.00001 S0.99999 -","- C2 Cl4.00002 S1.99998 -","2","0.166667","DQ5061","Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic","A comprehensive characterization of thiophosgene in the solid state","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2024","80","5","495","503","10.1107/S2052520624007583","powder diffraction","neutron","","white-beam","","","","","","","","0.1376","","1.01","","","","","","","has coordinates","296749","2024-12-07","17:01:20",""
"2312638","5.973921","0.000022","5.973921","","6.361643","0.000032","90","","90","","120","","196.616","0.0012","130","","130","","","","","","","","Sigma Aldrich 115150","3","P 63/m","-P 6c","176","thiophosgene","carbonothioyl dichloride","","- C Cl2 S -","- C Cl2.00001 S0.99999 -","- C2 Cl4.00002 S1.99998 -","2","0.166667","DQ5061","Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic","A comprehensive characterization of thiophosgene in the solid state","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2024","80","5","495","503","10.1107/S2052520624007583","powder diffraction","neutron","","white-beam","","","","","","","","0.16635","","1.01","","","","","","","has coordinates","296749","2024-12-07","17:01:20",""
"2312639","5.977085","0.000023","5.977085","","6.377402","0.000032","90","","90","","120","","197.312","0.0012","140","","140","","","","","","","","Sigma Aldrich 115150","3","P 63/m","-P 6c","176","thiophosgene","carbonothioyl dichloride","","- C Cl2 S -","- C Cl2.00001 S0.99999 -","- C2 Cl4.00002 S1.99998 -","2","0.166667","DQ5061","Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic","A comprehensive characterization of thiophosgene in the solid state","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2024","80","5","495","503","10.1107/S2052520624007583","powder diffraction","neutron","","white-beam","","","","","","","","0.16032","","1.01","","","","","","","has coordinates","296749","2024-12-07","17:01:20",""
"2312640","5.98029","0.000013","5.98029","","6.393824","0.000018","90","","90","","120","","198.032","0.0007","150","","150","","","","","","","","Sigma Aldrich 115150","3","P 63/m","-P 6c","176","thiophosgene","carbonothioyl dichloride","","- C Cl2 S -","- C Cl2.00001 S0.99999 -","- C2 Cl4.00002 S1.99998 -","2","0.166667","DQ5061","Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic","A comprehensive characterization of thiophosgene in the solid state","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2024","80","5","495","503","10.1107/S2052520624007583","powder diffraction","neutron","","white-beam","","","","","","","","0.16813","","1.26","","","","","","","has coordinates","296749","2024-12-07","17:01:20",""
"2312641","5.983549","0.000023","5.983549","","6.410593","0.000033","90","","90","","120","","198.768","0.0013","160","","160","","","","","","","","Sigma Aldrich 115150","3","P 63/m","-P 6c","176","thiophosgene","carbonothioyl dichloride","","- C Cl2 S -","- C Cl2.00001 S0.99999 -","- C2 Cl4.00002 S1.99998 -","2","0.166667","DQ5061","Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic","A comprehensive characterization of thiophosgene in the solid state","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2024","80","5","495","503","10.1107/S2052520624007583","powder diffraction","neutron","","white-beam","","","","","","","","0.21184","","1.02","","","","","","","has coordinates","296749","2024-12-07","17:01:20",""
"2312642","5.986904","0.000024","5.986904","","6.42811","0.000034","90","","90","","120","","199.535","0.0013","170","","170","","","","","","","","Sigma Aldrich 115150","3","P 63/m","-P 6c","176","thiophosgene","carbonothioyl dichloride","","- C Cl2 S -","- C Cl2.00001 S0.99999 -","- C2 Cl4.00002 S1.99998 -","2","0.166667","DQ5061","Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic","A comprehensive characterization of thiophosgene in the solid state","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2024","80","5","495","503","10.1107/S2052520624007583","powder diffraction","neutron","","white-beam","","","","","","","","0.20657","","1.01","","","","","","","has coordinates","296749","2024-12-07","17:01:20",""
"2312643","5.990647","0.000024","5.990647","","6.446911","0.000035","90","","90","","120","","200.369","0.0014","180","","180","","","","","","","","Sigma Aldrich 115150","3","P 63/m","-P 6c","176","thiophosgene","carbonothioyl dichloride","","- C Cl2 S -","- C Cl2.00001 S0.99999 -","- C2 Cl4.00002 S1.99998 -","2","0.166667","DQ5061","Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic","A comprehensive characterization of thiophosgene in the solid state","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2024","80","5","495","503","10.1107/S2052520624007583","powder diffraction","neutron","","white-beam","","","","","","","","0.19772","","1","","","","","","","has coordinates","296749","2024-12-07","17:01:20",""
"2312644","5.994491","0.000024","5.994491","","6.46654","0.00004","90","","90","","120","","201.237","0.0015","190","","190","","","","","","","","Sigma Aldrich 115150","3","P 63/m","-P 6c","176","thiophosgene","carbonothioyl dichloride","","- C Cl2 S -","- C Cl2.00001 S0.99999 -","- C2 Cl4.00002 S1.99998 -","2","0.166667","DQ5061","Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic","A comprehensive characterization of thiophosgene in the solid state","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2024","80","5","495","503","10.1107/S2052520624007583","powder diffraction","neutron","","white-beam","","","","","","","","0.23554","","0.99","","","","","","","has coordinates","296749","2024-12-07","17:01:20",""
"2312645","5.998426","0.000014","5.998426","","6.487189","0.000021","90","","90","","120","","202.144","0.0008","200","","200","","","","","","","","Sigma Aldrich 115150","3","P 63/m","-P 6c","176","thiophosgene","carbonothioyl dichloride","","- C Cl2 S -","- C Cl2.00001 S0.99999 -","- C2 Cl4.00002 S1.99998 -","2","0.166667","DQ5061","Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic","A comprehensive characterization of thiophosgene in the solid state","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2024","80","5","495","503","10.1107/S2052520624007583","powder diffraction","neutron","","white-beam","","","","","","","","0.20388","","1.22","","","","","","","has coordinates","296749","2024-12-07","17:01:20",""
"2312646","6.0025","0.000025","6.0025","","6.50883","0.00004","90","","90","","120","","203.094","0.0015","210","","210","","","","","","","","Sigma Aldrich 115150","3","P 63/m","-P 6c","176","thiophosgene","carbonothioyl dichloride","","- C Cl2 S -","- C Cl2.00001 S0.99999 -","- C2 Cl4.00002 S1.99998 -","2","0.166667","DQ5061","Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic","A comprehensive characterization of thiophosgene in the solid state","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2024","80","5","495","503","10.1107/S2052520624007583","powder diffraction","neutron","","white-beam","","","","","","","","0.26668","","1.03","","","","","","","has coordinates","296749","2024-12-07","17:01:20",""
"2312647","6.006775","0.000028","6.006775","","6.53172","0.00004","90","","90","","120","","204.099","0.0016","220","","220","","","","","","","","Sigma Aldrich 115150","3","P 63/m","-P 6c","176","thiophosgene","carbonothioyl dichloride","","- C Cl2 S -","- C Cl2.00001 S0.99999 -","- C2 Cl4.00002 S1.99998 -","2","0.166667","DQ5061","Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic","A comprehensive characterization of thiophosgene in the solid state","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2024","80","5","495","503","10.1107/S2052520624007583","powder diffraction","neutron","","white-beam","","","","","","","","0.2878","","1.02","","","","","","","has coordinates","296749","2024-12-07","17:01:20",""
"2312648","6.011293","0.000031","6.011293","","6.55562","0.00005","90","","90","","120","","205.154","0.0019","230","","230","","","","","","","","Sigma Aldrich 115150","3","P 63/m","-P 6c","176","thiophosgene","carbonothioyl dichloride","","- C Cl2 S -","- C Cl2.00001 S0.99999 -","- C2 Cl4.00002 S1.99998 -","2","0.166667","DQ5061","Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic","A comprehensive characterization of thiophosgene in the solid state","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2024","80","5","495","503","10.1107/S2052520624007583","powder diffraction","neutron","","white-beam","","","","","","","","0.35552","","1.02","","","","","","","has coordinates","296749","2024-12-07","17:01:20",""
"2312649","5.6392","0.0003","13.4963","0.0007","31.968","0.002","90","","92.79","0.006","90","","2430.1","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4,6-Triaminopyrimidinium 3-(indol-3-yl)propionate–3-(indol-3-yl)propionic acid (1/1)","","- C26 H29 N7 O4 -","- C26 H29 N7 O4 -","- C104 H116 N28 O16 -","4","1","OV3176","Mohana, Marimuthu; Gomathi, Sundaramoorthy; Thomas Muthiah, Packianathan; Butcher, Ray J.","Structural insights into supramolecular interactions in isostructural salts of 2,4,6-triaminopyrimidinium with various heterocyclic carboxylates.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 11","734","741","10.1107/S2053229624008787","","","0.71073","MoKα","","0.0696","0.0473","","","0.0986","0.1146","","","","","","1.051","","","","has coordinates,has Fobs","296761","2024-12-07","17:06:09",""
"2312650","11.5487","0.0014","11.5859","0.001","11.9737","0.0015","69.595","0.009","73.659","0.011","74.862","0.009","1417","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,4,6-Triaminopyrimidinium 2-(indol-3-yl)acetate","","- C14 H16 N6 O2 -","- C14 H16 N6 O2 -","- C56 H64 N24 O8 -","4","2","OV3176","Mohana, Marimuthu; Gomathi, Sundaramoorthy; Thomas Muthiah, Packianathan; Butcher, Ray J.","Structural insights into supramolecular interactions in isostructural salts of 2,4,6-triaminopyrimidinium with various heterocyclic carboxylates.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 11","734","741","10.1107/S2053229624008787","","","0.71073","MoKα","","0.1097","0.062","","","0.1187","0.1448","","","","","","1.03","","","","has coordinates,has Fobs","296761","2024-12-07","17:06:18",""
"2312651","8.4348","0.0005","10.5501","0.0007","14.0931","0.0009","77.558","0.005","86.82","0.005","78.896","0.005","1201.61","0.14","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","2,4,6-Triaminopyrimidinium 5-bromothiophene-2-carboxylate","","- C9 H10 Br N5 O2 S -","- C9 H10 Br N5 O2 S -","- C36 H40 Br4 N20 O8 S4 -","4","2","OV3176","Mohana, Marimuthu; Gomathi, Sundaramoorthy; Thomas Muthiah, Packianathan; Butcher, Ray J.","Structural insights into supramolecular interactions in isostructural salts of 2,4,6-triaminopyrimidinium with various heterocyclic carboxylates.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 11","734","741","10.1107/S2053229624008787","","","1.54184","CuKα","","0.0326","0.0309","","","0.0812","0.0828","","","","","","1.04","","","","has coordinates,has Fobs","296761","2024-12-07","17:06:19",""
"2312652","8.3306","0.0005","10.4403","0.0005","14.0361","0.0005","78.406","0.004","87.357","0.004","78.608","0.004","1172.28","0.1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","2,4,6-Triaminopyrimidinium 5-chlorothiophene-2-carboxylate","","- C9 H10 Cl N5 O2 S -","- C9 H10 Cl N5 O2 S -","- C36 H40 Cl4 N20 O8 S4 -","4","2","OV3176","Mohana, Marimuthu; Gomathi, Sundaramoorthy; Thomas Muthiah, Packianathan; Butcher, Ray J.","Structural insights into supramolecular interactions in isostructural salts of 2,4,6-triaminopyrimidinium with various heterocyclic carboxylates.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 11","734","741","10.1107/S2053229624008787","","","1.54184","CuKα","","0.042","0.0384","","","0.1035","0.1075","","","","","","1.047","","","","has coordinates,has Fobs","296761","2024-12-07","17:06:19",""
"2312653","7.8964","0.0002","12.9064","0.0003","11.0124","0.0003","90","","109.467","0.001","90","","1058.16","0.05","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1,2-Bis[(4-methylbenzene)sulfinyl]ferrocene","","- C24 H22 Fe O2 S2 -","- C24 H22 Fe O2 S2 -","- C48 H44 Fe2 O4 S4 -","2","1","UX3008","Blockhaus, Tobias; Sünkel, Karlheinz","Molecular and crystal structures of six poly(arylsulfinyl)- and poly(arylsulfanyl)ferrocenes.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 11","716","727","10.1107/S2053229624009318","","","0.71073","MoKα","","0.0383","0.0337","","","0.0819","0.0844","","","","","","1.142","","","","has coordinates","296763","2024-12-07","17:07:03",""
"2312654","17.1882","0.001","6.0383","0.0004","20.4271","0.0012","90","","95.995","0.002","90","","2108.5","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1,3-Bis[(4-methylbenzene)sulfinyl]ferrocene","","- C24 H22 Fe O2 S2 -","- C24 H22 Fe O2 S2 -","- C96 H88 Fe4 O8 S8 -","4","2","UX3008","Blockhaus, Tobias; Sünkel, Karlheinz","Molecular and crystal structures of six poly(arylsulfinyl)- and poly(arylsulfanyl)ferrocenes.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 11","716","727","10.1107/S2053229624009318","","","0.71073","MoKα","","0.0579","0.0418","","","0.0884","0.0948","","","","","","1.02","","","","has coordinates,has disorder","296763","2024-12-07","17:07:03",""
"2312655","7.8298","0.0005","9.8573","0.0006","17.4937","0.0011","93.379","0.002","91.12","0.002","98.051","0.002","1334.02","0.14","110","2","110","2","","","","","","","","5","P 1","P 1","1","","1,2,3-Tris[(4-methylbenzene)sulfinyl]ferrocene","","- C31 H28 Fe O3 S3 -","- C31 H28 Fe O3 S3 -","- C62 H56 Fe2 O6 S6 -","2","2","UX3008","Blockhaus, Tobias; Sünkel, Karlheinz","Molecular and crystal structures of six poly(arylsulfinyl)- and poly(arylsulfanyl)ferrocenes.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 11","716","727","10.1107/S2053229624009318","","","0.71073","MoKα","","0.0404","0.0339","","","0.0705","0.0731","","","","","","1.021","","","","has coordinates","296763","2024-12-07","17:07:03",""
"2312656","12.8893","0.0007","8.2225","0.0004","36.5","0.002","90","","97.106","0.002","90","","3838.6","0.4","107","2","107","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1,2,3,4-Tetrakis[(4-methylbenzene)sulfinyl]ferrocene ethyl acetate 0.75-solvate","","- C41 H40 Fe O5.5 S4 -","- C41 H40 Fe O5.5 S4 -","- C164 H160 Fe4 O22 S16 -","4","2","UX3008","Blockhaus, Tobias; Sünkel, Karlheinz","Molecular and crystal structures of six poly(arylsulfinyl)- and poly(arylsulfanyl)ferrocenes.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 11","716","727","10.1107/S2053229624009318","","","0.71073","MoKα","","0.0771","0.0645","","","0.1363","0.1413","","","","","","1.118","","","","has coordinates,has disorder","296763","2024-12-07","17:07:03",""
"2312657","14.0977","0.0011","7.1607","0.0005","8.8504","0.0005","90","","90","","90","","893.44","0.11","110","2","110","2","","","","","","","","4","P m n 21","P 2ac -2","31","","1,2-Bis(phenylsulfanyl)ferrocene","","- C22 H18 Fe S2 -","- C22 H18 Fe S2 -","- C44 H36 Fe2 S4 -","2","0.5","UX3008","Blockhaus, Tobias; Sünkel, Karlheinz","Molecular and crystal structures of six poly(arylsulfinyl)- and poly(arylsulfanyl)ferrocenes.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 11","716","727","10.1107/S2053229624009318","","","0.71073","MoKα","","0.0276","0.025","","","0.058","0.0598","","","","","","1.053","","","","has coordinates","296763","2024-12-07","17:07:03",""
"2312658","8.4836","0.0004","10.3028","0.0005","16.721","0.0008","90.73","0.002","103.948","0.002","94.999","0.002","1412.15","0.12","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","1,2,3,4-Tetrakis(phenylsulfanyl)ferrocene","","- C34 H26 Fe S4 -","- C34 H26 Fe S4 -","- C68 H52 Fe2 S8 -","2","1","UX3008","Blockhaus, Tobias; Sünkel, Karlheinz","Molecular and crystal structures of six poly(arylsulfinyl)- and poly(arylsulfanyl)ferrocenes.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 11","716","727","10.1107/S2053229624009318","","","0.71073","MoKα","","0.0446","0.0338","","","0.0811","0.0878","","","","","","1.036","","","","has coordinates","296763","2024-12-07","17:07:03",""
"2312659","8.3263","0.0007","9.011","0.0008","9.8712","0.0009","63.454","0.0016","84.9942","0.0018","80.5169","0.0018","653.41","0.1","100","2","99.99","","","","","","","","","6","P -1","-P 1","2","","Di-μ-acetato-κ^4^<i>O</i>:<i>O</i>'-bis[({2-[(pyridin-2-ylmethylidene)amino]phenyl}sulfanido-κ^3^<i>N</i>,<i>N</i>',<i>S</i>)zinc(II)]","","- C28 H24 N4 O4 S2 Zn2 -","- C28 H24 N4 O4 S2 Zn2 -","- C28 H24 N4 O4 S2 Zn2 -","1","0.5","DG3062","Anaya-Avila, Odalys; Muñoz-Granados, Oscar; Andrade-López, Noemí; Alvarado-Rodríguez, José G; Martínez-Otero, Diego","Dinuclear zinc(II) acetate complexes derived from N,N',S-tridentate Schiff bases: synthesis, structural study and Hirshfeld surface analysis.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 11","698","706","10.1107/S205322962400946X","","","0.71073","MoKα","","0.031","0.0269","","","0.0628","0.0648","","","","","","1.069","","","","has coordinates,has Fobs","296765","2024-12-07","17:07:27",""
"2312660","11.745","0.0006","31.0516","0.0016","8.5857","0.0004","90","","108.777","0.001","90","","2964.6","0.3","100","2","99.98","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","μ-Acetato-1:2κ^2^<i>O</i>:<i>O</i>'-acatato-2κ<i>O</i>-[μ-(2-{[1-(pyridin-2-yl)ethylidene]amino}phenyl)sulfanido-1κ<i>S</i>:2κ^3^<i>N</i>,<i>N</i>',<i>S</i>][μ-(2-{[1-(pyridin-2-yl)ethylidene]amino}phenyl)sulfanido-1κ^3^<i>N</i>,<i>N</i>',<i>S</i>)dizinc(II)","","- C30 H28 N4 O4 S2 Zn2 -","- C30 H28 N4 O4 S2 Zn2 -","- C120 H112 N16 O16 S8 Zn8 -","4","1","DG3062","Anaya-Avila, Odalys; Muñoz-Granados, Oscar; Andrade-López, Noemí; Alvarado-Rodríguez, José G; Martínez-Otero, Diego","Dinuclear zinc(II) acetate complexes derived from N,N',S-tridentate Schiff bases: synthesis, structural study and Hirshfeld surface analysis.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 11","698","706","10.1107/S205322962400946X","","","0.71073","MoKα","","0.0326","0.0289","","","0.0713","0.0731","","","","","","1.069","","","","has coordinates,has Fobs","296765","2024-12-07","17:07:27",""
"2312661","10.7102","0.0004","13.1376","0.0005","17.1385","0.0006","100.87","0.003","101.489","0.003","110.186","0.004","2129.46","0.16","295","","295","","","","","","","","","6","P -1","-P 1","2","","μ-Acetato-1:2κ^2^<i>O</i>:<i>O</i>'-acatato-2κ<i>O</i>-[μ-(2-{[phenyl(pyridin-2-yl)methylidene]amino}phenyl)sulfanido-1κ<i>S</i>:2κ^3^<i>N</i>,<i>N</i>',<i>S</i>][μ-(2-{[phenyl(pyridin-2-yl)methylidene]amino}phenyl)sulfanido-1κ^3^<i>N</i>,<i>N</i>',<i>S</i>)dizinc(II)–bis(2-aminophenyl) disulfide (2/1)","","- C46 H38 N5 O4 S3 Zn2 -","- C46 H38 N5 O4 S3 Zn2 -","- C92 H76 N10 O8 S6 Zn4 -","2","1","DG3062","Anaya-Avila, Odalys; Muñoz-Granados, Oscar; Andrade-López, Noemí; Alvarado-Rodríguez, José G; Martínez-Otero, Diego","Dinuclear zinc(II) acetate complexes derived from N,N',S-tridentate Schiff bases: synthesis, structural study and Hirshfeld surface analysis.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 11","698","706","10.1107/S205322962400946X","","x-ray","0.71073","MoKα","","0.1272","0.0555","","","0.1039","0.1288","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","296765","2024-12-07","17:07:27",""
"2312662","8.2507","0.0004","8.587","0.0004","10.6398","0.0005","105.438","0.002","109.18","0.002","94.887","0.002","673.83","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","2,4,6-Triaminopyrimidin-1-ium sorbate dihydrate","2,4,6-Triaminopyrimidin-1-ium 2,4-hexadienoate dihydrate","","- C10 H19 N5 O4 -","- C10 H19 N5 O4 -","- C20 H38 N10 O8 -","2","1","OV3175","Mohana, Marimuthu; Gomathi, Sundaramoorthy; Thomas Muthiah, Packianathan; Butcher, Ray J.","Hydrogen-bonding interactions in the salts 2,4,6-triaminopyrimidin-1-ium sorbate dihydrate, 2,4,6-triaminopyrimidin-1-ium N-phenylantharanilate and 2,4,6-triaminopyrimidin-1-ium p-toluenesulfonate.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 11","728","733","10.1107/S2053229624008763","","","0.71073","MoKα","","0.0585","0.0485","","","0.1226","0.1322","","","","","","1.088","","","","has coordinates,has Fobs","296766","2024-12-07","17:07:39",""
"2312663","13.1498","0.0008","12.1582","0.0006","20.6224","0.001","90","","106.538","0.005","90","","3160.7","0.3","120","2","120","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","2,4,6-Triaminopyrimidin-1-ium <i>N</i>-phenylanthranilate","2,4,6-Triaminopyrimidin-1-ium 2-(phenylamino)benzoate","","- C17 H18 N6 O2 -","- C17 H18 N6 O2 -","- C136 H144 N48 O16 -","8","1","OV3175","Mohana, Marimuthu; Gomathi, Sundaramoorthy; Thomas Muthiah, Packianathan; Butcher, Ray J.","Hydrogen-bonding interactions in the salts 2,4,6-triaminopyrimidin-1-ium sorbate dihydrate, 2,4,6-triaminopyrimidin-1-ium N-phenylantharanilate and 2,4,6-triaminopyrimidin-1-ium p-toluenesulfonate.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 11","728","733","10.1107/S2053229624008763","","","0.71073","MoKα","","0.0708","0.0464","","","0.0993","0.1322","","","","","","1.135","","","","has coordinates,has Fobs","296766","2024-12-07","17:07:39",""
"2312664","6.8382","0.0003","8.3657","0.0004","12.5848","0.0006","92.727","0.001","104.992","0.002","99.194","0.001","683.5","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","2,4,6-Triaminopyrimidin-1-ium <i>p</i>-toluenesulfonate","2,4,6-Triaminopyrimidin-1-ium 4-methylbenzene-1-sulfonate","","- C11 H15 N5 O3 S -","- C11 H15 N5 O3 S -","- C22 H30 N10 O6 S2 -","2","1","OV3175","Mohana, Marimuthu; Gomathi, Sundaramoorthy; Thomas Muthiah, Packianathan; Butcher, Ray J.","Hydrogen-bonding interactions in the salts 2,4,6-triaminopyrimidin-1-ium sorbate dihydrate, 2,4,6-triaminopyrimidin-1-ium N-phenylantharanilate and 2,4,6-triaminopyrimidin-1-ium p-toluenesulfonate.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 11","728","733","10.1107/S2053229624008763","","","0.71073","MoKα","","0.0508","0.0403","","","0.0924","0.1009","","","","","","1.103","","","","has coordinates,has Fobs","296766","2024-12-07","17:07:39",""
"2312665","34.434","0.006","3.41097","0.0001","28.253","0.009","90","","126.49","0.04","90","","2667.9","1.7","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","","- C10 H2 K2 N10 O4 -","- C10 H2 K2 N10 O4 -","- C80 H16 K16 N80 O32 -","8","1","DK5131","Gaydamaka, A. A.; Rashchenko, S. V.","Crystal structure of the incommensurate modulated high-pressure phase of the potassium guaninate monohydrate.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","6","676","681","10.1107/S2052520624008710","","x-ray","0.71073","MoKα","","0.2868","0.2119","","","0.3762","0.3914","","","","7.9005","7.9005","6.1716","","","","has coordinates,has Fobs","296753","2024-12-07","17:02:19",""
"2312666","4.8448","0.0002","25.9645","0.0012","26.5071","0.0011","90","","90","","90","","3334.4","0.2","293","2","293","2","","","","","","","","3","P b c 21","P 2c -2b","29","","(<i>E</i>)-2-({[Bis(pyridin-2-yl)methylidene]hydrazin-1-ylidene}methyl)-1<i>H</i>-indole","","- C20 H15 N5 -","- C20 H15 N5 -","- C160 H120 N40 -","8","2","OJ3023","Zhang, Qing; Wang, Zi Quan; Xing, Dian Xiang; Wang, Shou Juan; Tan, Xue Jie","Synthesis, crystal structures and antiproliferative activities of a new indole-containing dipyridylmethanone hydrazone Schiff base and its cadmium(II) complex.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 11","748","760","10.1107/S2053229624010167","","","0.71073","MoKα","","0.0929","0.0558","","","0.1261","0.1479","","","","","","0.988","","","","has coordinates,has Fobs","296762","2024-12-07","17:06:42",""
"2312667","34.6379","0.0007","34.6379","0.0007","18.4784","0.0003","90","","90","","120","","19199.9","0.6","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Poly[[2-({[bis(pyridin-2-yl)methylidene]hydrazin-1-ylidene}methyl)-1<i>H</i>-indole]di-μ-chlorido-cadmium(II)]","","- C20 H15 Cd Cl2 N5 -","- C20 H15 Cd Cl2 N5 -","- C720 H540 Cd36 Cl72 N180 -","36","1","OJ3023","Zhang, Qing; Wang, Zi Quan; Xing, Dian Xiang; Wang, Shou Juan; Tan, Xue Jie","Synthesis, crystal structures and antiproliferative activities of a new indole-containing dipyridylmethanone hydrazone Schiff base and its cadmium(II) complex.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 11","748","760","10.1107/S2053229624010167","","","1.54184","CuKα","","0.0269","0.0219","","","0.0527","0.0569","","","","","","1.09","","","","has coordinates,has Fobs","296762","2024-12-07","17:06:43",""
"2312668","13.6042","0.0013","12.5699","0.0011","32.334","0.003","90","","90.041","0.004","90","","5529.2","0.9","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(<i>tert</i>-Butoxido)chloridopentakis(tetrahydrofuran)lanthanide(III) tetraphenylborate tetrahydrofuran disolvate","","- C56 H85 B Ce Cl O8 -","- C56 H85 B Ce Cl O8 -","- C224 H340 B4 Ce4 Cl4 O32 -","4","1","UX3010","Thomas, Jarrod R.; Sarma, Kavisha A.; Giansiracusa, Marcus J.; Sulway, Scott A.","Structural comparison of [Ce(O<sup>t</sup>Bu)Cl(THF)<sub>5</sub>](BPh<sub>4</sub>) to smaller rare earth analogues.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 11","761","765","10.1107/S2053229624009872","","","0.71073","MoKα","","0.0671","0.0506","","","0.1162","0.1296","","","","","","1.144","","","","has coordinates,has Fobs","296767","2024-12-07","17:08:03",""
"2312669","13.7578","0.0007","12.5548","0.0007","32.8512","0.0018","90","","90.336","0.002","90","","5674.2","0.5","180","","180","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(<i>tert</i>-Butoxido)chloridopentakis(tetrahydrofuran)lanthanide(III) tetraphenylborate tetrahydrofuran disolvate","","- C56 H85 B Ce Cl O8 -","- C56 H85 B Ce Cl O8 -","- C224 H340 B4 Ce4 Cl4 O32 -","4","1","UX3010","Thomas, Jarrod R.; Sarma, Kavisha A.; Giansiracusa, Marcus J.; Sulway, Scott A.","Structural comparison of [Ce(O<sup>t</sup>Bu)Cl(THF)<sub>5</sub>](BPh<sub>4</sub>) to smaller rare earth analogues.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 11","761","765","10.1107/S2053229624009872","","","0.71073","MoKα","","0.0368","0.0325","","","0.0858","0.0904","","","","","","1.15","","","","has coordinates,has disorder,has Fobs","296767","2024-12-07","17:08:03",""
"2312689","16.31259","0.00016","9.79402","0.0001","14.76098","0.00014","90","","116.969","0.0004","90","","2101.83","0.04","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","Tetra-μ~3~-chlorido-dodecachloridotetraselenium","","- Cl16 Se4 -","- Cl16 Se4 -","- Cl64 Se16 -","4","0.5","ZO3058","Guzmán-Hernández, Juan de Dios; Jancik, Vojtech","Bonding properties and crystal packing in β-(SeCl<sub>4</sub>)<sub>4</sub> derived from Hirshfeld Atom Refinement.","Acta crystallographica. Section C, Structural chemistry","2024","80","12","","","10.1107/S2053229624010428","","","0.71073","MoKα","","0.0127","0.0124","","","0.0271","0.0272","","","","","","1.276","","","","has coordinates,has Fobs","295929","2024-11-15","02:45:02",""
"2312690","15.8661","0.0003","15.864","0.0003","19.5003","0.0005","90","","90","","90","","4908.22","0.18","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[hexa-μ-acetato-(acetic acid)-μ~3~-oxido-<i>triangulo</i>-triiron(III)]-μ-acatato]","","- C16 H25 Fe3 O17 -","- C16 H25 Fe3 O17 -","- C128 H200 Fe24 O136 -","8","1","JX3089","Abrahams, Brendan F.; Robson, Richard; Commons, Christopher J.","A polymeric form of basic iron(III) acetate with an acetic acid ligand.","Acta crystallographica. Section C, Structural chemistry","2024","80","12","","","10.1107/S2053229624010672","","x-ray","1.54184","CuKα","","0.077","0.0556","","","0.1422","0.1564","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","296041","2024-11-21","03:04:26",""
"2312691","9.711","0.0005","9.7629","0.0004","13.5461","0.0006","90","","90","","90","","1284.27","0.1","112","2","112","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","2-[Dihydroxy(oxo)sulfanyliumyl]ethanaminium bis[hexafluoridoarsenate(V)]","","- C2 H9 As2 F12 N O3 S -","- C2 H9 As2 F12 N O3 S -","- C8 H36 As8 F48 N4 O12 S4 -","4","1","WV3016","Bockmair, Valentin; Klöck, Andreas; Hollenwäger, Dirk; Kornath, Andreas J.","Diprotonation of taurine: 2-[dihydroxy(oxo)sulfanyliumyl]ethanaminium bis[hexafluoroarsenate(V)].","Acta crystallographica. Section C, Structural chemistry","2024","80","12","","","10.1107/S2053229624010489","","","0.71073","MoKα","","0.0445","0.0344","","","0.0591","0.0617","","","","","","1.011","","","","has coordinates","296042","2024-11-21","03:04:47",""
"2312692","6.1616","0.0008","10.8379","0.001","6.8805","0.0008","90","","106.472","0.013","90","","440.61","0.09","106","2","106","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(1,2-Dichloro-2-oxoethylidene)oxidanium hexafluoridoantimonate(V)","","- C2 H Cl2 F6 O2 Sb -","- C2 H Cl2 F6 O2 Sb -","- C4 H2 Cl4 F12 O4 Sb2 -","2","1","YD3050","Steiner, Sebastian; Djordjevic, Kristina; Bockmair, Valentin; Hollenwäger, Dirk; Kornath, Andreas J.","Protonated oxalyl chloride and the ClCO<sup>+</sup> cation.","Acta crystallographica. Section C, Structural chemistry","2024","80","12","","","10.1107/S2053229624010714","","","0.71073","MoKα","","0.0364","0.0302","","","0.0537","0.057","","","","","","1.042","","","","has coordinates,has disorder","296043","2024-11-21","03:05:16",""
"2312693","8.0824","0.0003","8.0824","0.0003","18.3341","0.0008","90","","90","","120","","1037.22","0.07","102","2","102","2","","","","","","","","5","P 31","P 31","144","","Carbonyl chloride hexadecafluoridotriarsenate(V)","","- C Cl F16 O Sb3 -","- C Cl F16 O Sb3 -","- C3 Cl3 F48 O3 Sb9 -","3","1","YD3050","Steiner, Sebastian; Djordjevic, Kristina; Bockmair, Valentin; Hollenwäger, Dirk; Kornath, Andreas J.","Protonated oxalyl chloride and the ClCO<sup>+</sup> cation.","Acta crystallographica. Section C, Structural chemistry","2024","80","12","","","10.1107/S2053229624010714","","","0.71073","MoKα","","0.0462","0.0384","","","0.0717","0.0767","","","","","","1.032","","","","has coordinates","296043","2024-11-21","03:05:20",""
"2312694","14.043","0.0007","6.013","0.0003","20.3113","0.0009","90","","104.295","0.005","90","","1661.99","0.14","150","0.2","150","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)-2-methylbenzamide","","- C19 H19 N3 O2 -","- C19 H19 N3 O2 -","- C76 H76 N12 O8 -","4","1","OV3177","Al Mamari, Hamad H.; Al Sulaimi, Shamsaa; Mardiana, Lina; Waddell, Paul G.; Hall, Michael J.","High-throughput crystallization and crystal structure of N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-methylbenzamide: a benzamide bearing the 4-aminoantipyrine moiety.","Acta crystallographica. Section C, Structural chemistry","2024","80","12","","","10.1107/S2053229624010982","","x-ray","1.54184","CuKα","","0.061","0.052","","","0.1437","0.1555","","","","","","1.049","","","","has coordinates,has Fobs","296044","2024-11-21","03:05:44",""
"2312695","12.6024","0.0011","17.6259","0.0015","46.236","0.004","90","","90","","90","","10270.3","1.5","150","2","150","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","Poly[[bis(dimethylammonium) tri-μ-oxalato-sodium(I)iron(III)]–dimethylamine–water (3/1/1)]","","- C30 H49 Fe3 N6 Na3 O37 -","- C30 H49 Fe3 N6 Na3 O37 -","- C240 H392 Fe24 N48 Na24 O296 -","8","1","EQ3016","Kherfi, Hamza; Benhacine, Mohamed Al Amine; Hamadene, Malika","A novel layered structure of the heterometallic oxalate compound [NH<sub>2</sub>(CH<sub>3</sub>)<sub>2</sub>]<sub>2</sub>[NaFe(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·0.33NH(CH<sub>3</sub>)<sub>2</sub>·0.33H<sub>2</sub>O: synthesis, crystal structure and thermal decomposition.","Acta crystallographica. Section C, Structural chemistry","2024","80","12","","","10.1107/S2053229624011185","","","0.71073","MoKα","","0.0861","0.0495","","","0.0882","0.0988","","","","","","0.962","","","","has coordinates,has disorder,has Fobs","296107","2024-11-26","02:49:10",""
"2312696","11.2134","0.0006","13.8055","0.0007","14.5447","0.0008","105.621","0.005","112.318","0.005","91.39","0.004","1985.7","0.2","293","","293","","","","","","","","","6","P -1","-P 1","2","","Poly[[aquadichlorido[μ~4~-4'-(pyridin-4-yl)-[2,2':6',2''-terpyridine]-4,4''-dicarboxylato][μ~3~-3'-(pyridin-4-yl)-[2,2':6',2''-terpyridine]-4,4''-dicarboxylato]tricopper(II)] monohydrate]","","- C44 H28 Cl2 Cu3 N8 O10 -","- C44 H28 Cl2 Cu3 N8 O10 -","- C88 H56 Cl4 Cu6 N16 O20 -","2","1","DG3063","Zhao, Xiaoya; Su, Boya; Zhao, Qian; Lv, Wan; Chen, Litong; Huang, Lixin; Li, Xia; Liao, Shengyun","Construction of pyridine-functionalized metal-organic frameworks for the detection of flazasulfuron.","Acta crystallographica. Section C, Structural chemistry","2024","80","12","","","10.1107/S2053229624011082","","x-ray","0.71073","MoKα","","0.0782","0.0392","","","0.0823","0.0937","","","","","","0.959","","","","has coordinates,has Fobs","296146","2024-11-28","02:39:28",""
"2312697","10.3591","0.001","11.0086","0.0009","13.9603","0.0014","89.525","0.007","78.044","0.008","66.947","0.008","1428.4","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","Poly[[diaquabis[μ~2~-4'-(pyridin-3-yl)-[2,2':6',2''-terpyridine]-4,4''-dicarboxylato]bis(μ~2~-terephthalato)tricopper(II)] dihydrate]","","- C60 H40 Cu3 N8 O20 -","- C60 H40 Cu3 N8 O20 -","- C60 H40 Cu3 N8 O20 -","1","0.5","DG3063","Zhao, Xiaoya; Su, Boya; Zhao, Qian; Lv, Wan; Chen, Litong; Huang, Lixin; Li, Xia; Liao, Shengyun","Construction of pyridine-functionalized metal-organic frameworks for the detection of flazasulfuron.","Acta crystallographica. Section C, Structural chemistry","2024","80","12","","","10.1107/S2053229624011082","","x-ray","0.71073","MoKα","","0.0951","0.0576","","","0.1703","0.217","","","","","","0.751","","","","has coordinates,has Fobs","296146","2024-11-28","02:39:32",""
"2312698","6.6308","0.0002","12.4415","0.0003","12.6936","0.0003","90","","100.074","0.002","90","","1031.04","0.05","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H16 N2 O4 S2 -","- C5 H16 N2 O4 S2 -","- C20 H64 N8 O16 S8 -","4","1","","Charkin, Dmitri O.; Banaru, Alexandru M.; Ivanov, Semen A.; Kireev, Vadim E.; Aksenov, Sergey M.","A contribution to the crystal chemistry and topology of organic thiosulfates: bis(1-methylpiperazinium)·S<sub>2</sub>O<sub>3</sub>·H<sub>2</sub>O versus 1-methylpiperazinediium·S<sub>2</sub>O<sub>3</sub>·3H<sub>2</sub>O.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","6","706","714","10.1107/S2052520624007443","","x-ray","0.71073","MoKα","","0.0395","0.0242","","","0.0237","0.0254","","","","1.24","1.24","1.13","","","","has coordinates,has Fobs","296752","2024-12-07","17:01:58",""
"2312699","15.3506","0.0003","7.363","0.0002","16.3573","0.0003","90","","90.237","0.0017","90","","1848.79","0.07","105","8","105","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H32 N4 O6 S2 -","- C10 H32 N4 O6 S2 -","- C40 H128 N16 O24 S8 -","4","1","","Charkin, Dmitri O.; Banaru, Alexandru M.; Ivanov, Semen A.; Kireev, Vadim E.; Aksenov, Sergey M.","A contribution to the crystal chemistry and topology of organic thiosulfates: bis(1-methylpiperazinium)·S<sub>2</sub>O<sub>3</sub>·H<sub>2</sub>O versus 1-methylpiperazinediium·S<sub>2</sub>O<sub>3</sub>·3H<sub>2</sub>O.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","6","706","714","10.1107/S2052520624007443","","x-ray","0.71073","MoKα","","0.035","0.0233","","","0.0235","0.0247","","","","1.36","1.36","1.26","","","","has coordinates,has Fobs","296752","2024-12-07","17:01:58",""
"2312700","6.5047","0.0002","7.171","0.0002","13.9389","0.0004","81.8901","0.0009","81.0672","0.0009","86.6887","0.0009","635.45","0.03","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 F N3 O5 -","- C13 H12 F N3 O5 -","- C26 H24 F2 N6 O10 -","2","1","YH5039","Kanagavel, Manimurugan; Balasubramanian, Sridhar; Nechipadappu, Sunil Kumar","Variable stoichiometry and a salt-cocrystal intermediate in multicomponent systems of flucytosine: structural elucidation and their impact on stability.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","6","793","806","10.1107/S2052520624010278","","","0.71073","MoKα","","0.0529","0.0423","","","0.1151","0.1233","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","296755","2024-12-07","17:02:44",""
"2312701","9.632","0.006","8.42","0.006","16.959","0.012","90","","96.781","0.015","90","","1365.8","1.6","294","2","294","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C11 H8 Cl F N4 O5 -","- C11 H8 Cl F N4 O5 -","- C44 H32 Cl4 F4 N16 O20 -","4","1","YH5039","Kanagavel, Manimurugan; Balasubramanian, Sridhar; Nechipadappu, Sunil Kumar","Variable stoichiometry and a salt-cocrystal intermediate in multicomponent systems of flucytosine: structural elucidation and their impact on stability.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","6","793","806","10.1107/S2052520624010278","","","0.71073","MoKα","","0.11","0.0771","","","0.2145","0.2313","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","296755","2024-12-07","17:02:44",""
"2312702","7.2912","0.0001","9.3029","0.0002","10.7855","0.0002","110.756","0.0006","99.6967","0.0007","95.2484","0.0008","665.19","0.02","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H11 F2 N6 O3 -","- C11 H11 F2 N6 O3 -","- C22 H22 F4 N12 O6 -","2","1","YH5039","Kanagavel, Manimurugan; Balasubramanian, Sridhar; Nechipadappu, Sunil Kumar","Variable stoichiometry and a salt-cocrystal intermediate in multicomponent systems of flucytosine: structural elucidation and their impact on stability.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","6","793","806","10.1107/S2052520624010278","","","0.71073","MoKα","","0.0849","0.0561","","","0.1528","0.1787","","","","","","1.034","","","","has coordinates,has Fobs","296755","2024-12-07","17:02:44",""
"2312703","7.2415","0.0002","10.1036","0.0003","10.6423","0.0003","111.517","0.001","99.093","0.002","110.41","0.005","641.36","0.05","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 F4 N12 O6 -","- C22 H22 F4 N12 O6 -","- C22 H22 F4 N12 O6 -","1","0.5","YH5039","Kanagavel, Manimurugan; Balasubramanian, Sridhar; Nechipadappu, Sunil Kumar","Variable stoichiometry and a salt-cocrystal intermediate in multicomponent systems of flucytosine: structural elucidation and their impact on stability.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","6","793","806","10.1107/S2052520624010278","","","0.71073","MoKα","","0.0748","0.0469","","","0.1266","0.1472","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","296755","2024-12-07","17:02:44",""
"2312704","7.252","0.004","36.579","0.014","10.195","0.006","90","","107.559","0.016","90","","2578","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 F3 N9 O7 -","- C24 H24 F3 N9 O7 -","- C96 H96 F12 N36 O28 -","4","1","YH5039","Kanagavel, Manimurugan; Balasubramanian, Sridhar; Nechipadappu, Sunil Kumar","Variable stoichiometry and a salt-cocrystal intermediate in multicomponent systems of flucytosine: structural elucidation and their impact on stability.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","6","793","806","10.1107/S2052520624010278","","","0.71073","MoKα","","0.0981","0.0656","","","0.1655","0.1808","","","","","","1.073","","","","has coordinates,has Fobs","296755","2024-12-07","17:02:44",""
"2312705","9.7136","0.0012","23.759","0.003","19.9289","0.0017","90","","103.035","0.011","90","","4480.8","0.9","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32.6 Cu4 Mo4 N8 O16.3 -","- C40 H32.6 Cu4 Mo4 N8 O16.3 -","- C160 H130.4 Cu16 Mo16 N32 O65.2 -","4","1","YV5021","Moya, Marielsys; Liendo-Polanco, Gustavo R; Atencio, Reinaldo; Silva, Pedro; Henao, Jose A.; Bruno-Colmenares, Julia","Coordination geometry flexibility driving supramolecular isomerism of Cu/Mo pillared-layer hybrid networks.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","6","782","792","10.1107/S2052520624009934","","","0.71075","MoKα","","0.0868","0.0616","","","0.1568","0.168","","","","","","0.926","","","","has coordinates,has disorder,has Fobs","296756","2024-12-07","17:03:32",""
"2312706","5.612","0.0001","5.7724","0.0001","12.4665","0.0003","95.99","0.002","93.999","0.002","110.227","0.002","374.444","0.014","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H9 Cu2 Mo2 N2 O8.5 -","- C10 H8 Cu2 Mo2 N2 O8 -","- C10 H8 Cu2 Mo2 N2 O8 -","1","0.5","","Moya, Marielsys; Liendo-Polanco, Gustavo R; Atencio, Reinaldo; Silva, Pedro; Henao, Jose A.; Bruno-Colmenares, Julia","Coordination geometry flexibility driving supramolecular isomerism of Cu/Mo pillared-layer hybrid networks.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","6","782","792","10.1107/S2052520624009934","","x-ray","1.54184","CuKα","","0.0278","0.0275","","","0.0719","0.0721","","","","","","1.093","","","","has coordinates,has Fobs","296756","2024-12-07","17:03:32",""
"2312707","11.694","0.0003","9.0285","0.0002","21.3258","0.0004","90","","90","","90","","2251.56","0.09","100","0.5","100","0.5","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C40 H32.8 Cu4 Mo4 N8 O15.4 -","- C40 H32 Cu4 Mo4 N8 O15 -","- C80 H64 Cu8 Mo8 N16 O30 -","2","0.25","","Moya, Marielsys; Liendo-Polanco, Gustavo R; Atencio, Reinaldo; Silva, Pedro; Henao, Jose A.; Bruno-Colmenares, Julia","Coordination geometry flexibility driving supramolecular isomerism of Cu/Mo pillared-layer hybrid networks.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","6","782","792","10.1107/S2052520624009934","","x-ray","0.71073","MoKα","","0.0351","0.0284","","","0.0712","0.0763","","","","","","1.084","","","","has coordinates,has disorder,has Fobs","296756","2024-12-07","17:03:32",""
"2312708","10.86409","0.00018","11.244","0.0002","21.9304","0.0003","90","","94.1363","0.0014","90","","2671.95","0.07","100","0.14","100","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Cu4 Mo8 N8 O26 -","- C40 H32 Cu4 Mo8 N8 O26 -","- C80 H64 Cu8 Mo16 N16 O52 -","2","0.5","","Moya, Marielsys; Liendo-Polanco, Gustavo R; Atencio, Reinaldo; Silva, Pedro; Henao, Jose A.; Bruno-Colmenares, Julia","Coordination geometry flexibility driving supramolecular isomerism of Cu/Mo pillared-layer hybrid networks.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","6","782","792","10.1107/S2052520624009934","","x-ray","0.71073","MoKα","","0.0284","0.023","","","0.0461","0.0494","","","","","","1.071","","","","has coordinates","296756","2024-12-07","17:03:32",""
"2312709","5.76","0.0001","7.9063","0.0001","17.6186","0.0003","90","","97.412","0.002","90","","795.65","0.02","99.8","0.6","99.8","0.6","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H23 I N2 -","- C17 H23 I N2 -","- C34 H46 I2 N4 -","2","1","AW5097","Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V.","Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","6","751","759","10.1107/S2052520624009818","","x-ray","1.54184","CuKα","","0.0293","0.0285","","","0.0702","0.0707","","","","","","1.04","","","","has coordinates,has Fobs","296757","2024-12-07","17:04:53",""
"2312710","24.6407","0.0005","8.3854","0.0001","11.0576","0.0002","90","","92.245","0.002","90","","2282.99","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H32 I2 N2 O3 -","- C18 H32 I2 N2 O3 -","- C72 H128 I8 N8 O12 -","4","0.5","AW5097","Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V.","Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","6","751","759","10.1107/S2052520624009818","","x-ray","1.54184","CuKα","","0.0355","0.0345","","","0.0937","0.0946","","","","","","1.097","","","","has coordinates,has disorder,has Fobs","296757","2024-12-07","17:05:05",""
"2312711","9.7562","0.0004","13.3158","0.0003","18.6498","0.0005","72.055","0.002","86.424","0.003","73.147","0.003","2205","0.13","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H50 I6 N2 O4 S4 -","- C26 H50 I6 N2 O4 S4 -","- C52 H100 I12 N4 O8 S8 -","2","1","AW5097","Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V.","Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","6","751","759","10.1107/S2052520624009818","","x-ray","0.71073","MoKα","","0.0484","0.0328","","","0.0743","0.0852","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","296757","2024-12-07","17:05:07",""
"2312712","25.1134","0.0003","8.387","0.0001","11.857","0.0002","90","","90","","90","","2497.39","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C22 H42 N2 O10 -","- C22 H42 N2 O10 -","- C88 H168 N8 O40 -","4","0.5","AW5097","Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V.","Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","6","751","759","10.1107/S2052520624009818","","x-ray","1.54184","CuKα","","0.0524","0.0495","","","0.1375","0.1407","","","","","","1.094","","","","has coordinates,has Fobs","296757","2024-12-07","17:05:07",""
"2312713","24.8529","0.0003","8.3869","0.0001","11.939","0.0001","90","","90","","90","","2488.55","0.05","100","0.1","100","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C22 H40 N2 O10 -","- C22 H40 N2 O10 -","- C88 H160 N8 O40 -","4","0.5","AW5097","Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V.","Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","6","751","759","10.1107/S2052520624009818","","x-ray","1.54184","CuKα","","0.0609","0.0587","","","0.1628","0.1647","","","","","","1.064","","","","has coordinates,has Fobs","296757","2024-12-07","17:05:07",""
"2312714","9.0744","0.0001","17.4077","0.0002","25.1209","0.0007","92.859","0.002","94.838","0.002","101.799","0.001","3861.35","0.13","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C108 H224 N12 O70 V12 -","- C108 H224 N12 O70 V12 -","- C108 H224 N12 O70 V12 -","1","0.5","AW5097","Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V.","Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","6","751","759","10.1107/S2052520624009818","","x-ray","1.54184","CuKα","","0.1279","0.1236","","","0.3152","0.3227","","","","","","1.48","","","","has coordinates,has disorder,has Fobs","296757","2024-12-07","17:05:07",""
"2312715","12.9176","0.0002","8.8157","0.0002","15.5173","0.0002","90","","99.836","0.002","90","","1741.1","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 N2 O14 -","- C34 H48 N2 O14 -","- C68 H96 N4 O28 -","2","0.5","AW5097","Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V.","Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","6","751","759","10.1107/S2052520624009818","","x-ray","1.54184","CuKα","","0.0324","0.0304","","","0.081","0.083","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","296757","2024-12-07","17:05:07",""
"2312716","10.0218","0.0004","11.3143","0.0004","13.6143","0.0004","92.431","0.003","90.386","0.003","113.564","0.004","1413.25","0.1","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C60 H80 N4 O18 -","- C60 H80 N4 O18 -","- C60 H80 N4 O18 -","1","0.5","AW5097","Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V.","Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","6","751","759","10.1107/S2052520624009818","","x-ray","1.54184","CuKα","","0.0835","0.0686","","","0.1999","0.21","","","","","","1.127","","","","has coordinates,has Fobs","296757","2024-12-07","17:05:07",""
"2312717","17.1314","0.0001","17.1314","0.0001","35.164","0.0002","90","","90","","90","","10320.1","0.1","100","0.1","100","0.1","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C54 H54 N2 Na2 O18 -","- C54 H54 N2 Na2 O18 -","- C432 H432 N16 Na16 O144 -","8","1","AW5097","Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V.","Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","6","751","759","10.1107/S2052520624009818","","x-ray","1.54184","CuKα","","0.078","0.0759","","","0.1896","0.191","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","296757","2024-12-07","17:05:07",""
"2312718","3.7244","0.0017","13.05","0.006","14.982","0.007","71.986","0.004","83.86","0.005","85.624","0.005","687.8","0.5","20","2","20","2","","","","","","","","3","P -1","-P 1","2","quercetin dihydrate","quercetin dihydrate","","- C15 H13.968 O8.984 -","- C15 H13.96 O8.98 -","- C30 H27.92 O17.96 -","2","1","","Bibila Mayaya Bisseyou, Yvon; Wright, Jonathan; Jelsch, Christian","Conformational disorder in quercetin dihydrate revealed from ultrahigh-resolution synchrotron diffraction.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","6","766","781","10.1107/S2052520624010011","","","0.15815","synchrotron","","0.0339","0.0198","","","0.0386","0.0414","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","296758","2024-12-07","17:05:15",""
"2312719","13.5137","0.0004","10.2904","0.0004","9.3838","0.0003","90","","90","","90","","1304.92","0.08","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cu0 H O13 P3 Pb5 -","- H O13 P3 Pb5 -","- H4 O52 P12 Pb20 -","4","0.5","RM5078","Xu, Mingyu; Wang, Haozhe; Vojvodin, Cameron; Yarava, Jayasubba Reddy; Wang, Tuo; Xie, Weiwei","Polymorphism of Pb<sub>5</sub>(PO<sub>4</sub>)<sub>3</sub>OH<sub>δ</sub> within the LK-99 mixture.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","6","746","750","10.1107/S2052520624010023","","","0.71073","MoKα","","0.0811","0.0402","","","0.0681","0.0758","","","","","","1.047","","","","has coordinates","296760","2024-12-07","17:05:52",""
"2312726","5.93384","0.00004","11.38318","0.00007","8.23818","0.00005","90","","90","","90","","556.456","0.006","299","","299","","","","","","","","","3","C m c e","-C 2ac 2","64","","","Ni3V2O8","- Ni3 O8 V2 -","- Ni3 O8 V2 -","- Ni12 O32 V8 -","4","0.25","DK5132","Aziz, Fiza; Paszkowicz, Wojciech; Minikayev, Roman; Martin, Christine; Kozlowski, Miroslaw; Teisseyre, Henryk","Crystal structure of nickel orthovanadate (Ni<sub>3</sub>V<sub>2</sub>O<sub>8</sub>) at 299 (3) K and 1323 (8) K: an X-ray diffraction study.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","6","715","723","10.1107/S2052520624006966","powder diffraction","","1.54052","CuKα~1","","","","","","","","","8.4117","3.4","","","","","","","has coordinates,has Fobs","296743","2024-12-07","16:21:04",""
"2312727","5.9324","0.00006","11.38492","0.00012","8.23893","0.00009","90","","90","","90","","556.457","0.01","299","","299","","","","","","","","","3","C m c e","-C 2ac 2","64","","","Ni3V2O8","- Ni3 O8 V2 -","- Ni3 O8 V2 -","- Ni12 O32 V8 -","4","0.25","","Aziz, Fiza; Paszkowicz, Wojciech; Minikayev, Roman; Martin, Christine; Kozlowski, Miroslaw; Teisseyre, Henryk","Crystal structure of nickel orthovanadate (Ni<sub>3</sub>V<sub>2</sub>O<sub>8</sub>) at 299 (3) K and 1323 (8) K: an X-ray diffraction study.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","6","715","723","10.1107/S2052520624006966","powder diffraction","","1.5406","CuKα~1~~2~","","","","","","","","","9.5439","1.7","","","","","","","has coordinates,has Fobs","296743","2024-12-07","16:21:04",""
"2312728","6.02077","0.00007","11.48838","0.00013","8.32611","0.00009","90","","90","","90","","575.908","0.011","1323","","1323","","","","","","","","","3","C m c e","-C 2ac 2","64","","","Ni3V2O8","- Ni3 O8 V2 -","- Ni3 O8 V2 -","- Ni12 O32 V8 -","4","0.25","","Aziz, Fiza; Paszkowicz, Wojciech; Minikayev, Roman; Martin, Christine; Kozlowski, Miroslaw; Teisseyre, Henryk","Crystal structure of nickel orthovanadate (Ni<sub>3</sub>V<sub>2</sub>O<sub>8</sub>) at 299 (3) K and 1323 (8) K: an X-ray diffraction study.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","6","715","723","10.1107/S2052520624006966","powder diffraction","","1.5406","CuKα~1~~2~","","","","","","","","","11.4969","1.65","","","","","","","has coordinates,has Fobs","296743","2024-12-07","16:21:04",""
"2312729","12.8126","0.0004","13.0399","0.0005","5.6276","0.0001","90","","98.022","0.002","90","","931.03","0.05","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(5-Nitrothiazol-2-yl)furan-2-carboxamide","","- C8 H5 N3 O4 S -","- C8 H5 N3 O4 S -","- C32 H20 N12 O16 S4 -","4","1","ZO3059","Monge-Hoyos, Kevin; Moreno-Fuquen, Rodolfo; Arango-Daraviña, Kevin; Ellena, Javier; Santiago, Pedro H. O.","Synthesis, XRD structural analysis and theoretical studies of a potential inhibitor against rheumatoid arthritis (RA).","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 11","707","715","10.1107/S2053229624010106","","","0.71073","MoKα","","0.0629","0.047","","","0.1183","0.1351","","","","","","1.101","","","","has coordinates,has Fobs","296744","2024-12-07","16:31:05",""
"3000450","23.456","","3.811","","24.879","","90","","90","","90","","2223.95","","79","","79","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H10 N2 O3 -","- C13 H10 N2 O3 -","- C104 H80 N16 O24 -","8","2","","Sasaki, Toshiyuki; Nakane, Takanori; Kawamoto, Akihiro; Zhao, Yakai; Fujimoto, Yushi; Nishizawa, Tomohiro; Kalita, Nabadeep; Tsuzuki, Seiji; Ito, Fuyuki; Ramamurty, Upadrasta; Thakuria, Ranjit; Kurisu, Genji","Mechanically-sensitive fluorochromism by molecular domino transformation in a Schiff base crystal","Journal of Materials Chemistry C","2024","12","","8508","8513","10.1039/D4TC00406J","","","0.02508","electrons","","0.1925","0.1215","","","0.2878","0.3097","","","","","","0.902","","","","has coordinates","292618","2024-06-27","06:00:06",""
"3000451","12.45","","5.735","","15.344","","90","","97.73","","90","","1085.62","","79","","79","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O3 -","- C13 H10 N2 O3 -","- C52 H40 N8 O12 -","4","1","","Sasaki, Toshiyuki; Nakane, Takanori; Kawamoto, Akihiro; Zhao, Yakai; Fujimoto, Yushi; Nishizawa, Tomohiro; Kalita, Nabadeep; Tsuzuki, Seiji; Ito, Fuyuki; Ramamurty, Upadrasta; Thakuria, Ranjit; Kurisu, Genji","Mechanically-sensitive fluorochromism by molecular domino transformation in a Schiff base crystal","Journal of Materials Chemistry C","2024","12","","8508","8513","10.1039/D4TC00406J","","","0.02508","electrons","","0.1972","","","","0.4428","","","","","","","1.253","","","","has coordinates","292619","2024-06-27","06:05:14",""
"3000464","3.711","","13.55","","22.244","","95.74","","92.86","","91.59","","1110.92","","79","","79","","","","","","","","","4","P -1","-P 1","2","","Methyl 5-hydroxy-thieno[2',3':4,5]thieno[3,2-b]benzofuran-4-carboxylate","","- C14 H8 O4 S2 -","- C14 H8 O4 S2 -","- C56 H32 O16 S8 -","4","2","","Aijima , Takaaki; Ueda, Rina; Nakane, Takanori; Makino, Fumiaki; Ohnishi, Yusuke; Nakajima, Keiichiro; Kamino, Shinichiro; Kurisu, Genji; Namba, Keiichi; Nakata, Hiroki; Mogi, Kaiki; Sajiki, Hironao; Akai, Shuji; Sawama, Yoshinari","Versatile Biaryls and Fused Aromatics through Oxidative Coupling of Hydroquinones with (Hetero)Arenes","ChemistrySelect","2024","","","","","","","electron","0.01969","electron","","0.2335","","","","0.4658","","","","","","","1.639","","","","has coordinates,has Fobs","291253","2024-04-17","03:46:08",""
"3000467","6.702","0.0003","9.832","0.0005","13.1889","0.0007","95.501","0.002","93.318","0.002","107.373","0.002","822.17","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 N4 O9 Pd -","- C12 H14 N4 O9 Pd -","- C24 H28 N8 O18 Pd2 -","2","1","","Pérez-Romero, Antonio; Cano-Muñoz, Mario; López-Chamorro, Carmen; Conejero-Lara, Francisco; Palacios, Oscar; Dobado, José A; Galindo, Miguel A","Selective Formation of Pd-DNA Hybrids Using Tailored Palladium-Mediated Base Pairs: Towards Heteroleptic Pd-DNA Systems.","Angewandte Chemie International Edition","2024","63","11","e202400261","","10.1002/anie.202400261","","","1.54178","CuKα","","0.0425","0.0395","","","0.0984","0.1025","","","","","","1.148","","","","has coordinates,has disorder,has Fobs","290575","2024-03-21","15:39:34",""
"3000469","7.5659","0.0015","17.275","0.004","15.599","0.003","90","","96.167","0.005","90","","2027","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N2 O4 -","- C24 H20 N2 O4 -","- C96 H80 N8 O16 -","4","1","","Deka, Poonam; Jaiswal, Shilpi; Sarma, Parishmita; Bora, Debajit; Nakane, Takanori; Kawamoto, Akihiro; Kurisu, Genji; Mahanta, Sanjeev Pran; Patra, Abhijit; Ichiyanagi, Kouhei; Sasaki, Toshiyuki; Thakuria, Ranjit","Analysis of Solid-State Emission of the p-Bis(2,2-dicyanovinyl)benzene Analogue through Combined X-ray, Synchrotron, and Microcrystal Electron Diffraction","Crystal Growth & Design","2024","24","","7222","7234","10.1021/acs.cgd.4c00856","","","0.71073","MoKα","","0.1129","0.065","","","0.1566","0.1889","","","","","","1.026","","","","has coordinates","294766","2024-09-17","01:07:21",""
"3000470","3.795","","14.526","","17.715","","97.17","","96.81","","99.79","","945.003","","79","","79","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H10 N4 O2 -","- C20 H10 N4 O2 -","- C40 H20 N8 O4 -","2","1","","Deka, Poonam; Jaiswal, Shilpi; Sarma, Parishmita; Bora, Debajit; Nakane, Takanori; Kawamoto, Akihiro; Kurisu, Genji; Mahanta, Sanjeev Pran; Patra, Abhijit; Ichiyanagi, Kouhei; Sasaki, Toshiyuki; Thakuria, Ranjit","Analysis of Solid-State Emission of the p-Bis(2,2-dicyanovinyl)benzene Analogue through Combined X-ray, Synchrotron, and Microcrystal Electron Diffraction","Crystal Growth & Design","2024","24","","7222","7234","10.1021/acs.cgd.4c00856","","","0.02508","electrons","","0.2225","","","","0.4048","","","","","","","1.281","","","","has coordinates,has disorder","294767","2024-09-17","01:09:15",""
"3000471","15.213","","37.104","","3.805","","90","","90","","90","","2147.78","","79","","79","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C14 H10 O2 -","- C14 H10 O2 -","- C112 H80 O16 -","8","0.5","","Deka, Poonam; Jaiswal, Shilpi; Sarma, Parishmita; Bora, Debajit; Nakane, Takanori; Kawamoto, Akihiro; Kurisu, Genji; Mahanta, Sanjeev Pran; Patra, Abhijit; Ichiyanagi, Kouhei; Sasaki, Toshiyuki; Thakuria, Ranjit","Analysis of Solid-State Emission of the p-Bis(2,2-dicyanovinyl)benzene Analogue through Combined X-ray, Synchrotron, and Microcrystal Electron Diffraction","Crystal Growth & Design","2024","24","","7222","7234","10.1021/acs.cgd.4c00856","","","0.02508","electrons","","0.1519","0.1339","","","0.3188","0.328","","","","","","1.261","","","","has coordinates","294768","2024-09-17","01:11:18",""
"3000472","3.912","","13.011","","15.416","","79.38","","88.39","","81.41","","762.568","","79","","79","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C38 H30 N2 O6 -","2","1","","Deka, Poonam; Jaiswal, Shilpi; Sarma, Parishmita; Bora, Debajit; Nakane, Takanori; Kawamoto, Akihiro; Kurisu, Genji; Mahanta, Sanjeev Pran; Patra, Abhijit; Ichiyanagi, Kouhei; Sasaki, Toshiyuki; Thakuria, Ranjit","Analysis of Solid-State Emission of the p-Bis(2,2-dicyanovinyl)benzene Analogue through Combined X-ray, Synchrotron, and Microcrystal Electron Diffraction","Crystal Growth & Design","2024","24","","7222","7234","10.1021/acs.cgd.4c00856","","","0.02508","electrons","","0.201","0.1411","","","0.3735","","","","","","","1.19","","","","has coordinates","294769","2024-09-17","01:12:45",""
"3000473","7.156","0.0003","12.5164","0.0005","13.2162","0.0006","90","","99.465","0.002","90","","1167.62","0.09","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H6 N4 -","- C14 H6 N4 -","- C56 H24 N16 -","4","1","","Deka, Poonam; Jaiswal, Shilpi; Sarma, Parishmita; Bora, Debajit; Nakane, Takanori; Kawamoto, Akihiro; Kurisu, Genji; Mahanta, Sanjeev Pran; Patra, Abhijit; Ichiyanagi, Kouhei; Sasaki, Toshiyuki; Thakuria, Ranjit","Analysis of Solid-State Emission of the p-Bis(2,2-dicyanovinyl)benzene Analogue through Combined X-ray, Synchrotron, and Microcrystal Electron Diffraction","Crystal Growth & Design","2024","24","","7222","7234","10.1021/acs.cgd.4c00856","","","0.71073","MoKα","","0.0645","0.0586","","","0.1415","0.1484","","","","","","1.132","","","","has coordinates","294770","2024-09-17","01:14:27",""
"3000474","4.619","","9.567","","38.517","","90","","90.08","","90","","1702.06","","79","","79","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N2 O4 -","- C18 H16 N2 O4 -","- C72 H64 N8 O16 -","4","1","","Deka, Poonam; Jaiswal, Shilpi; Sarma, Parishmita; Bora, Debajit; Nakane, Takanori; Kawamoto, Akihiro; Kurisu, Genji; Mahanta, Sanjeev Pran; Patra, Abhijit; Ichiyanagi, Kouhei; Sasaki, Toshiyuki; Thakuria, Ranjit","Analysis of Solid-State Emission of the p-Bis(2,2-dicyanovinyl)benzene Analogue through Combined X-ray, Synchrotron, and Microcrystal Electron Diffraction","Crystal Growth & Design","2024","24","","7222","7234","10.1021/acs.cgd.4c00856","","","0.02508","electrons","","0.2196","","","","0.4732","","","","","","","1.679","","","","has coordinates","294771","2024-09-17","01:15:28",""
"3000475","4.6343","0.0008","7.5342","0.0012","12.9284","0.0019","74.649","0.007","84.853","0.009","78.442","0.007","426.15","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H8 N O2 -","- C9 H8 N O2 -","- C18 H16 N2 O4 -","2","1","","Deka, Poonam; Jaiswal, Shilpi; Sarma, Parishmita; Bora, Debajit; Nakane, Takanori; Kawamoto, Akihiro; Kurisu, Genji; Mahanta, Sanjeev Pran; Patra, Abhijit; Ichiyanagi, Kouhei; Sasaki, Toshiyuki; Thakuria, Ranjit","Analysis of Solid-State Emission of the p-Bis(2,2-dicyanovinyl)benzene Analogue through Combined X-ray, Synchrotron, and Microcrystal Electron Diffraction","Crystal Growth & Design","2024","24","","7222","7234","10.1021/acs.cgd.4c00856","","","0.71073","MoKα","","0.1205","0.0959","","","0.2574","0.2851","","","","","","1.031","","","","has coordinates","294772","2024-09-17","01:16:29",""
"3000476","3.7388","0.0002","11.9046","0.0005","40.4205","0.0019","90","","92.318","0.005","90","","1797.6","0.15","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H10 N4 O2 -","- C20 H10 N4 O2.005 -","- C80 H40 N16 O8.02 -","4","2","","Deka, Poonam; Jaiswal, Shilpi; Sarma, Parishmita; Bora, Debajit; Nakane, Takanori; Kawamoto, Akihiro; Kurisu, Genji; Mahanta, Sanjeev Pran; Patra, Abhijit; Ichiyanagi, Kouhei; Sasaki, Toshiyuki; Thakuria, Ranjit","Analysis of Solid-State Emission of the p-Bis(2,2-dicyanovinyl)benzene Analogue through Combined X-ray, Synchrotron, and Microcrystal Electron Diffraction","Crystal Growth & Design","2024","24","","7222","7234","10.1021/acs.cgd.4c00856","","x-ray","0.812","Synchrotron","","0.2474","","","","0.4468","","","","","","","1.667","","","","has coordinates,has disorder","294773","2024-09-17","01:17:45",""
"3000496","4.83","","2.82","","4.5","","90","","98","","90","","60.696","","","","","","","","","","","","","2","C 1 m 1","C -2y","8","cobalt dioxide","","","- Co O2 -","- Co0.666667 O1.33333 -","- Co2 O4 -","3","0.75","","Hettler, Simon; Singha-Roy, Kankona; Arenal, Raul; Panchakarla, Leela","Stable CoO~2 Nanoscrolls With Outstanding Electrical Properties","Advanced Materials Interfaces","2024","","","","","","","","","electron300kV","","","","","","","","","","","","","","","","","has coordinates","294795","2024-09-19","09:39:52",""
"3500138","25.5193","0.0014","25.5193","0.0014","25.5193","0.0014","90","","90","","90","","16619.1","1.6","100","2","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","MOF-tetrazine","","","- C48 N48 O52 Zn16 -","- C288 N576 O880 Zn160 -","- C576 N1152 O1760 Zn320 -","2","0.0104167","","amina","","Personal communication to COD","2024","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","290309","2024-03-05","17:39:01",""
"3500139","10.7719","0.0002","32.7564","0.0007","10.7808","0.0002","90","","91.063","0.002","90","","3803.34","0.13","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Citalopram Hydrobromide","3-(5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl)-N,N-dimethylpropan-1-aminium bromide","","- C20 H22 Br F N2 O -","- C20 H22 Br F N2 O -","- C160 H176 Br8 F8 N16 O8 -","8","2","","Maris, Thierry","Citalopram Hydrobromide","Personal communication to COD","2024","","","","","","","x-ray","1.34139","GaKα","","0.042","0.0383","","","0.1036","0.1065","","","","","","1.006","","","","has coordinates,has Fobs","296824","2024-12-10","16:53:47",""
"4039027","12.8992","0.0004","6.1645","0.0002","35.2338","0.0011","90","","100.471","0.002","90","","2755.03","0.15","100","","100","","","","","","","","","4","I 1 2 1","I 2y","5","","tert-Butyl (S)-2-((S)-hydroxy((1R,2R)-2-((S)-2-((S)-hydroxy- ((1R,2R)-2-(methoxycarbonyl)cyclopentyl)methyl)pyrrolidine-1- carbonyl)cyclopentyl)methyl)pyrrolidine-1-carboxylate","","- C28 H46 N2 O7 -","- C28 H46 N2 O7 -","- C112 H184 N8 O28 -","4","1","","Garsi, Jean-Baptiste; Aguiar, Pedro M.; Berger, Gilles; Maris, Thierry; Hanessian, Stephen","Pseudodiproline (Pro-Cyp) Oligomers Fold into Helical Polyproline Type secondary structures","Journal of Organic Chemistry","2024","89","","4283","4293","10.1021/acs.joc.3c02840","","x-ray","1.54178","CuKα","","0.036","0.0328","","","0.0808","0.0831","","","","","","1.031","","","","has coordinates,has Fobs","291189","2024-04-11","20:20:01",""
"4519480","16.594","0.0016","8.1331","0.0008","14.2527","0.0012","90","","111.488","0.004","90","","1789.9","0.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-{3-[3-(4-fluorophenyl)propoxy]propyl}piperidin-1-ium 1-{3-[3-(4-chlorophenyl)propoxy]propyl}piperidin-1-ium 0.87:0.43 chloride","","- C17 H27 Cl1.13 F0.87 N O -","- C17 H27 Cl1.13 F0.87 N O -","- C68 H108 Cl4.52 F3.48 N4 O4 -","4","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.1551","0.098","","","0.2817","0.3441","","","","","","1.102","","","","has coordinates,has disorder,has Fobs","291176","2024-04-11","20:12:49",""
"4519481","7.065","0.0008","8.3346","0.001","15.807","0.002","90","","97.369","0.006","90","","923.09","0.19","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","1-{3-[3-(4-fluorophenyl)propoxy]propyl}piperidin-1-ium 1-{3-[3-(4-chlorophenyl)propoxy]propyl}piperidin-1-ium 0.26:0.74 chloride hydrate","","- C17 H27.75 Cl1.73 F0.27 N O1.38 -","- C17 H27.74 Cl1.73 F0.27 N O1.37 -","- C34 H55.48 Cl3.46 F0.54 N2 O2.74 -","2","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.209","0.0944","","","0.2725","0.3641","","","","","","1.006","","","","has coordinates,has disorder,has Fobs","291177","2024-04-11","20:13:02",""
"4519482","7.0843","0.0004","8.3389","0.0005","15.7617","0.001","90","","97.211","0.003","90","","923.76","0.1","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","1-{3-[3-(4-fluorophenyl)propoxy]propyl}piperidin-1-ium 1-{3-[3-(4-chlorophenyl)propoxy]propyl}piperidin-1-ium 0.29:0.71 chloride hydrate","","- C17 H27.78 Cl1.71 F0.29 N O1.39 -","- C17 H27.78 Cl1.709 F0.291 N O1.39 -","- C34 H55.56 Cl3.418 F0.582 N2 O2.78 -","2","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.1151","0.081","","","0.229","0.2604","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","291178","2024-04-11","20:13:11",""
"4519483","7.1078","0.0005","8.3133","0.0007","15.8696","0.0013","90","","97.677","0.005","90","","929.32","0.13","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","1-{3-[3-(4-chlorophenyl)propoxy]propyl}piperidin-1-ium 1-{3-[3-(4-methylphenyl)propoxy]propyl}piperidin-1-ium 0.44:0.56 chloride hydrate","","- C17.56 H29.15 Cl1.44 N O1.23 -","- C17.562 H29.15 Cl1.438 N O1.232 -","- C35.124 H58.3 Cl2.876 N2 O2.464 -","2","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.1176","0.0779","","","0.2305","0.2698","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","291179","2024-04-11","20:13:20",""
"4519484","7.1262","0.0008","8.3024","0.0011","15.852","0.003","90","","97.639","0.009","90","","929.6","0.2","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","1-{3-[3-(4-chlorophenyl)propoxy]propyl}piperidin-1-ium 1-{3-[3-(4-methylphenyl)propoxy]propyl}piperidin-1-ium 0.46:0.54 chloride hydrate","","- C17.53 H28.93 Cl1.47 N O1.16 -","- C17.536 H28.948 Cl1.464 N O1.17 -","- C35.072 H57.896 Cl2.928 N2 O2.34 -","2","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.2188","0.117","","","0.3253","0.4067","","","","","","1.204","","","","has coordinates,has disorder,has Fobs","291180","2024-04-11","20:13:29",""
"4519485","7.1317","0.0006","8.316","0.0007","15.8471","0.0016","90","","97.653","0.005","90","","931.48","0.15","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","1-{3-[3-(4-chlorophenyl)propoxy]propyl}piperidin-1-ium 1-{3-[3-(4-methylphenyl)propoxy]propyl}piperidin-1-ium 0.42:0.58 chloride hydrate","","- C17.58 H28.99 Cl1.41 N O1.12 -","- C17.582 H28.972 Cl1.418 N O1.113 -","- C35.164 H57.944 Cl2.836 N2 O2.226 -","2","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.1397","0.0929","","","0.2795","0.3319","","","","","","1.175","","","","has coordinates,has disorder,has Fobs","291181","2024-04-11","20:13:38",""
"4519486","7.1036","0.0005","8.3072","0.0006","15.8675","0.0012","90","","97.601","0.004","90","","928.13","0.12","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","1-{3-[3-(4-chlorophenyl)propoxy]propyl}piperidin-1-ium 1-{3-[3-(4-methylphenyl)propoxy]propyl}piperidin-1-ium 0.54:0.46 chloride hydrate","","- C17.47 H29.05 Cl1.53 N O1.33 -","- C17.465 H29.051 Cl1.535 N O1.328 -","- C34.93 H58.102 Cl3.07 N2 O2.656 -","2","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.0754","0.0639","","","0.1736","0.1856","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","291182","2024-04-11","20:13:47",""
"4519487","16.544","0.003","8.0887","0.0014","14.229","0.002","90","","112.288","0.008","90","","1761.9","0.5","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-{3-[3-(4-fluorophenyl)propoxy]propyl}piperidin-1-ium chloride","","- C17 H27 Cl F N O -","- C17 H27 Cl F N O -","- C68 H108 Cl4 F4 N4 O4 -","4","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.1425","0.0838","","","0.227","0.2766","","","","","","1.07","","","","has coordinates,has Fobs","291183","2024-04-11","20:13:56",""
"4519488","7.2009","0.0003","8.3544","0.0004","15.8855","0.0008","90","","97.19","0.002","90","","948.14","0.08","250","","250","","","","","","","","","5","P 1 21 1","P 2yb","4","","1-{3-[3-(4-methylphenyl)propoxy]propyl}piperidin-1-ium chloride","","- C18 H30 Cl N O -","- C18 H30 Cl N O -","- C36 H60 Cl2 N2 O2 -","2","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.1089","0.0965","","","0.2611","0.2918","","","","","","1.305","","","","has coordinates,has disorder,has Fobs","291184","2024-04-11","20:14:07",""
"4519489","7.1158","0.0004","8.3038","0.0006","16.0142","0.0011","90","","98.369","0.004","90","","936.17","0.11","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","1-{3-[3-(4-bromophenyl)propoxy]propyl}piperidin-1-ium chloride hydrate","","- C17 H27.87 Br Cl N O1.43 -","- C17 H27.88 Br Cl N O1.44 -","- C34 H55.76 Br2 Cl2 N2 O2.88 -","2","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.0799","0.0573","","","0.153","0.1701","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","291185","2024-04-11","20:18:28",""
"4519490","7.0858","0.0005","8.3344","0.0006","15.8777","0.0011","90","","98.09","0.004","90","","928.34","0.11","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","Pitolisant Hydrochloride","1-{3-[3-(4-chlorophenyl)propoxy]propyl}piperidin-1-ium chloride hydrate","","- C17 H28.16 Cl2 N O1.58 -","- C17 H28.162 Cl2 N O1.581 -","- C34 H56.324 Cl4 N2 O3.162 -","2","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.0896","0.0558","","","0.1394","0.1612","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","291186","2024-04-11","20:18:38",""
"4519491","16.7522","0.0011","8.105","0.0005","14.1526","0.0009","90","","110.046","0.004","90","","1805.2","0.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-{3-[3-(4-fluorophenyl)propoxy]propyl}piperidin-1-ium 1-{3-[3-(4-chlorophenyl)propoxy]propyl}piperidin-1-ium 0.55:0.45 chloride","","- C17 H27 Cl1.45 F0.55 N O -","- C17 H27 Cl1.453 F0.547 N O -","- C68 H108 Cl5.812 F2.188 N4 O4 -","4","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.1094","0.068","","","0.1518","0.175","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","291187","2024-04-11","20:18:47",""
"4519492","16.6909","0.0009","8.0957","0.0004","14.1643","0.0007","90","","110.726","0.003","90","","1790.08","0.16","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-{3-[3-(4-fluorophenyl)propoxy]propyl}piperidin-1-ium 1-{3-[3-(4-chlorophenyl)propoxy]propyl}piperidin-1-ium 0.75:0.25 chloride","","- C17 H27 Cl1.24 F0.76 N O -","- C17 H27 Cl1.245 F0.755 N O -","- C68 H108 Cl4.98 F3.02 N4 O4 -","4","1","","Patel, Jessica; Leduc, Zachary; Numez Avila, Aaron Gabriel; Glover, Joseph A.; Wu, Kelin; Zhang, Yuxing; Zhang, Jing; Zhai, Xiaoting; Jing, Huize; Chen, Alex M.; Chartrand, Daniel; Maris, Thierry; Day, Graeme M.; Wuest, James D.","Exploring Polymorphism: Hydrochloride Salts of Pitolisant and Analogues","Crystal Growth & Design","2024","24","","1268","1283","10.1021/acs.cgd.3c01245","","x-ray","1.34139","GaKα","","0.1268","0.0728","","","0.173","0.2033","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","291188","2024-04-11","20:18:56",""
"7062881","28.4678","0.0008","28.4678","0.0008","6.3147","0.0002","90","","90","","90","","5117.5","0.3","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C20 H38 I2 N6 -","- C20 H38 I2 N6 -","- C160 H304 I16 N48 -","8","0.5","","Mesías-Salazar, Ángela; Rojas, René S.; Carrillo-Hermosilla, Fernando; Martínez, Javier; Antiñolo, Antonio; Trofymchuk, Oleksandra S.; Nachtigall, Fabiane M.; Santos, Leonardo S.; Daniliuc, Constantin G.","Guanidinium iodide salts as single component catalysts for CO2 to epoxide fixation","New Journal of Chemistry","2024","48","1","105","111","10.1039/D3NJ03959E","","","1.54178","CuKα","","0.0218","0.0197","","","0.0489","0.0518","","","","","","1.082","","","","has coordinates","289576","2024-02-04","12:19:09",""
"7062882","11.8424","0.0002","14.7304","0.0003","12.146","0.0002","90","","113.863","0.001","90","","1937.66","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H60 I2 N6 O2 -","- C36 H60 I2 N6 O2 -","- C72 H120 I4 N12 O4 -","2","0.5","","Mesías-Salazar, Ángela; Rojas, René S.; Carrillo-Hermosilla, Fernando; Martínez, Javier; Antiñolo, Antonio; Trofymchuk, Oleksandra S.; Nachtigall, Fabiane M.; Santos, Leonardo S.; Daniliuc, Constantin G.","Guanidinium iodide salts as single component catalysts for CO2 to epoxide fixation","New Journal of Chemistry","2024","48","1","105","111","10.1039/D3NJ03959E","","","1.54178","CuKα","","0.0235","0.0224","","","0.0542","0.0547","","","","","","1.073","","","","has coordinates","289576","2024-02-04","12:19:10",""
"7062886","16.78","0.003","18.45","0.004","23.54","0.005","99.17","0.03","101.29","0.03","96.07","0.03","6984","3","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C156 H199 Mn4 N7 O16 -","- C156 H199 Mn4 N7 O16 -","- C312 H398 Mn8 N14 O32 -","2","1","","Ovsyannikov, Alexander S.; Strelnikova, Iuliia V.; Samigullina, Aida I.; Islamov, Daut R.; Cherosov, Mikhail A.; Batulin, Ruslan G.; Kiiamov, Airat G.; Gubaidullin, Aidar T.; Dorovatovskii, Pavel V.; Solovieva, Svetlana E.; Antipin, Igor S.","Influence of neutral auxiliary ligands on crystal structure and magnetic behaviour of new [MnII2MnIII2] clusters supported by p-adamantylcalix[4]arene","New Journal of Chemistry","2024","48","1","203","215","10.1039/D3NJ04809H","","","0.7527","synchrotron","","0.1178","0.0636","","","0.1516","0.1831","","","","","","1.014","","","","has coordinates,has disorder","289577","2024-02-04","12:19:38",""
"7062887","16.357","0.003","25.859","0.005","18.043","0.004","90","","95.27","0.03","90","","7599","3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C168 H198 Mn4 N8 O14 -","- C168 H198 Mn4 N8 O14 -","- C336 H396 Mn8 N16 O28 -","2","0.5","","Ovsyannikov, Alexander S.; Strelnikova, Iuliia V.; Samigullina, Aida I.; Islamov, Daut R.; Cherosov, Mikhail A.; Batulin, Ruslan G.; Kiiamov, Airat G.; Gubaidullin, Aidar T.; Dorovatovskii, Pavel V.; Solovieva, Svetlana E.; Antipin, Igor S.","Influence of neutral auxiliary ligands on crystal structure and magnetic behaviour of new [MnII2MnIII2] clusters supported by p-adamantylcalix[4]arene","New Journal of Chemistry","2024","48","1","203","215","10.1039/D3NJ04809H","","","0.79313","synchrotron","","0.0927","0.0633","","","0.1628","0.182","","","","","","1.044","","","","has coordinates,has disorder","289577","2024-02-04","12:19:39",""
"7062888","14.071","0.003","23.504","0.005","21.891","0.004","90","","96.28","0.03","90","","7196","3","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C146 H190 Mn4 N4 O18 -","- C146 H190 Mn4 N4 O18 -","- C292 H380 Mn8 N8 O36 -","2","0.5","","Ovsyannikov, Alexander S.; Strelnikova, Iuliia V.; Samigullina, Aida I.; Islamov, Daut R.; Cherosov, Mikhail A.; Batulin, Ruslan G.; Kiiamov, Airat G.; Gubaidullin, Aidar T.; Dorovatovskii, Pavel V.; Solovieva, Svetlana E.; Antipin, Igor S.","Influence of neutral auxiliary ligands on crystal structure and magnetic behaviour of new [MnII2MnIII2] clusters supported by p-adamantylcalix[4]arene","New Journal of Chemistry","2024","48","1","203","215","10.1039/D3NJ04809H","","","0.79312","synchrotron","","0.1987","0.1091","","","0.2776","0.3385","","","","","","1.036","","","","has coordinates,has disorder","289577","2024-02-04","12:19:39",""
"7062889","13.162","0.003","27.089","0.005","23.389","0.005","90","","96.43","0.03","90","","8287","3","100.15","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C160 H168 Mn4 N4 O10 -","- C160 H168 Mn4 N4 O10 -","- C320 H336 Mn8 N8 O20 -","2","0.5","","Ovsyannikov, Alexander S.; Strelnikova, Iuliia V.; Samigullina, Aida I.; Islamov, Daut R.; Cherosov, Mikhail A.; Batulin, Ruslan G.; Kiiamov, Airat G.; Gubaidullin, Aidar T.; Dorovatovskii, Pavel V.; Solovieva, Svetlana E.; Antipin, Igor S.","Influence of neutral auxiliary ligands on crystal structure and magnetic behaviour of new [MnII2MnIII2] clusters supported by p-adamantylcalix[4]arene","New Journal of Chemistry","2024","48","1","203","215","10.1039/D3NJ04809H","","","0.7927","synchrotron","","0.196","0.1336","","","0.3694","0.4144","","","","","","1.284","","","","has coordinates,has disorder","289577","2024-02-04","12:19:39",""
"7062890","9.5977","0.0002","11.8495","0.0003","12.2334","0.0003","110.729","0.002","101.751","0.002","93.823","0.002","1259.23","0.06","99.97","0.1","100.15","","","","","","","","","8","P -1","-P 1","2","","","","- C25 H26 F6 Fe N3 O2 P Pd -","- C25 H26 F6 Fe N3 O2 P Pd -","- C50 H52 F12 Fe2 N6 O4 P2 Pd2 -","2","1","","Bora, Debashree; Ali, Abdul Aziz; Saha, Biswajit","A redox switchable ferrocene decorated n-heterocyclic carbene (NHC) palladium catalyst for cross coupling of arylboronic acid and acetic anhydride in phosphine, base and additive free conditions","New Journal of Chemistry","2024","48","2","615","620","10.1039/D3NJ04997C","","","1.54184","CuKα","","0.0295","0.028","","","0.07","0.0709","","","","","","1.074","","","","has coordinates,has disorder","289596","2024-02-04","12:23:20",""
"7062891","9.067","0.0012","14.456","0.002","17.232","0.002","90","","90","","90","","2258.6","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H30 Br6 N2 Pd -","- C12 H30 Br6 N2 Pd -","- C48 H120 Br24 N8 Pd4 -","4","0.5","","Saadi, Mohamed; Dakhlaoui, Imen; Hajlaoui, Fadhel; Drissi, Nidhal; Zighrioui, Mustapha; Jomni, Fethi; Audebrand, Nathalie; Cordier, Marie; Karim, Karoui","Bromination of organic spacer impacts on the structural arrangement, phase transitions, and optical and electrical properties of a hybrid halide compound:[(CH3)3N(CH2)3Br]2PdBr4","New Journal of Chemistry","2024","48","1","182","192","10.1039/D3NJ04819E","","","0.71073","MoKα","","0.0459","0.0293","","","0.0573","0.0628","","","","","","1.06","","","","has coordinates","289575","2024-02-04","12:19:02",""
"7062892","8.215","0.0003","17.8423","0.0006","8.6996","0.0003","90","","105.56","0.003","90","","1228.41","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H11 N11 O5 Zn2 -","- C4 H11 N11 O5 Zn2 -","- C16 H44 N44 O20 Zn8 -","4","1","","Wang, Qin; Yan, Yun-Fan; Weng, Jiao-Lin; Huang, Ying; Yang, Fu; Xie, Hao-Hui; Tan, Fei; Zheng, Fa-Kun; Xu, Jian-Gang","Nitrate anions embedded in rigid and cationic 3D energetic MOFs constructed by the chelating ligand towards insensitive energetic materials","New Journal of Chemistry","2024","48","2","811","818","10.1039/D3NJ04910H","","x-ray","0.71073","MoKα","","0.0487","0.0433","","","0.0904","0.0922","","","","","","1.096","","","","has coordinates,has disorder","289597","2024-02-04","12:23:26",""
"7062897","10.9206","0.0004","6.2585","0.0002","14.4384","0.0004","90","","99.98","0.003","90","","971.88","0.06","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H19 Br Cl N O2 -","- C23 H19 Br Cl N O2 -","- C46 H38 Br2 Cl2 N2 O4 -","2","1","","Ansari, Mohd Yeshab; Swarnkar, Sumedha; Kumar, Atul","One-pot construction of highly functionalized 4H-chromenes using K-10 montmorillonite in aqueous medium","New Journal of Chemistry","2024","48","5","1992","1997","10.1039/D3NJ04619B","","x-ray","0.71073","MoKα","","0.026","0.0251","","","0.0636","0.064","","","","","","1.065","","","","has coordinates","289583","2024-02-04","12:20:50",""
"7062904","17.2067","0.0015","10.6738","0.001","18.1356","0.0016","90","","91.509","0.002","90","","3329.6","0.5","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 Cu2 Mo6 N18 O44 Te -","- C42 H48 Cu2 Mo6 N18 O44 Te -","- C84 H96 Cu4 Mo12 N36 O88 Te2 -","2","0.5","","Liang, Ju-Ju; Zhang, Yu-Chen; Chang, Zhi-Han; Chen, Yong-Zhen; Chen, Ke-Ke; Lu, Jun-Jun; Wang, Xiu-Li","Two new 6-nitrobenzimidazole ligand-modified polymolybdate-based metal–organic complexes with excellent capacitive and electrocatalytic performances","New Journal of Chemistry","2024","48","3","1248","1253","10.1039/D3NJ04841A","","x-ray","0.71073","MoKα","K-L~3~","0.0613","0.0376","","","0.0787","0.0881","","","","","","1.012","","","","has coordinates","289598","2024-02-04","12:23:40",""
"7062905","9.392","0.0006","13.5995","0.0009","13.6869","0.0009","82.766","0.001","83.523","0.001","89.465","0.001","1723.17","0.19","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H38 Cu2 Mo8 N18 O45 -","- C42 H38 Cu2 Mo8 N18 O45 -","- C42 H38 Cu2 Mo8 N18 O45 -","1","0.5","","Liang, Ju-Ju; Zhang, Yu-Chen; Chang, Zhi-Han; Chen, Yong-Zhen; Chen, Ke-Ke; Lu, Jun-Jun; Wang, Xiu-Li","Two new 6-nitrobenzimidazole ligand-modified polymolybdate-based metal–organic complexes with excellent capacitive and electrocatalytic performances","New Journal of Chemistry","2024","48","3","1248","1253","10.1039/D3NJ04841A","","x-ray","0.71073","MoKα","K-L~3~","0.0396","0.0303","","","0.0688","0.073","","","","","","1.025","","","","has coordinates","289598","2024-02-04","12:23:40",""
"7062906","9.9094","0.0006","11.0437","0.0007","15.9662","0.0008","90","","90","","90","","1747.28","0.18","295","2","295","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C88 H80 N8 -","4","1","","R., Nandini; R., Thrilokraj; Kshirsagar, Umesh A.; Hegde, Rajeev V.; Ghosh, Arnab; Patil, Siddappa A.; Malecki, Jan Grzegorz; Dateer, Ramesh B.","Facile access to 1,2-disubstituted benzimidazoles and 2,3-dihydro-1H-perimidines using a biogenically synthesized single phase δ-MnO2 NP catalyst and its dye removal study","New Journal of Chemistry","2024","48","3","1327","1335","10.1039/D3NJ03803C","","x-ray","0.71073","MoKα","","0.0882","0.0451","","","0.0856","0.103","","","","","","1.016","","","","has coordinates","289599","2024-02-04","12:23:48",""
"7062907","8.2149","0.0004","33.6377","0.0013","9.9837","0.0004","90","","90.872","0.003","90","","2758.5","0.2","193","","193","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H21 B Br F2 N3 O -","- C30 H21 B Br F2 N3 O -","- C120 H84 B4 Br4 F8 N12 O4 -","4","1","","Yang, Shufang; Tian, Jiazhuang; Zhang, Bangcui; Yang, Yanhua; Li, Xiangguang; Gao, Shulin; Shao, Lin; Li, Fumin","A difluoroboron compound with latent fingerprint detection and inkless writing based on aggregation-induced emission enhancement and mechanofluorochromic behavior","New Journal of Chemistry","2024","48","3","1264","1271","10.1039/D3NJ04954J","","","1.54178","CuKα","","0.1121","0.0791","","","0.1822","0.2004","","","","","","1.09","","","","has coordinates,has disorder","289602","2024-02-04","12:25:30",""
"7062908","9.2737","0.0013","6.2094","0.0008","9.4529","0.0012","90","","114.864","0.016","90","","493.88","0.13","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","4-amino-3,8-dinitro-pyrazolo[5,1-c][1,2,4]triazine","","- C5 H7 N7 O6 -","- C5 H7 N7 O6 -","- C10 H14 N14 O12 -","2","0.5","","Shi, Haichuan; Wang, Yuqing; Wang, Xinyu; Zhang, Xiaotian; Huang, Ming; Yang, Haijun; Luo, Zhenghang","Concise synthesis of a fused energetic pyrazolotriazine with good performance","New Journal of Chemistry","2024","48","3","1212","1216","10.1039/D3NJ04391F","","","0.71073","MoKα","","0.1584","0.0837","","","0.1914","0.2129","","","","","","0.947","","","","has coordinates,has disorder","289603","2024-02-04","12:25:46",""
"7062909","8.5784","0.0008","26.55","0.002","4.5184","0.0005","90","","90","","90","","1029.1","0.17","298","2","298.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","4-amino-3,8-dinitro-pyrazolo[5,1-c][1,2,4]triazine","","- C6 H7 N7 O5 -","- C6 H7 N7 O5 -","- C24 H28 N28 O20 -","4","1","","Shi, Haichuan; Wang, Yuqing; Wang, Xinyu; Zhang, Xiaotian; Huang, Ming; Yang, Haijun; Luo, Zhenghang","Concise synthesis of a fused energetic pyrazolotriazine with good performance","New Journal of Chemistry","2024","48","3","1212","1216","10.1039/D3NJ04391F","","","1.34138","GaKα","","0.0492","0.0371","","","0.0852","0.0932","","","","","","1.111","","","","has coordinates","289603","2024-02-04","12:25:46",""
"7062910","8.64","0.01","9.59","0.01","16.87","0.01","90","","90","","90","","1398","2","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","cerium oxalate hydrate","","","- C6 H4 Ce2 O16 -","- C6 H4 Ce2 O16 -","- C24 H16 Ce8 O64 -","4","1","","Assi, Navid; Lahoud, Christophe; Brázda, Petr; Zákutná, Dominika; Rainer, Daniel N.; Hraníček, Jakub; Rohlíček, Jan; Tyrpekl, Václav","Hydrothermal conversion of cerium oxalate to CeO2: a parade of oxalate and water coordination modes","New Journal of Chemistry","2024","48","3","1071","1075","10.1039/D3NJ04635D","","electron","0.0251","electron","","0.1175","0.0888","","","0.091","0.0952","","","","0","0","2.109","","","","has coordinates","289601","2024-02-04","12:25:06",""
"7062911","22.06","0.08","12.96","0.01","10.61","0.01","90","","90","","90","","3033","12","150","","150","","","","","","","","","3","P b c n","-P 2n 2ab","60","cerium oxalate hydrate","","","- C6 Ce2 O17 -","- C6 Ce2 O17 -","- C48 Ce16 O136 -","8","1","","Assi, Navid; Lahoud, Christophe; Brázda, Petr; Zákutná, Dominika; Rainer, Daniel N.; Hraníček, Jakub; Rohlíček, Jan; Tyrpekl, Václav","Hydrothermal conversion of cerium oxalate to CeO2: a parade of oxalate and water coordination modes","New Journal of Chemistry","2024","48","3","1071","1075","10.1039/D3NJ04635D","","electron","0.0251","electron","","0.2121","0.1246","","","0.1182","0.129","","","","0","0","2.2291","","","","has coordinates","289601","2024-02-04","12:25:07",""
"7062912","21.67","0.01","10.51","0.01","12.97","0.01","90","","93.58","0.04","90","","2948","4","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cerium oxalate hydrate","","","- C6 H4 Ce2 O17 -","- C6 H4 Ce2 O17 -","- C48 H32 Ce16 O136 -","8","2","","Assi, Navid; Lahoud, Christophe; Brázda, Petr; Zákutná, Dominika; Rainer, Daniel N.; Hraníček, Jakub; Rohlíček, Jan; Tyrpekl, Václav","Hydrothermal conversion of cerium oxalate to CeO2: a parade of oxalate and water coordination modes","New Journal of Chemistry","2024","48","3","1071","1075","10.1039/D3NJ04635D","","electron","0.0251","electron","","0.144","0.1012","","","0.1002","0.1105","","","","2.0396","2.0396","1.4749","","","","has coordinates","289601","2024-02-04","12:25:07",""
"7062913","10.5","0.01","11.77","0.01","12.97","0.01","92.91","0.04","90.58","0.04","112.95","0.04","1473","2","150","","150","","","","","","","","","4","P -1","-P 1","2","cerium oxalate hydrate","","","- C6 H4 Ce2 O17 -","- C6 H4 Ce2 O17 -","- C24 H16 Ce8 O68 -","4","2","","Assi, Navid; Lahoud, Christophe; Brázda, Petr; Zákutná, Dominika; Rainer, Daniel N.; Hraníček, Jakub; Rohlíček, Jan; Tyrpekl, Václav","Hydrothermal conversion of cerium oxalate to CeO2: a parade of oxalate and water coordination modes","New Journal of Chemistry","2024","48","3","1071","1075","10.1039/D3NJ04635D","","electron","0.0251","electron","","0.1413","0.1305","","","0.1376","0.1391","","","","0","0","3.4696","","","","has coordinates","289601","2024-02-04","12:25:07",""
"7062914","8.078","0.006","6.215","0.005","8.92","0.007","90","","102.188","0.01","90","","437.7","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6-nitroamino-3-nitroimino-8-oxo-7,8-dihydro-[1,2,4]triazolo[3,4-f][1,2,4]triazine","","- C4 H3 N9 O5 -","- C4 H3 N9 O5 -","- C8 H6 N18 O10 -","2","1","","Li, Jingwen; Zhang, Xun; Wang, Yaxi; Su, Dongshuai; Pang, Siping; He, Chunlin","Towards improved comprehensive energetic properties by skeleton modification","New Journal of Chemistry","2024","48","3","1067","1070","10.1039/D3NJ05248F","","","0.71073","MoKα","","0.1037","0.0728","","","0.1836","0.223","","","","","","1.096","","","","has coordinates","289604","2024-02-04","12:25:55",""
"7062915","8.1297","0.001","8.7667","0.0011","16.667","0.002","89.131","0.004","87.895","0.004","75.168","0.004","1147.5","0.2","170","","170","","","","","","","","","4","P -1","-P 1","2","","Diammonium 6-nitroamino-3-nitroimino-8-oxo-7,8-dihydro-[1,2,4]triazolo[3,4-f][1,2,4]triazine","","- C4 H11 N11 O6 -","- C4 H11 N11 O6 -","- C16 H44 N44 O24 -","4","2","","Li, Jingwen; Zhang, Xun; Wang, Yaxi; Su, Dongshuai; Pang, Siping; He, Chunlin","Towards improved comprehensive energetic properties by skeleton modification","New Journal of Chemistry","2024","48","3","1067","1070","10.1039/D3NJ05248F","","","0.71073","MoKα","","0.1423","0.0673","","","0.1224","0.1424","","","","","","1.021","","","","has coordinates","289604","2024-02-04","12:25:55",""
"7062916","18.047","0.003","10.1048","0.0014","12.5842","0.0018","90","","101.298","0.005","90","","2250.4","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N O2 Sn -","- C27 H23 N O2 Sn -","- C108 H92 N4 O8 Sn4 -","4","1","","Paul, Anup; Khan, Rais Ahmad; Shaik, Gouse M.; Shaik, Jilani P.; Nesterov, Dmytro S.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Synthesis, characterization, and anticancer potential of pyrene-appended Schiff base tin(iv) complexes: experimental and computational insights","New Journal of Chemistry","2024","48","7","2907","2919","10.1039/D3NJ04401G","","","0.71073","MoKα","","0.1348","0.0974","","","0.2406","0.2719","","","","","","1.018","","","","has coordinates","290244","2024-03-04","20:37:41",""
"7062917","24.277","0.0008","15.336","0.0006","17.4979","0.0011","90","","119.683","0.001","90","","5659.8","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35 H30 N P2 -","- C35 H30 N P2 -","- C280 H240 N8 P16 -","8","1","","Sakhapov, I. F.; Zagidullin, A. A.; Gafurov, Z. N.; Khismatova, D. K.; Zaripov, R. B.; Kagilev, A. A.; Kantyukov, A. O.; Zueva, E. M.; Petrova, M. M.; Litvinov, I. A.; Miluykov, V. A.; Shmelev, A. G.; Sinyashin, O. G.; Yakhvarov, D. G.","Aryl group transfer and C–P bond formation in the reaction of organonickel complexes with sodium 3,4,5-triphenyl-1,2-diphospholide","New Journal of Chemistry","2024","48","4","1559","1566","10.1039/D3NJ04924H","","","0.71073","MoKα","","0.0489","0.0385","","","0.0986","0.1043","","","","","","0.994","","","","has coordinates","289594","2024-02-04","12:23:05",""
"7062918","4.2162","0.0005","14.4562","0.0015","21.1593","0.0016","90","","90","","90","","1289.7","0.2","124.3","0.3","124.3","0.3","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 O2 -","- C19 H14 O2 -","- C76 H56 O8 -","4","1","","An, Xinkun; Ma, Haoyun; Cui, Guoen; Zhang, Tingting; Xu, Leichuan; Wang, Mingan","Novel and rapid approach for benzanthrone synthesis: BBr3-promoted annulation of 8-aryl-1-naphthoic acid derivatives","New Journal of Chemistry","2024","48","4","1741","1756","10.1039/D3NJ03905F","","x-ray","0.71073","MoKα","","0.1026","0.0602","","","0.1067","0.1339","","","","","","1.013","","","","has coordinates","289589","2024-02-04","12:21:58",""
"7062919","8.5963","0.0006","18.5456","0.0012","14.2799","0.0009","90","","93.018","0.002","90","","2273.4","0.3","300","","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 N5 Ni S4 -","- C17 H22 N5 Ni S4 -","- C68 H88 N20 Ni4 S16 -","4","1","","Chen, Xuan-Rong; Chen, Xiao-Yu; Wei, Yi-Ting; Yu, Yan-She; Xu, Jing-Wen; Lai, Jia; Yao, Yu-Feng","Halogen substitution effects on crystal structures and magnetic properties in nickel dithiolate molecular crystals","New Journal of Chemistry","2024","48","4","1678","1687","10.1039/D3NJ02943C","","x-ray","0.71073","MoKα","","0.0809","0.046","","","0.0982","0.1151","","","","","","1.057","","","","has coordinates,has disorder","289591","2024-02-04","12:22:30",""
"7062920","7.426","0.007","11.935","0.013","14.696","0.015","73.51","0.06","86.69","0.04","82.94","0.05","1239","2","293.15","","293.15","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H21 Br0.4 I0.6 N5 Ni S4 -","- C17 H21 Br0.4 I0.6 N5 Ni S4 -","- C34 H42 Br0.8 I1.2 N10 Ni2 S8 -","2","1","","Chen, Xuan-Rong; Chen, Xiao-Yu; Wei, Yi-Ting; Yu, Yan-She; Xu, Jing-Wen; Lai, Jia; Yao, Yu-Feng","Halogen substitution effects on crystal structures and magnetic properties in nickel dithiolate molecular crystals","New Journal of Chemistry","2024","48","4","1678","1687","10.1039/D3NJ02943C","","x-ray","0.71073","MoKα","","0.0925","0.0589","","","0.1327","0.1467","","","","","","1.094","","","","has coordinates,has disorder","289591","2024-02-04","12:22:32",""
"7062921","14.746","0.011","7.798","0.004","21.923","0.009","90","","109.34","0.02","90","","2379","2","296.95","","296.95","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 Cl N5 Ni S4 -","- C17 H21 Cl N5 Ni S4 -","- C68 H84 Cl4 N20 Ni4 S16 -","4","1","","Chen, Xuan-Rong; Chen, Xiao-Yu; Wei, Yi-Ting; Yu, Yan-She; Xu, Jing-Wen; Lai, Jia; Yao, Yu-Feng","Halogen substitution effects on crystal structures and magnetic properties in nickel dithiolate molecular crystals","New Journal of Chemistry","2024","48","4","1678","1687","10.1039/D3NJ02943C","","","0.71073","MoKα","","0.0579","0.0382","","","0.0808","0.0918","","","","","","1.071","","","","has coordinates,has disorder","289591","2024-02-04","12:22:32",""
"7062922","14.747","0.002","7.7614","0.0011","21.932","0.004","90","","109.168","0.005","90","","2371.1","0.6","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Br N5 Ni S4 -","- C17 H21 Br N5 Ni S4 -","- C68 H84 Br4 N20 Ni4 S16 -","4","1","","Chen, Xuan-Rong; Chen, Xiao-Yu; Wei, Yi-Ting; Yu, Yan-She; Xu, Jing-Wen; Lai, Jia; Yao, Yu-Feng","Halogen substitution effects on crystal structures and magnetic properties in nickel dithiolate molecular crystals","New Journal of Chemistry","2024","48","4","1678","1687","10.1039/D3NJ02943C","","x-ray","0.71073","MoKα","","0.1133","0.0842","","","0.2257","0.2452","","","","","","1.045","","","","has coordinates,has disorder","289591","2024-02-04","12:22:32",""
"7062923","10.2989","0.0003","9.5354","0.0003","12.3745","0.0004","90","","91.395","0.002","90","","1214.87","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[(1-Hydroxyimino)methyl]tris(1H-pyrazol-1-yl)methane","(E)-2,2,2-tri(1H-pyrazol-1-yl)acetaldehyde oxime","","- C11 H11 N7 O -","- C11 H11 N7 O -","- C44 H44 N28 O4 -","4","1","","Gomes, Carla; Costa, Mariana; Lopes, Susana M. M.; Nogueira, Bernardo Albuquerque; Fausto, Rui; Paixão, José A.; Pinho e Melo, Teresa M. V. D.; Martins, Luísa M. D. R. S.; Pineiro, Marta","On the mechanochemical synthesis of C-scorpionates with an oxime moiety and their application in the copper-catalyzed azide–alkyne cycloaddition (CuAAC) reaction","New Journal of Chemistry","2024","48","2","874","886","10.1039/D3NJ05017C","","","0.71073","MoKα","","0.0467","0.0353","","","0.0884","0.0975","","","","","","1.035","","","","has coordinates","289595","2024-02-04","12:23:14",""
"7062924","7.4376","0.0001","11.9779","0.0003","22.9882","0.0005","90","","90","","90","","2047.95","0.07","290.15","","290.15","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C9 H6 Cl2 N Ni0.5 O3 -","- C9 H6 Cl2 N Ni0.5 O3 -","- C72 H48 Cl16 N8 Ni4 O24 -","8","1","","Wang, Le; Li, Yong-Shuang; Wang, Meidi; Wu, Zhuo-Hao; Wu, Ya-Pan; Cao, Yu; Wu, Xue-Qian; Li, Dong-Sheng","Halogen-engineered metal–organic frameworks enable high-performance electrochemical glucose sensing","New Journal of Chemistry","2024","48","4","1495","1501","10.1039/D3NJ05053J","","x-ray","1.54184","CuKα","","0.0556","0.0441","","","0.1111","0.1163","","","","","","1.063","","","","has coordinates","289587","2024-02-04","12:21:38",""
"7062925","28.068","0.008","28.068","0.008","9.344","0.003","90","","90","","90","","7361","4","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C13 H24 Cu N4 O7 -","- C13 H24 Cu N4 O7 -","- C208 H384 Cu16 N64 O112 -","16","1","","Köse Yaman, Pelin; Demir, Sevde; Denizaltı, Serpil; Erer, Hakan; Yeşilel, Okan Zafer","A copper(ii) metal–organic framework with 2,2-dimethylglutarate and imidazole ligands: synthesis, characterization and catalytic performance for cycloaddition of CO2 to epoxides","New Journal of Chemistry","2024","48","4","1850","1855","10.1039/D3NJ04256A","","","0.71073","MoKα","","0.0676","0.0546","","","0.1028","0.1095","","","","","","1.201","","","","has coordinates","289590","2024-02-04","12:22:16",""
"7062926","8.6378","0.0019","11.746","0.003","11.427","0.003","90","","92.577","0.011","90","","1158.2","0.5","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C20 H24 Cd I2 N2 O4 -","- C20 H24 Cd I2 N2 O4 -","- C40 H48 Cd2 I4 N4 O8 -","2","0.5","","Sathapat, Dibyendu; Das, Mainak; Das, Manik; Das, Uttam Kumar; Bag, Arijit; Laha, Soumik; Ray, Partha Pratim; Samanta, Bidhan Chandra; Maity, Tithi","Development of a novel Cd(ii) metal complex for solvent-sensitive detection of Zn(ii) and Mg(ii) with the formation of Cd(ii)–Zn(ii)/Cd(ii)–Mg(ii) complexes and their application in effective Schottky devices","New Journal of Chemistry","2024","48","4","1837","1849","10.1039/D3NJ04660E","","","0.71073","MoKα","","0.0396","0.0273","","","0.0493","0.0547","","","","","","1.093","","","","has coordinates","289588","2024-02-04","12:21:51",""
"7062927","37.556","0.004","12.9596","0.0014","27.018","0.003","90","","125.815","0.003","90","","10663","2","148.53","","148.53","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82.99 H95.81 Cd2 I4 N8 O22 Zn6 -","- C82.9882 H94.9164 Cd2 I4 N8 O22 Zn6 -","- C331.953 H379.666 Cd8 I16 N32 O88 Zn24 -","4","0.5","","Sathapat, Dibyendu; Das, Mainak; Das, Manik; Das, Uttam Kumar; Bag, Arijit; Laha, Soumik; Ray, Partha Pratim; Samanta, Bidhan Chandra; Maity, Tithi","Development of a novel Cd(ii) metal complex for solvent-sensitive detection of Zn(ii) and Mg(ii) with the formation of Cd(ii)–Zn(ii)/Cd(ii)–Mg(ii) complexes and their application in effective Schottky devices","New Journal of Chemistry","2024","48","4","1837","1849","10.1039/D3NJ04660E","","","0.71073","MoKα","","0.2328","0.1379","","","0.3471","0.4195","","","","","","1.038","","","","has coordinates,has disorder","289588","2024-02-04","12:21:51",""
"7062928","20.2481","0.0019","16.8091","0.0019","15.417","0.0013","90","","92.646","0.004","90","","5241.6","0.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H14 N10 O12 Zn3 -","- C22 H14 N10 O12 Zn3 -","- C88 H56 N40 O48 Zn12 -","4","0.5","","Khan, Rais Ahmad; AlFawaz, Amal; Hasan, Imran; AlMuryyi, Nouf A.; Alhamed, Afnan A.; Laeeq, Sameen; Dey, Sandeep; Paul, Anup; Alsalme, Ali","Multifaceted properties of an engineered three-dimensional Zn(ii)–metal–organic coordination polymer: synthesis, crystal structure, efficient photocatalytic degradation of an organic dye and selective luminescent sensing","New Journal of Chemistry","2024","48","3","1287","1299","10.1039/D3NJ04709A","","","0.71073","MoKα","","0.08","0.055","","","0.1311","0.1463","","","","","","1.072","","","","has coordinates,has disorder","289600","2024-02-04","12:23:56",""
"7062929","13.1893","0.0005","13.1893","0.0005","5.2408","0.0002","90","","90","","120","","789.54","0.05","120","2","120","2","","","","","","","","4","P 63 m c","P 6c -2c","186","Manganese hydroxide vanadate divanadate","Hexamanganese manganese trihydroxide dihydrogen/hydrogenvanadate divanadate","","- H4.2 Mn6.75 O18.845 V4 -","- H4.2 Mn6.749 O18.847 V4 -","- H8.4 Mn13.498 O37.694 V8 -","2","0.166667","","Shvanskaya, Larisa V.; Krikunova, Polina V.; Vasilchikova, Tatyana M.; Borovikova, Elena Y.; Volkova, Olga S.; Vasiliev, Alexander N.","Crystal structure, infrared spectroscopy and thermodynamic properties of a manganese member of the ellenbergerite family","New Journal of Chemistry","2024","48","5","1952","1957","10.1039/D3NJ05142K","","","0.71073","MoKα","","0.0199","0.018","","","0.0393","0.04","","","","","","1.078","","","","has coordinates","289584","2024-02-04","12:20:57",""
"7062930","21.273","0.004","7.2489","0.0012","15.064","0.003","90","","90","","90","","2323","0.7","295","2","295","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C50 H33 N25 -","- C50 H33 N25 -","- C100 H66 N50 -","2","0.5","","Korotina, Anna V.; Tolshchina, Svetlana G.; Gazizov, Denis A.; Steparuk, Alexander S.; Kim, Grigory A.; Demina, Nadezhda S.; Ganebnykh, Ilya N.; Slepukhin, Pavel A.; Aleksandrov, Alexey E.; Tameev, Alexey R.; Rusinov, Gennady L.","Novel helix-shape bis[1,2,4]triazolo[4,3-b:3′,4′-f][1,2,4,5]tetrazines: synthesis, optical and charge-transfer properties","New Journal of Chemistry","2024","48","5","1983","1991","10.1039/D3NJ05306G","","","0.71073","MoKα","","0.1546","0.0407","","","0.0456","0.0579","","","","","","0.717","","","","has coordinates,has disorder","289579","2024-02-04","12:20:02",""
"7062931","14.29","0.003","7.87","0.003","25.42","0.009","90","","100.45","0.02","90","","2811.4","1.6","295","2","295","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C29 H27 N8 O6 -","- C29 H27 N8 O6 -","- C116 H108 N32 O24 -","4","1","","Korotina, Anna V.; Tolshchina, Svetlana G.; Gazizov, Denis A.; Steparuk, Alexander S.; Kim, Grigory A.; Demina, Nadezhda S.; Ganebnykh, Ilya N.; Slepukhin, Pavel A.; Aleksandrov, Alexey E.; Tameev, Alexey R.; Rusinov, Gennady L.","Novel helix-shape bis[1,2,4]triazolo[4,3-b:3′,4′-f][1,2,4,5]tetrazines: synthesis, optical and charge-transfer properties","New Journal of Chemistry","2024","48","5","1983","1991","10.1039/D3NJ05306G","","","0.71073","MoKα","","0.1729","0.0436","","","0.0453","0.0505","","","","","","0.886","","","","has coordinates,has disorder","289579","2024-02-04","12:20:02",""
"7062932","4.9587","0.0001","12.6054","0.0003","16.0639","0.0003","90","","96.892","0.002","90","","996.84","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N2 O4 -","- C10 H10 N2 O4 -","- C40 H40 N8 O16 -","4","1","","Khan, Ishaat M.; Khan, Arshi; Shakya, Sonam; Osama, Mohammad; Islam, Maidul; Naaz, Farha; Ahmad, Musheer","Investigating the binding of organic charge transfer co-crystals to human serum albumin by experimental and theoretical methods: spectroscopy, molecular docking and DFT/TD-DFT studies","New Journal of Chemistry","2024","48","6","2527","2546","10.1039/D3NJ05194C","","x-ray","0.71073","MoKα","","0.0572","0.0493","","","0.1388","0.1455","","","","","","1.0524","","","","has coordinates","290235","2024-03-04","20:36:04",""
"7062933","8.3511","0.0008","44.872","0.004","8.0328","0.0007","90","","97.781","0.003","90","","2982.4","0.5","150","2","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H33 Cl Co N6 O9.5 -","- C26 H33 Cl Co N6 O9.5 -","- C104 H132 Cl4 Co4 N24 O38 -","4","1","","Jana, Narayan Ch.; Brandão, Paula; Gomila, Rosa M.; Frontera, Antonio; Panja, Anangamohan","Insight into the conformational selectivity of cobalt(iii) complexes with a tetradentate salen-type Schiff base ligand and their biorelevant catalysis: a combined experimental and theoretical study","New Journal of Chemistry","2024","48","6","2389","2402","10.1039/D3NJ04609E","","","0.71073","MoKα","","0.0699","0.054","","","0.1282","0.1356","","","","","","1.098","","","","has coordinates,has disorder","290234","2024-03-04","20:35:54",""
"7062934","10.5335","0.0012","12.2859","0.0014","13.8424","0.0016","108.192","0.004","108.333","0.004","100.9","0.004","1531.3","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H36 Cl Co N6 O10 -","- C27 H36 Cl Co N6 O10 -","- C54 H72 Cl2 Co2 N12 O20 -","2","1","","Jana, Narayan Ch.; Brandão, Paula; Gomila, Rosa M.; Frontera, Antonio; Panja, Anangamohan","Insight into the conformational selectivity of cobalt(iii) complexes with a tetradentate salen-type Schiff base ligand and their biorelevant catalysis: a combined experimental and theoretical study","New Journal of Chemistry","2024","48","6","2389","2402","10.1039/D3NJ04609E","","","0.71073","MoKα","","0.0378","0.035","","","0.0973","0.0999","","","","","","1.052","","","","has coordinates","290234","2024-03-04","20:35:55",""
"7062935","38.549","0.004","38.549","0.004","14.249","0.0014","90","","90","","120","","18338","3","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C105 H127.5 Cl3 Co3 N13.5 O28.5 -","- C105 H127.5 Cl3 Co3 N13.5 O28.5 -","- C630 H765 Cl18 Co18 N81 O171 -","6","0.333333","","Jana, Narayan Ch.; Brandão, Paula; Gomila, Rosa M.; Frontera, Antonio; Panja, Anangamohan","Insight into the conformational selectivity of cobalt(iii) complexes with a tetradentate salen-type Schiff base ligand and their biorelevant catalysis: a combined experimental and theoretical study","New Journal of Chemistry","2024","48","6","2389","2402","10.1039/D3NJ04609E","","","0.71073","MoKα","","0.0665","0.0554","","","0.1725","0.1863","","","","","","1.043","","","","has coordinates,has disorder","290234","2024-03-04","20:35:55",""
"7062936","11.0647","0.0001","16.86","0.0002","17.5562","0.0002","90","","107.436","0.001","90","","3124.64","0.06","100","0.1","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H35.3 Cl Co N6 O9 -","- C30 H35.3 Cl Co N6 O9 -","- C120 H141.2 Cl4 Co4 N24 O36 -","4","1","","Jana, Narayan Ch.; Brandão, Paula; Gomila, Rosa M.; Frontera, Antonio; Panja, Anangamohan","Insight into the conformational selectivity of cobalt(iii) complexes with a tetradentate salen-type Schiff base ligand and their biorelevant catalysis: a combined experimental and theoretical study","New Journal of Chemistry","2024","48","6","2389","2402","10.1039/D3NJ04609E","","","1.54184","CuKα","","0.0476","0.0447","","","0.1269","0.1319","","","","","","1.107","","","","has coordinates,has disorder","290234","2024-03-04","20:35:55",""
"7062937","12.0243","0.0017","19.665","0.003","13.204","0.002","90","","91.104","0.006","90","","3121.6","0.8","150","2","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H33 Cl Co N4 O8.5 -","- C30 H33 Cl Co N4 O8.5 -","- C120 H132 Cl4 Co4 N16 O34 -","4","1","","Jana, Narayan Ch.; Brandão, Paula; Gomila, Rosa M.; Frontera, Antonio; Panja, Anangamohan","Insight into the conformational selectivity of cobalt(iii) complexes with a tetradentate salen-type Schiff base ligand and their biorelevant catalysis: a combined experimental and theoretical study","New Journal of Chemistry","2024","48","6","2389","2402","10.1039/D3NJ04609E","","","0.71073","MoKα","","0.0419","0.0347","","","0.0887","0.0962","","","","","","1.058","","","","has coordinates","290234","2024-03-04","20:35:55",""
"7062938","25.3579","0.0005","20.4126","0.0003","14.2746","0.0003","90","","105.537","0.002","90","","7118.8","0.2","297.5","0.6","297.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H67 Cl Co2 N8 O18 -","- C60 H67 Cl Co2 N8 O18 -","- C240 H268 Cl4 Co8 N32 O72 -","4","1","","Jana, Narayan Ch.; Brandão, Paula; Gomila, Rosa M.; Frontera, Antonio; Panja, Anangamohan","Insight into the conformational selectivity of cobalt(iii) complexes with a tetradentate salen-type Schiff base ligand and their biorelevant catalysis: a combined experimental and theoretical study","New Journal of Chemistry","2024","48","6","2389","2402","10.1039/D3NJ04609E","","","1.54184","CuKα","","0.1037","0.0756","","","0.2167","0.2417","","","","","","1.016","","","","has coordinates","290234","2024-03-04","20:35:55",""
"7062939","9.2857","0.0006","9.3554","0.0006","12.1715","0.0008","74.363","0.002","76.108","0.002","89.435","0.002","986.74","0.11","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 Br N O2 -","- C23 H20 Br N O2 -","- C46 H40 Br2 N2 O4 -","2","1","","Pavithra, Thangavel; Gnanaoli, Karthiyayini; Rajkumar, Deepan Babu; Puhazhendhi, Arulmozhi; Sivalingam, Soumya; Sampath, Natarajan; Nagarajan, Subbiah; Sridharan, Vellaisamy; Maheswari, C. Uma","Modular three-component synthesis of 6H-benzochromenone based blue luminogens under catalyst- and solvent-free conditions","New Journal of Chemistry","2024","48","5","2175","2182","10.1039/D3NJ04721K","","","0.71073","MoKα","","0.1095","0.0429","","","0.0953","0.1199","","","","","","1.003","","","","has coordinates","289585","2024-02-04","12:21:07",""
"7062940","10.1267","0.0017","10.9088","0.0018","12.076","0.002","78.05","0.003","72.589","0.003","76.521","0.003","1224.2","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 Cu F6 N6 O4 -","- C22 H16 Cu F6 N6 O4 -","- C44 H32 Cu2 F12 N12 O8 -","2","1","","Uvarova, Marina A.; Lutsenko, Irina A.; Shmelev, Maxim A.; Nefedov, Sergey E.; Bekker, Olga B.; Lashkin, Arseniy I.; Shender, Victoria O.; Eremenko, Igor L.","Research of the influence of anions in complexes [CuPhen(Hpz)2X2] (X = CF3COO−, Otf−, Cl−) on the structure and bioactivity","New Journal of Chemistry","2024","48","2","717","723","10.1039/D3NJ04903E","","","0.71073","MoKα","","0.114","0.0629","","","0.1473","0.1708","","","","","","1.014","","","","has coordinates,has disorder","288622","2024-01-03","01:41:50",""
"7062941","13.2386","0.0014","8.9177","0.0013","15.758","0.002","90","","95.674","0.008","90","","1851.2","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cl2 Cu N6 -","- C18 H16 Cl2 Cu N6 -","- C72 H64 Cl8 Cu4 N24 -","4","1","","Uvarova, Marina A.; Lutsenko, Irina A.; Shmelev, Maxim A.; Nefedov, Sergey E.; Bekker, Olga B.; Lashkin, Arseniy I.; Shender, Victoria O.; Eremenko, Igor L.","Research of the influence of anions in complexes [CuPhen(Hpz)2X2] (X = CF3COO−, Otf−, Cl−) on the structure and bioactivity","New Journal of Chemistry","2024","48","2","717","723","10.1039/D3NJ04903E","","","0.71073","MoKα","","0.0974","0.0493","","","0.0856","0.0979","","","","","","1.03","","","","has coordinates","288622","2024-01-03","01:42:02",""
"7062942","16.084","0.003","11.6918","0.0017","16.023","0.003","90","","119.823","0.003","90","","2614.1","0.8","150","2","150.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Cu F6 N6 O6 S2 -","- C20 H16 Cu F6 N6 O6 S2 -","- C80 H64 Cu4 F24 N24 O24 S8 -","4","0.5","","Uvarova, Marina A.; Lutsenko, Irina A.; Shmelev, Maxim A.; Nefedov, Sergey E.; Bekker, Olga B.; Lashkin, Arseniy I.; Shender, Victoria O.; Eremenko, Igor L.","Research of the influence of anions in complexes [CuPhen(Hpz)2X2] (X = CF3COO−, Otf−, Cl−) on the structure and bioactivity","New Journal of Chemistry","2024","48","2","717","723","10.1039/D3NJ04903E","","","0.71073","MoKα","","0.0499","0.0356","","","0.0886","0.0966","","","","","","1.012","","","","has coordinates","288622","2024-01-03","01:42:05",""
"7062943","9.6581","0.0007","28.4118","0.0014","13.7644","0.001","90","","106.496","0.002","90","","3621.5","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H44 Co2 Cu3 N12 O28 -","- C12 H44 Co2 Cu3 N12 O28 -","- C48 H176 Co8 Cu12 N48 O112 -","4","1","","Lagunova, Varvara; Rubilkin, Pavel; Filatov, Evgeny; Plyusnin, Pavel; Kuratieva, Natalia; Korenev, Sergey","Oxalatocuprate(ii) hexaammincobalt(iii) as a precursor of metastable solid solutions in the Co–Cu system","New Journal of Chemistry","2024","48","4","1578","1586","10.1039/D3NJ05311C","","x-ray","0.71073","MoKα","","0.1204","0.0587","","","0.1084","0.1274","","","","","","0.972","","","","has coordinates","289593","2024-02-04","12:22:54",""
"7062944","9.8241","0.0018","11.6975","0.0019","21.881","0.004","90","","111.144","0.008","90","","2345.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(±)-<i>trans</i>-6,6'-Diethoxy-2,2'-[cyclohexane-1,2-diylbis(nitrilomethanylylidene)]diphenol monohydrate","","- C24 H32 N2 O5 -","- C24 H32 N2 O5 -","- C96 H128 N8 O20 -","4","1","","Mohan, Nithya; Sreejith, S. S.; Kurup, M. R. Prathapachandra","A novel Salen-based dual channel sensor for easy and selective nanomolar detection of l-cysteine","New Journal of Chemistry","2024","48","6","2584","2593","10.1039/D3NJ05504C","","","0.71073","MoKα","","0.1503","0.0683","","","0.1504","0.1904","","","","","","1.012","","","","has coordinates","290239","2024-03-04","20:36:39",""
"7062945","8.0413","0.0005","14.3206","0.0008","21.6156","0.0008","78.691","0.004","88.151","0.004","87.222","0.005","2437.3","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","2,5-bis(4-(2,1,3-benzoxadiazolyl))-1,4-bis(4-dodecylphenyl)-1,4-dihydropyrrolo[3,2-b]pyrrole","","- C54.83 H67.65 Cl1.65 N6 O2 -","- C54.824 H67.648 Cl1.648 N6 O2 -","- C109.648 H135.296 Cl3.296 N12 O4 -","2","1","","Szymański, Bartosz; Sahoo, Smruti Ranjan; Valiev, Rashid; Vakuliuk, Olena; Łaski, Piotr; Jarzembska, Katarzyna N.; Kamiński, Radosław; Baryshnikov, Glib; Teimouri, Mohammad B.; Gryko, Daniel T.","The effect of rigidity on the emission of quadrupolar strongly polarized dyes","New Journal of Chemistry","2024","48","6","2416","2420","10.1039/D3NJ05467E","","x-ray","1.54184","CuKα","","0.0999","0.0732","","","0.1985","0.226","","","","","","1.049","","","","has coordinates,has disorder","290236","2024-03-04","20:36:13",""
"7062946","10.5408","0.0007","8.9758","0.0005","16.0958","0.0007","90","","98.351","0.005","90","","1506.71","0.15","150","0.1","150","0.1","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C29 H41 N5 O12 -","- C29 H41 N5 O12 -","- C58 H82 N10 O24 -","2","0.5","","Chen, Zi-Yue; Wang, Xi-Rui; Xu, Ke-Lan; Hu, Pan; Tian, You-Ping; Wang, Hui-Juan; Zhou, Ying; Liu, Xiong-Li","Py-2NO ligand enabled Ni(ii)-catalyzed asymmetric Michael addition reaction of indoles with β,γ-unsaturated α-keto esters","New Journal of Chemistry","2024","48","4","1688","1695","10.1039/D3NJ05076A","","x-ray","1.54184","CuKα","","0.071","0.0647","","","0.1763","0.183","","","","","","1.05","","","","has coordinates","289592","2024-02-04","12:22:42",""
"7062947","9.3538","0.0001","9.3538","0.0001","24.4673","0.0003","90","","90","","120","","1853.93","0.04","162","18","162","18","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C29 H31 N5 O3 -","- C29 H31 N5 O3 -","- C87 H93 N15 O9 -","3","0.5","","Chen, Zi-Yue; Wang, Xi-Rui; Xu, Ke-Lan; Hu, Pan; Tian, You-Ping; Wang, Hui-Juan; Zhou, Ying; Liu, Xiong-Li","Py-2NO ligand enabled Ni(ii)-catalyzed asymmetric Michael addition reaction of indoles with β,γ-unsaturated α-keto esters","New Journal of Chemistry","2024","48","4","1688","1695","10.1039/D3NJ05076A","","x-ray","1.54184","CuKα","","0.038","0.0378","","","0.1036","0.1037","","","","","","1.085","","","","has coordinates","289592","2024-02-04","12:22:42",""
"7062948","25.6308","0.0019","25.6308","0.0019","13.8132","0.0012","90","","90","","120","","7858.7","1.1","170","0.1","170","0.1","","","","","","","","4","P 61","P 61","169","","","","- C23 H29 N3 O4 -","- C23 H29 N3 O4 -","- C276 H348 N36 O48 -","12","2","","Chen, Zi-Yue; Wang, Xi-Rui; Xu, Ke-Lan; Hu, Pan; Tian, You-Ping; Wang, Hui-Juan; Zhou, Ying; Liu, Xiong-Li","Py-2NO ligand enabled Ni(ii)-catalyzed asymmetric Michael addition reaction of indoles with β,γ-unsaturated α-keto esters","New Journal of Chemistry","2024","48","4","1688","1695","10.1039/D3NJ05076A","","","1.54184","CuKα","","0.1524","0.087","","","0.2086","0.231","","","","","","0.818","","","","has coordinates","289592","2024-02-04","12:22:42",""
"7062949","9.59358","0.00018","10.5593","0.0002","11.9248","0.0003","103.814","0.0019","97.5949","0.0017","98.8737","0.0017","1140.9","0.04","293","2","293","2","","","","","","","synthesized","4","P -1","-P 1","2","","","","- C23 H32 N4 O2 -","- C23 H32 N4 O2 -","- C46 H64 N8 O4 -","2","1","","Soam, Pooja; Mandal, Debasish; Tyagi, Vikas","Synthesis of N-fused polycyclic indoles via a Pd-catalyzed multicomponent cascade reaction consisting of an amide-directed [3+1+1] annulation reaction of 3-diazo oxindole and isocyanides","New Journal of Chemistry","2024","48","6","2639","2648","10.1039/D3NJ04886A","","x-ray","0.71073","MoKα","","0.0698","0.0497","","","0.126","0.1399","","","","","","1.066","","","","has coordinates","290241","2024-03-04","20:37:01",""
"7062950","14.4011","0.0008","16.9452","0.0008","22.2478","0.0012","90","","101.857","0.002","90","","5313.3","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H55 Cl Cu2 N8 O16 -","- C49 H55 Cl Cu2 N8 O16 -","- C196 H220 Cl4 Cu8 N32 O64 -","4","0.5","","Wang, Ling-Li; Wang, Kai-Tong; Duan, Wen-Long; Luan, Jian; Han, Xiao-Ri","Influence of bridging atoms in copper-based coordination polymers for enhancing urease inhibition activity","New Journal of Chemistry","2024","48","6","2787","2795","10.1039/D3NJ05051C","","","0.71073","MoKα","","0.0737","0.0437","","","0.1119","0.1256","","","","","","1.03","","","","has coordinates","290240","2024-03-04","20:36:47",""
"7062951","8.3526","0.001","8.6543","0.001","10.7547","0.0013","85.213","0.002","75.719","0.002","80.446","0.002","742.2","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Cu3 N4 O12 -","- C30 H24 Cu3 N4 O12 -","- C30 H24 Cu3 N4 O12 -","1","0.5","","Wang, Ling-Li; Wang, Kai-Tong; Duan, Wen-Long; Luan, Jian; Han, Xiao-Ri","Influence of bridging atoms in copper-based coordination polymers for enhancing urease inhibition activity","New Journal of Chemistry","2024","48","6","2787","2795","10.1039/D3NJ05051C","","","0.71073","MoKα","","0.032","0.0296","","","0.083","0.0842","","","","","","1.019","","","","has coordinates,has disorder","290240","2024-03-04","20:36:48",""
"7062952","12.5817","0.0003","20.0466","0.0004","25.8921","0.0005","90","","93.079","0.001","90","","6521.1","0.2","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H40 F12 N4 O9 P2 S4 -","- C58 H40 F12 N4 O9 P2 S4 -","- C232 H160 F48 N16 O36 P8 S16 -","4","1","","Yang, Fei; Li, Yunong; Huang, Kecheng; Wei, Wei; Xu, Yanqing","A cyclophane-based host–guest charge transfer complex for NIR-II photothermal conversion","New Journal of Chemistry","2024","48","7","2901","2906","10.1039/D3NJ05714C","","","1.54178","CuKα","","0.0845","0.0583","","","0.1415","0.1531","","","","","","1.055","","","","has coordinates","290242","2024-03-04","20:37:15",""
"7062953","29.345","0.015","10.413","0.005","18.328","0.009","90","","103.632","0.015","90","","5443","5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 N12 Na6 Ni3 O28 S6 -","- C30 H26 N12 Na6 Ni3 O28 S6 -","- C120 H104 N48 Na24 Ni12 O112 S24 -","4","0.5","","Kalinke, Lucas H. G.; Silva, Mariany S.; Rabelo, Renato; Valdo, Ana K.; Martins, Felipe T.; Moliner, Nicolás; Julve, Miguel; Lloret, Francesc; Cano, Joan; Cangussu, Danielle","Crystal structure, magnetic properties and theoretical study of a bithiazolebis(oxamate)-containing [NiII3] helicate","New Journal of Chemistry","2024","48","5","1971","1982","10.1039/D3NJ04701F","","","0.71073","MoKα","","0.0774","0.0571","","","0.1684","0.182","","","","","","1.069","","","","has coordinates","289581","2024-02-04","12:20:28",""
"7062954","23.447","0.006","10.992","0.003","17.992","0.007","90","","127.576","0.003","90","","3675","2","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","NEt4ACPFSA","","","- C12 H20 F6 N2 O4 S2 -","- C12 H20 F6 N2 O4 S2 -","- C96 H160 F48 N16 O32 S16 -","8","1","","Nakazono, Yosuke; Inoue, Ryota; Sumitani, Ryo; Mochida, Tomoyuki","Ionic plastic crystals and ionic liquids containing quaternary cations with alkenyl substituents: chemical phase transformations by bromine vapor","New Journal of Chemistry","2024","48","5","2219","2225","10.1039/D3NJ05633C","","","0.71073","MoKα","","0.0978","0.0498","","","0.1017","0.1171","","","","","","1.009","","","","has coordinates","289582","2024-02-04","12:20:37",""
"7062955","31.144","0.013","7.46","0.003","16.328","0.007","90","","117.839","0.005","90","","3355","2","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","NMe3VCPFSA_Br2_CPFSA","","","- C8 H12 Br2 F6 N2 O4 S2 -","- C8 H12 Br2 F6 N2 O4 S2 -","- C64 H96 Br16 F48 N16 O32 S16 -","8","1","","Nakazono, Yosuke; Inoue, Ryota; Sumitani, Ryo; Mochida, Tomoyuki","Ionic plastic crystals and ionic liquids containing quaternary cations with alkenyl substituents: chemical phase transformations by bromine vapor","New Journal of Chemistry","2024","48","5","2219","2225","10.1039/D3NJ05633C","","","0.71073","MoKα","","0.0495","0.0366","","","0.095","0.1006","","","","","","1.105","","","","has coordinates","289582","2024-02-04","12:20:37",""
"7062956","48.1535","0.0019","19.3949","0.0008","15.7658","0.0005","90","","99.221","0.002","90","","14533.9","1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C126 H166 Dy4 N20 Ni4 O55 -","- C116 H100 Dy4 N20 Ni4 O32 -","- C464 H400 Dy16 N80 Ni16 O128 -","4","0.5","","Zhu, Yu-Jie; Wang, Hui-Sheng; Chen, Yuxiang; Zhou, Pengfei; Wu, Yanfang; Zhang, Yi-Quan","Synthesis, crystal structure and magnetic properties of octanuclear Ni4Ln4 complexes constructed using a Schiff base ligand and di-2-pyridyl ketone","New Journal of Chemistry","2024","48","8","3438","3446","10.1039/D3NJ05343A","","","0.71073","MoKα","","0.1192","0.0607","","","0.1469","0.1638","","","","","","1.096","","","","has coordinates","290226","2024-03-04","20:33:48",""
"7062957","48.124","0.0017","19.4411","0.0007","15.7458","0.0007","90","","99.345","0.001","90","","14536","1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C126 H162 N20 Ni4 O53 Y4 -","- C116 H100 N20 Ni4 O32 Y4 -","- C464 H400 N80 Ni16 O128 Y16 -","4","0.5","","Zhu, Yu-Jie; Wang, Hui-Sheng; Chen, Yuxiang; Zhou, Pengfei; Wu, Yanfang; Zhang, Yi-Quan","Synthesis, crystal structure and magnetic properties of octanuclear Ni4Ln4 complexes constructed using a Schiff base ligand and di-2-pyridyl ketone","New Journal of Chemistry","2024","48","8","3438","3446","10.1039/D3NJ05343A","","","0.71073","MoKα","","0.101","0.0594","","","0.1775","0.1976","","","","","","1.098","","","","has coordinates","290226","2024-03-04","20:33:48",""
"7062958","48.0558","0.0015","19.4125","0.0006","15.7368","0.0004","90","","99.265","0.001","90","","14489.1","0.7","172","2","172","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C126 H164 Dy0.09 N20 Ni4 O54 Y3.91 -","- C116 H100 Dy0.064 N20 Ni4 O32 Y3.936 -","- C464 H400 Dy0.256 N80 Ni16 O128 Y15.744 -","4","0.5","","Zhu, Yu-Jie; Wang, Hui-Sheng; Chen, Yuxiang; Zhou, Pengfei; Wu, Yanfang; Zhang, Yi-Quan","Synthesis, crystal structure and magnetic properties of octanuclear Ni4Ln4 complexes constructed using a Schiff base ligand and di-2-pyridyl ketone","New Journal of Chemistry","2024","48","8","3438","3446","10.1039/D3NJ05343A","","","0.71073","MoKα","","0.0989","0.0565","","","0.1628","0.1832","","","","","","1.099","","","","has coordinates,has disorder","290226","2024-03-04","20:33:48",""
"7062959","8.3889","0.0005","9.8846","0.0007","25.0684","0.0017","90","","90","","90","","2078.7","0.2","296","","296","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C12 H24 Br4 Cu N2 O4 -","- C12 H24 Br4.0008 Cu N2 O4 -","- C48 H96 Br16.0032 Cu4 N8 O16 -","4","0.5","","Wang, Xianran; Wu, Yuying; Gao, Feng; Wang, Youfu","Chiral zero-dimensional hybrid organic–inorganic metal halides based on nipecotic acid and tetrabromocuprate","New Journal of Chemistry","2024","48","7","3192","3198","10.1039/D3NJ05858A","","x-ray","1.54178","CuKα","","0.0325","0.0294","","","0.0789","0.0806","","","","","","1.054","","","","has coordinates,has disorder","290246","2024-03-04","20:37:57",""
"7062960","9.8431","0.001","8.42","0.0009","25.19","0.002","90","","90","","90","","2087.7","0.3","296.15","","296.15","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C12 H24 Br4 Cu N2 O4 -","- C12 H24 Br4 Cu N2 O4 -","- C48 H96 Br16 Cu4 N8 O16 -","4","0.5","","Wang, Xianran; Wu, Yuying; Gao, Feng; Wang, Youfu","Chiral zero-dimensional hybrid organic–inorganic metal halides based on nipecotic acid and tetrabromocuprate","New Journal of Chemistry","2024","48","7","3192","3198","10.1039/D3NJ05858A","","x-ray","1.54184","CuKα","","0.0383","0.037","","","0.1023","0.1039","","","","","","1.097","","","","has coordinates,has disorder","290246","2024-03-04","20:37:58",""
"7062961","6.1517","0.0011","11.1177","0.0019","14.455","0.002","90","","91.786","0.006","90","","988.1","0.3","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H31 N O3 Si -","- C17 H31 N O3 Si -","- C34 H62 N2 O6 Si2 -","2","1","","Chau Nguyen, Khiem; Chung, Duy T. M.; Nalaoh, Phattananawee; Lindsey, Jonathan S.","Synthesis of chiral hexynones for use as precursors to native photosynthetic hydroporphyrins","New Journal of Chemistry","2024","48","5","2097","2117","10.1039/D3NJ03900E","","","0.71073","MoKα","","0.0514","0.0433","","","0.0859","0.09","","","","","","1.067","","","","has coordinates","289580","2024-02-04","12:20:15",""
"7062962","9.0216","0.0003","13.8726","0.0005","24.6824","0.0009","90","","90","","90","","3089.08","0.19","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 Co2 N2 O10 Si -","- C25 H36 Co2 N2 O10 Si -","- C100 H144 Co8 N8 O40 Si4 -","4","1","","Chau Nguyen, Khiem; Chung, Duy T. M.; Nalaoh, Phattananawee; Lindsey, Jonathan S.","Synthesis of chiral hexynones for use as precursors to native photosynthetic hydroporphyrins","New Journal of Chemistry","2024","48","5","2097","2117","10.1039/D3NJ03900E","","","0.71073","MoKα","","0.0367","0.0303","","","0.0639","0.0667","","","","","","1.06","","","","has coordinates","289580","2024-02-04","12:20:15",""
"7062963","9.5029","0.0004","44.825","0.002","11.1259","0.0006","90","","90.692","0.003","90","","4738.9","0.4","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H36 N2 O4 Si -","- C19 H36 N2 O4 Si -","- C152 H288 N16 O32 Si8 -","8","4","","Chau Nguyen, Khiem; Chung, Duy T. M.; Nalaoh, Phattananawee; Lindsey, Jonathan S.","Synthesis of chiral hexynones for use as precursors to native photosynthetic hydroporphyrins","New Journal of Chemistry","2024","48","5","2097","2117","10.1039/D3NJ03900E","","","1.54178","CuKα","","0.0918","0.0799","","","0.2241","0.2413","","","","","","1.025","","","","has coordinates,has disorder","289580","2024-02-04","12:20:15",""
"7062964","4.7263","0.0017","15.85","0.006","17.689","0.007","90","","90","","90","","1325.1","0.9","193","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 N2 O3 -","- C17 H12 N2 O3 -","- C68 H48 N8 O12 -","4","1","","Qin, Hui; Wei, Guo-Liang; Zheng, Xiao-Wei; Bao, Mei-Hua; Zhang, Yi-Wen; Huang, Ping","K2S2O8-mediated direct C–H functionalization to synthesize quinoxalin-2(1H)-one derivatives in water","New Journal of Chemistry","2024","48","7","2945","2949","10.1039/D3NJ04784A","","x-ray","1.54178","CuKα","","0.1231","0.0619","","","0.1488","0.2033","","","","","","1.038","","","","has coordinates","290245","2024-03-04","20:37:49",""
"7062965","8.3648","0.0004","11.0439","0.0006","11.5384","0.0008","107.679","0.006","103.872","0.005","106.779","0.005","907.55","0.11","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C13 H28 Cl Cu N7 O3 -","- C13 H28 Cl Cu N7 O3 -","- C26 H56 Cl2 Cu2 N14 O6 -","2","1","","Hajibabaei, Farshid; Salehzadeh, Sadegh; Derakhshandeh, Katayoun; Gable, Robert William","A new Cu(ii) complex derived from the reaction between tris(2-aminoethyl)amine and Cu(i)-activated acetonitrile with potent anticancer activity against some cell lines and high affinity for the essential proteins of SARS-CoV-2","New Journal of Chemistry","2024","48","5","2251","2260","10.1039/D3NJ04142E","","x-ray","0.71073","MoKα","","0.0362","0.0317","","","0.0798","0.0826","","","","","","1.048","","","","has coordinates","289578","2024-02-04","12:19:48",""
"7062966","5.955","0.011","5.955","0.011","5.955","0.011","90","","90","","90","","211.2","0.7","273","","273","2","","","","","","","","3","P -4 3 m","P -4 2 3","215","","","","- B4 H16 Zr -","- B4 H16 Zr -","- B4 H16 Zr -","1","0.0416667","","Burkmann, Konrad; Habermann, Franziska; Schumann, Erik; Kraus, Jakob; Störr, Bianca; Schmidt, Horst; Brendler, Erica; Seidel, Jürgen; Bohmhammel, Klaus; Kortus, Jens; Mertens, Florian","Structural and thermodynamic investigations of Zr(BH4)4 and Hf(BH4)4 between 280 K and their decomposition temperatures","New Journal of Chemistry","2024","48","6","2743","2754","10.1039/D3NJ05601E","","","0.71073","MoKα","","0.0114","0.0114","","","0.0272","0.0272","","","","","","1.052","","","","has coordinates","290238","2024-03-04","20:36:28",""
"7062967","5.946","0.01","5.946","0.01","5.946","0.01","90","","90","","90","","210.2","0.6","288","","288","","","","","","","","","3","P -4 3 m","P -4 2 3","215","","","","- B4 H16 Hf -","- B4 H16 Hf -","- B4 H16 Hf -","1","0.0416667","","Burkmann, Konrad; Habermann, Franziska; Schumann, Erik; Kraus, Jakob; Störr, Bianca; Schmidt, Horst; Brendler, Erica; Seidel, Jürgen; Bohmhammel, Klaus; Kortus, Jens; Mertens, Florian","Structural and thermodynamic investigations of Zr(BH4)4 and Hf(BH4)4 between 280 K and their decomposition temperatures","New Journal of Chemistry","2024","48","6","2743","2754","10.1039/D3NJ05601E","","","0.71073","MoKα","","0.0341","0.0341","","","0.0951","0.0951","","","","","","1.048","","","","has coordinates","290238","2024-03-04","20:36:28",""
"7062968","9.0044","0.0009","10.0424","0.001","10.5406","0.001","75.097","0.002","72.253","0.002","88.38","0.002","875.95","0.15","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","bis(μ2-2-(bis(2-Pyridylmethyl)amino)ethanethiolato-N,N',N"",S)-di-cadmium(ii) chloride benzene solvate","","- C34 H38 Cd2 Cl2 N6 S2 -","- C34 H38 Cd2 Cl2 N6 S2 -","- C34 H38 Cd2 Cl2 N6 S2 -","1","0.5","","Sturner, Michelle A.; Thomas, Isla D.; Owusu-Koramoah, Joshua E.; Reynolds, Todd M.; Berry, Steven M.; Butcher, Raymond J.; Bebout, Deborah C.","Aggregation behavior of group 12 complexes of a tripodal mixed NS(thiolato) donor ligand","New Journal of Chemistry","2024","48","6","2547","2557","10.1039/D3NJ05532A","","","0.71073","MoKα","","0.0274","0.0267","","","0.0731","0.0738","","","","","","1.05","","","","has coordinates","290233","2024-03-04","20:35:24",""
"7062969","12.5678","0.0013","7.6751","0.0008","16.4006","0.0018","90","","96.284","0.002","90","","1572.5","0.3","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(bis(2-Pyridylmethyl)amino)ethanethiolato-N,N',N"",S)mercury(ii) chloride","","- C14 H16 Cl Hg N3 S -","- C14 H16 Cl Hg N3 S -","- C56 H64 Cl4 Hg4 N12 S4 -","4","1","","Sturner, Michelle A.; Thomas, Isla D.; Owusu-Koramoah, Joshua E.; Reynolds, Todd M.; Berry, Steven M.; Butcher, Raymond J.; Bebout, Deborah C.","Aggregation behavior of group 12 complexes of a tripodal mixed NS(thiolato) donor ligand","New Journal of Chemistry","2024","48","6","2547","2557","10.1039/D3NJ05532A","","","0.71073","MoKα","","0.0324","0.0275","","","0.0578","0.0593","","","","","","1.106","","","","has coordinates","290233","2024-03-04","20:35:25",""
"7062970","21.3846","0.0007","9.4379","0.0003","16.6623","0.0005","90","","101.61","0.001","90","","3294.08","0.18","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","bis(μ2-2-(bis(2-Pyridylmethyl)amino)ethanethiolato-N,N',N"",S)-di-cadmium(ii) chloride methanol solvate","","- C29 H36 Cd2 Cl2 N6 O S2 -","- C29 H36 Cd2 Cl2 N6 O S2 -","- C116 H144 Cd8 Cl8 N24 O4 S8 -","4","0.5","","Sturner, Michelle A.; Thomas, Isla D.; Owusu-Koramoah, Joshua E.; Reynolds, Todd M.; Berry, Steven M.; Butcher, Raymond J.; Bebout, Deborah C.","Aggregation behavior of group 12 complexes of a tripodal mixed NS(thiolato) donor ligand","New Journal of Chemistry","2024","48","6","2547","2557","10.1039/D3NJ05532A","","","0.71073","MoKα","","0.0309","0.028","","","0.0647","0.0662","","","","","","1.128","","","","has coordinates,has disorder","290233","2024-03-04","20:35:25",""
"7062971","9.5643","0.0006","9.6576","0.0006","11.126","0.0007","104.832","0.002","105.857","0.002","91.085","0.002","951.27","0.1","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","bis(μ2-2-(bis(2-Pyridylmethyl)amino)ethanethiolato-N,N',N"",S)-di-cadmium(ii) chloride m-xylene solvate","","- C36 H42 Cd2 Cl2 N6 S2 -","- C36 H42 Cd2 Cl2 N6 S2 -","- C36 H42 Cd2 Cl2 N6 S2 -","1","0.5","","Sturner, Michelle A.; Thomas, Isla D.; Owusu-Koramoah, Joshua E.; Reynolds, Todd M.; Berry, Steven M.; Butcher, Raymond J.; Bebout, Deborah C.","Aggregation behavior of group 12 complexes of a tripodal mixed NS(thiolato) donor ligand","New Journal of Chemistry","2024","48","6","2547","2557","10.1039/D3NJ05532A","","","0.71073","MoKα","","0.0144","0.014","","","0.0363","0.0365","","","","","","1.054","","","","has coordinates,has disorder","290233","2024-03-04","20:35:25",""
"7062972","7.6269","0.0002","11.8526","0.0004","5.70105","0.00016","90","","90","","90","","515.37","0.03","293","2","293","2","","","","","","","no","4","P n a 21","P 2c -2n","33","oxide fluoride","potassium niobium oxide fluoride","","- F3 K2 Nb O2 -","- F3 K2 Nb O2 -","- F12 K8 Nb4 O8 -","4","1","","Belokoneva, Elena L.; Stefanovich, Sergey Yu.; Volkov, Anatoly S.; Dimitrova, Olga V.; Mozgova, Alexandra","New nonlinear optical oxyfluoride K2NbO2F3 with strong pseudo-centrosymmetry, obtained by mild hydrothermal synthesis","New Journal of Chemistry","2024","48","6","2569","2575","10.1039/D3NJ04922A","","","0.71073","MoKα","","0.0589","0.0542","","","0.1298","0.1361","","","","","","1.24","","","","has coordinates","290237","2024-03-04","20:36:20",""
"7062973","17.8062","0.0004","17.8062","0.0004","27.5424","0.0008","90","","90","","90","","8732.6","0.4","373","0.1","373.15","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C132.326 H160.2 Ca4 N21.442 Ni8 O84.1 -","- C132.32 H128.2 Ca4 N21.44 Ni8 O68.1 -","- C264.64 H256.4 Ca8 N42.88 Ni16 O136.2 -","2","0.25","","Kajal,; Vinayak, Richa; Gómez-García, Carlos J.; Benmansour, Samia; Nayek, Hari Pada","Quadruple bridged-carbonate supported dodecanuclear [Ni8Ca4] coordination cluster","New Journal of Chemistry","2024","48","7","3239","3246","10.1039/D3NJ05217F","","","0.71073","MoKα","","0.0941","0.0587","","","0.1315","0.1512","","","","","","1.0586","","","","has coordinates,has disorder","290243","2024-03-04","20:37:33",""
"7062974","7.804","0.005","8.861","0.004","15.717","0.007","90","","100.925","0.013","90","","1067.2","1","273.15","","273.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","diethyl (2R,2'S)-4,4'-dioxo-[2,2'-bichromane]-2,2'-dicarboxylate","","- C12 H11 O4 -","- C12 H11 O4 -","- C48 H44 O16 -","4","1","","De, Arijit; Manna, Tanaya; Debnath, Subhas Chandra; Husain, Syed Masood","Organophotoredox-catalyzed stereoselective reductive dimerization of chromone-2-carboxylic esters","New Journal of Chemistry","2024","48","5","1902","1906","10.1039/D3NJ05659G","","","0.71073","MoKα","","0.1374","0.0683","","","0.1455","0.1688","","","","","","0.9092","","","","has coordinates","289586","2024-02-04","12:21:27",""
"7062975","8.1801","0.0001","17.2524","0.0002","9.1978","0.0001","90","","101.362","0.001","90","","1272.61","0.03","100","0.1","100","0.1","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C14 H14 N6 O -","- C14 H14 N6 O -","- C56 H56 N24 O4 -","4","1","","Geng, Yanxue; Sun, Weijun; Zhang, Weixu; Li, Mengyao; Wang, Guo; Wang, Jianchun","A new class of unique quinoidal-like imidazoliumyl tetrazinides: synthesis, structure, and mechanism","New Journal of Chemistry","2024","48","8","3467","3471","10.1039/D3NJ04766K","","x-ray","1.54184","CuKα","","0.0381","0.038","","","0.0965","0.0966","","","","","","1.057","","","","has coordinates","290231","2024-03-04","20:34:47",""
"7062976","14.0018","0.0009","10.3586","0.0005","12.8117","0.0008","90","","105.501","0.007","90","","1790.61","0.19","294.61","0.1","294.61","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N6 O2 -","- C19 H18 N6 O2 -","- C76 H72 N24 O8 -","4","1","","Geng, Yanxue; Sun, Weijun; Zhang, Weixu; Li, Mengyao; Wang, Guo; Wang, Jianchun","A new class of unique quinoidal-like imidazoliumyl tetrazinides: synthesis, structure, and mechanism","New Journal of Chemistry","2024","48","8","3467","3471","10.1039/D3NJ04766K","","x-ray","1.54184","CuKα","","0.1201","0.0954","","","0.2801","0.2988","","","","","","1.056","","","","has coordinates","290231","2024-03-04","20:34:47",""
"7062977","17.2325","0.0002","18.0052","0.0002","18.4076","0.0002","90","","90","","90","","5711.41","0.11","294.44","0.13","294.44","0.13","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H16 N6 O -","- C15 H16 N6 O -","- C240 H256 N96 O16 -","16","2","","Geng, Yanxue; Sun, Weijun; Zhang, Weixu; Li, Mengyao; Wang, Guo; Wang, Jianchun","A new class of unique quinoidal-like imidazoliumyl tetrazinides: synthesis, structure, and mechanism","New Journal of Chemistry","2024","48","8","3467","3471","10.1039/D3NJ04766K","","x-ray","1.54184","CuKα","","0.0488","0.0446","","","0.1121","0.1151","","","","","","1.061","","","","has coordinates","295862","2024-11-09","12:08:11",""
"7062978","14.1035","0.0003","6.3113","0.0002","9.5102","0.0002","90","","90","","90","","846.52","0.04","298.68","0.1","298.68","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C6 H9 N6 O2 -","- C6 H8 N6 O2 -","- C24 H32 N24 O8 -","4","0.5","","Geng, Yanxue; Sun, Weijun; Zhang, Weixu; Li, Mengyao; Wang, Guo; Wang, Jianchun","A new class of unique quinoidal-like imidazoliumyl tetrazinides: synthesis, structure, and mechanism","New Journal of Chemistry","2024","48","8","3467","3471","10.1039/D3NJ04766K","","x-ray","1.54184","CuKα","","0.1227","0.117","","","0.2392","0.2478","","","","","","1.071","","","","has coordinates,has disorder","290231","2024-03-04","20:34:47",""
"7062979","8.6646","0.0017","8.0989","0.0016","12.187","0.002","90","","103.52","0.03","90","","831.5","0.3","163","2","163.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H18 Cl4 N4 Pd -","- C10 H18 Cl4 N4 Pd -","- C20 H36 Cl8 N8 Pd2 -","2","0.5","","Geng, Yanxue; Sun, Weijun; Zhang, Weixu; Li, Mengyao; Wang, Guo; Wang, Jianchun","A new class of unique quinoidal-like imidazoliumyl tetrazinides: synthesis, structure, and mechanism","New Journal of Chemistry","2024","48","8","3467","3471","10.1039/D3NJ04766K","","","0.71073","MoKα","","0.0411","0.039","","","0.1043","0.1064","","","","","","1.107","","","","has coordinates","290231","2024-03-04","20:34:47",""
"7062980","19.7106","0.0008","19.7106","0.0008","26.2488","0.0015","90","","90","","120","","8831.6","0.7","100","","100","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C168 H96 Cd6 O28 S -","- C168 H96 Cd6 O28 S -","- C336 H192 Cd12 O56 S2 -","2","0.333333","","Zhang, Jinfang; Zhao, Shunchang; Tao, Xingyu; Chen, Qinghan; Yin, Dejing; Zhang, Chi","An AIE-ligand-based coordination polymer with a new wheel-shaped Cd6 cluster, a unique bamboo-like architecture and highly efficient dual-response sensing properties","New Journal of Chemistry","2024","48","8","3656","3664","10.1039/D3NJ04960D","","","1.54178","CuKα","","0.0986","0.0551","","","0.1203","0.14","","","","","","0.942","","","","has coordinates","290232","2024-03-04","20:35:04",""
"7062981","10.629","0.004","10.842","0.004","17.852","0.006","95.87","0.006","102.724","0.006","97.703","0.006","1970.1","1.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H23 O10 Tb -","- C34 H23 O10 Tb -","- C68 H46 O20 Tb2 -","2","1","","Weng, Guang-Ju; Cheng, Kang-Min; Wu, Jia-Qi; Li, Wei; Lu, Jian-Mei; Shao, Li-Xiong","Construction of a terbium-based metal–organic framework for specific detection of MnO4− in aqueous media","New Journal of Chemistry","2024","48","8","3588","3593","10.1039/D3NJ05649J","","","0.71073","MoKα","","0.0467","0.0418","","","0.118","0.1205","","","","","","1.075","","","","has coordinates","290230","2024-03-04","20:34:36",""
"7062982","5.1215","0.0011","20.904","0.004","10.697","0.002","90","","101.86","0.006","90","","1120.8","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cl2 Cu N4 O10 -","- C18 H20 Cl2 Cu N4 O10 -","- C36 H40 Cl4 Cu2 N8 O20 -","2","0.5","","Chauhan, Chetan; Kumar, Santosh; Kumar, Rajesh; Saini, Anju; Aree, Thammarat","Synergistic effects of steric constraints and non-covalent interactions in copper(ii) chloro-nitro-benzoato complexes: synthesis, structural characterization, theoretical investigations, antimicrobial studies, and molecular docking analyses","New Journal of Chemistry","2024","48","9","3829","3848","10.1039/D3NJ05361J","","","0.71073","MoKα","","0.116","0.0524","","","0.0952","0.1171","","","","","","0.982","","","","has coordinates","290249","2024-03-04","20:38:23",""
"7062983","11.6447","0.0015","6.2469","0.0011","19.4239","0.001","90","","97.353","0.004","90","","1401.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 Cl2 Cu N6 O10 -","- C22 H30 Cl2 Cu N6 O10 -","- C44 H60 Cl4 Cu2 N12 O20 -","2","0.5","","Chauhan, Chetan; Kumar, Santosh; Kumar, Rajesh; Saini, Anju; Aree, Thammarat","Synergistic effects of steric constraints and non-covalent interactions in copper(ii) chloro-nitro-benzoato complexes: synthesis, structural characterization, theoretical investigations, antimicrobial studies, and molecular docking analyses","New Journal of Chemistry","2024","48","9","3829","3848","10.1039/D3NJ05361J","","","0.71073","MoKα","","0.1317","0.0656","","","0.145","0.1731","","","","","","1.016","","","","has coordinates","290249","2024-03-04","20:38:24",""
"7062984","7.2188","0.001","7.2384","0.0011","13.1301","0.0019","96.606","0.004","90.314","0.004","99.721","0.004","671.52","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cl2 Cu N6 O10 -","- C22 H30 Cl2 Cu N6 O10 -","- C22 H30 Cl2 Cu N6 O10 -","1","0.5","","Chauhan, Chetan; Kumar, Santosh; Kumar, Rajesh; Saini, Anju; Aree, Thammarat","Synergistic effects of steric constraints and non-covalent interactions in copper(ii) chloro-nitro-benzoato complexes: synthesis, structural characterization, theoretical investigations, antimicrobial studies, and molecular docking analyses","New Journal of Chemistry","2024","48","9","3829","3848","10.1039/D3NJ05361J","","","0.71073","MoKα","","0.0783","0.0427","","","0.0868","0.102","","","","","","1.011","","","","has coordinates","290249","2024-03-04","20:38:24",""
"7062985","7.3929","0.0006","7.3942","0.0004","26.1786","0.0013","90","","98.372","0.007","90","","1415.79","0.16","293","","293","","","","","","","","","2","P 1 c 1","P -2yc","7","RUB-11","RUB-11","","- O30 Si15 -","- O30 Si15 -","- O60 Si30 -","2","1","","Grosskreuz, Isabel; Krysiak, Yaşar; Gies, Hermann; Mugnaioli, Enrico; Marler, Bernd","Synthesis and real structure of RUB-11, a novel high-density silica zeolite based on magadiite layers","New Journal of Chemistry","2024","48","9","4030","4042","10.1039/D3NJ03424K","powder diffraction","","","CuKα","","","","","","","","","3.5417","3.3618","","","","","","","has coordinates","290248","2024-03-04","20:38:15",""
"7062986","11.3624","0.0004","14.1583","0.0004","17.0895","0.0006","90","","97.425","0.003","90","","2726.17","0.16","150","2","149.9","0.6","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 Ni O2 P2 S2 -","- C30 H24 Ni O2 P2 S2 -","- C120 H96 Ni4 O8 P8 S8 -","4","1","","Kushwaha, Aparna; Srivastava, Devyani; Kociok-Köhn, Gabriele; Padwal, Yogita; Chauhan, Ratna; Gosavi, Suresh W.; Muddassir, Mohd.; Kumar, Abhinav","Insights into the supramolecular and molecular electrocatalytic properties of 1,2-bis(diphenylphosphine)ethane appended nickel(ii) 1,2-dithiosquarate for oxygen and hydrogen evolution reactions","New Journal of Chemistry","2024","48","8","3717","3728","10.1039/D4NJ00247D","","x-ray","0.71073","MoKα","","0.0832","0.058","","","0.1187","0.1272","","","","","","1.14","","","","has coordinates","290228","2024-03-04","20:34:19",""
"7062987","8.7392","0.0004","14.6766","0.0008","15.2758","0.0008","90","","102.656","0.002","90","","1911.7","0.17","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 N5 O2 -","- C25 H17 N5 O2 -","- C100 H68 N20 O8 -","4","1","","Razuwika, Rufaro; Munro, Orde Q.","Synthesis and characterization of C2-symmetric bis(carboxamide) pincer ligands","New Journal of Chemistry","2024","48","10","4229","4244","10.1039/D3NJ05502G","","","0.71073","MoKα","","0.0268","0.0187","","","0.0374","0.041","","","","","","1.0885","","","","has coordinates","291010","2024-04-05","00:02:05",""
"7062988","10.422","0.0002","11.8014","0.0003","8.6298","0.0002","90","","112.076","0.001","90","","983.6","0.04","153.15","","153.15","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C23 H19 N7 O2 -","- C23 H19 N7 O2 -","- C46 H38 N14 O4 -","2","0.5","","Razuwika, Rufaro; Munro, Orde Q.","Synthesis and characterization of C2-symmetric bis(carboxamide) pincer ligands","New Journal of Chemistry","2024","48","10","4229","4244","10.1039/D3NJ05502G","","","0.71073","MoKα","","0.0342","0.0259","","","0.0591","0.0639","","","","","","1.0941","","","","has coordinates","291010","2024-04-05","00:02:07",""
"7062989","4.4778","0.0002","16.942","0.0007","25.8329","0.001","90","","90","","90","","1959.76","0.14","173.15","","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 N5 O2 -","- C25 H17 N5 O2 -","- C100 H68 N20 O8 -","4","1","","Razuwika, Rufaro; Munro, Orde Q.","Synthesis and characterization of C2-symmetric bis(carboxamide) pincer ligands","New Journal of Chemistry","2024","48","10","4229","4244","10.1039/D3NJ05502G","","","0.71073","MoKα","","0.0227","0.0172","","","0.0278","0.0292","","","","","","1.1112","","","","has coordinates","291010","2024-04-05","00:02:07",""
"7062990","8.4952","0.0002","18.3345","0.0004","16.2123","0.0003","90","","90.689","0.001","90","","2524.97","0.09","153.15","","153.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H23 N3 O4 -","- C33 H23 N3 O4 -","- C132 H92 N12 O16 -","4","1","","Razuwika, Rufaro; Munro, Orde Q.","Synthesis and characterization of C2-symmetric bis(carboxamide) pincer ligands","New Journal of Chemistry","2024","48","10","4229","4244","10.1039/D3NJ05502G","","","0.71073","MoKα","","0.0682","0.033","","","0.0461","0.055","","","","","","1.0553","","","","has coordinates","291010","2024-04-05","00:02:07",""
"7062991","7.2743","0.0003","11.3528","0.0005","14.9566","0.0005","76.605","0.001","78.871","0.001","78.901","0.002","1164.76","0.08","153","","153","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H25 N5 O4 -","- C27 H25 N5 O4 -","- C54 H50 N10 O8 -","2","1","","Razuwika, Rufaro; Munro, Orde Q.","Synthesis and characterization of C2-symmetric bis(carboxamide) pincer ligands","New Journal of Chemistry","2024","48","10","4229","4244","10.1039/D3NJ05502G","","","0.71073","MoKα","","0.0469","0.029","","","0.0419","0.0453","","","","","","1.3006","","","","has coordinates","291010","2024-04-05","00:02:07",""
"7062992","14.2087","0.0011","15.1919","0.0012","16.8364","0.0012","79.338","0.003","72.665","0.003","69.525","0.003","3236.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H62 Co3 N10 O22 -","- C60 H62 Co3 N10 O22 -","- C120 H124 Co6 N20 O44 -","2","1","","Rahman, Sheik Allavudeen Abdul; Patra, Chandrima N.; Kole, Goutam Kumar; Peters, Silda; Sadhukhan, Tumpa; Baskar, Baburaj","Metal–organic framework-catalyzed selective oxidation of alcohols and oxidative cross-coupling for C–C and C–N bond-forming reactions","New Journal of Chemistry","2024","48","8","3513","3524","10.1039/D3NJ05260E","","","0.71073","MoKα","","0.0662","0.0578","","","0.1593","0.1684","","","","","","1.132","","","","has coordinates,has disorder","290229","2024-03-04","20:34:28",""
"7062993","13.78","0.002","13.421","0.002","17.928","0.003","90","","112.6","","90","","3061","0.8","273.15","","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H35 N2 O10 -","- C34 H35 N2 O10 -","- C136 H140 N8 O40 -","4","1","","Xing, Li; An, Youshan; Qin, Yishan; Xin, Hui; Deng, Tianyu; Meng, Kaini; Liu, Da; Xue, Wei","Design, synthesis, and antiviral activities of myricetin derivatives containing pyridazinone","New Journal of Chemistry","2024","48","1","117","130","10.1039/D3NJ04902G","","","1.54178","CuKα","","0.2199","0.1421","","","0.3449","0.402","","","","","","1.191","","","","has coordinates","289308","2024-02-04","06:30:47",""
"7062994","7.21715","0.00013","7.40565","0.00011","15.40204","0.00016","82.061","0.0011","79.0302","0.0012","89.6967","0.0013","800.23","0.02","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H11 Cl I N3 O -","- C17 H11 Cl I N3 O -","- C34 H22 Cl2 I2 N6 O2 -","2","1","","Govdi, Anastasia I.; Danilkina, Natalia A.; Shtyrov, Andrey A.; Ryazantsev, Mikhail N.; Kim, Mia D.; Kryukova, Mariya A.; Balova, Irina A.","Cu-catalyzed cycloaddition of aryl azides to 1-iodobuta-1,3-diynes: an experimental and quantum chemical study of unusual regiochemistry","New Journal of Chemistry","2024","48","11","4831","4845","10.1039/D3NJ03823H","","x-ray","1.54184","CuKα","","0.0358","0.0355","","","0.0907","0.0911","","","","","","1.05","","","","has coordinates","291029","2024-04-05","00:06:13",""
"7062995","4.7694","0.0002","20.4826","0.0012","35.0406","0.0016","90","","90","","90","","3423.1","0.3","100","6","100","6","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H14 I N3 O -","- C19 H14 I N3 O -","- C152 H112 I8 N24 O8 -","8","1","","Govdi, Anastasia I.; Danilkina, Natalia A.; Shtyrov, Andrey A.; Ryazantsev, Mikhail N.; Kim, Mia D.; Kryukova, Mariya A.; Balova, Irina A.","Cu-catalyzed cycloaddition of aryl azides to 1-iodobuta-1,3-diynes: an experimental and quantum chemical study of unusual regiochemistry","New Journal of Chemistry","2024","48","11","4831","4845","10.1039/D3NJ03823H","","x-ray","1.54184","CuKα","","0.062","0.0519","","","0.1247","0.1296","","","","","","1.091","","","","has coordinates,has disorder","291029","2024-04-05","00:06:13",""
"7062996","14.5258","0.0006","7.4296","0.0003","15.9339","0.0008","90","","107.113","0.005","90","","1643.47","0.13","100","5","100","5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 I N3 O -","- C19 H14 I N3 O -","- C76 H56 I4 N12 O4 -","4","1","","Govdi, Anastasia I.; Danilkina, Natalia A.; Shtyrov, Andrey A.; Ryazantsev, Mikhail N.; Kim, Mia D.; Kryukova, Mariya A.; Balova, Irina A.","Cu-catalyzed cycloaddition of aryl azides to 1-iodobuta-1,3-diynes: an experimental and quantum chemical study of unusual regiochemistry","New Journal of Chemistry","2024","48","11","4831","4845","10.1039/D3NJ03823H","","x-ray","1.54184","CuKα","","0.0666","0.0633","","","0.1722","0.1778","","","","","","1.06","","","","has coordinates","291029","2024-04-05","00:06:13",""
"7062997","7.2957","0.0002","7.4157","0.0002","15.3505","0.0002","98.052","0.002","101.391","0.002","90.231","0.002","805.69","0.03","100","0.1","100","0.1","","","","","","","","5","P 1","P 1","1","","","","- C18 H14 I N3 O -","- C18 H14 I N3 O -","- C36 H28 I2 N6 O2 -","2","2","","Govdi, Anastasia I.; Danilkina, Natalia A.; Shtyrov, Andrey A.; Ryazantsev, Mikhail N.; Kim, Mia D.; Kryukova, Mariya A.; Balova, Irina A.","Cu-catalyzed cycloaddition of aryl azides to 1-iodobuta-1,3-diynes: an experimental and quantum chemical study of unusual regiochemistry","New Journal of Chemistry","2024","48","11","4831","4845","10.1039/D3NJ03823H","","x-ray","1.54184","CuKα","","0.0437","0.0418","","","0.1095","0.1111","","","","","","1.092","","","","has coordinates","291029","2024-04-05","00:06:13",""
"7062998","18.5498","0.0002","20.23","0.0002","12.7711","0.0002","90","","90","","90","","4792.51","0.1","100","0.1","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C56 H48 Cu I N P3 -","- C56 H48 Cu I N P3 -","- C224 H192 Cu4 I4 N4 P12 -","4","1","","Govdi, Anastasia I.; Danilkina, Natalia A.; Shtyrov, Andrey A.; Ryazantsev, Mikhail N.; Kim, Mia D.; Kryukova, Mariya A.; Balova, Irina A.","Cu-catalyzed cycloaddition of aryl azides to 1-iodobuta-1,3-diynes: an experimental and quantum chemical study of unusual regiochemistry","New Journal of Chemistry","2024","48","11","4831","4845","10.1039/D3NJ03823H","","","0.71073","MoKα","","0.0329","0.0262","","","0.0511","0.0537","","","","","","1.038","","","","has coordinates","291029","2024-04-05","00:06:13",""
"7062999","13.11763","0.00014","14.31799","0.00012","14.44658","0.0001","71.8942","0.0007","84.0976","0.0008","87.9689","0.0008","2565.29","0.04","100","0.13","100","0.13","","","","","","","","5","P -1","-P 1","2","","","","- C54 H44.96 Cu I P3 -","- C54 H44.95 Cu I P3 -","- C108 H89.9 Cu2 I2 P6 -","2","1","","Govdi, Anastasia I.; Danilkina, Natalia A.; Shtyrov, Andrey A.; Ryazantsev, Mikhail N.; Kim, Mia D.; Kryukova, Mariya A.; Balova, Irina A.","Cu-catalyzed cycloaddition of aryl azides to 1-iodobuta-1,3-diynes: an experimental and quantum chemical study of unusual regiochemistry","New Journal of Chemistry","2024","48","11","4831","4845","10.1039/D3NJ03823H","","x-ray","1.54184","CuKα","","0.0348","0.0329","","","0.0824","0.0835","","","","","","1.095","","","","has coordinates,has disorder","291029","2024-04-05","00:06:13",""
"7063000","14.2828","0.0002","7.4218","0.0001","16.4916","0.0002","90","","108.393","0.001","90","","1658.87","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 I N3 O2 -","- C19 H14 I N3 O2 -","- C76 H56 I4 N12 O8 -","4","1","","Govdi, Anastasia I.; Danilkina, Natalia A.; Shtyrov, Andrey A.; Ryazantsev, Mikhail N.; Kim, Mia D.; Kryukova, Mariya A.; Balova, Irina A.","Cu-catalyzed cycloaddition of aryl azides to 1-iodobuta-1,3-diynes: an experimental and quantum chemical study of unusual regiochemistry","New Journal of Chemistry","2024","48","11","4831","4845","10.1039/D3NJ03823H","","x-ray","1.54184","CuKα","","0.0247","0.0242","","","0.0643","0.0648","","","","","","1.06","","","","has coordinates","291029","2024-04-05","00:06:13",""
"7063001","10.4089","0.0001","8.4862","0.0001","19.6955","0.0003","90","","97.805","0.001","90","","1723.63","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 I N3 O2 -","- C19 H14 I N3 O2 -","- C76 H56 I4 N12 O8 -","4","1","","Govdi, Anastasia I.; Danilkina, Natalia A.; Shtyrov, Andrey A.; Ryazantsev, Mikhail N.; Kim, Mia D.; Kryukova, Mariya A.; Balova, Irina A.","Cu-catalyzed cycloaddition of aryl azides to 1-iodobuta-1,3-diynes: an experimental and quantum chemical study of unusual regiochemistry","New Journal of Chemistry","2024","48","11","4831","4845","10.1039/D3NJ03823H","","x-ray","1.54184","CuKα","","0.0249","0.0244","","","0.0647","0.0652","","","","","","1.098","","","","has coordinates","291029","2024-04-05","00:06:13",""
"7063002","10.3589","0.0004","20.5853","0.0007","11.7439","0.0006","90","","105.593","0.004","90","","2412.11","0.18","100.01","0.1","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H45 Cu2 I2 P3 -","- C54 H45 Cu2 I2 P3 -","- C108 H90 Cu4 I4 P6 -","2","1","","Govdi, Anastasia I.; Danilkina, Natalia A.; Shtyrov, Andrey A.; Ryazantsev, Mikhail N.; Kim, Mia D.; Kryukova, Mariya A.; Balova, Irina A.","Cu-catalyzed cycloaddition of aryl azides to 1-iodobuta-1,3-diynes: an experimental and quantum chemical study of unusual regiochemistry","New Journal of Chemistry","2024","48","11","4831","4845","10.1039/D3NJ03823H","","","0.71073","MoKα","","0.0538","0.0415","","","0.0635","0.0693","","","","","","1.032","","","","has coordinates","291029","2024-04-05","00:06:13",""
"7063003","8.4356","0.0004","8.4928","0.0004","13.2266","0.0007","89.69","0.002","83.786","0.002","85.047","0.002","938.49","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H32 Cl2 Cu2 N6 O4 -","- C46 H32 Cl2 Cu2 N6 O4 -","- C46 H32 Cl2 Cu2 N6 O4 -","1","0.5","","Sankar, Neethu; Devarajan, Badhmapriya; Manimuthu, Akilesh; Nattamai S. P., Bhuvanesh; Nallasamy, Dharmaraj; Velusamy, Kaveri Machampalayam","Investigation on chloro-bridged binuclear copper(ii) complexes as potent metallodrug candidates against colon cancer via chemical and biological assessments","New Journal of Chemistry","2024","48","8","3741","3757","10.1039/D3NJ05335K","","","1.54178","CuKα","","0.0332","0.0305","","","0.0785","0.0804","","","","","","1.061","","","","has coordinates","290227","2024-03-04","20:34:01",""
"7063004","11.5354","0.0004","12.0272","0.0004","12.4998","0.0004","90","","93.604","0.002","90","","1730.77","0.1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H32 Cl2 Cu2 N6 O2 -","- C40 H32 Cl2 Cu2 N6 O2 -","- C80 H64 Cl4 Cu4 N12 O4 -","2","0.5","","Sankar, Neethu; Devarajan, Badhmapriya; Manimuthu, Akilesh; Nattamai S. P., Bhuvanesh; Nallasamy, Dharmaraj; Velusamy, Kaveri Machampalayam","Investigation on chloro-bridged binuclear copper(ii) complexes as potent metallodrug candidates against colon cancer via chemical and biological assessments","New Journal of Chemistry","2024","48","8","3741","3757","10.1039/D3NJ05335K","","","1.54178","CuKα","","0.075","0.0668","","","0.1665","0.176","","","","","","1.069","","","","has coordinates","290227","2024-03-04","20:34:02",""
"7063005","7.0109","0.0004","19.1977","0.0011","12.0284","0.0007","90","","100.064","0.002","90","","1594.03","0.16","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Cl2 Cu2 N6 O2 S2 -","- C34 H24 Cl2 Cu2 N6 O2 S2 -","- C68 H48 Cl4 Cu4 N12 O4 S4 -","2","0.5","","Sankar, Neethu; Devarajan, Badhmapriya; Manimuthu, Akilesh; Nattamai S. P., Bhuvanesh; Nallasamy, Dharmaraj; Velusamy, Kaveri Machampalayam","Investigation on chloro-bridged binuclear copper(ii) complexes as potent metallodrug candidates against colon cancer via chemical and biological assessments","New Journal of Chemistry","2024","48","8","3741","3757","10.1039/D3NJ05335K","","x-ray","0.71073","MoKα","","0.0504","0.0373","","","0.0728","0.0804","","","","","","1.27","","","","has coordinates,has disorder","290227","2024-03-04","20:34:02",""
"7063006","9.0207","0.0013","13.1603","0.0017","14.5195","0.0018","90","","106.049","0.004","90","","1656.5","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 Cl2 Cu2 N8 O2 -","- C36 H26 Cl2 Cu2 N8 O2 -","- C72 H52 Cl4 Cu4 N16 O4 -","2","0.5","","Sankar, Neethu; Devarajan, Badhmapriya; Manimuthu, Akilesh; Nattamai S. P., Bhuvanesh; Nallasamy, Dharmaraj; Velusamy, Kaveri Machampalayam","Investigation on chloro-bridged binuclear copper(ii) complexes as potent metallodrug candidates against colon cancer via chemical and biological assessments","New Journal of Chemistry","2024","48","8","3741","3757","10.1039/D3NJ05335K","","","0.71073","MoKα","","0.0665","0.0432","","","0.0705","0.0783","","","","","","1.127","","","","has coordinates","290227","2024-03-04","20:34:02",""
"7063007","10.3698","0.0014","21.702","0.003","7.5455","0.0011","90","","97.017","0.005","90","","1685.4","0.4","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Cl2 Cu2 N6 O4 -","- C38 H28 Cl2 Cu2 N6 O4 -","- C76 H56 Cl4 Cu4 N12 O8 -","2","0.5","","Sankar, Neethu; Devarajan, Badhmapriya; Manimuthu, Akilesh; Nattamai S. P., Bhuvanesh; Nallasamy, Dharmaraj; Velusamy, Kaveri Machampalayam","Investigation on chloro-bridged binuclear copper(ii) complexes as potent metallodrug candidates against colon cancer via chemical and biological assessments","New Journal of Chemistry","2024","48","8","3741","3757","10.1039/D3NJ05335K","","","0.71073","MoKα","","0.0714","0.0552","","","0.0964","0.1049","","","","","","1.265","","","","has coordinates","290227","2024-03-04","20:34:02",""
"7063008","7.5604","0.0008","24.508","0.003","30.452","0.003","90","","93.615","0.002","90","","5631.2","1.1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H32 Cu In N5 O8 -","- C50 H32 Cu In N5 O8 -","- C200 H128 Cu4 In4 N20 O32 -","4","0.5","","Pan, Pan; Wang, Sheng; Wei, Xuesong; Hu, Guangjie; Li, Shihao; Li, Mingming; Feng, Yi-Si","Bimetallic porphyrin MOF derived CuIn particles/carbon composites as ideal microwave absorbers","New Journal of Chemistry","2024","48","11","4789","4800","10.1039/D4NJ00071D","","","0.71073","MoKα","","0.102","0.0635","","","0.176","0.1963","","","","","","1.066","","","","has coordinates","291028","2024-04-05","00:05:57",""
"7063009","17.2579","0.001","6.543","0.0004","22.8388","0.0014","90","","95.849","0.002","90","","2565.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 F9 N3 O9 Zn1.5 -","- C21 H15 F9 N3 O9 Zn1.5 -","- C84 H60 F36 N12 O36 Zn6 -","4","1","","Zhu, Xiaoshuang; Yang, Yanhong; Li, Bing; Liang, Jiawei; Fu, Shoufeng; Wu, Hongyan; He, Jiaxing; Chen, Xiaoyan","Trifluoromethyl-pyridine carboxylic acid Zn(ii) complexes: isomeric effects on coordination and biological activity","New Journal of Chemistry","2024","48","10","4558","4564","10.1039/D4NJ00236A","","","0.71073","MoKα","","0.1409","0.075","","","0.1528","0.175","","","","","","1.038","","","","has coordinates","290225","2024-03-04","20:33:22",""
"7063010","12.006","0.0005","9.9453","0.0004","7.2624","0.0003","90","","106.908","0.0012","90","","829.67","0.06","273","2","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 F6 N2 O6 Zn -","- C14 H10 F6 N2 O6 Zn -","- C28 H20 F12 N4 O12 Zn2 -","2","0.5","","Zhu, Xiaoshuang; Yang, Yanhong; Li, Bing; Liang, Jiawei; Fu, Shoufeng; Wu, Hongyan; He, Jiaxing; Chen, Xiaoyan","Trifluoromethyl-pyridine carboxylic acid Zn(ii) complexes: isomeric effects on coordination and biological activity","New Journal of Chemistry","2024","48","10","4558","4564","10.1039/D4NJ00236A","","","0.71073","MoKα","","0.034","0.0309","","","0.0842","0.0863","","","","","","1.076","","","","has coordinates","290225","2024-03-04","20:33:22",""
"7063011","15.909","0.0014","17.5486","0.0017","15.8848","0.0016","90","","90.557","0.006","90","","4434.5","0.7","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 F6 P Rh -","- C22 H28 F6 P Rh -","- C176 H224 F48 P8 Rh8 -","8","2","","Petrushina, Tatiana N.; Nelyubina, Yulia V.; Perekalin, Dmitry S.; Shvydkiy, Nikita V.","Catalytic activity of cyclobutadiene rhodium complexes in hydrosilylation and other transformations of alkynes","New Journal of Chemistry","2024","48","9","3952","3956","10.1039/D3NJ05426H","","","0.71073","MoKα","","0.0978","0.084","","","0.2455","0.2683","","","","","","1.038","","","","has coordinates,has disorder","290247","2024-03-04","20:38:07",""
"7063012","10.7322","0.0002","26.2556","0.0005","14.7421","0.0003","90","","96.035","0.001","90","","4131.01","0.14","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 B F4 P2 Rh -","- C48 H50 B F4 P2 Rh -","- C192 H200 B4 F16 P8 Rh4 -","4","1","","Petrushina, Tatiana N.; Nelyubina, Yulia V.; Perekalin, Dmitry S.; Shvydkiy, Nikita V.","Catalytic activity of cyclobutadiene rhodium complexes in hydrosilylation and other transformations of alkynes","New Journal of Chemistry","2024","48","9","3952","3956","10.1039/D3NJ05426H","","","0.71073","MoKα","","0.0742","0.0428","","","0.0762","0.0884","","","","","","1.047","","","","has coordinates","290247","2024-03-04","20:38:08",""
"7063013","12.4293","0.0003","13.9253","0.0003","14.0492","0.0003","115.043","0.001","99.343","0.001","95.003","0.001","2140.51","0.09","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H35 Br4 Cl2 N11 O6 Zn -","- C33 H33 Br4 Cl2 N11 O6 Zn -","- C66 H66 Br8 Cl4 N22 O12 Zn2 -","2","1","","Santu, Ansa; Hashim, K. K. Mohammed; Manoj, E.","An all-rounder aminoguanidine based ligand, its unusual anionic zinc(ii) and cadmium(ii) coordination complexes and their biological implications","New Journal of Chemistry","2024","48","10","4496","4506","10.1039/D4NJ00446A","","","1.54178","CuKα","","0.1142","0.051","","","0.1046","0.125","","","","","","1.065","","","","has coordinates","290250","2024-03-04","20:38:58",""
"7063014","12.3459","0.0007","14.1549","0.0009","14.4164","0.0009","116.555","0.002","99.07","0.002","94.806","0.002","2191.2","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H35 Br4 Cd Cl2 N11 O6 -","- C33 H33 Br4 Cd Cl2 N11 O6 -","- C66 H66 Br8 Cd2 Cl4 N22 O12 -","2","1","","Santu, Ansa; Hashim, K. K. Mohammed; Manoj, E.","An all-rounder aminoguanidine based ligand, its unusual anionic zinc(ii) and cadmium(ii) coordination complexes and their biological implications","New Journal of Chemistry","2024","48","10","4496","4506","10.1039/D4NJ00446A","","","0.71073","MoKα","","0.07","0.0424","","","0.099","0.1182","","","","","","1.084","","","","has coordinates","290250","2024-03-04","20:38:58",""
"7063015","5.2253","0.0002","9.716","0.0003","33.2617","0.001","88.759","0.002","87.229","0.002","77.614","0.003","1647.32","0.1","180","0.1","180","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C36 H57 N O2 -","- C36 H57 N O2 -","- C72 H114 N2 O4 -","2","1","","Hu, Jing; Yu, Haifeng","Photoinduced solid-to-liquid transition of an N-benzylideneaniline derivative towards smart glass","New Journal of Chemistry","2024","48","11","4690","4698","10.1039/D4NJ00307A","","x-ray","0.71073","MoKα","","0.0692","0.0496","","","0.1369","0.1472","","","","","","1.054","","","","has coordinates","291027","2024-04-05","00:05:48",""
"7063016","11.3596","0.0005","16.6853","0.0008","17.5651","0.0007","110.72","0.004","98.14","0.003","91.539","0.004","3071.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 N10 O2 Zn2 -","- C34 H26 N10 O2 Zn2 -","- C136 H104 N40 O8 Zn8 -","4","2","","Saren, Dama; Zangrando, Ennio; Puschmann, Horst; Manna, Subal Chandra","Tridentate chelating ligand based fluorescent Zn(ii) coordination compounds for highly selective detection of picric acid","New Journal of Chemistry","2024","48","11","4821","4830","10.1039/D3NJ05089K","","","0.71073","MoKα","","0.0581","0.0403","","","0.0853","0.0933","","","","","","1.029","","","","has coordinates","291025","2024-04-05","00:05:34",""
"7063017","7.4732","0.0002","23.9503","0.0007","10.1559","0.0003","90","","106.216","0.003","90","","1745.44","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H30 N10 O3 Zn2 -","- C39 H30 N10 O3 Zn2 -","- C78 H60 N20 O6 Zn4 -","2","0.5","","Saren, Dama; Zangrando, Ennio; Puschmann, Horst; Manna, Subal Chandra","Tridentate chelating ligand based fluorescent Zn(ii) coordination compounds for highly selective detection of picric acid","New Journal of Chemistry","2024","48","11","4821","4830","10.1039/D3NJ05089K","","","0.71073","MoKα","","0.0383","0.0295","","","0.0739","0.079","","","","","","1.039","","","","has coordinates,has disorder","291025","2024-04-05","00:05:34",""
"7063018","7.6981","0.0003","57.5833","0.0019","6.6814","0.0002","90","","91.615","0.001","90","","2960.57","0.18","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H40 Fe P Sb -","- C34 H40 Fe P Sb -","- C136 H160 Fe4 P4 Sb4 -","4","1","","Antala, Jakub; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr","Synthesis, reactivity and coordination behaviour of a ferrocene phosphinostibine and intramolecular interactions in its P(v) and Sb(v) derivatives","New Journal of Chemistry","2024","48","12","5107","5119","10.1039/D4NJ00349G","","","0.71073","MoKα","","0.0206","0.0188","","","0.0384","0.0387","","","","","","1.061","","","","has coordinates","291034","2024-04-05","00:07:19",""
"7063019","7.5644","0.0003","13.3295","0.0005","15.4143","0.0006","100.986","0.001","90.313","0.001","92.652","0.001","1523.94","0.1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H43 B Fe P Sb -","- C34 H43 B Fe P Sb -","- C68 H86 B2 Fe2 P2 Sb2 -","2","1","","Antala, Jakub; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr","Synthesis, reactivity and coordination behaviour of a ferrocene phosphinostibine and intramolecular interactions in its P(v) and Sb(v) derivatives","New Journal of Chemistry","2024","48","12","5107","5119","10.1039/D4NJ00349G","","","0.71073","MoKα","","0.0444","0.031","","","0.0694","0.0746","","","","","","1.024","","","","has coordinates","291034","2024-04-05","00:07:19",""
"7063020","11.8075","0.0005","12.1508","0.0005","12.4622","0.0005","85.141","0.002","67.956","0.001","77.234","0.001","1616.28","0.12","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H40 Cl2 Fe P S Sb -","- C34 H40 Cl2 Fe P S Sb -","- C68 H80 Cl4 Fe2 P2 S2 Sb2 -","2","1","","Antala, Jakub; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr","Synthesis, reactivity and coordination behaviour of a ferrocene phosphinostibine and intramolecular interactions in its P(v) and Sb(v) derivatives","New Journal of Chemistry","2024","48","12","5107","5119","10.1039/D4NJ00349G","","","0.71073","MoKα","","0.0199","0.0193","","","0.0509","0.0514","","","","","","1.05","","","","has coordinates,has disorder","291034","2024-04-05","00:07:19",""
"7063021","9.1763","0.0004","14.832","0.0006","24.8388","0.001","97.404","0.002","93.523","0.002","90.02","0.002","3346","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H40 Au Cl3 Fe P Sb -","- C34 H40 Au Cl3 Fe P Sb -","- C136 H160 Au4 Cl12 Fe4 P4 Sb4 -","4","2","","Antala, Jakub; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr","Synthesis, reactivity and coordination behaviour of a ferrocene phosphinostibine and intramolecular interactions in its P(v) and Sb(v) derivatives","New Journal of Chemistry","2024","48","12","5107","5119","10.1039/D4NJ00349G","","","0.71073","MoKα","","0.0437","0.0392","","","0.0746","0.076","","","","","","1.207","","","","has coordinates,has disorder","291034","2024-04-05","00:07:19",""
"7063022","14.2751","0.0006","12.0458","0.0005","17.7478","0.0008","90","","96.424","0.001","90","","3032.7","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 Fe P S Sb -","- C34 H40 Fe P S Sb -","- C136 H160 Fe4 P4 S4 Sb4 -","4","1","","Antala, Jakub; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr","Synthesis, reactivity and coordination behaviour of a ferrocene phosphinostibine and intramolecular interactions in its P(v) and Sb(v) derivatives","New Journal of Chemistry","2024","48","12","5107","5119","10.1039/D4NJ00349G","","","0.71073","MoKα","","0.0179","0.0176","","","0.0439","0.0441","","","","","","1.076","","","","has coordinates","291034","2024-04-05","00:07:19",""
"7063023","9.9527","0.0003","11.5385","0.0003","14.5599","0.0004","76.936","0.001","73.609","0.001","68.547","0.001","1478.76","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H40 Fe O P Sb -","- C34 H40 Fe O P Sb -","- C68 H80 Fe2 O2 P2 Sb2 -","2","1","","Antala, Jakub; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr","Synthesis, reactivity and coordination behaviour of a ferrocene phosphinostibine and intramolecular interactions in its P(v) and Sb(v) derivatives","New Journal of Chemistry","2024","48","12","5107","5119","10.1039/D4NJ00349G","","","0.71073","MoKα","","0.0188","0.018","","","0.0439","0.0443","","","","","","1.099","","","","has coordinates","291034","2024-04-05","00:07:19",""
"7063024","11.7235","0.0004","12.4171","0.0004","12.5216","0.0004","85.495","0.001","67.566","0.001","78.088","0.001","1648.56","0.09","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H43 B Cl2 Fe P Sb -","- C34 H43 B Cl2 Fe P Sb -","- C68 H86 B2 Cl4 Fe2 P2 Sb2 -","2","1","","Antala, Jakub; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr","Synthesis, reactivity and coordination behaviour of a ferrocene phosphinostibine and intramolecular interactions in its P(v) and Sb(v) derivatives","New Journal of Chemistry","2024","48","12","5107","5119","10.1039/D4NJ00349G","","","0.71073","MoKα","","0.0179","0.0174","","","0.0441","0.0444","","","","","","1.045","","","","has coordinates","291034","2024-04-05","00:07:19",""
"7063025","13.8052","0.0003","14.1907","0.0003","18.1418","0.0004","90","","102.83","0.001","90","","3465.34","0.13","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 Au2 Cl2 Fe P Sb -","- C34 H40 Au2 Cl2 Fe P Sb -","- C136 H160 Au8 Cl8 Fe4 P4 Sb4 -","4","1","","Antala, Jakub; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr","Synthesis, reactivity and coordination behaviour of a ferrocene phosphinostibine and intramolecular interactions in its P(v) and Sb(v) derivatives","New Journal of Chemistry","2024","48","12","5107","5119","10.1039/D4NJ00349G","","","0.71073","MoKα","","0.0135","0.0126","","","0.0267","0.0271","","","","","","1.074","","","","has coordinates","291034","2024-04-05","00:07:19",""
"7063026","26.5835","0.001","9.6286","0.0003","33.6668","0.0013","90","","93.956","0.001","90","","8596.9","0.5","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H54 Cl4 Fe O2 P Sb -","- C46 H54 Cl4 Fe O2 P Sb -","- C368 H432 Cl32 Fe8 O16 P8 Sb8 -","8","2","","Antala, Jakub; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr","Synthesis, reactivity and coordination behaviour of a ferrocene phosphinostibine and intramolecular interactions in its P(v) and Sb(v) derivatives","New Journal of Chemistry","2024","48","12","5107","5119","10.1039/D4NJ00349G","","","0.71073","MoKα","","0.0499","0.0448","","","0.103","0.1057","","","","","","1.135","","","","has coordinates,has disorder","291034","2024-04-05","00:07:19",""
"7063027","11.315","0.0004","15.3071","0.0007","28.3613","0.0011","90","","97.502","0.001","90","","4870.1","0.3","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H58 Cl3 F6 Fe P2 Ru Sb -","- C44 H54 Cl F6 Fe P2 Ru Sb -","- C176 H216 Cl4 F24 Fe4 P8 Ru4 Sb4 -","4","1","","Antala, Jakub; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr","Synthesis, reactivity and coordination behaviour of a ferrocene phosphinostibine and intramolecular interactions in its P(v) and Sb(v) derivatives","New Journal of Chemistry","2024","48","12","5107","5119","10.1039/D4NJ00349G","","","0.71073","MoKα","","0.0342","0.0288","","","0.0644","0.0676","","","","","","1.03","","","","has coordinates","291034","2024-04-05","00:07:19",""
"7063028","9.76","0.0005","14.2166","0.0007","15.6102","0.0008","106.166","0.002","91.615","0.002","109.122","0.002","1948.46","0.17","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H43 B Cl4 Fe O2 P Sb -","- C40 H43 B Cl4 Fe O2 P Sb -","- C80 H86 B2 Cl8 Fe2 O4 P2 Sb2 -","2","1","","Antala, Jakub; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr","Synthesis, reactivity and coordination behaviour of a ferrocene phosphinostibine and intramolecular interactions in its P(v) and Sb(v) derivatives","New Journal of Chemistry","2024","48","12","5107","5119","10.1039/D4NJ00349G","","","0.71073","MoKα","","0.0197","0.0186","","","0.0478","0.0486","","","","","","1.043","","","","has coordinates","291034","2024-04-05","00:07:19",""
"7063029","9.6737","0.0003","14.1012","0.0004","15.5761","0.0005","106.502","0.001","91.723","0.001","108.829","0.001","1910.78","0.1","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H40 Cl4 Fe O2 P S Sb -","- C40 H40 Cl4 Fe O2 P S Sb -","- C80 H80 Cl8 Fe2 O4 P2 S2 Sb2 -","2","1","","Antala, Jakub; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr","Synthesis, reactivity and coordination behaviour of a ferrocene phosphinostibine and intramolecular interactions in its P(v) and Sb(v) derivatives","New Journal of Chemistry","2024","48","12","5107","5119","10.1039/D4NJ00349G","","","0.71073","MoKα","","0.0295","0.022","","","0.0484","0.051","","","","","","1.027","","","","has coordinates","291034","2024-04-05","00:07:19",""
"7063030","11.1232","0.0005","20.3402","0.0009","15.393","0.0006","90","","93.547","0.001","90","","3476","0.3","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H42 Cl4 Fe P Pt Sb -","- C35 H42 Cl4 Fe P Pt Sb -","- C140 H168 Cl16 Fe4 P4 Pt4 Sb4 -","4","1","","Antala, Jakub; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr","Synthesis, reactivity and coordination behaviour of a ferrocene phosphinostibine and intramolecular interactions in its P(v) and Sb(v) derivatives","New Journal of Chemistry","2024","48","12","5107","5119","10.1039/D4NJ00349G","","","0.71073","MoKα","","0.013","0.0123","","","0.0284","0.0287","","","","","","1.07","","","","has coordinates","291034","2024-04-05","00:07:19",""
"7063031","10.1237","0.0003","17.2579","0.0006","21.6499","0.0008","90","","102.645","0.001","90","","3690.8","0.2","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35.5 H43 Cl5 Fe P Pd Sb -","- C35.5 H43 Cl5 Fe P Pd Sb -","- C142 H172 Cl20 Fe4 P4 Pd4 Sb4 -","4","1","","Antala, Jakub; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr","Synthesis, reactivity and coordination behaviour of a ferrocene phosphinostibine and intramolecular interactions in its P(v) and Sb(v) derivatives","New Journal of Chemistry","2024","48","12","5107","5119","10.1039/D4NJ00349G","","","0.71073","MoKα","","0.0235","0.021","","","0.0443","0.0457","","","","","","1.044","","","","has coordinates","291034","2024-04-05","00:07:19",""
"7063032","11.6734","0.0005","18.3247","0.0007","27.4302","0.0012","90","","100.167","0.001","90","","5775.5","0.4","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H59 Cl14 Fe P Rh Sb -","- C48 H59 Cl14 Fe P Rh Sb -","- C192 H236 Cl56 Fe4 P4 Rh4 Sb4 -","4","1","","Antala, Jakub; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr","Synthesis, reactivity and coordination behaviour of a ferrocene phosphinostibine and intramolecular interactions in its P(v) and Sb(v) derivatives","New Journal of Chemistry","2024","48","12","5107","5119","10.1039/D4NJ00349G","","","0.71073","MoKα","","0.0288","0.0278","","","0.0614","0.0621","","","","","","1.067","","","","has coordinates","291034","2024-04-05","00:07:19",""
"7063033","15.7678","0.0004","12.6028","0.0003","36.9898","0.001","90","","90.132","0.001","90","","7350.5","0.3","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H40 Cl4 Fe O3 P Sb -","- C40 H40 Cl4 Fe O3 P Sb -","- C320 H320 Cl32 Fe8 O24 P8 Sb8 -","8","2","","Antala, Jakub; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr","Synthesis, reactivity and coordination behaviour of a ferrocene phosphinostibine and intramolecular interactions in its P(v) and Sb(v) derivatives","New Journal of Chemistry","2024","48","12","5107","5119","10.1039/D4NJ00349G","","","0.71073","MoKα","","0.0386","0.0326","","","0.0676","0.0699","","","","","","1.089","","","","has coordinates,has disorder","291034","2024-04-05","00:07:19",""
"7063034","11.8312","0.0005","12.9337","0.0005","30.5249","0.001","90","","97.824","0.001","90","","4627.5","0.3","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H59 Cl3 F6 Fe P2 Rh Sb -","- C46 H59 Cl3 F6 Fe P2 Rh Sb -","- C184 H236 Cl12 F24 Fe4 P8 Rh4 Sb4 -","4","1","","Antala, Jakub; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr","Synthesis, reactivity and coordination behaviour of a ferrocene phosphinostibine and intramolecular interactions in its P(v) and Sb(v) derivatives","New Journal of Chemistry","2024","48","12","5107","5119","10.1039/D4NJ00349G","","","0.71073","MoKα","","0.021","0.0206","","","0.0471","0.0474","","","","","","1.089","","","","has coordinates,has disorder","291034","2024-04-05","00:07:19",""
"7063035","8.2507","0.0003","14.9183","0.0005","16.3974","0.0006","91.155","0.002","94.457","0.002","92.624","0.002","2009.51","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","F5-BsubNc","","- C42 H18 B F5 N6 O -","- C42 H18 B F5 N6 O -","- C84 H36 B2 F10 N12 O2 -","2","1","","Holst, Devon P.; Dovijarski, Aleksa; Lough, Alan J.; Bender, Timothy P.","Triphenyl borates used to avoid the bay-position halogenation of boron subnaphthalocyanines; and for the subnaphthalocyanine, subphthalocyanine and hybrids formation","New Journal of Chemistry","2024","48","12","5127","5143","10.1039/D4NJ00115J","","","1.54178","CuKα","","0.0958","0.0769","","","0.2147","0.2292","","","","","","1.074","","","","has coordinates","291037","2024-04-05","00:07:54",""
"7063036","13.385","0.0007","17.9218","0.001","13.9875","0.0008","90","","114.647","0.003","90","","3049.7","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H42 Cl2 N2 O5 -","- C30 H42 Cl2 N2 O5 -","- C120 H168 Cl8 N8 O20 -","4","2","","Khan, Umair Ahmed; Choudhary, M. Iqbal; Yousuf, Sammer","Synthesis of halogenated benzimidazolyl-C-nucleosides and their activity against Leishmania major and Leishmania tropica","New Journal of Chemistry","2024","48","13","5605","5612","10.1039/D4NJ00035H","","","1.54178","CuKα","","0.1387","0.0678","","","0.1272","0.1547","","","","","","0.975","","","","has coordinates","295862","2024-11-09","12:08:11",""
"7063037","10.0713","0.0012","17.542","0.002","12.5246","0.0015","90","","106.352","0.007","90","","2123.2","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","GALF2","GALF","","- C19 H22 Cl2 F2 N2 O5 -","- C19 H22 Cl2 F2 N2 O5 -","- C76 H88 Cl8 F8 N8 O20 -","4","2","","Khan, Umair Ahmed; Choudhary, M. Iqbal; Yousuf, Sammer","Synthesis of halogenated benzimidazolyl-C-nucleosides and their activity against Leishmania major and Leishmania tropica","New Journal of Chemistry","2024","48","13","5605","5612","10.1039/D4NJ00035H","","","1.54178","CuKα","","0.1147","0.0825","","","0.1923","0.2122","","","","","","1.053","","","","has coordinates","291013","2024-04-05","00:03:25",""
"7063038","9.9303","0.0007","17.9109","0.0012","10.1057","0.0007","90","","94.298","0.004","90","","1792.4","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 N2 O5 -","- C18 H22 N2 O5 -","- C72 H88 N8 O20 -","4","2","","Khan, Umair Ahmed; Choudhary, M. Iqbal; Yousuf, Sammer","Synthesis of halogenated benzimidazolyl-C-nucleosides and their activity against Leishmania major and Leishmania tropica","New Journal of Chemistry","2024","48","13","5605","5612","10.1039/D4NJ00035H","","","1.54178","CuKα","","0.0443","0.0374","","","0.0858","0.0899","","","","","","1.064","","","","has coordinates","295862","2024-11-09","12:08:11",""
"7063039","15.5001","0.0005","18.3458","0.0006","19.5228","0.0006","90","","90","","90","","5551.5","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 Br2 N2 O5 -","- C24 H28 Br2 N2 O5 -","- C192 H224 Br16 N16 O40 -","8","2","","Khan, Umair Ahmed; Choudhary, M. Iqbal; Yousuf, Sammer","Synthesis of halogenated benzimidazolyl-C-nucleosides and their activity against Leishmania major and Leishmania tropica","New Journal of Chemistry","2024","48","13","5605","5612","10.1039/D4NJ00035H","","","1.54178","CuKα","","0.0664","0.0525","","","0.0942","0.0989","","","","","","1.03","","","","has coordinates","295862","2024-11-09","12:08:11",""
"7063040","7.7669","0.0001","12.944","0.0002","14.0381","0.0001","79.614","0.001","83.153","0.001","73.862","0.001","1329.92","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C27.8 H34.2 Cl1.1 N3.9 O3.9 -","- C27.8 H34.2 Cl1.1 N3.9 O3.9 -","- C55.6 H68.4 Cl2.2 N7.8 O7.8 -","2","1","","Alaranta, Johanna M.; Valkonen, Arto M.; Shroff, Sailee S.; Marjomäki, Varpu S.; Rissanen, Kari; Lahtinen, Tanja M.","Modifying the terminal phenyl group of monomethine cyanine dyes as a pathway to brighter nucleic acid probes","New Journal of Chemistry","2024","48","11","4931","4935","10.1039/D3NJ05400D","","","1.54184","CuKα","","0.0438","0.0412","","","0.1145","0.1163","","","","","","1.041","","","","has coordinates,has disorder","291026","2024-04-05","00:05:42",""
"7063041","9.21834","0.00004","21.85441","0.0001","24.63787","0.00009","90","","94.2872","0.0003","90","","4949.69","0.04","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55.3 H55.95 Cl1.6 I0.4 N6.65 O5 -","- C55.3 H55.95 Cl1.6 I0.4 N6.65 O5 -","- C221.2 H223.8 Cl6.4 I1.6 N26.6 O20 -","4","1","","Alaranta, Johanna M.; Valkonen, Arto M.; Shroff, Sailee S.; Marjomäki, Varpu S.; Rissanen, Kari; Lahtinen, Tanja M.","Modifying the terminal phenyl group of monomethine cyanine dyes as a pathway to brighter nucleic acid probes","New Journal of Chemistry","2024","48","11","4931","4935","10.1039/D3NJ05400D","","","1.54184","CuKα","","0.0582","0.0567","","","0.1417","0.1426","","","","","","1.09","","","","has coordinates,has disorder","291026","2024-04-05","00:05:42",""
"7063042","8.715","0.0008","10.4907","0.0008","12.3492","0.0006","92.135","0.005","101.797","0.006","108.263","0.007","1043.27","0.14","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 F N2 O6 -","- C24 H17 F N2 O6 -","- C48 H34 F2 N4 O12 -","2","1","","Zhang, Wen-Hui; Zhang, Bo; Pan, Bo-Wen; Liu, Xiong-Wei; Yin, Zhi-Gang; Zhuo, Yu-Zhou; Lei, Chuan-wen; Zhou, Ying","Design, synthesis, and evaluation of 1,4-naphthoquinone-chromene hybrids as potential anti-K562 and A549 agents","New Journal of Chemistry","2024","48","12","5334","5345","10.1039/D3NJ05743G","","x-ray","1.54184","CuKα","","0.0422","0.04","","","0.1075","0.1098","","","","","","1.013","","","","has coordinates","291035","2024-04-05","00:07:26",""
"7063043","10.2752","0.0009","11.7931","0.0014","12.4578","0.0013","80.037","0.009","76.494","0.008","89.59","0.009","1444.8","0.3","150.15","","150.15","","","","","","","","","5","P -1","-P 1","2","","3-PYRROLYL BODIPY-BODIPY DYAD","","- C35 H25 B2 F4 N5 -","- C35 H25 B2 F4 N5 -","- C70 H50 B4 F8 N10 -","2","1","","Sarkar, Abani; Behera, Kanhu Charan; Tumsare, Ankit; Ravikanth, Mangalampalli","Synthesis and properties of covalently linked phenyl bridged 3-pyrrolyl BODIPY–BODIPY dyads","New Journal of Chemistry","2024","48","12","5362","5371","10.1039/D4NJ00644E","","","0.71073","MoKα","","0.0689","0.05","","","0.1192","0.1338","","","","","","1.0601","","","","has coordinates","291036","2024-04-05","00:07:47",""
"7063044","15.106","0.004","4.9258","0.0012","16.52","0.004","90","","99.557","0.012","90","","1212.2","0.5","193","","193","","","","","","","","room temperture","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N4 S -","- C12 H14 N4 S -","- C48 H56 N16 S4 -","4","1","","Cao, Ying; Che, Yuanyuan; Liu, Lang; Tang, Yakun; Yu, Yuming","Solid-state photochromic properties of indole thiosemicarbazones with aggregation-induced emission","New Journal of Chemistry","2024","48","11","4726","4734","10.1039/D3NJ05828J","","","1.34139","GaKα","","0.06","0.0452","","","0.1216","0.1321","","","","","","1.134","","","","has coordinates","291030","2024-04-05","00:06:19",""
"7063045","18.6622","0.001","10.6493","0.0005","17.3555","0.0009","90","","95.402","0.002","90","","3433.9","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","dg245","","","- C36 H53 N2 O2 Sb -","- C36 H53 N2 O2 Sb -","- C144 H212 N8 O8 Sb4 -","4","0.5","","Duneş, Gabriel; Silvestru, Cristian","NCN-pincer organopnictogen(iii) bis(aryloxides)","New Journal of Chemistry","2024","48","12","5523","5529","10.1039/D3NJ05840A","","","0.71073","MoKα","","0.0252","0.0202","","","0.0437","0.046","","","","","","1.052","","","","has coordinates","291032","2024-04-05","00:06:33",""
"7063046","14.678","0.0009","22.2864","0.0013","9.5439","0.0006","90","","117.719","0.002","90","","2763.7","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","dg243","","","- C28 H37 Bi N2 O6 -","- C28 H37 Bi N2 O6 -","- C112 H148 Bi4 N8 O24 -","4","0.5","","Duneş, Gabriel; Silvestru, Cristian","NCN-pincer organopnictogen(iii) bis(aryloxides)","New Journal of Chemistry","2024","48","12","5523","5529","10.1039/D3NJ05840A","","","0.71073","MoKα","","0.0131","0.0121","","","0.0323","0.0325","","","","","","1.14","","","","has coordinates","291032","2024-04-05","00:06:33",""
"7063047","8.14","0.005","14.632","0.01","19.569","0.011","85.11","0.04","85.25","0.02","74.26","0.02","2231","2","145","2","144.97","","","","","","","","","8","P -1","-P 1","2","","","","- C28 H33 Br3 Cl2 Cu3 N9 O14 S3 -","- C27 H29 Br3 Cl2 Cu3 N9 O13 S3 -","- C54 H58 Br6 Cl4 Cu6 N18 O26 S6 -","2","1","","Mandal, Naba Kr; Nandi, Sudeshna; Benmansour, Samia; Gómez-García, Carlos J.; Acharya, Krishnendu; Naskar, Jnan Prakash","Design, synthesis and structure of a trinuclear copper(ii) complex having a Cu3OH core with regard to aspects of antiproliferative activity and magnetic properties","New Journal of Chemistry","2024","48","13","5782","5796","10.1039/D3NJ04859D","","","0.71073","MoKα","","0.0771","0.0494","","","0.1176","0.1372","","","","","","1.0791","","","","has coordinates","291012","2024-04-05","00:03:03",""
"7063048","11.2472","0.0005","11.667","0.0006","20.8033","0.0006","99.053","0.003","99.487","0.003","97.943","0.004","2620.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26.5 H25 F3 N4 O2 Pd -","- C26.5 H25 F3 N4 O2 Pd -","- C106 H100 F12 N16 O8 Pd4 -","4","2","","Sinha, Nitish Kumar; Khan, Hilal Ahmad; Sivasankar, Chinnappan; Thirupathi, Natesan","Guanidine-centred reactivity of CNN Pd(ii) pincer complexes including carboxylate-assisted N–H activation and –CH2– → –C(O)– oxygenation","New Journal of Chemistry","2024","48","13","5710","5720","10.1039/D3NJ05516G","","","0.71073","MoKα","","0.0961","0.0782","","","0.2076","0.2199","","","","","","1.053","","","","has coordinates,has disorder","291014","2024-04-05","00:03:53",""
"7063049","8.4101","0.0005","11.9592","0.0003","14.4653","0.0003","82.43","0.002","74.423","0.004","72.257","0.004","1332.82","0.1","204","60","204","60","","","","","","","","6","P -1","-P 1","2","","","","- C30 H21 F6 N5 O Pd -","- C30 H21 F6 N5 O Pd -","- C60 H42 F12 N10 O2 Pd2 -","2","1","","Sinha, Nitish Kumar; Khan, Hilal Ahmad; Sivasankar, Chinnappan; Thirupathi, Natesan","Guanidine-centred reactivity of CNN Pd(ii) pincer complexes including carboxylate-assisted N–H activation and –CH2– → –C(O)– oxygenation","New Journal of Chemistry","2024","48","13","5710","5720","10.1039/D3NJ05516G","","x-ray","0.71073","MoKα","","0.0498","0.0417","","","0.0946","0.0995","","","","","","0.992","","","","has coordinates","291014","2024-04-05","00:03:53",""
"7063050","13.8775","0.0005","22.4973","0.0009","16.1759","0.0006","90","","96.334","0.004","90","","5019.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 F9 N4 O2 Pd -","- C23 H15 F9 N4 O2 Pd -","- C184 H120 F72 N32 O16 Pd8 -","8","2","","Sinha, Nitish Kumar; Khan, Hilal Ahmad; Sivasankar, Chinnappan; Thirupathi, Natesan","Guanidine-centred reactivity of CNN Pd(ii) pincer complexes including carboxylate-assisted N–H activation and –CH2– → –C(O)– oxygenation","New Journal of Chemistry","2024","48","13","5710","5720","10.1039/D3NJ05516G","","","0.71073","MoKα","","0.0658","0.0501","","","0.1029","0.1126","","","","","","1.036","","","","has coordinates,has disorder","291014","2024-04-05","00:03:54",""
"7063051","11.8433","0.0003","18.0831","0.0005","29.6288","0.0009","90","","90.847","0.002","90","","6344.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38.5 N4 O3 Pd -","- C28.5 H34.5 N4 O3 Pd -","- C228 H276 N32 O24 Pd8 -","8","2","","Sinha, Nitish Kumar; Khan, Hilal Ahmad; Sivasankar, Chinnappan; Thirupathi, Natesan","Guanidine-centred reactivity of CNN Pd(ii) pincer complexes including carboxylate-assisted N–H activation and –CH2– → –C(O)– oxygenation","New Journal of Chemistry","2024","48","13","5710","5720","10.1039/D3NJ05516G","","","0.71073","MoKα","","0.0784","0.0555","","","0.1099","0.1204","","","","","","1.018","","","","has coordinates,has disorder","291014","2024-04-05","00:03:54",""
"7063052","7.3937","0.0003","13.2167","0.0004","13.23","0.0005","89.666","0.003","78.792","0.003","87.117","0.003","1266.57","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H27 N5 O Pd -","- C30 H27 N5 O Pd -","- C60 H54 N10 O2 Pd2 -","2","1","","Sinha, Nitish Kumar; Khan, Hilal Ahmad; Sivasankar, Chinnappan; Thirupathi, Natesan","Guanidine-centred reactivity of CNN Pd(ii) pincer complexes including carboxylate-assisted N–H activation and –CH2– → –C(O)– oxygenation","New Journal of Chemistry","2024","48","13","5710","5720","10.1039/D3NJ05516G","","","0.71073","MoKα","","0.0582","0.0508","","","0.1539","0.1589","","","","","","1.069","","","","has coordinates","291014","2024-04-05","00:03:54",""
"7063053","8.227","0.0003","26.1341","0.0007","15.2245","0.0004","90","","98.085","0.003","90","","3240.81","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 F9 N5 O2 Pd -","- C32 H24 F9 N5 O2 Pd -","- C128 H96 F36 N20 O8 Pd4 -","4","1","","Sinha, Nitish Kumar; Khan, Hilal Ahmad; Sivasankar, Chinnappan; Thirupathi, Natesan","Guanidine-centred reactivity of CNN Pd(ii) pincer complexes including carboxylate-assisted N–H activation and –CH2– → –C(O)– oxygenation","New Journal of Chemistry","2024","48","13","5710","5720","10.1039/D3NJ05516G","","","0.71073","MoKα","","0.1266","0.1133","","","0.3111","0.3366","","","","","","1.369","","","","has coordinates,has disorder","291014","2024-04-05","00:03:54",""
"7063054","10.8143","0.0003","14.5146","0.0003","14.54","0.0004","94.143","0.002","109.681","0.002","90.228","0.002","2142.36","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H44 F3 N4 O2 P Pd -","- C48 H44 F3 N4 O2 P Pd -","- C96 H88 F6 N8 O4 P2 Pd2 -","2","1","","Sinha, Nitish Kumar; Khan, Hilal Ahmad; Sivasankar, Chinnappan; Thirupathi, Natesan","Guanidine-centred reactivity of CNN Pd(ii) pincer complexes including carboxylate-assisted N–H activation and –CH2– → –C(O)– oxygenation","New Journal of Chemistry","2024","48","13","5710","5720","10.1039/D3NJ05516G","","x-ray","0.71073","MoKα","","0.0644","0.0502","","","0.1378","0.1481","","","","","","1.067","","","","has coordinates","291014","2024-04-05","00:03:54",""
"7063055","14.2253","0.0003","19.3693","0.0003","17.411","0.0003","90","","93.317","0.002","90","","4789.29","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 F6 N4 O2 Pd -","- C23 H18 F6 N4 O2 Pd -","- C184 H144 F48 N32 O16 Pd8 -","8","2","","Sinha, Nitish Kumar; Khan, Hilal Ahmad; Sivasankar, Chinnappan; Thirupathi, Natesan","Guanidine-centred reactivity of CNN Pd(ii) pincer complexes including carboxylate-assisted N–H activation and –CH2– → –C(O)– oxygenation","New Journal of Chemistry","2024","48","13","5710","5720","10.1039/D3NJ05516G","","","0.71073","MoKα","","0.0801","0.0492","","","0.1001","0.1146","","","","","","1.022","","","","has coordinates","295677","2024-10-30","18:34:33",""
"7063056","8.7513","0.0002","12.4438","0.0003","14.6041","0.0004","92.799","0.002","96.175","0.002","100.159","0.002","1552.62","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33.5 H27 F6 N5 Pd -","- C33.5 H27 F6 N5 Pd -","- C67 H54 F12 N10 Pd2 -","2","1","","Sinha, Nitish Kumar; Khan, Hilal Ahmad; Sivasankar, Chinnappan; Thirupathi, Natesan","Guanidine-centred reactivity of CNN Pd(ii) pincer complexes including carboxylate-assisted N–H activation and –CH2– → –C(O)– oxygenation","New Journal of Chemistry","2024","48","13","5710","5720","10.1039/D3NJ05516G","","","0.71073","MoKα","","0.0342","0.0294","","","0.0715","0.0744","","","","","","1.0387","","","","has coordinates,has disorder","291014","2024-04-05","00:03:54",""
"7063057","14.6133","0.0011","19.1979","0.0013","26.659","0.002","90","","90","","90","","7479","0.9","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H23 F N2 O3 -","- C18 H23 F N2 O3 -","- C288 H368 F16 N32 O48 -","16","2","","Rippel, Rafael; Leitão, Flávia; Georgieva, Miglena K.; Mamede, Rafael; Gomes, Clara S. B.; Roma-Rodrigues, Catarina; Fernandes, Alexandra R.; Lourenço, Ana; Ferreira, Luísa M.; Branco, Paula S.","Exploring the synthesis of aminal guanidine-based molecules: synthesis of cernumidine and analogues, and survey of its anti-inflammatory activity","New Journal of Chemistry","2024","48","12","5247","5257","10.1039/D3NJ05406C","","x-ray","0.71073","MoKα","","0.1691","0.0916","","","0.228","0.2585","","","","","","1.066","","","","has coordinates","291033","2024-04-05","00:06:48",""
"7063058","5.0552","0.0003","9.2248","0.0005","25.6961","0.0013","90","","90.499","0.003","90","","1198.25","0.11","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C60 H56 N8 O4 -","4","2","","Rippel, Rafael; Leitão, Flávia; Georgieva, Miglena K.; Mamede, Rafael; Gomes, Clara S. B.; Roma-Rodrigues, Catarina; Fernandes, Alexandra R.; Lourenço, Ana; Ferreira, Luísa M.; Branco, Paula S.","Exploring the synthesis of aminal guanidine-based molecules: synthesis of cernumidine and analogues, and survey of its anti-inflammatory activity","New Journal of Chemistry","2024","48","12","5247","5257","10.1039/D3NJ05406C","","x-ray","1.54178","CuKα","","0.0871","0.0704","","","0.178","0.188","","","","","","1.016","","","","has coordinates","291033","2024-04-05","00:06:49",""
"7063059","3.8871","0.0008","16.768","0.003","16.927","0.003","104.837","0.003","90.598","0.003","93.363","0.003","1064.3","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H4 Br2 N2 -","- C10 H4 Br2 N2 -","- C40 H16 Br8 N8 -","4","2","","Ali, Hasrat; van Lier, Johan E.","gem-Dibromovinyl phthalonitriles: synthesis, structure elucidation, Hirshfeld surface analysis and energy framework calculations","New Journal of Chemistry","2024","48","14","6350","6366","10.1039/D3NJ04853E","","","0.71073","MoKα","","0.0656","0.047","","","0.1298","0.1376","","","","","","0.931","","","","has coordinates","291023","2024-04-05","00:05:18",""
"7063060","13.792","0.003","12.009","0.002","8.5544","0.0016","90","","100.71","0.003","90","","1392.2","0.5","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H8 Br2 N2 -","- C16 H8 Br2 N2 -","- C64 H32 Br8 N8 -","4","1","","Ali, Hasrat; van Lier, Johan E.","gem-Dibromovinyl phthalonitriles: synthesis, structure elucidation, Hirshfeld surface analysis and energy framework calculations","New Journal of Chemistry","2024","48","14","6350","6366","10.1039/D3NJ04853E","","","0.71073","MoKα","","0.0266","0.0216","","","0.0392","0.0404","","","","","","1","","","","has coordinates","291023","2024-04-05","00:05:18",""
"7063061","10.5579","0.0018","8.9875","0.0015","15.356","0.003","90","","96.755","0.003","90","","1447","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 Br2 N2 O -","- C16 H8 Br2 N2 O -","- C64 H32 Br8 N8 O4 -","4","1","","Ali, Hasrat; van Lier, Johan E.","gem-Dibromovinyl phthalonitriles: synthesis, structure elucidation, Hirshfeld surface analysis and energy framework calculations","New Journal of Chemistry","2024","48","14","6350","6366","10.1039/D3NJ04853E","","","0.71073","MoKα","","0.0573","0.0363","","","0.0817","0.0905","","","","","","1.032","","","","has coordinates","291023","2024-04-05","00:05:18",""
"7063062","10.686","0.003","16.072","0.004","8.999","0.002","90","","91.726","0.003","90","","1544.8","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 Br2 N2 -","- C18 H8 Br2 N2 -","- C72 H32 Br8 N8 -","4","1","","Ali, Hasrat; van Lier, Johan E.","gem-Dibromovinyl phthalonitriles: synthesis, structure elucidation, Hirshfeld surface analysis and energy framework calculations","New Journal of Chemistry","2024","48","14","6350","6366","10.1039/D3NJ04853E","","","0.71073","MoKα","","0.1046","0.0434","","","0.07","0.0847","","","","","","0.98","","","","has coordinates","291023","2024-04-05","00:05:18",""
"7063063","3.9428","0.0012","7.726","0.002","22.719","0.007","91.706","0.005","92.741","0.005","98.326","0.005","683.5","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H8 Br2 N2 -","- C16 H8 Br2 N2 -","- C32 H16 Br4 N4 -","2","1","","Ali, Hasrat; van Lier, Johan E.","gem-Dibromovinyl phthalonitriles: synthesis, structure elucidation, Hirshfeld surface analysis and energy framework calculations","New Journal of Chemistry","2024","48","14","6350","6366","10.1039/D3NJ04853E","","","0.71073","MoKα","","0.0617","0.0471","","","0.1023","0.1061","","","","","","1.083","","","","has coordinates","291023","2024-04-05","00:05:18",""
"7063064","6.13","0.003","15.48","0.007","22.251","0.01","90","","90","","90","","2111.5","1.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H10 Br2 N4 O2 -","- C24 H10 Br2 N4 O2 -","- C96 H40 Br8 N16 O8 -","4","1","","Ali, Hasrat; van Lier, Johan E.","gem-Dibromovinyl phthalonitriles: synthesis, structure elucidation, Hirshfeld surface analysis and energy framework calculations","New Journal of Chemistry","2024","48","14","6350","6366","10.1039/D3NJ04853E","","","0.71073","MoKα","","0.0895","0.0623","","","0.159","0.1711","","","","","","1.009","","","","has coordinates","291023","2024-04-05","00:05:18",""
"7063065","6.7908","0.0013","9.4219","0.0018","13.421","0.003","80.129","0.003","79.462","0.003","70.322","0.003","789.3","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H8 Br2 N2 -","- C18 H8 Br2 N2 -","- C36 H16 Br4 N4 -","2","1","","Ali, Hasrat; van Lier, Johan E.","gem-Dibromovinyl phthalonitriles: synthesis, structure elucidation, Hirshfeld surface analysis and energy framework calculations","New Journal of Chemistry","2024","48","14","6350","6366","10.1039/D3NJ04853E","","","0.71073","MoKα","","0.0397","0.0272","","","0.0646","0.0684","","","","","","1.038","","","","has coordinates","291023","2024-04-05","00:05:18",""
"7063066","18.357","0.011","12.475","0.007","18.564","0.013","90","","115.78","0.02","90","","3828","4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl (Z)-(4-(1-cyano-2-(thiophen-3-yl)vinyl)phenyl)carbamate","","- C41 H54 N2 O2 S -","- C41 H54 N2 O2 S -","- C164 H216 N8 O8 S4 -","4","2","","Ramya, Nelliyulla Kappumchalil; Athira, Parappurath; Mathews, Manoj; Shankar Rao, Doddamane S.; Thomas, Reji","Cholesterol-appended cyanostyryl thiophene positional isomers with multistimuli responsive emission switching and liquid crystalline properties","New Journal of Chemistry","2024","48","13","5911","5918","10.1039/D3NJ04310J","","","0.71073","MoKα","","0.1327","0.0703","","","0.1309","0.1616","","","","","","1.107","","","","has coordinates,has disorder","291011","2024-04-05","00:02:48",""
"7063067","10.7851","0.0003","12.7214","0.0004","12.9752","0.0004","66.4","0.001","73.542","0.001","72.674","0.001","1529.66","0.08","200","2","200.15","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H29 Cu P2 -","- C38 H29 Cu P2 -","- C76 H58 Cu2 P4 -","2","1","","Moussa, J.; Juliá, F.; Chamoreau, L. M.; González-Herrero, P.","Mechanochromic photoluminescence in a dinuclear alkynyl copper(i) complex with an extremely short Cu(i)⋯Cu(i) separation","New Journal of Chemistry","2024","48","13","5577","5581","10.1039/D3NJ05209E","","","1.54178","CuKα","","0.0254","0.025","","","0.0675","0.068","","","","","","1.044","","","","has coordinates","291015","2024-04-05","00:04:00",""
"7063068","8.376","0.004","9.322","0.004","12.011","0.006","99.753","0.018","94.602","0.019","94.902","0.019","916.6","0.7","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H46 Cl2 F2 N10 P4 -","- C28 H46 Cl2 F2 N10 P4 -","- C28 H46 Cl2 F2 N10 P4 -","1","0.5","","Elmas, Gamze; Okumuş, Aytuğ; Kılıç, Zeynel; Hökelek, Tuncer","Phosphorus–nitrogen compounds. Part 73. Dispiromono and dispirobicyclotetraphosphazene derivatives: syntheses, and spectroscopic, crystallographic and thermal studies","New Journal of Chemistry","2024","48","13","5804","5819","10.1039/D4NJ00569D","","","0.71073","MoKα","","0.0839","0.0727","","","0.1957","0.2025","","","","","","1.152","","","","has coordinates","291016","2024-04-05","00:04:07",""
"7063069","9.1703","0.0003","9.7421","0.0003","9.8703","0.0004","74.561","0.004","82.14","0.004","63.676","0.003","761.65","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cl4 F2 N8 P4 -","- C22 H30 Cl4 F2 N8 P4 -","- C22 H30 Cl4 F2 N8 P4 -","1","0.5","","Elmas, Gamze; Okumuş, Aytuğ; Kılıç, Zeynel; Hökelek, Tuncer","Phosphorus–nitrogen compounds. Part 73. Dispiromono and dispirobicyclotetraphosphazene derivatives: syntheses, and spectroscopic, crystallographic and thermal studies","New Journal of Chemistry","2024","48","13","5804","5819","10.1039/D4NJ00569D","","","0.71073","MoKα","","0.0402","0.0379","","","0.1002","0.102","","","","","","1.066","","","","has coordinates","291016","2024-04-05","00:04:07",""
"7063070","5.6923","0.0001","11.2384","0.0003","11.8487","0.0003","109.053","0.002","93.53","0.002","92.661","0.002","713.32","0.03","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","CCDC Area Detector","","- C20 H16 N2 O -","- C20 H16 N2 O -","- C40 H32 N4 O2 -","2","1","","Chen, Yanqi; Hao, Subin; Yin, Lingfeng; Song, Xinluo; Liu, Zhiyao; Li, Mingde; Dang, Li","Metal-free cascade reactions for one-pot tetrahydroquinoxaline construction through nitroarene reduction and imine hydrogenation with water","New Journal of Chemistry","2024","48","14","6103","6108","10.1039/D3NJ05093A","","x-ray","1.54184","CuKα","","0.0466","0.0452","","","0.1254","0.127","","","","","","1.057","","","","has coordinates","291022","2024-04-05","00:05:06",""
"7063071","8.1113","0.0005","6.7331","0.0003","11.6092","0.0007","90","","105.805","0.007","90","","610.06","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C30 H28 N4 O2 -","2","1","","Chen, Yanqi; Hao, Subin; Yin, Lingfeng; Song, Xinluo; Liu, Zhiyao; Li, Mingde; Dang, Li","Metal-free cascade reactions for one-pot tetrahydroquinoxaline construction through nitroarene reduction and imine hydrogenation with water","New Journal of Chemistry","2024","48","14","6103","6108","10.1039/D3NJ05093A","","x-ray","1.54184","CuKα","","0.0518","0.0494","","","0.1256","0.1277","","","","","","1.087","","","","has coordinates","291022","2024-04-05","00:05:07",""
"7063072","10.6374","0.0014","22.981","0.003","14.4274","0.0017","90","","106.458","0.004","90","","3382.4","0.7","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H31 N3 Ni2 O14 S3 -","- C21 H31 N3 Ni2 O14 S3 -","- C84 H124 N12 Ni8 O56 S12 -","4","1","","Vernekar, Beena K.; Harmalkar, Nikita N.; Gaonkar, Sanket K.; Sannigrahi, Jhuma; Dhuri, Sunder N.","Weakly antiferromagnetic vanillin and acetate bridged dinuclear Ni(ii) compound exhibiting catecholase-like activity and biological properties","New Journal of Chemistry","2024","48","8","3472","3482","10.1039/D3NJ04662A","","","0.71073","MoKα","","0.0656","0.0465","","","0.1171","0.1295","","","","","","1.031","","","","has coordinates","290067","2024-03-04","13:24:06",""
"7063073","17.1504","0.0012","18.407","0.0014","15.3957","0.0012","90","","90.952","0.003","90","","4859.6","0.6","302","2","302","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Br4 Cl4 Ni4 O16 -","- C36 H40 Br4 Cl4 Ni4 O16 -","- C144 H160 Br16 Cl16 Ni16 O64 -","4","1","","Aryaeifar, Mahnaz; Rudbari, Hadi Amiri; Moreno-Pineda, Eufemio; Cuevas-Vicario, José V.; Paul, Sagar; Schulze, Michael; Wernsdorfer, Wolfgang; Lloret, Francisco; Moini, Nakisa; Blacque, Olivier","Synthesis, characterization and magnetic properties of halogenated tetranuclear cubane-like nickel(ii) complexes","New Journal of Chemistry","2024","48","8","3603","3613","10.1039/D3NJ05585J","","","0.71073","MoKα","","0.116","0.0628","","","0.1064","0.1339","","","","","","1.093","","","","has coordinates","290068","2024-03-04","13:24:31",""
"7063074","18.7014","0.0006","18.7014","0.0006","5.364","0.0002","90","","90","","90","","1876.02","0.11","273","2","273","2","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- Ba5 O40 Si8 Y12 Zn -","- Ba5 O40 Si8 Y12 Zn -","- Ba10 O80 Si16 Y24 Zn2 -","2","0.125","","Ababaikeri, Aihaimaitijiang; Pan, Xueting; Tuniyazi, Gulimeikereyi; Jiang, Xiangzhan; Zhang, Yanhui; Malik, Dilnur","Ba5Y12Zn[O(SiO4)]8: a novel non-centrosymmetric silicate with a short ultraviolet cut-off edge featuring [ZnSi4O16] and [SiO4] units","New Journal of Chemistry","2024","48","8","3594","3602","10.1039/D3NJ04480G","","","0.71073","MoKα","","0.0224","0.0212","","","0.0468","0.0471","","","","","","1.013","","","","has coordinates","290069","2024-03-04","13:25:03",""
"7063075","10.98","0.003","10.19","0.002","10.555","0.003","90","","100.591","0.006","90","","1160.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Dy N2 O9 -","- C9 H10 Dy N2 O9 -","- C36 H40 Dy4 N8 O36 -","4","1","","Nisa, Zaib ul; Ahmad, Musheer; Sheikh, Haq Nawaz","Two lanthanoid-carboxylate directed coordination polymers for the luminescent selective detection of Fe3+ and meta-nitroaniline in aqueous solution","New Journal of Chemistry","2024","48","7","3100","3109","10.1039/D3NJ05433K","","","0.71073","MoKα","","0.0542","0.049","","","0.1225","0.1278","","","","","","1.128","","","","has coordinates","290070","2024-03-04","13:26:20",""
"7063076","10.911","0.003","10.217","0.003","10.524","0.003","90","","100.378","0.006","90","","1154","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 Gd N2 O9 -","- C8 H9 Gd N2 O9 -","- C32 H36 Gd4 N8 O36 -","4","1","","Nisa, Zaib ul; Ahmad, Musheer; Sheikh, Haq Nawaz","Two lanthanoid-carboxylate directed coordination polymers for the luminescent selective detection of Fe3+ and meta-nitroaniline in aqueous solution","New Journal of Chemistry","2024","48","7","3100","3109","10.1039/D3NJ05433K","","","0.71073","MoKα","","0.049","0.041","","","0.0905","0.0963","","","","","","1.106","","","","has coordinates","290070","2024-03-04","13:26:21",""
"7063077","5.9532","0.0001","10.2293","0.0002","22.7669","0.0004","90.064","0.001","93.193","0.001","92.558","0.001","1382.9","0.04","213","","213","","","","","","","","","3","P 1","P 1","1","","","","- C21 H22 O4 -","- C21 H22 O4 -","- C63 H66 O12 -","3","3","","Chen, Jiawei; Shao, Ying; Tang, Shengbiao; Sun, Jiangtao","Enantioselective insertion of vinyl diazoacetates into O–H bonds of carboxylic acids","New Journal of Chemistry","2024","48","12","5092","5096","10.1039/D4NJ00289J","","","1.34139","GaKα","","0.0339","0.0322","","","0.0817","0.0831","","","","","","1.029","","","","has coordinates","291031","2024-04-05","00:06:26",""
"7063078","7.6259","0.0006","22.2673","0.0017","12.9983","0.0011","90","","92.158","0.003","90","","2205.7","0.3","149.81","","149.81","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N O4 S -","- C11 H11 N O4 S -","- C88 H88 N8 O32 S8 -","8","2","","Lu, Zujia; Yang, Guangzao; Luo, Huaxin; Gao, Minjie; Irfan, Majeed; Wang, Fei; Zeng, Zhuo","An efficient and straightforward approach for accessing sulfonamide/N-sulfonyl succinic esters via potassium fluoride-promoted C–N cleavage of N-sulfonyl succinimide","New Journal of Chemistry","2024","48","14","6378","6385","10.1039/D4NJ00330F","","","0.71073","MoKα","","0.0465","0.0363","","","0.0911","0.0984","","","","","","1.025","","","","has coordinates","291021","2024-04-05","00:04:57",""
"7063079","8.6905","0.0005","13.8209","0.0008","19.6302","0.0011","80.159","0.005","84.229","0.005","72.876","0.005","2217","0.2","169.99","0.1","169.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H21 Br N2 O2 -","- C27 H21 Br N2 O2 -","- C108 H84 Br4 N8 O8 -","4","2","","Chen, Shuang; Wang, Xi-Rui; Wang, Wei-Na; Xu, Ke-Lan; Hu, Pan; Zhou, Ying; Pan, Bo-Wen; Wang, Qi-Lin; Liu, Xiong-Li","Design, synthesis and evaluation of structurally diverse polycyclic harmaline scaffolds as anticancer agents","New Journal of Chemistry","2024","48","14","6322","6334","10.1039/D4NJ00306C","","x-ray","1.54184","CuKα","","0.0853","0.0619","","","0.148","0.1557","","","","","","1.089","","","","has coordinates","291024","2024-04-05","00:05:25",""
"7063080","11.363","0.002","10.957","0.002","12.286","0.003","90","","95.46","0.008","90","","1522.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","1","","Ghosh, Aritra; Upadhyay, Samridhi; Dahatonde, Dipak J.; Kant, Ruchir; Batra, Sanjay","Lewis acid-mediated modular route to the synthesis of 3-substituted quinolines from 2-aminobenzyl alcohols and enamine(one)s","New Journal of Chemistry","2024","48","15","6902","6910","10.1039/D3NJ05556F","","","1.54184","CuKα","","0.0747","0.0605","","","0.151","0.1579","","","","","","0.935","","","","has coordinates","291678","2024-05-05","03:51:40",""
"7063081","16.0607","0.0004","28.9999","0.0009","38.8996","0.0009","90","","90","","90","","18117.8","0.8","150","2","150","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C36 H33 Ag Eu N13 O14 P2 -","- C36 H33 Ag Eu N13 O14 P2 -","- C576 H528 Ag16 Eu16 N208 O224 P32 -","16","2","","Bryleva, Yuliya A.; Rakhmanova, Mariana I.; Artem'ev, Alexander V.; Baranov, Andrey Yu.; Glinskaya, Ludmila A.","Dual emissive Ln(iii)–Ag(i) heterometallic chains based on tris(2-pyridyl)phosphine oxide","New Journal of Chemistry","2024","48","14","6430","6437","10.1039/D4NJ00617H","","","0.71073","MoKα","","0.0448","0.0384","","","0.0842","0.0882","","","","","","1.055","","","","has coordinates,has disorder","291019","2024-04-05","00:04:44",""
"7063082","16.0444","0.0004","28.8706","0.0009","38.8302","0.001","90","","90","","90","","17986.6","0.9","150","2","150","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C36 H33 Ag N13 O14 P2 Tb -","- C36 H33 Ag N13 O14 P2 Tb -","- C576 H528 Ag16 N208 O224 P32 Tb16 -","16","2","","Bryleva, Yuliya A.; Rakhmanova, Mariana I.; Artem'ev, Alexander V.; Baranov, Andrey Yu.; Glinskaya, Ludmila A.","Dual emissive Ln(iii)–Ag(i) heterometallic chains based on tris(2-pyridyl)phosphine oxide","New Journal of Chemistry","2024","48","14","6430","6437","10.1039/D4NJ00617H","","","0.71073","MoKα","","0.0443","0.034","","","0.0719","0.0763","","","","","","1.017","","","","has coordinates,has disorder","291019","2024-04-05","00:04:44",""
"7063083","9.32674","0.00013","13.9964","0.0002","25.3147","0.0003","90","","90","","90","","3304.6","0.08","99.97","0.13","99.97","0.13","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H40 N6 O4 -","- C38 H40 N6 O4 -","- C152 H160 N24 O16 -","4","1","","Chen, Zi-Yue; Xu, Ke-Lan; Wang, Xi-Rui; Hu, Pan; Jiang, Wei-Yan; Dai, Yi-Feng; Peng, Li-Jun; Liu, Xiong-Li","Phen-2NO, a new C2-symmetric rigid-featured tetradentate ligand, and its application in the asymmetric alkylation reaction of indoles","New Journal of Chemistry","2024","48","15","6670","6675","10.1039/D4NJ00088A","","x-ray","1.54184","CuKα","","0.0463","0.0446","","","0.1248","0.1264","","","","","","1.026","","","","has coordinates","291676","2024-05-05","03:50:31",""
"7063084","9.31509","0.00006","19.69557","0.00013","20.1738","0.00014","90","","90","","90","","3701.21","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","8,10-dimethyl-12-(4-nitrophenyl)-7a,8,11a,12-tetrahydro-9H-benzo[5,6]chromeno[2,3-d]pyrimidine-9,11(10H)-dione","","- C23 H17 N3 O5 -","- C23 H17 N3 O5 -","- C184 H136 N24 O40 -","8","1","","Das, Arindam; Dey, Sovan; Yadav, Ram Naresh; Dutta, Prajna; Dhiman, Shubham; Boruah, Palash Jyoti; Sarkar, Koushik; Sahu, Abhishek; Jana, Anupam; Paul, Amit Kumar; Hossain, Md. Firoj","Unleashing naphthopyranopyrimidine's anticancer potential: a deep eutectic solvent (DES) study","New Journal of Chemistry","2024","48","17","7566","7578","10.1039/D4NJ00796D","","x-ray","1.54184","CuKα","","0.0372","0.0361","","","0.0971","0.0982","","","","","","1.056","","","","has coordinates","291672","2024-05-05","03:48:27",""
"7063085","11.6627","0.0005","12.4671","0.0006","16.7859","0.0009","90","","92.366","0.004","90","","2438.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H76 Cu3 N2 O12 -","- C38 H76 Cu3 N2 O12 -","- C76 H152 Cu6 N4 O24 -","2","0.5","","Butrymowicz-Kubiak, A.; Luba, W.; Madajska, K.; Muzioł, T.; Szymańska, I. B.","Pivalate complexes of copper(ii) with aliphatic amines as potential precursors for depositing nanomaterials from the gas phase","New Journal of Chemistry","2024","48","14","6232","6245","10.1039/D3NJ04959K","","x-ray","1.54184","CuKα","","0.0528","0.0478","","","0.1244","0.1275","","","","","","1.025","","","","has coordinates,has disorder","291017","2024-04-05","00:04:20",""
"7063086","12.5325","0.0005","11.1446","0.0004","17.1279","0.0007","90","","94.728","0.004","90","","2384.11","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H76 Cu3 N2 O12 -","- C38 H76 Cu3 N2 O12 -","- C76 H152 Cu6 N4 O24 -","2","0.5","","Butrymowicz-Kubiak, A.; Luba, W.; Madajska, K.; Muzioł, T.; Szymańska, I. B.","Pivalate complexes of copper(ii) with aliphatic amines as potential precursors for depositing nanomaterials from the gas phase","New Journal of Chemistry","2024","48","14","6232","6245","10.1039/D3NJ04959K","","x-ray","1.54184","CuKα","","0.0934","0.0716","","","0.194","0.2117","","","","","","1.034","","","","has coordinates,has disorder","291017","2024-04-05","00:04:20",""
"7063087","6.2514","0.0012","12.462","0.004","12.7926","0.0014","109.72","0.02","99.887","0.015","103.83","0.02","875.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H56 Cu3 N2 O10 -","- C26 H56 Cu3 N2 O10 -","- C26 H56 Cu3 N2 O10 -","1","0.5","","Butrymowicz-Kubiak, A.; Luba, W.; Madajska, K.; Muzioł, T.; Szymańska, I. B.","Pivalate complexes of copper(ii) with aliphatic amines as potential precursors for depositing nanomaterials from the gas phase","New Journal of Chemistry","2024","48","14","6232","6245","10.1039/D3NJ04959K","","x-ray","1.54184","CuKα","","0.1846","0.1094","","","0.2815","0.3288","","","","","","1.032","","","","has coordinates,has disorder","291017","2024-04-05","00:04:20",""
"7063088","20.1618","0.0005","25.4106","0.0006","28.8931","0.0007","90","","90","","90","","14802.6","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C82 H225 Cu20 N7 O72 -","- C82 H207 Cu20 N7 O72 -","- C328 H828 Cu80 N28 O288 -","4","0.5","","Butrymowicz-Kubiak, A.; Luba, W.; Madajska, K.; Muzioł, T.; Szymańska, I. B.","Pivalate complexes of copper(ii) with aliphatic amines as potential precursors for depositing nanomaterials from the gas phase","New Journal of Chemistry","2024","48","14","6232","6245","10.1039/D3NJ04959K","","x-ray","1.54184","CuKα","","0.0486","0.0432","","","0.124","0.1277","","","","","","1.045","","","","has coordinates,has disorder","291017","2024-04-05","00:04:20",""
"7063089","27.4244","0.001","10.1468","0.0004","26.5011","0.001","90","","110.591","0.001","90","","6903.3","0.5","110","","110","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H35 Cl F6 N3 P Ru -","- C36 H35 Cl F6 N3 P Ru -","- C288 H280 Cl8 F48 N24 P8 Ru8 -","8","1","","Mounica, Arangasamy; Kumar, Arumugam Madan; Bhuvanesh, Nattamai S. P.; Ganeshpandian, Mani","Synthesis, characterization, and anticancer activity of Ru(p-cymene) complexes bearing pyrazolyl–pyridine type ligands","New Journal of Chemistry","2024","48","14","6392","6400","10.1039/D4NJ00259H","","","0.71073","MoKα","","0.0358","0.0253","","","0.0554","0.0576","","","","","","1.07","","","","has coordinates","291018","2024-04-05","00:04:30",""
"7063090","11.7769","0.0004","11.7769","0.0004","31.359","0.002","90","","90","","90","","4349.3","0.3","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C25 H20 Br N O4 -","- C25 H20 Br N O4 -","- C200 H160 Br8 N8 O32 -","8","1","","Mou, Chengli; Liang, Guangping; Liang, Peiyao; Chen, Siyi; Wu, Chong; Teng, Shenghan; Wang, Shoulei","Highly enantioselective allylic amination reaction through aerobic oxidative organo–organo dual catalytic system","New Journal of Chemistry","2024","48","14","6076","6080","10.1039/D4NJ00478G","","x-ray","0.71073","MoKα","","0.1108","0.0506","","","0.074","0.0867","","","","","","1.006","","","","has coordinates","291020","2024-04-05","00:04:51",""
"7063091","10.3385","0.0007","11.3107","0.0008","20.2487","0.0014","94.76","0.002","98.914","0.002","105.686","0.002","2232.6","0.3","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22.5 Fe N2 -","- C30 H22.5 Fe N2 -","- C120 H90 Fe4 N8 -","4","2","","Purushothaman, Palani; Mohanapriya, Devarasu; Thenmozhi, Kathavarayan; Karpagam, Subramanian","Designing a ferrocene biphenyl pyridine modified electrode for the non-enzymatic electrochemical detection of catechol","New Journal of Chemistry","2024","48","15","6893","6901","10.1039/D4NJ00710G","","","0.71073","MoKα","","0.1826","0.0662","","","0.0987","0.1368","","","","","","1.034","","","","has coordinates","291679","2024-05-05","03:52:10",""
"7063092","21.8484","0.0003","6.6265","0.0001","19.525","0.0003","90","","106.818","0.001","90","","2705.89","0.07","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 O5 P2 W -","- C29 H22 O5 P2 W -","- C116 H88 O20 P8 W4 -","4","1","","Zagidullin, Almaz A.; Ganushevich, Yulia S.; Korchagin, Denis V.; Lönnecke, Peter; Hey-Hawkins, Evamarie; Miluykov, Vasili A.","Synthesis of P,P-bidentate caged phosphines via tungsten pentacarbonyl-promoted cycloaddition reactions of 1-alkyl-1,2-diphospholes","New Journal of Chemistry","2024","48","15","6848","6856","10.1039/D3NJ05665A","","","0.71073","MoKα","","0.027","0.0221","","","0.0449","0.0467","","","","","","1.079","","","","has coordinates","291677","2024-05-05","03:51:15",""
"7063093","36.7665","0.0011","9.3053","0.0002","28.2716","0.0007","90","","106.002","0.003","90","","9297.6","0.4","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53.5 H49 O4 P3 W -","- C53.5 H49 O4 P3 W -","- C428 H392 O32 P24 W8 -","8","1","","Zagidullin, Almaz A.; Ganushevich, Yulia S.; Korchagin, Denis V.; Lönnecke, Peter; Hey-Hawkins, Evamarie; Miluykov, Vasili A.","Synthesis of P,P-bidentate caged phosphines via tungsten pentacarbonyl-promoted cycloaddition reactions of 1-alkyl-1,2-diphospholes","New Journal of Chemistry","2024","48","15","6848","6856","10.1039/D3NJ05665A","","","0.71073","MoKα","","0.0653","0.0414","","","0.0836","0.0922","","","","","","1.034","","","","has coordinates,has disorder","291677","2024-05-05","03:51:20",""
"7063094","11.1996","0.0001","12.577","0.0002","17.0315","0.0002","96.854","0.001","105.569","0.001","108.354","0.001","2138.21","0.05","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H40 O4 P4 W -","- C50 H40 O4 P4 W -","- C100 H80 O8 P8 W2 -","2","1","","Zagidullin, Almaz A.; Ganushevich, Yulia S.; Korchagin, Denis V.; Lönnecke, Peter; Hey-Hawkins, Evamarie; Miluykov, Vasili A.","Synthesis of P,P-bidentate caged phosphines via tungsten pentacarbonyl-promoted cycloaddition reactions of 1-alkyl-1,2-diphospholes","New Journal of Chemistry","2024","48","15","6848","6856","10.1039/D3NJ05665A","","","0.71073","MoKα","","0.0235","0.0208","","","0.047","0.0479","","","","","","1.076","","","","has coordinates","291677","2024-05-05","03:51:20",""
"7063095","8.44882","0.00013","8.76255","0.00016","13.5212","0.0003","92.2891","0.0015","107.07","0.0015","113.235","0.0016","865.37","0.03","293","","293","","","","","","","","","4","P -1","-P 1","2","","DSIA","","- C23 H15 N3 O -","- C23 H15 N3 O -","- C46 H30 N6 O2 -","2","1","","Ali, Irshad; Dwivedi, Bhupendra Kumar; Singh, Vishwa Deepak; Pandey, Daya Shankar","Intermolecular hydrogen bonding-assisted aggregation induced emission in quinolone–quinazoline conjugates and their potential use in acidochromism","New Journal of Chemistry","2024","48","15","6943","6953","10.1039/D3NJ05832H","","","0.71073","MoKα","","0.0444","0.0365","","","0.091","0.0995","","","","","","1.0862","","","","has coordinates","291680","2024-05-05","03:53:11",""
"7063096","11.2","0.005","13.46","0.006","13.666","0.007","61.638","0.016","87.414","0.018","86.773","0.016","1809.6","1.5","100","","100","","","","","","","","","4","P -1","-P 1","2","","TR1","","- C24 H17 N3 O2 -","- C24 H16.5 N3 O2 -","- C96 H66 N12 O8 -","4","2","","Ali, Irshad; Dwivedi, Bhupendra Kumar; Singh, Vishwa Deepak; Pandey, Daya Shankar","Intermolecular hydrogen bonding-assisted aggregation induced emission in quinolone–quinazoline conjugates and their potential use in acidochromism","New Journal of Chemistry","2024","48","15","6943","6953","10.1039/D3NJ05832H","","","0.71073","MoKα","","0.226","0.1149","","","0.2939","0.4012","","","","","","1.086","","","","has coordinates","295862","2024-11-09","12:08:11",""
"7063097","8.823","0.0002","9.2762","0.0002","12.4666","0.0003","104.428","0.002","100.592","0.002","106.453","0.002","911.44","0.04","293","","293","","","","","","","","","4","P -1","-P 1","2","","Me","","- C24 H17 N3 O -","- C24 H17 N3 O -","- C48 H34 N6 O2 -","2","1","","Ali, Irshad; Dwivedi, Bhupendra Kumar; Singh, Vishwa Deepak; Pandey, Daya Shankar","Intermolecular hydrogen bonding-assisted aggregation induced emission in quinolone–quinazoline conjugates and their potential use in acidochromism","New Journal of Chemistry","2024","48","15","6943","6953","10.1039/D3NJ05832H","","","0.71073","MoKα","","0.0736","0.0487","","","0.1179","0.148","","","","","","1.1552","","","","has coordinates","291680","2024-05-05","03:53:16",""
"7063098","10.0356","0.001","8.9757","0.0009","16.4255","0.0016","90","","94.951","0.002","90","","1474","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Br2 Cl2 Cu2 N4 O2 -","- C28 H24 Br2 Cl2 Cu2 N4 O2 -","- C56 H48 Br4 Cl4 Cu4 N8 O4 -","2","0.5","","Mondal, Rimpa; Chakraborty, Aratrika; Zangrando, Ennio; Shukla, Madhulata; Chattopadhyay, Tanmay","Synthesis of copper(ii) complex-functionalized Fe3O4@ISNA (ISNA = isonicotinic acid) as a magnetically recoverable nanomaterial: catalytic studies in alcohol oxidation and nitrophenol reduction, and TD-DFT studies","New Journal of Chemistry","2024","48","16","7308","7322","10.1039/D3NJ05440C","","","1.54178","CuKα","","0.0446","0.0446","","","0.1203","0.1203","","","","","","1.207","","","","has coordinates","291673","2024-05-05","03:49:04",""
"7063099","9.949","0.0007","8.9918","0.0007","16.3641","0.0012","90","","95.912","0.002","90","","1456.14","0.19","183","","183","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Cl4 Cu2 N4 O2 -","- C28 H24 Cl4 Cu2 N4 O2 -","- C56 H48 Cl8 Cu4 N8 O4 -","2","0.5","","Mondal, Rimpa; Chakraborty, Aratrika; Zangrando, Ennio; Shukla, Madhulata; Chattopadhyay, Tanmay","Synthesis of copper(ii) complex-functionalized Fe3O4@ISNA (ISNA = isonicotinic acid) as a magnetically recoverable nanomaterial: catalytic studies in alcohol oxidation and nitrophenol reduction, and TD-DFT studies","New Journal of Chemistry","2024","48","16","7308","7322","10.1039/D3NJ05440C","","x-ray","1.54178","CuKα","","0.0329","0.0329","","","0.0961","0.0962","","","","","","1.205","","","","has coordinates","291673","2024-05-05","03:49:09",""
"7063100","15.8498","0.0002","16.2943","0.0002","18.5455","0.0002","90","","98.377","0.001","90","","4738.49","0.1","173","0.1","173","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C52 H54 Cl2 Co N2 P2 Si2 -","- C52 H54 Cl2 Co N2 P2 Si2 -","- C208 H216 Cl8 Co4 N8 P8 Si8 -","4","1","","Zhang, Min; Dong, Yanhong; Li, Qingshuang; Li, Xiaoyan; Sun, Hongjian","Effects of silylene ligands on the catalytic activity of [PSiP] pincer cobalt(ii) chloride for N2 silylation","New Journal of Chemistry","2024","48","16","7334","7339","10.1039/D4NJ00883A","","x-ray","1.54184","CuKα","","0.0294","0.0273","","","0.0619","0.0626","","","","","","1.029","","","","has coordinates","291674","2024-05-05","03:49:32",""
"7063101","17.8805","0.0006","10.8261","0.0004","17.4012","0.0006","90","","113.543","0.001","90","","3088.07","0.19","223","","223","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H45 Cl Mg N4 O3 -","- C30 H45 Cl Mg N4 O3 -","- C120 H180 Cl4 Mg4 N16 O12 -","4","1","","Wu, Mengxiang; Chen, Ling; Yang, Xiaohan; Li, Yahong","Magnesium(ii) complexes supported by indole- and pyrrole-containing Schiff-base ligands: syntheses, structures, and applications as precatalysts in the hydroboration of nitriles and alkynes","New Journal of Chemistry","2024","48","16","7125","7133","10.1039/D4NJ00492B","","","0.71073","MoKα","","0.1713","0.0817","","","0.1939","0.2839","","","","","","1.004","","","","has coordinates,has disorder","291675","2024-05-05","03:50:01",""
"7063102","18.0348","0.0007","10.8915","0.0004","17.4378","0.0006","90","","113.619","0.001","90","","3138.3","0.2","223","","223","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H45 Br Mg N4 O3 -","- C30 H45 Br Mg N4 O3 -","- C120 H180 Br4 Mg4 N16 O12 -","4","1","","Wu, Mengxiang; Chen, Ling; Yang, Xiaohan; Li, Yahong","Magnesium(ii) complexes supported by indole- and pyrrole-containing Schiff-base ligands: syntheses, structures, and applications as precatalysts in the hydroboration of nitriles and alkynes","New Journal of Chemistry","2024","48","16","7125","7133","10.1039/D4NJ00492B","","","0.71073","MoKα","","0.1091","0.0487","","","0.1215","0.1835","","","","","","0.964","","","","has coordinates,has disorder","291675","2024-05-05","03:50:06",""
"7063103","9.487","0.0004","13.7899","0.0007","31.3556","0.0014","90","","95.802","0.001","90","","4081.1","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41.4 H51.6 Cl2 Mg2 N8 O -","- C40 H50 Cl2 Mg2 N8 O -","- C160 H200 Cl8 Mg8 N32 O4 -","4","1","","Wu, Mengxiang; Chen, Ling; Yang, Xiaohan; Li, Yahong","Magnesium(ii) complexes supported by indole- and pyrrole-containing Schiff-base ligands: syntheses, structures, and applications as precatalysts in the hydroboration of nitriles and alkynes","New Journal of Chemistry","2024","48","16","7125","7133","10.1039/D4NJ00492B","","","0.71073","MoKα","","0.1133","0.0669","","","0.129","0.1516","","","","","","1.068","","","","has coordinates,has disorder","291675","2024-05-05","03:50:06",""
"7063104","13.0809","0.0006","15.1297","0.0007","20.6694","0.001","90","","92.944","0.002","90","","4085.3","0.3","223","0.1","223","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H60 Mg2 N8 -","- C44 H60 Mg2 N8 -","- C176 H240 Mg8 N32 -","4","1","","Wu, Mengxiang; Chen, Ling; Yang, Xiaohan; Li, Yahong","Magnesium(ii) complexes supported by indole- and pyrrole-containing Schiff-base ligands: syntheses, structures, and applications as precatalysts in the hydroboration of nitriles and alkynes","New Journal of Chemistry","2024","48","16","7125","7133","10.1039/D4NJ00492B","","","0.71073","MoKα","","0.1402","0.0832","","","0.1505","0.1759","","","","","","1.113","","","","has coordinates,has disorder","291675","2024-05-05","03:50:06",""
"7063105","9.4766","0.0004","13.9573","0.0005","31.4956","0.0011","90","","95.961","0.001","90","","4143.3","0.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 Br1.86 Mg2 N8 O -","- C40 H50 Br1.8544 Mg2 N8 O -","- C160 H200 Br7.4176 Mg8 N32 O4 -","4","1","","Wu, Mengxiang; Chen, Ling; Yang, Xiaohan; Li, Yahong","Magnesium(ii) complexes supported by indole- and pyrrole-containing Schiff-base ligands: syntheses, structures, and applications as precatalysts in the hydroboration of nitriles and alkynes","New Journal of Chemistry","2024","48","16","7125","7133","10.1039/D4NJ00492B","","","0.71073","MoKα","","0.0503","0.0332","","","0.0734","0.0816","","","","","","1.051","","","","has coordinates,has disorder","291675","2024-05-05","03:50:06",""
"7063106","11.908","0.002","10.3611","0.0019","14.976","0.002","90","","97.885","0.007","90","","1830.3","0.5","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N O4 S -","- C20 H17 N O4 S -","- C80 H68 N4 O16 S4 -","4","1","","Prashanth, S.; Ajay, Chidrawar; Nagesh, Kommu; Sridhar, B.; Reddy, B. V. Subba","Rh(iii)-catalyzed sequential spiroannulation/lactonization of 3-aryl N-sulfonyl ketimines with 4-hydroxy-2-alkynoates by C–H bond activation","New Journal of Chemistry","2024","48","17","7646","7650","10.1039/D3NJ04312F","","","0.71073","MoKα","","0.0618","0.0415","","","0.1042","0.1174","","","","","","1.037","","","","has coordinates","291665","2024-05-05","03:44:53",""
"7063107","19.2175","0.0017","19.2175","0.0017","29.278","0.003","90","","90","","120","","9364.1","1.5","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C120 H160 Hf O26 P6 -","- C120 H160 Hf O26 P6 -","- C360 H479.999 Hf3 O78 P18 -","3","0.166667","","Luo, Yanping; Xu, Chengjin; Su, Jianhui; Peng, Xiujing; Kong, Xiangfeng; Wang, Shuo; Sun, Jiahui; Cui, Yu; Nie, Yong; Jiang, Xuchuan; Sun, Guoxin","Novel phosphate ester extractant for preferential extraction of hafnium over zirconium and its mechanism","New Journal of Chemistry","2024","48","17","7718","7725","10.1039/D4NJ00830H","","","0.71073","MoKα","","0.0616","0.0378","","","0.0851","0.1011","","","","","","1.123","","","","has coordinates,has disorder","291666","2024-05-05","03:45:31",""
"7063108","8.2517","0.0002","20.7292","0.0007","13.3563","0.0005","90","","102.561","0.003","90","","2229.93","0.13","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H20 F3 N O5 -","- C25 H20 F3 N O5 -","- C100 H80 F12 N4 O20 -","4","2","","He, Yingying; Li, Hongtao; Song, Longlong; Chen, Lili; Liu, Shunying","Efficient synthesis of bioactive isoindolinone derivatives containing continuous quaternary carbons by intermolecular OH transfer","New Journal of Chemistry","2024","48","17","7754","7760","10.1039/D4NJ00347K","","x-ray","1.54184","CuKα","","0.0862","0.0744","","","0.2011","0.2167","","","","","","1.097","","","","has coordinates","291668","2024-05-05","03:46:13",""
"7063109","8.571","0.002","10.845","0.003","23.991","0.006","90","","90","","90","","2230","1","273.15","","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Cl4 Cu N3 -","- C20 H21 Cl4 Cu N3 -","- C80 H84 Cl16 Cu4 N12 -","4","1","","Muley, Arabinda; Karumban, Kalai Selvan; Kumbhakar, Sadananda; Mathur, Shobhit; Roy, Indrajit; Verma, Anushka; Kumawat, Manoj Kumar; Maji, Somnath","Tailored design, synthesis, and catalytic aspects of mononuclear cis-dichloro copper(ii) complexes with simple DPA-derived tridentate ligands and their biomimicking activities","New Journal of Chemistry","2024","48","17","7739","7753","10.1039/D3NJ05740B","","","0.71073","MoKα","","0.0963","0.0591","","","0.1409","0.162","","","","","","1.043","","","","has coordinates","291671","2024-05-05","03:47:30",""
"7063110","11.1503","0.0005","12.4275","0.0005","15.4297","0.0006","88.475","0.001","74.934","0.001","86.286","0.002","2060.16","0.15","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 Cl2 Cu N3 -","- C21 H23 Cl2 Cu N3 -","- C84 H92 Cl8 Cu4 N12 -","4","2","","Muley, Arabinda; Karumban, Kalai Selvan; Kumbhakar, Sadananda; Mathur, Shobhit; Roy, Indrajit; Verma, Anushka; Kumawat, Manoj Kumar; Maji, Somnath","Tailored design, synthesis, and catalytic aspects of mononuclear cis-dichloro copper(ii) complexes with simple DPA-derived tridentate ligands and their biomimicking activities","New Journal of Chemistry","2024","48","17","7739","7753","10.1039/D3NJ05740B","","","0.71073","MoKα","","0.049","0.0319","","","0.0736","0.0804","","","","","","1.028","","","","has coordinates","291671","2024-05-05","03:47:36",""
"7063111","10.1057","0.0008","15.7064","0.001","14.8468","0.0011","90","","105.467","0.007","90","","2271.2","0.3","115.3","0.1","115.3","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cl2 Cu N8 O16 -","- C12 H16 Cl2 Cu N8 O16 -","- C48 H64 Cl8 Cu4 N32 O64 -","4","1","","Kuang, Bao-long; Lu, Zu-jia; Zhao, Bin-shan; Wang, Ting-wei; Sun, Mou; Zhang, Chao; Xu, Mei-qi; Yu, Qi-yao; Zhang, Jian-guo","A novel energetic pyridine-2-carbohydrazide copper perchlorate complex: synthesis, cationic ligand structure and properties","New Journal of Chemistry","2024","48","17","7946","7952","10.1039/D4NJ01095G","","x-ray","0.71073","MoKα","","0.0964","0.0556","","","0.0901","0.1129","","","","","","1.035","","","","has coordinates","291669","2024-05-05","03:46:40",""
"7063112","7.3108","0.001","8.3745","0.0012","11.0926","0.0016","82.288","0.012","89.995","0.011","74.587","0.012","648.34","0.16","115.25","0.1","115.25","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C6 H11 Cl2 N3 O10 -","- C6 H11 Cl2 N3 O10 -","- C12 H22 Cl4 N6 O20 -","2","1","","Kuang, Bao-long; Lu, Zu-jia; Zhao, Bin-shan; Wang, Ting-wei; Sun, Mou; Zhang, Chao; Xu, Mei-qi; Yu, Qi-yao; Zhang, Jian-guo","A novel energetic pyridine-2-carbohydrazide copper perchlorate complex: synthesis, cationic ligand structure and properties","New Journal of Chemistry","2024","48","17","7946","7952","10.1039/D4NJ01095G","","x-ray","0.71073","MoKα","","0.0465","0.0363","","","0.0776","0.0847","","","","","","1.054","","","","has coordinates","291669","2024-05-05","03:46:41",""
"7063113","4.9151","0.0006","10.5757","0.0016","12.47","0.003","90","","94.788","0.016","90","","645.9","0.2","115.45","0.1","115.45","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H11 Cl2 N3 O10 -","- C6 H11 Cl2 N3 O10 -","- C12 H22 Cl4 N6 O20 -","2","1","","Kuang, Bao-long; Lu, Zu-jia; Zhao, Bin-shan; Wang, Ting-wei; Sun, Mou; Zhang, Chao; Xu, Mei-qi; Yu, Qi-yao; Zhang, Jian-guo","A novel energetic pyridine-2-carbohydrazide copper perchlorate complex: synthesis, cationic ligand structure and properties","New Journal of Chemistry","2024","48","17","7946","7952","10.1039/D4NJ01095G","","x-ray","0.71073","MoKα","","0.0491","0.0424","","","0.0948","0.0969","","","","","","0.99","","","","has coordinates","291669","2024-05-05","03:46:41",""
"7063114","10.5558","0.0003","21.1187","0.0007","19.2437","0.0006","90","","94.644","0.001","90","","4275.8","0.2","273.15","","273.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C50 H39 Cl F N3 O2 P2 Ru -","- C50 H39 Cl F N3 O2 P2 Ru -","- C200 H156 Cl4 F4 N12 O8 P8 Ru4 -","4","1","","Halder, Supriyo; Naskar, Srijita; Jana, Debashis; Kanrar, Gopal; Pramanik, Kausikisankar; Ganguly, Sanjib","Ruthenium complexes of redox non-innocent aryl-azo-oximes for catalytic α-alkylation of ketones and synthesis of 2-substituted quinolines","New Journal of Chemistry","2024","48","18","8181","8194","10.1039/D4NJ00391H","","","0.71073","MoKα","","0.0655","0.0552","","","0.0949","0.0989","","","","","","1.249","","","","has coordinates","293218","2024-07-05","17:45:37",""
"7063115","6.223","0.0007","7.3093","0.0008","28.66","0.003","90","","90","","90","","1303.6","0.2","273","2","273.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H12 Cl N O -","- C16 H12 Cl N O -","- C64 H48 Cl4 N4 O4 -","4","1","","Halder, Supriyo; Naskar, Srijita; Jana, Debashis; Kanrar, Gopal; Pramanik, Kausikisankar; Ganguly, Sanjib","Ruthenium complexes of redox non-innocent aryl-azo-oximes for catalytic α-alkylation of ketones and synthesis of 2-substituted quinolines","New Journal of Chemistry","2024","48","18","8181","8194","10.1039/D4NJ00391H","","","0.71073","MoKα","","0.0849","0.0778","","","0.2027","0.2072","","","","","","1.04","","","","has coordinates","293218","2024-07-05","17:45:38",""
"7063116","12.9655","0.0008","7.7095","0.0005","12.0726","0.0008","90","","100.591","0.002","90","","1186.19","0.13","273","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Br N -","- C15 H10 Br N -","- C60 H40 Br4 N4 -","4","1","","Halder, Supriyo; Naskar, Srijita; Jana, Debashis; Kanrar, Gopal; Pramanik, Kausikisankar; Ganguly, Sanjib","Ruthenium complexes of redox non-innocent aryl-azo-oximes for catalytic α-alkylation of ketones and synthesis of 2-substituted quinolines","New Journal of Chemistry","2024","48","18","8181","8194","10.1039/D4NJ00391H","","","0.71073","MoKα","","0.0807","0.0704","","","0.2015","0.2194","","","","","","1.056","","","","has coordinates","293218","2024-07-05","17:45:38",""
"7063117","11.0288","0.0004","16.7801","0.0006","12.7714","0.0004","90","","113.194","0.001","90","","2172.5","0.13","273.15","","273.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C50 H40 Cl N3 O2 P2 Ru -","- C50 H40 Cl N3 O2 P2 Ru -","- C100 H80 Cl2 N6 O4 P4 Ru2 -","2","1","","Halder, Supriyo; Naskar, Srijita; Jana, Debashis; Kanrar, Gopal; Pramanik, Kausikisankar; Ganguly, Sanjib","Ruthenium complexes of redox non-innocent aryl-azo-oximes for catalytic α-alkylation of ketones and synthesis of 2-substituted quinolines","New Journal of Chemistry","2024","48","18","8181","8194","10.1039/D4NJ00391H","","","0.71073","MoKα","","0.0329","0.0296","","","0.0722","0.0736","","","","","","1.0272","","","","has coordinates,has disorder","293218","2024-07-05","17:45:38",""
"7063118","20.1633","0.0017","12.2066","0.001","18.6526","0.0016","90","","109.084","0.003","90","","4338.6","0.6","273.15","","273.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H40 Cl N3 O3 P2 Ru -","- C50 H40 Cl N3 O3 P2 Ru -","- C200 H160 Cl4 N12 O12 P8 Ru4 -","4","1","","Halder, Supriyo; Naskar, Srijita; Jana, Debashis; Kanrar, Gopal; Pramanik, Kausikisankar; Ganguly, Sanjib","Ruthenium complexes of redox non-innocent aryl-azo-oximes for catalytic α-alkylation of ketones and synthesis of 2-substituted quinolines","New Journal of Chemistry","2024","48","18","8181","8194","10.1039/D4NJ00391H","","","0.71073","MoKα","","0.046","0.0342","","","0.0781","0.0887","","","","","","1.086","","","","has coordinates,has disorder","293218","2024-07-05","17:45:38",""
"7063119","12.238","0.0005","18.671","0.0007","20.9395","0.0008","90","","99.984","0.001","90","","4712.1","0.3","273.15","","273.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50 H38 Cl F2 N3 O2 P2 Ru -","- C50 H38 Cl F2 N3 O2 P2 Ru -","- C200 H152 Cl4 F8 N12 O8 P8 Ru4 -","4","1","","Halder, Supriyo; Naskar, Srijita; Jana, Debashis; Kanrar, Gopal; Pramanik, Kausikisankar; Ganguly, Sanjib","Ruthenium complexes of redox non-innocent aryl-azo-oximes for catalytic α-alkylation of ketones and synthesis of 2-substituted quinolines","New Journal of Chemistry","2024","48","18","8181","8194","10.1039/D4NJ00391H","","","0.71073","MoKα","","0.0606","0.0496","","","0.1068","0.1126","","","","","","1.142","","","","has coordinates","293218","2024-07-05","17:45:38",""
"7063120","8.7214","0.0009","15.1141","0.0014","17.2898","0.0019","114.157","0.01","95.733","0.009","94.009","0.009","2053.6","0.4","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H36 Cd N6 O8 -","- C45 H36 Cd N6 O8 -","- C90 H72 Cd2 N12 O16 -","2","1","","Cheng, Limin; Zhang, Junyong; Zhan, Caihong; Xu, Hao; Gong, Chunhua; Xie, Jingli","Metal–organic frameworks constructed using acid–base mixed ligands, carboxylic acids and N-containing chalcone, and their catalytic performance for Knoevenagel condensation","New Journal of Chemistry","2024","48","19","8597","8602","10.1039/D3NJ05164A","","x-ray","1.54184","CuKα","","0.1078","0.0673","","","0.1514","0.183","","","","","","0.984","","","","has coordinates,has disorder","293204","2024-07-05","17:40:17",""
"7063121","9.6124","0.0003","14.9026","0.0005","17.2025","0.0006","82.802","0.003","81.793","0.003","87.487","0.003","2418.95","0.14","300","2","300.15","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H47 Co N7 O9 -","- C50 H47 Co N7 O9 -","- C100 H94 Co2 N14 O18 -","2","1","","Cheng, Limin; Zhang, Junyong; Zhan, Caihong; Xu, Hao; Gong, Chunhua; Xie, Jingli","Metal–organic frameworks constructed using acid–base mixed ligands, carboxylic acids and N-containing chalcone, and their catalytic performance for Knoevenagel condensation","New Journal of Chemistry","2024","48","19","8597","8602","10.1039/D3NJ05164A","","x-ray","1.54184","CuKα","","0.1375","0.0731","","","0.1725","0.2154","","","","","","0.997","","","","has coordinates,has disorder","293204","2024-07-05","17:40:17",""
"7063122","9.6497","0.0003","14.9391","0.0006","17.6401","0.0005","81.47","0.003","82.73","0.002","89.221","0.003","2494.58","0.15","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H47 Cd N7 O9 -","- C50 H47 Cd N7 O9 -","- C100 H94 Cd2 N14 O18 -","2","1","","Cheng, Limin; Zhang, Junyong; Zhan, Caihong; Xu, Hao; Gong, Chunhua; Xie, Jingli","Metal–organic frameworks constructed using acid–base mixed ligands, carboxylic acids and N-containing chalcone, and their catalytic performance for Knoevenagel condensation","New Journal of Chemistry","2024","48","19","8597","8602","10.1039/D3NJ05164A","","x-ray","1.54184","CuKα","","0.0401","0.0357","","","0.0903","0.0946","","","","","","1.058","","","","has coordinates,has disorder","293204","2024-07-05","17:40:17",""
"7063123","10.35","0.003","11.258","0.003","15.292","0.005","75.396","0.008","75.221","0.008","68.248","0.007","1575.4","0.8","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H25 B F2 I2 N2 -","- C35 H25 B F2 I2 N2 -","- C70 H50 B2 F4 I4 N4 -","2","1","","Ömeroğlu, İpek; Köksoy, Baybars; Öztürk, Dilek; Salah, Lubna; Maksheed, Saad; Durmuş, Mahmut","Photophysicochemical and electrochemical properties of pyrene–BODIPY platforms","New Journal of Chemistry","2024","48","26","11638","11646","10.1039/D4NJ00140K","","","0.71073","MoKα","","0.0802","0.0432","","","0.0932","0.1097","","","","","","1.017","","","","has coordinates","293198","2024-07-05","17:38:17",""
"7063124","7.3061","0.0001","7.3061","0.0001","29.5083","0.0006","90","","90","","90","","1575.13","0.04","293","2","293","2","","","","","","","","4","P 43","P 4cw","78","","","","- C16 H20 N2 O4 -","- C16 H20 N2 O4 -","- C64 H80 N8 O16 -","4","1","","Bakija, Marija; Perić, Berislav; Kirin, Srećko I.","Oxazoline amino acid bioconjugates: one-pot synthesis and analysis of supramolecular interactions","New Journal of Chemistry","2024","48","19","8702","8719","10.1039/D4NJ00995A","","","1.54184","CuKα","","0.0396","0.0376","","","0.0915","0.093","","","","","","1.105","","","","has coordinates","293207","2024-07-05","17:41:18",""
"7063125","22.688","0.004","5.2784","0.0006","16.099","0.002","90","","105.082","0.017","90","","1861.5","0.5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C80 H88 N8 O16 -","4","1","","Bakija, Marija; Perić, Berislav; Kirin, Srećko I.","Oxazoline amino acid bioconjugates: one-pot synthesis and analysis of supramolecular interactions","New Journal of Chemistry","2024","48","19","8702","8719","10.1039/D4NJ00995A","","","1.54184","CuKα","","0.0786","0.0549","","","0.1196","0.1352","","","","","","1.031","","","","has coordinates","293207","2024-07-05","17:41:19",""
"7063126","4.8579","0.0001","21.1948","0.0004","15.9374","0.0003","90","","91.905","0.002","90","","1640.04","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H40 N4 O7 -","- C34 H40 N4 O7 -","- C68 H80 N8 O14 -","2","1","","Bakija, Marija; Perić, Berislav; Kirin, Srećko I.","Oxazoline amino acid bioconjugates: one-pot synthesis and analysis of supramolecular interactions","New Journal of Chemistry","2024","48","19","8702","8719","10.1039/D4NJ00995A","","","1.54184","CuKα","","0.0568","0.0504","","","0.1544","0.1596","","","","","","1.162","","","","has coordinates","293207","2024-07-05","17:41:19",""
"7063127","14.4335","0.0002","13.2892","0.0002","9.499","0.0002","90","","105.099","0.002","90","","1759.1","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C76 H80 N8 O16 -","4","1","","Bakija, Marija; Perić, Berislav; Kirin, Srećko I.","Oxazoline amino acid bioconjugates: one-pot synthesis and analysis of supramolecular interactions","New Journal of Chemistry","2024","48","19","8702","8719","10.1039/D4NJ00995A","","","1.54184","CuKα","","0.0587","0.0528","","","0.1455","0.155","","","","","","1.063","","","","has coordinates","293207","2024-07-05","17:41:19",""
"7063128","13.243","0.0004","20.798","0.0006","7.7513","0.0002","90","","90","","90","","2134.92","0.1","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C96 H96 N8 O16 -","4","1","","Bakija, Marija; Perić, Berislav; Kirin, Srećko I.","Oxazoline amino acid bioconjugates: one-pot synthesis and analysis of supramolecular interactions","New Journal of Chemistry","2024","48","19","8702","8719","10.1039/D4NJ00995A","","","1.54184","CuKα","","0.0518","0.0468","","","0.1248","0.1288","","","","","","1.083","","","","has coordinates","293207","2024-07-05","17:41:19",""
"7063129","5.183","0.0001","5.512","0.0001","64.5994","0.0013","90","","90","","90","","1845.52","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C80 H88 N8 O16 -","4","1","","Bakija, Marija; Perić, Berislav; Kirin, Srećko I.","Oxazoline amino acid bioconjugates: one-pot synthesis and analysis of supramolecular interactions","New Journal of Chemistry","2024","48","19","8702","8719","10.1039/D4NJ00995A","","","1.54184","CuKα","","0.0878","0.0867","","","0.2856","0.2865","","","","","","1.161","","","","has coordinates","293207","2024-07-05","17:41:19",""
"7063130","6.4358","0.0002","8.0804","0.0003","16.438","0.0006","90","","98.198","0.003","90","","846.1","0.05","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H20 N2 O6 -","- C16 H20 N2 O6 -","- C32 H40 N4 O12 -","2","0.5","","Bakija, Marija; Perić, Berislav; Kirin, Srećko I.","Oxazoline amino acid bioconjugates: one-pot synthesis and analysis of supramolecular interactions","New Journal of Chemistry","2024","48","19","8702","8719","10.1039/D4NJ00995A","","","1.54184","CuKα","","0.0488","0.0483","","","0.1476","0.1483","","","","","","1.165","","","","has coordinates","293207","2024-07-05","17:41:19",""
"7063131","6.5044","0.0004","8.0195","0.0006","18.7137","0.0012","90","","95.141","0.006","90","","972.22","0.11","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H22 N2 O6 -","- C20 H22 N2 O6 -","- C40 H44 N4 O12 -","2","0.5","","Bakija, Marija; Perić, Berislav; Kirin, Srećko I.","Oxazoline amino acid bioconjugates: one-pot synthesis and analysis of supramolecular interactions","New Journal of Chemistry","2024","48","19","8702","8719","10.1039/D4NJ00995A","","","1.54184","CuKα","","0.0468","0.0416","","","0.1131","0.1413","","","","","","1.179","","","","has coordinates","293207","2024-07-05","17:41:19",""
"7063132","20.892","0.002","4.9926","0.0003","21.517","0.002","90","","111.246","0.012","90","","2091.8","0.4","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C96 H96 N8 O16 -","4","1","","Bakija, Marija; Perić, Berislav; Kirin, Srećko I.","Oxazoline amino acid bioconjugates: one-pot synthesis and analysis of supramolecular interactions","New Journal of Chemistry","2024","48","19","8702","8719","10.1039/D4NJ00995A","","","1.54184","CuKα","","0.0844","0.0671","","","0.1677","0.195","","","","","","1.06","","","","has coordinates","293207","2024-07-05","17:41:19",""
"7063133","18.807","0.0002","18.807","0.0002","19.0641","0.0005","90","","90","","90","","6743","0.2","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C37 H35 N3 O7 -","- C37 H35 N3 O7 -","- C296 H280 N24 O56 -","8","1","","Bakija, Marija; Perić, Berislav; Kirin, Srećko I.","Oxazoline amino acid bioconjugates: one-pot synthesis and analysis of supramolecular interactions","New Journal of Chemistry","2024","48","19","8702","8719","10.1039/D4NJ00995A","","","1.54184","CuKα","","0.0528","0.0419","","","0.102","0.1103","","","","","","1.038","","","","has coordinates","293207","2024-07-05","17:41:19",""
"7063134","18.864","0.0002","18.864","0.0002","19.6976","0.0004","90","","90","","90","","7009.4","0.18","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C37 H37 N3 O8 -","- C37 H37 N3 O8 -","- C296 H296 N24 O64 -","8","1","","Bakija, Marija; Perić, Berislav; Kirin, Srećko I.","Oxazoline amino acid bioconjugates: one-pot synthesis and analysis of supramolecular interactions","New Journal of Chemistry","2024","48","19","8702","8719","10.1039/D4NJ00995A","","","1.54184","CuKα","","0.1149","0.0852","","","0.2386","0.2762","","","","","","1.053","","","","has coordinates,has disorder","293207","2024-07-05","17:41:19",""
"7063135","30.3974","0.0008","15.2528","0.0004","22.3991","0.0009","90","","131.851","0.001","90","","7735.8","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H51 Cl N4 O2 -","- C43 H51 Cl N4 O2 -","- C344 H408 Cl8 N32 O16 -","8","1","","Zou, Jie; Pan, Yi; Zhang, Di; Zhang, Jie; Chen, Weilong; Sun, Hongyan; Lau, Kai-Chung; Luo, Jingdong","From byproducts to NLO-active dyes: catalyst-free transfer hydrogenation in the modular synthesis of merocyanines","New Journal of Chemistry","2024","48","19","8578","8588","10.1039/D4NJ00820K","","","1.54178","CuKα","","0.1141","0.0974","","","0.2699","0.2964","","","","","","1.143","","","","has coordinates,has disorder","293203","2024-07-05","17:39:46",""
"7063136","9","0.0002","10.1845","0.0002","22.4129","0.0005","102.547","0.001","92.908","0.001","106.702","0.001","1906.59","0.07","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H44 Cl4 N4 O2 -","- C40 H44 Cl4 N4 O2 -","- C80 H88 Cl8 N8 O4 -","2","1","","Zou, Jie; Pan, Yi; Zhang, Di; Zhang, Jie; Chen, Weilong; Sun, Hongyan; Lau, Kai-Chung; Luo, Jingdong","From byproducts to NLO-active dyes: catalyst-free transfer hydrogenation in the modular synthesis of merocyanines","New Journal of Chemistry","2024","48","19","8578","8588","10.1039/D4NJ00820K","","","1.54178","CuKα","","0.1103","0.0857","","","0.2457","0.2803","","","","","","1.008","","","","has coordinates,has disorder","293203","2024-07-05","17:39:46",""
"7063137","9.9554","0.0011","15.264","0.002","15.9425","0.0019","76.061","0.005","83.579","0.004","84.782","0.005","2331.4","0.5","233","2","233","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H48 Cl4 F2 N4 O2 -","- C50 H48 Cl4 F2 N4 O2 -","- C100 H96 Cl8 F4 N8 O4 -","2","1","","Zou, Jie; Pan, Yi; Zhang, Di; Zhang, Jie; Chen, Weilong; Sun, Hongyan; Lau, Kai-Chung; Luo, Jingdong","From byproducts to NLO-active dyes: catalyst-free transfer hydrogenation in the modular synthesis of merocyanines","New Journal of Chemistry","2024","48","19","8578","8588","10.1039/D4NJ00820K","","","0.71073","MoKα","","0.1268","0.0666","","","0.1564","0.1953","","","","","","1.029","","","","has coordinates,has disorder","293203","2024-07-05","17:39:46",""
"7063138","30.7033","0.0007","26.4439","0.0006","11.6452","0.0003","90","","111.377","0.001","90","","8804.4","0.4","218","2","218","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H45 Cl F2 N4 O2 -","- C49 H45 Cl F2 N4 O2 -","- C392 H360 Cl8 F16 N32 O16 -","8","1","","Zou, Jie; Pan, Yi; Zhang, Di; Zhang, Jie; Chen, Weilong; Sun, Hongyan; Lau, Kai-Chung; Luo, Jingdong","From byproducts to NLO-active dyes: catalyst-free transfer hydrogenation in the modular synthesis of merocyanines","New Journal of Chemistry","2024","48","19","8578","8588","10.1039/D4NJ00820K","","","1.54178","CuKα","","0.0594","0.0533","","","0.1636","0.1715","","","","","","1.062","","","","has coordinates,has disorder","293203","2024-07-05","17:39:46",""
"7063139","8.9704","0.0002","14.6873","0.0004","14.7777","0.0004","90","","97.741","0.001","90","","1929.23","0.09","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 N3 O2 -","- C22 H27 N3 O2 -","- C88 H108 N12 O8 -","4","1","","Wang, Fei; Zhang, Yi; Zhou, Wei; Long, Zhiqing; Xiong, Shenglun; Zhang, Qinpeng; Sessler, Jonathan L.; He, Qing","“One-pot” synthesis of oligopyrrolic dialdehydes","New Journal of Chemistry","2024","48","18","8153","8157","10.1039/D4NJ00933A","","","1.54178","CuKα","","0.0427","0.0369","","","0.0904","0.0956","","","","","","1.02","","","","has coordinates","293219","2024-07-05","17:46:13",""
"7063140","11.1718","0.0007","11.1929","0.0007","12.4287","0.0008","86.208","0.003","68.959","0.003","88.712","0.003","1447.34","0.16","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H39 N3 O3 -","- C34 H39 N3 O3 -","- C68 H78 N6 O6 -","2","1","","Wang, Fei; Zhang, Yi; Zhou, Wei; Long, Zhiqing; Xiong, Shenglun; Zhang, Qinpeng; Sessler, Jonathan L.; He, Qing","“One-pot” synthesis of oligopyrrolic dialdehydes","New Journal of Chemistry","2024","48","18","8153","8157","10.1039/D4NJ00933A","","","1.34139","GaKα","","0.0903","0.07","","","0.1408","0.1515","","","","","","1.111","","","","has coordinates","293219","2024-07-05","17:46:13",""
"7063141","8.6855","0.0007","9.154","0.0009","13.8725","0.0013","105.506","0.006","102.442","0.006","90.015","0.006","1035.89","0.17","150","","150","","","","","","","","","4","P -1","-P 1","2","","WF-3","","- C44 H56 N8 O6 -","- C44 H56 N8 O6 -","- C44 H56 N8 O6 -","1","0.5","","Wang, Fei; Zhang, Yi; Zhou, Wei; Long, Zhiqing; Xiong, Shenglun; Zhang, Qinpeng; Sessler, Jonathan L.; He, Qing","“One-pot” synthesis of oligopyrrolic dialdehydes","New Journal of Chemistry","2024","48","18","8153","8157","10.1039/D4NJ00933A","","","1.54178","CuKα","","0.1331","0.1186","","","0.2934","0.3077","","","","","","1.056","","","","has coordinates","293219","2024-07-05","17:46:13",""
"7063142","29.852","0.015","8.3792","0.0016","16.947","0.004","90","","106.99","0.03","90","","4054","2","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","WF-2","","- C22 H26 N4 O2 -","- C22 H26 N4 O2 -","- C176 H208 N32 O16 -","8","1","","Wang, Fei; Zhang, Yi; Zhou, Wei; Long, Zhiqing; Xiong, Shenglun; Zhang, Qinpeng; Sessler, Jonathan L.; He, Qing","“One-pot” synthesis of oligopyrrolic dialdehydes","New Journal of Chemistry","2024","48","18","8153","8157","10.1039/D4NJ00933A","","","1.54178","CuKα","","0.2199","0.1445","","","0.3864","0.4465","","","","","","1.069","","","","has coordinates","293219","2024-07-05","17:46:13",""
"7063143","14.386","0.006","7.518","0.005","22.733","0.012","90","","101.2","0.02","90","","2412","2","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","WF-5","","- C30 H31 N3 O2 -","- C30 H31 N3 O2 -","- C120 H124 N12 O8 -","4","1","","Wang, Fei; Zhang, Yi; Zhou, Wei; Long, Zhiqing; Xiong, Shenglun; Zhang, Qinpeng; Sessler, Jonathan L.; He, Qing","“One-pot” synthesis of oligopyrrolic dialdehydes","New Journal of Chemistry","2024","48","18","8153","8157","10.1039/D4NJ00933A","","","1.54178","CuKα","","0.0664","0.0465","","","0.112","0.1235","","","","","","1.064","","","","has coordinates","293219","2024-07-05","17:46:13",""
"7063144","12.272","0.0002","12.5331","0.0002","13.7088","0.0002","72.235","0.001","66.451","0.001","65.232","0.001","1730.9","0.05","173","","173","","","","","","","","","4","P -1","-P 1","2","","WF-X","","- C36 H47 N4 O4 -","- C36 H47 N4 O4 -","- C72 H94 N8 O8 -","2","1","","Wang, Fei; Zhang, Yi; Zhou, Wei; Long, Zhiqing; Xiong, Shenglun; Zhang, Qinpeng; Sessler, Jonathan L.; He, Qing","“One-pot” synthesis of oligopyrrolic dialdehydes","New Journal of Chemistry","2024","48","18","8153","8157","10.1039/D4NJ00933A","","","1.54178","CuKα","","0.0982","0.0677","","","0.169","0.1945","","","","","","1.044","","","","has coordinates,has disorder","293219","2024-07-05","17:46:13",""
"7063145","15.6411","0.0015","13.1656","0.001","11.8497","0.0012","90","","90.727","0.009","90","","2439.9","0.4","240","0.1","240","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C39 H50 Cu2 N6 O8 S2 -","- C39 H50 Cu2 N6 O8 S2 -","- C78 H100 Cu4 N12 O16 S4 -","2","0.5","","Ni, Tong; Zhang, Qin; Wang, Xiuyang; Xu, Bin; Zhou, Shengbin; Zhang, Kaiming; Jiang, Weidong","Micelle-modulated reactivity of novel copper(ii) complexes with reduced l-histidine Schiff bases as mimic carboxylesterases","New Journal of Chemistry","2024","48","18","8445","8453","10.1039/D4NJ00486H","","x-ray","1.54184","CuKα","","0.077","0.0634","","","0.1759","0.2008","","","","","","1.078","","","","has coordinates,has disorder","293216","2024-07-05","17:43:19",""
"7063146","19.0845","0.0002","14.0567","0.0002","35.0169","0.0003","90","","91.231","0.001","90","","9391.64","0.18","240.01","0.1","240.01","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C138 H167 Br8 Cu8 N37 O32 -","- C138 H167 Br8 Cu8 N37 O32 -","- C276 H334 Br16 Cu16 N74 O64 -","2","1","","Ni, Tong; Zhang, Qin; Wang, Xiuyang; Xu, Bin; Zhou, Shengbin; Zhang, Kaiming; Jiang, Weidong","Micelle-modulated reactivity of novel copper(ii) complexes with reduced l-histidine Schiff bases as mimic carboxylesterases","New Journal of Chemistry","2024","48","18","8445","8453","10.1039/D4NJ00486H","","x-ray","1.54184","CuKα","","0.0441","0.0408","","","0.1161","0.1197","","","","","","1.04","","","","has coordinates,has disorder","293216","2024-07-05","17:43:19",""
"7063147","9.7197","0.0007","9.7197","0.0007","13.8019","0.001","90","","90","","120","","1129.21","0.14","293","2","293","2","","","","","","","no","5","P -6","P -6","174","phosphate","'bismuth sodium phosphate '","","- Bi2.49 Cl Na2.51 O12 P3 -","- Bi2.495 Cl Na2.505 O12 P3 -","- Bi9.98 Cl4 Na10.02 O48 P12 -","4","0.666667","","Belokoneva, Elena L.; Volkov, Anatoly S.; Dimitrova, Olga V.; Stefanovich, Sergey Yu.; Govorko, Nadezhda B.","Hydrothermally synthesized first acentric apatite (Bi5Na5)[PO4]6Cl2 with wide Bi–Na isomorphism and doubled c-axis","New Journal of Chemistry","2024","48","17","7940","7945","10.1039/D4NJ00480A","","","0.71073","MoKα","","0.0494","0.0415","","","0.0804","0.0836","","","","","","1.066","","","","has coordinates","291670","2024-05-05","03:47:01",""
"7063148","11.6674","0.0008","7.3765","0.0005","11.8952","0.0007","90","","93.965","0.002","90","","1021.3","0.12","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 N10 O4 -","- C5 H6 N10 O4 -","- C20 H24 N40 O16 -","4","1","","Wang, Shaoqing; Li, Congcong; Li, Shaojia; Yin, Hongquan; Ma, Qing; Chen, Fu-Xue","A heat-resistant explosive featuring an N,N′-ethylene bridged 1,2,4-1H-triazole fused ring","New Journal of Chemistry","2024","48","17","7562","7565","10.1039/D4NJ00898G","","","0.71073","MoKα","","0.07","0.0457","","","0.1078","0.1232","","","","","","1.043","","","","has coordinates","291667","2024-05-05","03:45:52",""
"7063149","10.3159","0.0005","30.2698","0.0011","15.1352","0.0006","90","","103.948","0.003","90","","4586.8","0.3","193","2","193","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H20 F10 N2 -","- C39 H20 F10 N2 -","- C234 H120 F60 N12 -","6","3","","Cao, Jing; Zhang, Wenhao; Ding, Yeda; Zhang, Xuejin; Zhang, Yuanyuan; Qiao, Dan; Biao, Shumin; Dong, Xuefei; Song, Jiayi; Dai, Gaole; Zhao, Ruiguo; Wang, Qing","Perylene with peripherally fused pyrrole and pyridine: columnar packing, anti-Kasha dual emission and reactive oxygen species generation","New Journal of Chemistry","2024","48","20","9014","9019","10.1039/D4NJ01177E","","","1.34139","GaKα","","0.0699","0.0486","","","0.1133","0.1224","","","","","","1.054","","","","has coordinates","293211","2024-07-05","17:42:16",""
"7063150","11.2469","0.0003","12.7175","0.0003","9.8919","0.0003","90","","102.639","0.003","90","","1380.58","0.07","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 N4 O4 S2 Zn -","- C28 H30 N4 O4 S2 Zn -","- C56 H60 N8 O8 S4 Zn2 -","2","0.5","","Podjed, Nina; Košmrlj, Janez; Modec, Barbara","Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines","New Journal of Chemistry","2024","48","19","8844","8859","10.1039/D4NJ00235K","","x-ray","0.71073","MoKα","","0.0355","0.028","","","0.0648","0.0698","","","","","","1.037","","","","has coordinates","293205","2024-07-05","17:40:46",""
"7063151","7.6502","0.0002","13.4372","0.0004","14.9144","0.0004","82.689","0.002","80.642","0.002","76.138","0.002","1462.45","0.07","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C29 H31 N5 O5 S Zn -","- C27 H28 N4 O5 S Zn -","- C54 H56 N8 O10 S2 Zn2 -","2","1","","Podjed, Nina; Košmrlj, Janez; Modec, Barbara","Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines","New Journal of Chemistry","2024","48","19","8844","8859","10.1039/D4NJ00235K","","x-ray","0.71073","MoKα","","0.0395","0.0309","","","0.0725","0.0761","","","","","","1.032","","","","has coordinates","293205","2024-07-05","17:40:47",""
"7063152","10.5552","0.0004","12.0176","0.0005","13.4817","0.0006","72.156","0.004","86.674","0.003","86.036","0.003","1622.75","0.12","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C33 H41.5 N6.5 O4 Zn -","- C33 H41.5 N6.5 O4 Zn -","- C66 H83 N13 O8 Zn2 -","2","1","","Podjed, Nina; Košmrlj, Janez; Modec, Barbara","Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines","New Journal of Chemistry","2024","48","19","8844","8859","10.1039/D4NJ00235K","","x-ray","0.71073","MoKα","","0.0506","0.0371","","","0.0866","0.0948","","","","","","1.023","","","","has coordinates,has disorder","293205","2024-07-05","17:40:47",""
"7063153","7.9815","0.0001","12.012","0.0003","15.0991","0.0003","81.099","0.002","79.411","0.002","85.675","0.002","1404.17","0.05","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H31 N5 O4 Zn -","- C30 H31 N5 O4 Zn -","- C60 H62 N10 O8 Zn2 -","2","1","","Podjed, Nina; Košmrlj, Janez; Modec, Barbara","Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines","New Journal of Chemistry","2024","48","19","8844","8859","10.1039/D4NJ00235K","","x-ray","0.71073","MoKα","","0.0398","0.0309","","","0.0712","0.0758","","","","","","1.038","","","","has coordinates","293205","2024-07-05","17:40:47",""
"7063154","10.4859","0.0003","11.0143","0.0004","13.4761","0.0003","104.223","0.002","94.428","0.002","94.244","0.003","1497.23","0.08","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H38 N4 O4 Zn -","- C32 H38 N4 O4 Zn -","- C64 H76 N8 O8 Zn2 -","2","1","","Podjed, Nina; Košmrlj, Janez; Modec, Barbara","Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines","New Journal of Chemistry","2024","48","19","8844","8859","10.1039/D4NJ00235K","","x-ray","0.71073","MoKα","","0.0458","0.0333","","","0.0737","0.0815","","","","","","1.04","","","","has coordinates","293205","2024-07-05","17:40:47",""
"7063155","10.9883","0.0004","12.068","0.0005","17.4386","0.0006","90","","98.953","0.004","90","","2284.3","0.15","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 N4 O4 Zn -","- C25 H24 N4 O4 Zn -","- C100 H96 N16 O16 Zn4 -","4","1","","Podjed, Nina; Košmrlj, Janez; Modec, Barbara","Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines","New Journal of Chemistry","2024","48","19","8844","8859","10.1039/D4NJ00235K","","x-ray","0.71073","MoKα","","0.0615","0.0358","","","0.0753","0.0828","","","","","","0.937","","","","has coordinates","293205","2024-07-05","17:40:47",""
"7063156","7.9372","0.0002","11.9685","0.0004","15.1081","0.0004","79.394","0.003","79.461","0.002","82.938","0.002","1380.97","0.07","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H27 N5 O4 Zn -","- C27 H27 N5 O4 Zn -","- C54 H54 N10 O8 Zn2 -","2","1","","Podjed, Nina; Košmrlj, Janez; Modec, Barbara","Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines","New Journal of Chemistry","2024","48","19","8844","8859","10.1039/D4NJ00235K","","x-ray","0.71073","MoKα","","0.0494","0.0376","","","0.0935","0.1004","","","","","","1.034","","","","has coordinates","293205","2024-07-05","17:40:47",""
"7063157","7.9223","0.0004","22.5925","0.0013","15.2268","0.0008","90","","102.82","0.005","90","","2657.4","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 N5 O5 Zn -","- C28 H31 N5 O5 Zn -","- C112 H124 N20 O20 Zn4 -","4","1","","Podjed, Nina; Košmrlj, Janez; Modec, Barbara","Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines","New Journal of Chemistry","2024","48","19","8844","8859","10.1039/D4NJ00235K","","x-ray","0.71073","MoKα","","0.0918","0.0464","","","0.0766","0.0885","","","","","","0.994","","","","has coordinates","293205","2024-07-05","17:40:47",""
"7063158","8.571","0.0005","10.9044","0.0007","10.9382","0.0006","108.531","0.005","108.117","0.005","96.396","0.005","895.82","0.11","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H42 N8 O6 Zn -","- C36 H42 N8 O6 Zn -","- C36 H42 N8 O6 Zn -","1","0.5","","Podjed, Nina; Košmrlj, Janez; Modec, Barbara","Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines","New Journal of Chemistry","2024","48","19","8844","8859","10.1039/D4NJ00235K","","x-ray","0.71073","MoKα","","0.0479","0.0397","","","0.0796","0.0849","","","","","","1.059","","","","has coordinates","293205","2024-07-05","17:40:47",""
"7063159","7.6458","0.0002","15.0408","0.0004","16.2179","0.0004","72.152","0.002","81.18","0.002","80.559","0.002","1740.66","0.08","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C39 H39 N7 O4 Zn -","- C34 H32 N6 O4 Zn -","- C68 H64 N12 O8 Zn2 -","2","1","","Podjed, Nina; Košmrlj, Janez; Modec, Barbara","Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines","New Journal of Chemistry","2024","48","19","8844","8859","10.1039/D4NJ00235K","","x-ray","0.71073","MoKα","","0.0407","0.0319","","","0.0788","0.083","","","","","","1.045","","","","has coordinates","293205","2024-07-05","17:40:47",""
"7063160","10.4192","0.0002","14.5738","0.0004","20.2693","0.0005","78.682","0.002","87.613","0.002","86.401","0.002","3010.68","0.13","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C31 H37.5 N6.5 O4 Zn -","- C31 H37.5 N6.5 O4 Zn -","- C124 H150 N26 O16 Zn4 -","4","2","","Podjed, Nina; Košmrlj, Janez; Modec, Barbara","Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines","New Journal of Chemistry","2024","48","19","8844","8859","10.1039/D4NJ00235K","","x-ray","0.71073","MoKα","","0.0501","0.033","","","0.0807","0.0899","","","","","","1.024","","","","has coordinates","293205","2024-07-05","17:40:47",""
"7063161","13.6149","0.0001","10.8328","0.0001","25.0497","0.0003","90","","93.326","0.001","90","","3688.29","0.06","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H43 N7 O4 Zn -","- C42 H43 N7 O4 Zn -","- C168 H172 N28 O16 Zn4 -","4","1","","Podjed, Nina; Košmrlj, Janez; Modec, Barbara","Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines","New Journal of Chemistry","2024","48","19","8844","8859","10.1039/D4NJ00235K","","x-ray","1.54184","CuKα","","0.036","0.0315","","","0.0828","0.087","","","","","","1.033","","","","has coordinates,has disorder","293205","2024-07-05","17:40:47",""
"7063162","8.1567","0.0003","9.952","0.0004","15.1357","0.0006","77.896","0.004","78.984","0.003","84.021","0.003","1176.56","0.08","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24.66 H22.4 N5.34 O4.2 Zn -","- C24.6666 H22.3999 N5.3333 O4.2 Zn -","- C49.3332 H44.7998 N10.6666 O8.4 Zn2 -","2","1","","Podjed, Nina; Košmrlj, Janez; Modec, Barbara","Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines","New Journal of Chemistry","2024","48","19","8844","8859","10.1039/D4NJ00235K","","x-ray","0.71073","MoKα","","0.0529","0.0388","","","0.0825","0.0894","","","","","","1.036","","","","has coordinates,has disorder","293205","2024-07-05","17:40:47",""
"7063163","7.6949","0.0004","13.1323","0.0007","15.2125","0.0007","77.884","0.004","78.618","0.004","77.812","0.005","1450.17","0.13","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H29 N5 O5 Zn -","- C28 H29 N5 O5 Zn -","- C56 H58 N10 O10 Zn2 -","2","1","","Podjed, Nina; Košmrlj, Janez; Modec, Barbara","Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines","New Journal of Chemistry","2024","48","19","8844","8859","10.1039/D4NJ00235K","","x-ray","0.71073","MoKα","","0.0717","0.0473","","","0.0945","0.1052","","","","","","1.029","","","","has coordinates","293205","2024-07-05","17:40:47",""
"7063164","7.8233","0.0002","11.2495","0.0002","20.2794","0.0006","87.078","0.002","85.696","0.002","86.042","0.002","1773.59","0.08","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H46 N8 O6 Zn -","- C36 H46 N8 O6 Zn -","- C72 H92 N16 O12 Zn2 -","2","1","","Podjed, Nina; Košmrlj, Janez; Modec, Barbara","Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines","New Journal of Chemistry","2024","48","19","8844","8859","10.1039/D4NJ00235K","","x-ray","0.71073","MoKα","","0.0502","0.0374","","","0.0832","0.0899","","","","","","1.073","","","","has coordinates","293205","2024-07-05","17:40:47",""
"7063165","7.9641","0.0002","10.7052","0.0004","12.7812","0.0005","101.629","0.004","101.475","0.003","101.582","0.003","1012.52","0.07","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H50 N8 O6 Zn -","- C44 H50 N8 O6 Zn -","- C44 H50 N8 O6 Zn -","1","0.5","","Podjed, Nina; Košmrlj, Janez; Modec, Barbara","Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines","New Journal of Chemistry","2024","48","19","8844","8859","10.1039/D4NJ00235K","","x-ray","0.71073","MoKα","","0.0412","0.0335","","","0.0748","0.0801","","","","","","1.057","","","","has coordinates","293205","2024-07-05","17:40:47",""
"7063166","4.9628","0.0001","12.4177","0.0001","7.5022","0.0001","90","","100.98","0.001","90","","453.871","0.012","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H15 N3 O -","- C8 H15 N3 O -","- C16 H30 N6 O2 -","2","1","","Podjed, Nina; Košmrlj, Janez; Modec, Barbara","Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines","New Journal of Chemistry","2024","48","19","8844","8859","10.1039/D4NJ00235K","","x-ray","1.54184","CuKα","","0.0309","0.0307","","","0.079","0.0791","","","","","","1.056","","","","has coordinates","293205","2024-07-05","17:40:47",""
"7063167","13.7663","0.0004","7.4819","0.0002","17.7683","0.0005","90","","103.158","0.003","90","","1782.05","0.09","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 N8 O6 Zn -","- C36 H42 N8 O6 Zn -","- C72 H84 N16 O12 Zn2 -","2","0.5","","Podjed, Nina; Košmrlj, Janez; Modec, Barbara","Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines","New Journal of Chemistry","2024","48","19","8844","8859","10.1039/D4NJ00235K","","x-ray","1.54184","CuKα","","0.0562","0.0496","","","0.1363","0.1439","","","","","","1.072","","","","has coordinates","293205","2024-07-05","17:40:47",""
"7063168","9.9752","0.0003","11.1948","0.0003","14.1436","0.0004","90","","105.524","0.003","90","","1521.8","0.08","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 N6 O6 Zn -","- C32 H36 N6 O6 Zn -","- C64 H72 N12 O12 Zn2 -","2","0.5","","Podjed, Nina; Košmrlj, Janez; Modec, Barbara","Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines","New Journal of Chemistry","2024","48","19","8844","8859","10.1039/D4NJ00235K","","x-ray","0.71073","MoKα","","0.0384","0.0297","","","0.0674","0.0728","","","","","","1.055","","","","has coordinates","293205","2024-07-05","17:40:47",""
"7063169","11.269","0.0002","17.3987","0.0003","11.4134","0.0002","90","","115.978","0.002","90","","2011.68","0.07","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H50 N8 O6 Zn -","- C44 H50 N8 O6 Zn -","- C88 H100 N16 O12 Zn2 -","2","0.5","","Podjed, Nina; Košmrlj, Janez; Modec, Barbara","Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines","New Journal of Chemistry","2024","48","19","8844","8859","10.1039/D4NJ00235K","","x-ray","0.71073","MoKα","","0.0384","0.0297","","","0.0731","0.0791","","","","","","1.038","","","","has coordinates","293205","2024-07-05","17:40:47",""
"7063170","7.346","0.0002","13.6349","0.0003","15.732","0.0004","90.652","0.002","96.81","0.002","96.254","0.002","1554.85","0.07","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C64 H70 N14 O10 Zn2 -","- C64 H70 N14 O10 Zn2 -","- C64 H70 N14 O10 Zn2 -","1","0.5","","Podjed, Nina; Košmrlj, Janez; Modec, Barbara","Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines","New Journal of Chemistry","2024","48","19","8844","8859","10.1039/D4NJ00235K","","x-ray","0.71073","MoKα","","0.0535","0.0368","","","0.0878","0.0969","","","","","","1.038","","","","has coordinates","293205","2024-07-05","17:40:47",""
"7063171","10.5815","0.0004","12.3264","0.0005","13.5644","0.0006","86.699","0.004","87.372","0.003","82.306","0.003","1749.09","0.12","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H42 N8 O6 Zn -","- C36 H42 N8 O6 Zn -","- C72 H84 N16 O12 Zn2 -","2","1","","Podjed, Nina; Košmrlj, Janez; Modec, Barbara","Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines","New Journal of Chemistry","2024","48","19","8844","8859","10.1039/D4NJ00235K","","x-ray","0.71073","MoKα","","0.0734","0.0395","","","0.073","0.082","","","","","","0.965","","","","has coordinates","293205","2024-07-05","17:40:47",""
"7063172","17.1","0.03","15.16","0.04","22.21","0.04","90","","90","","90","","5758","2","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H49 B12 N O2 -","- C18 H49 B12 N O2 -","- C144 H392 B96 N8 O16 -","8","1","","Kolbunova, Anastasia V.; Klyukin, Ilya N.; Novikov, Alexander S.; Nelyubin, Alexey V.; Zhdanov, Andrey P.; Kubasov, Alexey S.; Selivanov, Nikita A.; Bykov, Alexander Yu.; Zhizhin, Konstantin Yu.; Kuznetsov, Nikolay T.","Carboxonium derivatives based on closo-dodecaborate anions [1,2-B12H10O2CR]−: synthesis and molecular orbital analysis","New Journal of Chemistry","2024","48","18","8361","8370","10.1039/D4NJ01048E","","","0.71073","MoKα","","0.1093","0.0621","","","0.1461","0.1755","","","","","","1.015","","","","has coordinates,has disorder","293217","2024-07-05","17:43:38",""
"7063173","9.167","0.006","21.48","0.03","14.716","0.016","90","","95.05","0.04","90","","2886","5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H51 B12 N O2 -","- C19 H51 B12 N O2 -","- C76 H204 B48 N4 O8 -","4","1","","Kolbunova, Anastasia V.; Klyukin, Ilya N.; Novikov, Alexander S.; Nelyubin, Alexey V.; Zhdanov, Andrey P.; Kubasov, Alexey S.; Selivanov, Nikita A.; Bykov, Alexander Yu.; Zhizhin, Konstantin Yu.; Kuznetsov, Nikolay T.","Carboxonium derivatives based on closo-dodecaborate anions [1,2-B12H10O2CR]−: synthesis and molecular orbital analysis","New Journal of Chemistry","2024","48","18","8361","8370","10.1039/D4NJ01048E","","","1.54184","CuKα","","0.1103","0.1063","","","0.3803","0.3888","","","","","","1.904","","","","has coordinates,has disorder","293217","2024-07-05","17:43:38",""
"7063174","17.052","0.006","11.397","0.002","16.762","0.004","90","","107.565","0.014","90","","3105.7","1.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H51 B12 N O2 -","- C23 H51 B12 N O2 -","- C92 H204 B48 N4 O8 -","4","1","","Kolbunova, Anastasia V.; Klyukin, Ilya N.; Novikov, Alexander S.; Nelyubin, Alexey V.; Zhdanov, Andrey P.; Kubasov, Alexey S.; Selivanov, Nikita A.; Bykov, Alexander Yu.; Zhizhin, Konstantin Yu.; Kuznetsov, Nikolay T.","Carboxonium derivatives based on closo-dodecaborate anions [1,2-B12H10O2CR]−: synthesis and molecular orbital analysis","New Journal of Chemistry","2024","48","18","8361","8370","10.1039/D4NJ01048E","","","0.71073","MoKα","","0.0637","0.0523","","","0.1218","0.127","","","","","","1.116","","","","has coordinates","293217","2024-07-05","17:43:38",""
"7063175","9.3412","0.0009","21.862","0.0017","14.5823","0.0015","90","","95.341","0.004","90","","2965","0.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H52 B12 N O2 -","- C20 H52 B12 N O2 -","- C80 H208 B48 N4 O8 -","4","1","","Kolbunova, Anastasia V.; Klyukin, Ilya N.; Novikov, Alexander S.; Nelyubin, Alexey V.; Zhdanov, Andrey P.; Kubasov, Alexey S.; Selivanov, Nikita A.; Bykov, Alexander Yu.; Zhizhin, Konstantin Yu.; Kuznetsov, Nikolay T.","Carboxonium derivatives based on closo-dodecaborate anions [1,2-B12H10O2CR]−: synthesis and molecular orbital analysis","New Journal of Chemistry","2024","48","18","8361","8370","10.1039/D4NJ01048E","","","0.71073","MoKα","","0.1382","0.1037","","","0.2612","0.2904","","","","","","1.025","","","","has coordinates,has disorder","293217","2024-07-05","17:43:38",""
"7063176","5.4015","0.0008","14.376","0.002","14.421","0.002","90","","94.264","0.007","90","","1116.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H20 N O5 -","- C9 H20 N O5 -","- C36 H80 N4 O20 -","4","1","","Lepcha, Gerald; Pal, Indrajit; Majumdar, Santanu; Dhasmana, Yogesh; Mondal, Sanjay; Zangrando, Ennio; Chopra, Deepak; Dey, Biswajit","Solvent and stoichiometry-dependent versatile organogelation and robust crystallization from the supramolecular association of adipic acid and triethanolamine","New Journal of Chemistry","2024","48","20","9322","9332","10.1039/D4NJ00559G","","","0.71073","MoKα","","0.0525","0.0465","","","0.1374","0.1437","","","","","","1.041","","","","has coordinates","293214","2024-07-05","17:42:47",""
"7063177","5.3882","0.0002","14.1701","0.0004","14.4214","0.0004","90","","95.402","0.001","90","","1096.2","0.06","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H40 N2 O10 -","- C18 H40 N2 O10 -","- C36 H80 N4 O20 -","2","0.5","","Lepcha, Gerald; Pal, Indrajit; Majumdar, Santanu; Dhasmana, Yogesh; Mondal, Sanjay; Zangrando, Ennio; Chopra, Deepak; Dey, Biswajit","Solvent and stoichiometry-dependent versatile organogelation and robust crystallization from the supramolecular association of adipic acid and triethanolamine","New Journal of Chemistry","2024","48","20","9322","9332","10.1039/D4NJ00559G","","","1.54178","CuKα","","0.0389","0.0338","","","0.0764","0.0787","","","","","","1.02","","","","has coordinates","293214","2024-07-05","17:42:48",""
"7063178","7.7915","0.0001","12.8038","0.0001","17.2663","0.0002","90","","90","","90","","1722.5","0.03","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","1","","Gond, Kavyashree Kuppayya; Maddani, Mahagundappa Rachappa","Facile synthesis of spiro-pyrazolone-tetrahydrofurans/pyrans: ipso-cyclization of arylidene pyrazolones with haloalcohols","New Journal of Chemistry","2024","48","19","8667","8671","10.1039/D4NJ00447G","","","1.54184","CuKα","","0.0385","0.0349","","","0.0908","0.0942","","","","","","1.06","","","","has coordinates","293206","2024-07-05","17:40:57",""
"7063179","21.8407","0.0005","6.7167","0.0001","24.668","0.0007","90","","109.105","0.003","90","","3419.41","0.15","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C3.17 H2.67 Br0.17 N0.33 O0.33 -","- C3.16667 H2.66667 Br0.166667 N0.333333 O0.333333 -","- C152 H128 Br8 N16 O16 -","48","6","","Gond, Kavyashree Kuppayya; Maddani, Mahagundappa Rachappa","Facile synthesis of spiro-pyrazolone-tetrahydrofurans/pyrans: ipso-cyclization of arylidene pyrazolones with haloalcohols","New Journal of Chemistry","2024","48","19","8667","8671","10.1039/D4NJ00447G","","","1.54184","CuKα","","0.0676","0.0582","","","0.17","0.178","","","","","","1.064","","","","has coordinates","293206","2024-07-05","17:40:57",""
"7063180","11.1333","0.001","11.4934","0.001","22.104","0.002","90","","91.27","0.004","90","","2827.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H29 F N4 O3 -","- C36 H29 F N4 O2 -","- C144 H116 F4 N16 O8 -","4","1","","Baddepuri, Sravanthi; Gamidi, Rama Krishna; Kumari, Jyothi; Sriram, Dharmarajan; Basavoju, Srinivas","Ultrasound-assisted ionic liquid-mediated green method for synthesis of 1,3-diphenylpyrazole-based spirooxindolopyrrolizidines, their anti-tubercular activity, molecular docking study and ADME predictions","New Journal of Chemistry","2024","48","22","9970","9980","10.1039/D4NJ00563E","","","0.71073","MoKα","","0.0472","0.0414","","","0.0989","0.1027","","","","","","1.066","","","","has coordinates","293193","2024-07-05","17:37:06",""
"7063181","10.8378","0.0011","7.4709","0.0007","15.5056","0.0015","90","","103.094","0.003","90","","1222.8","0.2","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3a","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","Jat, Ram Singh; Singh, Gautami; Bhanuchandra, M.","KHMDS mediated ring-opening/reconstruction of anthranils with arylacetonitriles: synthesis of multisubstituted 2-aminoquinoline N-oxides","New Journal of Chemistry","2024","48","19","8574","8577","10.1039/D4NJ00311J","","","0.71073","MoKα","","0.0894","0.0708","","","0.1826","0.1948","","","","","","1.175","","","","has coordinates","293208","2024-07-05","17:41:30",""
"7063182","7.2658","0.0002","7.9217","0.0002","29.7691","0.001","90","","90","","90","","1713.43","0.09","299","2","299","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3ia","","- C21 H15 Cl N2 O -","- C21 H15 Cl N2 O -","- C84 H60 Cl4 N8 O4 -","4","1","","Jat, Ram Singh; Singh, Gautami; Bhanuchandra, M.","KHMDS mediated ring-opening/reconstruction of anthranils with arylacetonitriles: synthesis of multisubstituted 2-aminoquinoline N-oxides","New Journal of Chemistry","2024","48","19","8574","8577","10.1039/D4NJ00311J","","","0.71073","MoKα","","0.0383","0.0373","","","0.0894","0.09","","","","","","1.154","","","","has coordinates","293208","2024-07-05","17:41:30",""
"7063183","15.8116","0.0009","7.3706","0.0004","20.2225","0.0011","90","","111.506","0.002","90","","2192.7","0.2","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N3 O Se -","- C26 H21 N3 O Se -","- C104 H84 N12 O4 Se4 -","4","1","","Choudhuri, Tathagata; Paul, Suvam; Sikdar, Papiya; Das, Sourav; Sawant, Sanghapal D.; Bagdi, Avik Kumar","I2-Catalyzed three-component synthesis of 3-selenylated pyrazolo[1,5-a]pyrimidines","New Journal of Chemistry","2024","48","21","9480","9485","10.1039/D3NJ05847F","","","0.71073","MoKα","","0.0535","0.0405","","","0.148","0.1612","","","","","","1.276","","","","has coordinates","293229","2024-07-05","17:48:05",""
"7063184","14.043","0.0013","10.9134","0.001","10.1076","0.001","90","","116.942","0.003","90","","1380.9","0.2","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H24 Br4 N2 Ni O2 -","- C30 H24 Br4 N2 Ni O2 -","- C60 H48 Br8 N4 Ni2 O4 -","2","0.5","","Das, Arpita; Maity, Ribhu; Sarkar, Tuhin; Das, Priyanka; Brandao, Paula; Maity, Tithi; Sarkar, Keka; Samanta, Bidhan Chandra","Synthesis, crystal structure, lipophilicity, antioxidant activity, binding interactions, and antibacterial activity against methicillin-resistant Staphylococcus aureus of a Ni(ii) Schiff base complex: combined theoretical and experimental approaches","New Journal of Chemistry","2024","48","22","10226","10238","10.1039/D3NJ05150A","","","0.71073","MoKα","","0.0472","0.0414","","","0.1011","0.1043","","","","","","1.084","","","","has coordinates","293192","2024-07-05","17:36:59",""
"7063185","7.4062","0.0004","7.8098","0.0005","10.9025","0.0006","101.137","0.002","93.235","0.002","96.394","0.002","612.92","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H13 N O -","- C16 H13 N O -","- C32 H26 N2 O2 -","2","1","","Altia, Minakshi; Anbarasan, Pazhamalai","α-Hydroxydimethylacetal/ketal as an α-hydroxycarbonyl equivalent in interrupted Heyns/Amadori rearrangement: regioselective synthesis of substituted C2- and C3-acylindoles","New Journal of Chemistry","2024","48","22","9981","9989","10.1039/D4NJ00771A","","","0.71073","MoKα","","0.0832","0.0575","","","0.1773","0.2091","","","","","","1.013","","","","has coordinates","293188","2024-07-05","17:35:36",""
"7063186","13.5293","0.0007","7.3263","0.0003","19.0986","0.0009","90","","99.741","0.003","90","","1865.75","0.15","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H11 N O -","- C11 H11 N O -","- C88 H88 N8 O8 -","8","1","","Altia, Minakshi; Anbarasan, Pazhamalai","α-Hydroxydimethylacetal/ketal as an α-hydroxycarbonyl equivalent in interrupted Heyns/Amadori rearrangement: regioselective synthesis of substituted C2- and C3-acylindoles","New Journal of Chemistry","2024","48","22","9981","9989","10.1039/D4NJ00771A","","","1.54178","CuKα","","0.0693","0.0568","","","0.1576","0.1763","","","","","","1.065","","","","has coordinates","293188","2024-07-05","17:35:36",""
"7063187","8.6408","0.0005","9.9341","0.0005","10.3685","0.0005","98.203","0.002","101.166","0.002","103.107","0.002","834.05","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 Br N O -","- C21 H14 Br N O -","- C42 H28 Br2 N2 O2 -","2","1","","Altia, Minakshi; Anbarasan, Pazhamalai","α-Hydroxydimethylacetal/ketal as an α-hydroxycarbonyl equivalent in interrupted Heyns/Amadori rearrangement: regioselective synthesis of substituted C2- and C3-acylindoles","New Journal of Chemistry","2024","48","22","9981","9989","10.1039/D4NJ00771A","","","0.71073","MoKα","","0.039","0.0302","","","0.0727","0.0769","","","","","","1.04","","","","has coordinates","293188","2024-07-05","17:35:36",""
"7063188","8.2703","0.0007","9.9089","0.001","12.7807","0.0013","71.309","0.003","73.3","0.003","76.991","0.003","940.02","0.16","298","","298","","","","","","","","","6","P -1","-P 1","2","","dmdptz-CuCl2","","- C16 H18 Cl2 Cu N6 O -","- C16 H18 Cl2 Cu N6 O -","- C32 H36 Cl4 Cu2 N12 O2 -","2","1","","Roy, Indrajit; Muley, Arabinda; Mathur, Shobhit; Verma, Anushka; Kumawat, Manoj Kumar; Maji, Somnath","Triazine-based mononuclear copper(ii) cis-dichloro and dibromo complexes as functional biomimetic model systems for phenoxazinone synthase and catecholase activities","New Journal of Chemistry","2024","48","26","11647","11661","10.1039/D4NJ01025F","","","0.71073","MoKα","","0.0359","0.0312","","","0.083","0.0866","","","","","","1.049","","","","has coordinates","293201","2024-07-05","17:38:55",""
"7063189","11.651","0.011","8.625","0.008","17.945","0.016","90","","93.08","0.04","90","","1801","3","298","2","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","dmdptz-Cu-Br2","","- C15 H16 Br2 Cu N6 O -","- C15 H16 Br2 Cu N6 O -","- C60 H64 Br8 Cu4 N24 O4 -","4","1","","Roy, Indrajit; Muley, Arabinda; Mathur, Shobhit; Verma, Anushka; Kumawat, Manoj Kumar; Maji, Somnath","Triazine-based mononuclear copper(ii) cis-dichloro and dibromo complexes as functional biomimetic model systems for phenoxazinone synthase and catecholase activities","New Journal of Chemistry","2024","48","26","11647","11661","10.1039/D4NJ01025F","","","0.71073","MoKα","","0.1096","0.0498","","","0.0813","0.0981","","","","","","1.009","","","","has coordinates","293201","2024-07-05","17:38:55",""
"7063190","10.6964","0.0004","15.0127","0.0007","33.7803","0.0014","90","","92.748","0.004","90","","5418.3","0.4","103","1","103","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C97 H33 N2 -","- C97 H33 N2 -","- C388 H132 N8 -","4","1","","Sobov, Pavel A.; Faraonov, Maxim A.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Monomers and dimers of fullerenes in the radical anion salts with dyes, (astrophloxine+)2(C60˙−)2 and (astrophloxine+)2(C70−)2: suppression of the C60˙− dimerization by π-stacking","New Journal of Chemistry","2024","48","22","10002","10009","10.1039/D4NJ01402B","","x-ray","0.71073","MoKα","","0.1852","0.0819","","","0.1223","0.1603","","","","","","1.023","","","","has coordinates","293189","2024-07-05","17:36:00",""
"7063191","13.9175","0.0003","19.587","0.0004","20.4465","0.0005","89.537","0.002","85.172","0.002","88.474","0.002","5551.9","0.2","103","1","103","1","","","","","","","","4","P -1","-P 1","2","","","","- C186 H84 Cl2 N4 -","- C186 H84 Cl2 N4 -","- C372 H168 Cl4 N8 -","2","1","","Sobov, Pavel A.; Faraonov, Maxim A.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Monomers and dimers of fullerenes in the radical anion salts with dyes, (astrophloxine+)2(C60˙−)2 and (astrophloxine+)2(C70−)2: suppression of the C60˙− dimerization by π-stacking","New Journal of Chemistry","2024","48","22","10002","10009","10.1039/D4NJ01402B","","x-ray","0.71073","MoKα","","0.1324","0.0748","","","0.1678","0.2012","","","","","","1.027","","","","has coordinates,has disorder","293189","2024-07-05","17:36:01",""
"7063192","7.6526","0.001","22.902","0.003","13.4603","0.0017","90","","95.463","0.007","90","","2348.3","0.5","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 Cl N6 O5 Zn -","- C21 H23 Cl N6 O5 Zn -","- C84 H92 Cl4 N24 O20 Zn4 -","4","1","","Singh, Simranjeet; Choudhary, Mukesh","Synthesis of Zn(ii) coordination complexes, their molecular design and docking with SARS-CoV-2 RBD protein and Omicron spike protein","New Journal of Chemistry","2024","48","20","9287","9313","10.1039/D3NJ04714H","","","1.54178","CuKα","","0.0457","0.0378","","","0.0936","0.1014","","","","","","1.025","","","","has coordinates,has disorder","293212","2024-07-05","17:42:24",""
"7063193","11.1706","0.0007","16.9294","0.0008","17.7601","0.001","90","","98.832","0.002","90","","3318.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H30 N8 O2 Zn -","- C38 H30 N8 O2 Zn -","- C152 H120 N32 O8 Zn4 -","4","1","","Singh, Simranjeet; Choudhary, Mukesh","Synthesis of Zn(ii) coordination complexes, their molecular design and docking with SARS-CoV-2 RBD protein and Omicron spike protein","New Journal of Chemistry","2024","48","20","9287","9313","10.1039/D3NJ04714H","","","0.71073","MoKα","","0.0395","0.0313","","","0.0768","0.0848","","","","","","1.09","","","","has coordinates","293212","2024-07-05","17:42:25",""
"7063194","11.832","0.015","10.309","0.012","7.057","0.008","100.36","0.11","103.78","0.09","73.31","0.11","795","1.7","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H6 Cl N6 O9 Ru -","- C8 H6 Cl N6 O9 Ru -","- C16 H12 Cl2 N12 O18 Ru2 -","2","1","","Alhadhrami, Abdulrahman","Nano-crystallites of a ruthenium(iii) violurate complex: synthesis, characterization, PXRD and DFT structural analysis. DNA/HSA-binding, antiviral activity against COVID-19 and molecular docking study","New Journal of Chemistry","2024","48","21","9718","9737","10.1039/D4NJ00670D","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.22294","1.21112","","","","","","","has coordinates","293230","2024-07-05","17:48:13",""
"7063195","17.4123","0.0009","17.6371","0.0008","14.0413","0.001","90","","108.348","0.007","90","","4092.9","0.4","150","2","149.9","0.7","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H44 Co F6 N2 P3 S4 -","- C36 H44 Co F6 N2 P3 S4 -","- C144 H176 Co4 F24 N8 P12 S16 -","4","0.5","","Srivastava, Devyani; Kushwaha, Aparna; Sudheer,; Kociok-Köhn, Gabriele; Singh, Ashish Kumar; Muddassir, Mohd.; Kumar, Abhinav","1,2-Bis-(diphenylphosphino)ethane (dppe) appended cobalt(iii)-dithiocarbamates as single source precursors of cobalt sulfide/cobalt phosphide composites: apt electrocatalytic materials for water splitting reactions","New Journal of Chemistry","2024","48","20","9366","9375","10.1039/D4NJ01285B","","x-ray","0.71073","MoKα","","0.0871","0.06","","","0.1242","0.1417","","","","","","1.047","","","","has coordinates,has disorder","293213","2024-07-05","17:42:38",""
"7063196","16.504","0.0005","16.1848","0.0003","18.6771","0.0005","90","","116.071","0.003","90","","4481.3","0.2","150","2","149.9","0.7","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C40 H52 Co F6 N2 P3 S4 -","- C40 H52 Co F6 N2 P3 S4 -","- C160 H208 Co4 F24 N8 P12 S16 -","4","0.5","","Srivastava, Devyani; Kushwaha, Aparna; Sudheer,; Kociok-Köhn, Gabriele; Singh, Ashish Kumar; Muddassir, Mohd.; Kumar, Abhinav","1,2-Bis-(diphenylphosphino)ethane (dppe) appended cobalt(iii)-dithiocarbamates as single source precursors of cobalt sulfide/cobalt phosphide composites: apt electrocatalytic materials for water splitting reactions","New Journal of Chemistry","2024","48","20","9366","9375","10.1039/D4NJ01285B","","x-ray","0.71073","MoKα","","0.0563","0.0437","","","0.0992","0.1091","","","","","","1.058","","","","has coordinates,has disorder","293213","2024-07-05","17:42:38",""
"7063197","12.2405","0.0003","13.8324","0.0005","16.1225","0.0005","71.561","0.003","84.15","0.002","89.844","0.002","2574.9","0.15","250","2","249.9","0.4","","","","","","","","7","P -1","-P 1","2","","","","- C44 H60 Co F6 N2 P3 S4 -","- C44 H60 Co F6 N2 P3 S4 -","- C88 H120 Co2 F12 N4 P6 S8 -","2","1","","Srivastava, Devyani; Kushwaha, Aparna; Sudheer,; Kociok-Köhn, Gabriele; Singh, Ashish Kumar; Muddassir, Mohd.; Kumar, Abhinav","1,2-Bis-(diphenylphosphino)ethane (dppe) appended cobalt(iii)-dithiocarbamates as single source precursors of cobalt sulfide/cobalt phosphide composites: apt electrocatalytic materials for water splitting reactions","New Journal of Chemistry","2024","48","20","9366","9375","10.1039/D4NJ01285B","","x-ray","0.71073","MoKα","","0.0634","0.046","","","0.1127","0.1254","","","","","","1.045","","","","has coordinates,has disorder","293213","2024-07-05","17:42:38",""
"7063198","6.5833","0.0013","13.825","0.004","24.715","0.009","90","","91.627","0.009","90","","2248.5","1.1","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C112 H80 N16 O8 -","8","2","","Baskar, Shyamvarnan; Kole, Goutam Kumar","3-Pyridylvinyl benzoxazole-derived multifunctional organic materials—from solid-state photoreactivity to photophysical and electrochemical properties","New Journal of Chemistry","2024","48","22","10213","10225","10.1039/D4NJ00190G","","","0.71073","MoKα","","0.0648","0.0518","","","0.1146","0.1215","","","","","","1.121","","","","has coordinates,has disorder","293194","2024-07-05","17:37:18",""
"7063199","7.203","0.003","16.679","0.007","13.419","0.006","90","","92.582","0.014","90","","1610.5","1.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 I N2 O3 -","- C15 H13 I N2 O3 -","- C60 H52 I4 N8 O12 -","4","1","","Baskar, Shyamvarnan; Kole, Goutam Kumar","3-Pyridylvinyl benzoxazole-derived multifunctional organic materials—from solid-state photoreactivity to photophysical and electrochemical properties","New Journal of Chemistry","2024","48","22","10213","10225","10.1039/D4NJ00190G","","","0.71073","MoKα","","0.1226","0.0957","","","0.2216","0.2344","","","","","","1.089","","","","has coordinates,has disorder","293194","2024-07-05","17:37:19",""
"7063200","6.6963","0.0006","7.3887","0.0006","17.6221","0.0016","80.201","0.003","81.214","0.003","76.968","0.003","831.08","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H13 F3 N2 O4 S -","- C16 H13 F3 N2 O4 S -","- C32 H26 F6 N4 O8 S2 -","2","1","","Baskar, Shyamvarnan; Kole, Goutam Kumar","3-Pyridylvinyl benzoxazole-derived multifunctional organic materials—from solid-state photoreactivity to photophysical and electrochemical properties","New Journal of Chemistry","2024","48","22","10213","10225","10.1039/D4NJ00190G","","","0.71073","MoKα","","0.0579","0.0517","","","0.1318","0.1371","","","","","","1.074","","","","has coordinates,has disorder","293194","2024-07-05","17:37:19",""
"7063201","6.4328","0.0015","9.342","0.003","9.841","0.003","105.347","0.008","105.02","0.007","91.233","0.006","548.2","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H20 N4 O2 -","- C28 H20 N4 O2 -","- C28 H20 N4 O2 -","1","0.5","","Baskar, Shyamvarnan; Kole, Goutam Kumar","3-Pyridylvinyl benzoxazole-derived multifunctional organic materials—from solid-state photoreactivity to photophysical and electrochemical properties","New Journal of Chemistry","2024","48","22","10213","10225","10.1039/D4NJ00190G","","","0.71073","MoKα","","0.0489","0.0405","","","0.092","0.0975","","","","","","1.1","","","","has coordinates,has disorder","293194","2024-07-05","17:37:19",""
"7063202","18.8458","0.0006","29.6617","0.0011","27.42","0.0011","90","","90","","90","","15327.7","1","150","0.14","150.15","","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C71 H43 Cl20 Cr Fe N8 O2 Sn -","- C59 H35 Cl16 Cr Fe N8 O2 Sn -","- C472 H280 Cl128 Cr8 Fe8 N64 O16 Sn8 -","8","1","","Finogenov, Daniil N.; Faraonov, Maxim A.; Kopylova, Alina S.; Ivanov, Timur E.; Romanenko, Nikita R.; Yakushev, Ilya A.; Konarev, Dmitri V.; Stuzhin, Pavel A.","Perchlorinated vanadyl tetrapyrazinoporphyrazine: spectral, redox and magnetic properties","New Journal of Chemistry","2024","48","22","10067","10073","10.1039/D4NJ01145G","","","0.71073","MoKα","","0.1562","0.097","","","0.2385","0.2776","","","","","","1.029","","","","has coordinates","293186","2024-07-05","17:35:14",""
"7063203","14.4868","0.0003","15.5221","0.0005","22.5994","0.0006","75.521","0.002","80.754","0.002","84.376","0.002","4847.6","0.2","100.04","0.11","100.04","0.11","","","","","","","","4","P -1","-P 1","2","","1,1',3,3'-PhtBu-4,4?-BBT","","- C57 H60 Cl2 S2 -","- C57 H60 Cl2 S2 -","- C228 H240 Cl8 S8 -","4","2","","Hara, Yasuto; Kozuka, Kumpei; Imato, Keiichi; Akiyama, Seiji; Ishida, Mio; Ooyama, Yousuke","Synthesis, and optical and electrochemical properties of 1,1′,3,3′-tetraaryl-4,4′-bibenzo[c]thiophene derivatives with the same or different aryl substituents on the thiophene rings","New Journal of Chemistry","2024","48","22","9890","9898","10.1039/D4NJ01350F","","x-ray","0.71073","MoKα","","0.0922","0.0623","","","0.1496","0.1634","","","","","","1.015","","","","has coordinates,has disorder","293191","2024-07-05","17:36:52",""
"7063204","12.8621","0.0007","14.6778","0.0008","17.1404","0.0009","76.085","0.002","70.053","0.002","81.249","0.002","2943.8","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C129.5 H84 Cu6 N30 O17.5 -","- C128 H78 Cu6 N30 O16 -","- C128 H78 Cu6 N30 O16 -","1","0.5","","Bracken, Matthew L.; Fernandes, Manuel A.; Wamwangi, Daniel; Munro, Orde Q.","Structural basis for Cu(ii) metallocycle hexamer formation","New Journal of Chemistry","2024","48","20","8994","8999","10.1039/D4NJ01330A","","","0.71073","MoKα","","0.0525","0.0361","","","0.0873","0.1","","","","","","1.083","","","","has coordinates","293215","2024-07-05","17:43:00",""
"7063205","10.8162","0.0011","17.0096","0.0016","17.4195","0.0016","106.572","0.005","100.636","0.005","107.752","0.005","2793","0.5","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C121 H112 Cu6 N18 O23 -","- C116 H92 Cu6 N18 O18 -","- C116 H92 Cu6 N18 O18 -","1","0.5","","Bracken, Matthew L.; Fernandes, Manuel A.; Wamwangi, Daniel; Munro, Orde Q.","Structural basis for Cu(ii) metallocycle hexamer formation","New Journal of Chemistry","2024","48","20","8994","8999","10.1039/D4NJ01330A","","","0.71073","MoKα","","0.1488","0.0681","","","0.1446","0.1855","","","","","","1.038","","","","has coordinates","293215","2024-07-05","17:43:00",""
"7063206","14.4764","0.0011","15.1477","0.0011","16.438","0.001","106.667","0.003","95.92","0.003","110.424","0.003","3152.1","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C138 H88 Cu6 N36 O14 -","- C138 H88 Cu6 N36 O14 -","- C138 H88 Cu6 N36 O14 -","1","0.5","","Bracken, Matthew L.; Fernandes, Manuel A.; Wamwangi, Daniel; Munro, Orde Q.","Structural basis for Cu(ii) metallocycle hexamer formation","New Journal of Chemistry","2024","48","20","8994","8999","10.1039/D4NJ01330A","","","0.71073","MoKα","","0.0703","0.0482","","","0.1261","0.1448","","","","","","1.083","","","","has coordinates","293215","2024-07-05","17:43:00",""
"7063207","5.9603","0.0013","16.543","0.003","16.323","0.004","90","","91.415","0.005","90","","1609","0.6","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","1","","İnci Özbağcı, Duygu; İlkar Erdağı, Sevinç; Aydın, İpek; Aydın, Rahmiye; Zorlu, Yunus; Arı, Ferda","A comparative study on the synthesis and crystal structures of Ni(ii) complexes bearing tetradentate N2O2 donor Schiff bases: biomolecular interactions, cytotoxicities and molecular docking","New Journal of Chemistry","2024","48","23","10475","10496","10.1039/D4NJ01051E","","","0.71073","MoKα","","0.1031","0.047","","","0.0956","0.1162","","","","","","1.029","","","","has coordinates","293224","2024-07-05","17:47:21",""
"7063208","5.4386","0.0012","16.592","0.004","17.27","0.004","90","","90","","90","","1558.4","0.6","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 N2 Ni O2 -","- C20 H14 N2 Ni O2 -","- C80 H56 N8 Ni4 O8 -","4","1","","İnci Özbağcı, Duygu; İlkar Erdağı, Sevinç; Aydın, İpek; Aydın, Rahmiye; Zorlu, Yunus; Arı, Ferda","A comparative study on the synthesis and crystal structures of Ni(ii) complexes bearing tetradentate N2O2 donor Schiff bases: biomolecular interactions, cytotoxicities and molecular docking","New Journal of Chemistry","2024","48","23","10475","10496","10.1039/D4NJ01051E","","x-ray","0.71073","MoKα","","0.0765","0.0414","","","0.0776","0.0868","","","","","","0.95","","","","has coordinates","293224","2024-07-05","17:47:21",""
"7063209","7.465","0.0014","13.788","0.003","26.074","0.005","90","","90","","90","","2683.7","0.9","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H14 N2 Ni O2 -","- C16 H14 N2 Ni O2 -","- C128 H112 N16 Ni8 O16 -","8","1","","İnci Özbağcı, Duygu; İlkar Erdağı, Sevinç; Aydın, İpek; Aydın, Rahmiye; Zorlu, Yunus; Arı, Ferda","A comparative study on the synthesis and crystal structures of Ni(ii) complexes bearing tetradentate N2O2 donor Schiff bases: biomolecular interactions, cytotoxicities and molecular docking","New Journal of Chemistry","2024","48","23","10475","10496","10.1039/D4NJ01051E","","x-ray","0.71073","MoKα","","0.0585","0.0326","","","0.0729","0.0797","","","","","","1.058","","","","has coordinates","293224","2024-07-05","17:47:21",""
"7063210","14.136","0.003","8.7735","0.0016","17.072","0.003","90","","97.292","0.007","90","","2100.2","0.7","159.38","","159.38","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H28 I4 N6 Pt2 -","- C30 H28 I4 N6 Pt2 -","- C60 H56 I8 N12 Pt4 -","2","0.5","","Naskar, Rajat; Mondal, Bhaskar; Sengupta, Diya; Ghosh, Aninda; Garai, Somenath; Maity, Ramananda","Dinuclear platinum(ii) complexes with biphenyl-based bis-carbene ligands","New Journal of Chemistry","2024","48","23","10762","10768","10.1039/D3NJ05731C","","x-ray","0.71073","MoKα","","0.0666","0.0598","","","0.1602","0.1682","","","","","","1.072","","","","has coordinates","293227","2024-07-05","17:47:52",""
"7063211","8.0745","0.0004","10.6294","0.0006","11.2471","0.0007","102.303","0.005","109.671","0.005","103.453","0.005","838.09","0.1","303.88","0.1","303.88","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C40 H46 N2 O4 -","2","1","","Huang, Haowen; Cao, Yasong; Zhao, Zhonghua; Xu, Jiatong; Zeng, Cheng; Shen, Richao; Lv, Jiawei; Lei, Ziqiang; Ma, Hengchang","Functionalized tails influence photoluminescence emissions for advanced applications in the fiel of time-resolved information input and erasure","New Journal of Chemistry","2024","48","23","10748","10755","10.1039/D4NJ01438C","","x-ray","0.71073","MoKα","","0.0771","0.0471","","","0.1127","0.1252","","","","","","1.051","","","","has coordinates","293226","2024-07-05","17:47:44",""
"7063212","16.3774","0.0003","7.78421","0.00013","27.7655","0.0006","90","","90","","90","","3539.69","0.12","149.99","0.1","149.99","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H24 Br N -","- C20 H24 Br N -","- C160 H192 Br8 N8 -","8","1","","Huang, Haowen; Cao, Yasong; Zhao, Zhonghua; Xu, Jiatong; Zeng, Cheng; Shen, Richao; Lv, Jiawei; Lei, Ziqiang; Ma, Hengchang","Functionalized tails influence photoluminescence emissions for advanced applications in the fiel of time-resolved information input and erasure","New Journal of Chemistry","2024","48","23","10748","10755","10.1039/D4NJ01438C","","x-ray","1.54184","CuKα","","0.0388","0.0346","","","0.0909","0.0937","","","","","","1.082","","","","has coordinates","293226","2024-07-05","17:47:44",""
"7063213","13.7731","0.0001","9.3347","0.0001","16.8784","0.0002","90","","98.835","0.001","90","","2144.27","0.04","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 Br N3 S -","- C21 H28 Br N3 S -","- C84 H112 Br4 N12 S4 -","4","1","","Huang, Haowen; Cao, Yasong; Zhao, Zhonghua; Xu, Jiatong; Zeng, Cheng; Shen, Richao; Lv, Jiawei; Lei, Ziqiang; Ma, Hengchang","Functionalized tails influence photoluminescence emissions for advanced applications in the fiel of time-resolved information input and erasure","New Journal of Chemistry","2024","48","23","10748","10755","10.1039/D4NJ01438C","","x-ray","1.54184","CuKα","","0.0336","0.0314","","","0.1104","0.1139","","","","","","0.963","","","","has coordinates","293226","2024-07-05","17:47:44",""
"7063214","21.0987","0.0013","6.1425","0.0003","7.414","0.0004","90","","101.875","0.002","90","","940.28","0.09","200","","200","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C7 H6 Cu I N4 -","- C7 H6 Cu I N4 -","- C28 H24 Cu4 I4 N16 -","4","1","","Yang, Hui; Kuang, Xiaofei; Mi, Ying-Hao; Wang, Ming-Ming; Zhao, Yuqing; Lin, Fulin; Lu, Can-Zhong","Construction and characterization of an inorganic–organic hybrid copper(i) iodide coordination polymer with semiconducting luminescence","New Journal of Chemistry","2024","48","23","10646","10652","10.1039/D4NJ01779J","","","0.71073","MoKα","","0.0156","0.0151","","","0.0329","0.0331","","","","","","1.069","","","","has coordinates","293223","2024-07-05","17:46:58",""
"7063215","10.8114","0.0005","11.3929","0.0005","12.8702","0.0006","106.897","0.002","95.882","0.002","109.726","0.001","1391.96","0.11","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H26 F3 N3 O2 -","- C35 H26 F3 N3 O2 -","- C70 H52 F6 N6 O4 -","2","1","","Krishnan, Ashokkumar; Kamaraj, Sriraghavan","High-yielding regioselective synthesis of p-quinone fused 5-substituted-1,4-benzodiazepine scaffolds via Pictet–Spengler type cycloannulation","New Journal of Chemistry","2024","48","22","10045","10052","10.1039/D4NJ00993B","","","0.71073","MoKα","","0.1291","0.0729","","","0.1951","0.2429","","","","","","1.022","","","","has coordinates","293190","2024-07-05","17:36:21",""
"7063216","10.8433","0.0016","9.7755","0.0012","19.606","0.002","90","","101.988","0.004","90","","2032.9","0.4","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C96 H96 N8 O16 -","4","1","","Krishnan, Ashokkumar; Kamaraj, Sriraghavan","High-yielding regioselective synthesis of p-quinone fused 5-substituted-1,4-benzodiazepine scaffolds via Pictet–Spengler type cycloannulation","New Journal of Chemistry","2024","48","22","10045","10052","10.1039/D4NJ00993B","","","0.71073","MoKα","","0.1108","0.0536","","","0.1162","0.1522","","","","","","1.013","","","","has coordinates","293190","2024-07-05","17:36:23",""
"7063217","10.0106","0.0009","10.5842","0.001","14.4812","0.0014","76.236","0.004","72.035","0.003","87.625","0.004","1416.8","0.2","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27 Cl3 N2 O5 -","- C29 H27 Cl3 N2 O5 -","- C58 H54 Cl6 N4 O10 -","2","1","","Krishnan, Ashokkumar; Kamaraj, Sriraghavan","High-yielding regioselective synthesis of p-quinone fused 5-substituted-1,4-benzodiazepine scaffolds via Pictet–Spengler type cycloannulation","New Journal of Chemistry","2024","48","22","10045","10052","10.1039/D4NJ00993B","","","0.71073","MoKα","","0.1358","0.0789","","","0.1846","0.2205","","","","","","1.023","","","","has coordinates","293190","2024-07-05","17:36:36",""
"7063218","7.3724","0.0009","9.8599","0.0014","13.615","0.002","83.109","0.005","84.277","0.005","85.557","0.005","975.5","0.2","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 Fe N2 O2 -","- C25 H18 Fe N2 O2 -","- C50 H36 Fe2 N4 O4 -","2","1","","Viswanathan, Thamodharan; David, Ezhumalai; Prabu, Selvam; Mishra, Kamini; Prakash, Muthuramalingam; Shanmugan, Swaminathan; Palanisami, Nallasamy","Effect of the phenyl group on the non-linear optical (NLO) and aggregation induced emission (AIE) properties of ferrocene conjugated linear D–π–A/D–π–A–π–A chromophores","New Journal of Chemistry","2024","48","23","10717","10729","10.1039/D4NJ01199F","","","0.71073","MoKα","","0.0867","0.0529","","","0.1264","0.1457","","","","","","1.0223","","","","has coordinates","293221","2024-07-05","17:46:37",""
"7063219","15.505","0.002","5.9113","0.0008","13.0683","0.0013","90","","103.741","0.005","90","","1163.5","0.2","296","2","296.15","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C31 H22 Fe N2 O2 -","- C31 H22 Fe N2 O2 -","- C62 H44 Fe2 N4 O4 -","2","1","","Viswanathan, Thamodharan; David, Ezhumalai; Prabu, Selvam; Mishra, Kamini; Prakash, Muthuramalingam; Shanmugan, Swaminathan; Palanisami, Nallasamy","Effect of the phenyl group on the non-linear optical (NLO) and aggregation induced emission (AIE) properties of ferrocene conjugated linear D–π–A/D–π–A–π–A chromophores","New Journal of Chemistry","2024","48","23","10717","10729","10.1039/D4NJ01199F","","","0.71073","MoKα","","0.0501","0.0368","","","0.0682","0.0731","","","","","","0.9783","","","","has coordinates","293221","2024-07-05","17:46:37",""
"7063220","12.5261","0.0006","7.3772","0.0004","16.8208","0.0009","90","","98.222","0.002","90","","1538.39","0.14","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","1","","Biswas, Subhamoy; Bora, Surjya Kumar; Arandhara, Pallav Jyoti; Saikia, Anil K.","Regioselective synthesis of spiro quinazolinones via sequential hydroalkoxylation and intramolecular amide-cyclization of alkynol ureas","New Journal of Chemistry","2024","48","23","10756","10761","10.1039/D4NJ01745E","","","0.71073","MoKα","","0.1141","0.073","","","0.1298","0.1506","","","","","","1.189","","","","has coordinates","293228","2024-07-05","17:47:59",""
"7063221","8.149","0.003","9.669","0.003","14.769","0.004","101.961","0.009","96.161","0.01","95.866","0.01","1122.5","0.6","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 Br2 N O3 -","- C22 H23 Br2 N O3 -","- C44 H46 Br4 N2 O6 -","2","1","","Yi, Ze-Yu; Sun, Na; Gu, Peiming; Ji, Yang; Li, Rui","Rh2(esp)2-catalyzed three-component reaction of a diazo compound, alkyl azide and allylboronate for the synthesis of homoallylic amine derivatives","New Journal of Chemistry","2024","48","22","9885","9889","10.1039/D4NJ01189A","","","0.71073","MoKα","","0.0713","0.0463","","","0.1361","0.1575","","","","","","1.093","","","","has coordinates","293187","2024-07-05","17:35:24",""
"7063222","15.2907","0.0006","4.0298","0.0002","22.1448","0.0007","90","","106.353","0.001","90","","1309.33","0.09","290","","290","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Br6 N2 O2 -","- C24 H16 Br6 N2 O2 -","- C48 H32 Br12 N4 O4 -","2","0.5","","Andren, Max; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H.","Expanding the versatility of trihalophenols as molecular templates to achieve a series of [2+2] cycloaddition reaction involving 1,2-bis(2-pyridyl)ethylene","New Journal of Chemistry","2024","48","23","10584","10587","10.1039/D4NJ01769B","","","0.71073","MoKα","","0.0428","0.0299","","","0.0683","0.0739","","","","","","1.021","","","","has coordinates","293225","2024-07-05","17:47:32",""
"7063223","3.8425","0.0003","11.4827","0.0008","13.8828","0.0009","94.128","0.002","94.256","0.002","95.001","0.002","606.63","0.07","290","","290","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Cl6 N2 O2 -","- C24 H16 Cl6 N2 O2 -","- C24 H16 Cl6 N2 O2 -","1","0.5","","Andren, Max; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H.","Expanding the versatility of trihalophenols as molecular templates to achieve a series of [2+2] cycloaddition reaction involving 1,2-bis(2-pyridyl)ethylene","New Journal of Chemistry","2024","48","23","10584","10587","10.1039/D4NJ01769B","","","0.71073","MoKα","","0.0549","0.0395","","","0.0959","0.1072","","","","","","1.035","","","","has coordinates","293225","2024-07-05","17:47:33",""
"7063224","16.4149","0.0011","3.8067","0.0004","17.2311","0.0014","90","","99.309","0.002","90","","1062.53","0.16","290","","290","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 F6 N2 O2 -","- C24 H16 F6 N2 O2 -","- C48 H32 F12 N4 O4 -","2","0.5","","Andren, Max; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H.","Expanding the versatility of trihalophenols as molecular templates to achieve a series of [2+2] cycloaddition reaction involving 1,2-bis(2-pyridyl)ethylene","New Journal of Chemistry","2024","48","23","10584","10587","10.1039/D4NJ01769B","","","0.71073","MoKα","","0.0579","0.0418","","","0.1073","0.1198","","","","","","1.067","","","","has coordinates","293225","2024-07-05","17:47:33",""
"7063225","16.737","0.0002","16.737","0.0002","15.8689","0.0003","90","","90","","120","","3849.75","0.1","100","0.1","100","0.1","","","","","","","","5","P -3 1 c","-P 3 2c","163","Zn-adc-tpt","Zn-adc-tpt","","- C66 H39 N6 O13 Zn3 -","- C66 H39 N6 O13 Zn3 -","- C132 H78 N12 O26 Zn6 -","2","0.166667","","Zhang, Kuo; Pang, Jing-Jing; Lian, Xin; Song, Zi-Han; Yuan, Yue-Chao; Huang, Hongliang; Yao, Zhao-Quan; Xu, Jian","A pacs-type metal–organic framework with high adsorption capacity for inverse C2H6/C2H4 separation","New Journal of Chemistry","2024","48","23","10577","10583","10.1039/D4NJ00605D","","x-ray","1.54184","CuKα","","0.059","0.0524","","","0.1373","0.141","","","","","","1.045","","","","has coordinates","293222","2024-07-05","17:46:48",""
"7063226","16.7926","0.0006","16.7926","0.0006","14.6396","0.0009","90","","90","","120","","3575.2","0.3","210","90","210","90","","","","","","","","5","P 63/m m c","-P 6c 2c","194","Ni-bodc-tpt","Ni-bodc-tpt","","- C48 H48 N6 Ni3 O13 -","- C48 H48 N6 Ni3 O13 -","- C96 H96 N12 Ni6 O26 -","2","0.0833333","","Zhang, Kuo; Pang, Jing-Jing; Lian, Xin; Song, Zi-Han; Yuan, Yue-Chao; Huang, Hongliang; Yao, Zhao-Quan; Xu, Jian","A pacs-type metal–organic framework with high adsorption capacity for inverse C2H6/C2H4 separation","New Journal of Chemistry","2024","48","23","10577","10583","10.1039/D4NJ00605D","","x-ray","1.54184","CuKα","","0.078","0.0689","","","0.2075","0.2255","","","","","","1.173","","","","has coordinates,has disorder","293222","2024-07-05","17:46:49",""
"7063227","7.2165","0.0018","12.287","0.003","13.0501","0.0014","72.09","0.013","80.149","0.014","83.652","0.019","1082.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 N6 O5 S -","- C23 H20 N6 O5 S -","- C46 H40 N12 O10 S2 -","2","1","","Kohli, Anjum H.; Malik, Asif A.; Ganie, Arshid A.; Dar, Aijaz A.","Stimuli-responsive fluorochromic organic salt","New Journal of Chemistry","2024","48","24","11090","11098","10.1039/D4NJ00929K","","","0.71073","MoKα","","0.1547","0.1046","","","0.2595","0.3337","","","","","","1.026","","","","has coordinates","293184","2024-07-05","17:34:40",""
"7063228","9.7371","0.0002","12.1048","0.0002","15.7768","0.0003","71.092","0.002","83.131","0.001","87.29","0.001","1746.5","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H61 N4 O12 P3 -","- C24 H61 N4 O12 P3 -","- C48 H122 N8 O24 P6 -","2","1","","Makhlouf, Jawher; El Bakri, Youness; Bian, Wensheng; Ahsin, Atazaz; Al-Salahi, Rashad; Valkonen, Arto; Smirani, Wajda","Crystal structure and electronic structure calculations of a novel organic triphosphate complex: excellent electrochemical properties with ultra-efficient lithium storage capacity","New Journal of Chemistry","2024","48","23","10507","10521","10.1039/D4NJ00461B","","","1.54184","CuKα","","0.0352","0.0326","","","0.0872","0.0887","","","","","","1.073","","","","has coordinates","293220","2024-07-05","17:46:23",""
"7063229","25.8134","0.0011","8.453","0.0005","19.2889","0.001","90","","105.653","0.005","90","","4052.8","0.4","293","2","293","2","","","","","","","Synthesized","6","P 1 21/c 1","-P 2ybc","14","Complex 1","[Zn(L)]2","","- C38 H41 Cl2 N5 O2 Zn -","- C38 H41 Cl2 N5 O2 Zn -","- C152 H164 Cl8 N20 O8 Zn4 -","4","1","","Chand, Prem; Kumar, Ashish","High-fidelity detection of picric acid following proton prompted fluorescence quenching by a novel acridine yellow G-based binuclear ZnII-metallacycle","New Journal of Chemistry","2024","48","25","11530","11541","10.1039/D3NJ05688K","","x-ray","0.71073","MoKα","","0.1514","0.0693","","","0.171","0.1959","","","","","","0.935","","","","has coordinates","293210","2024-07-05","17:42:08",""
"7063230","9.489","0.002","9.759","0.003","10.043","0.003","63.432","0.009","89.48","0.009","71.598","0.009","779.7","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 Cu2 N10 O2 -","- C32 H34 Cu2 N10 O2 -","- C32 H34 Cu2 N10 O2 -","1","0.5","","Mohammed, Thasnim P.; Thennarasu, Abinaya Sushana; Jothi, Ravi; Gowrishankar, Shanmugaraj; Velusamy, Marappan; Patra, Suman; Sankaralingam, Muniyandi","Investigation of the inherent characteristics of copper(ii) Schiff base complexes as antimicrobial agents","New Journal of Chemistry","2024","48","29","12877","12892","10.1039/D4NJ01271B","","","0.71073","MoKα","","0.0563","0.0378","","","0.0861","0.0937","","","","","","1.037","","","","has coordinates","293889","2024-08-05","19:44:29",""
"7063231","13.7472","0.0019","28.684","0.004","8.5539","0.0013","90","","90","","90","","3373","0.8","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C17 H19 Cu N5 O -","- C17 H19 Cu N5 O -","- C136 H152 Cu8 N40 O8 -","8","1","","Mohammed, Thasnim P.; Thennarasu, Abinaya Sushana; Jothi, Ravi; Gowrishankar, Shanmugaraj; Velusamy, Marappan; Patra, Suman; Sankaralingam, Muniyandi","Investigation of the inherent characteristics of copper(ii) Schiff base complexes as antimicrobial agents","New Journal of Chemistry","2024","48","29","12877","12892","10.1039/D4NJ01271B","","","0.71073","MoKα","","0.1464","0.068","","","0.1385","0.1638","","","","","","1.036","","","","has coordinates","293889","2024-08-05","19:44:30",""
"7063232","17.3563","0.0002","11.8638","0.0002","8.1509","0.0001","90","","90","","90","","1678.37","0.04","200","1","200","1","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- C40 H32 Cu N O P2 -","- C40 H32 Cu N O P2 -","- C80 H64 Cu2 N2 O2 P4 -","2","0.5","","Moussa, J.; Gontard, G.","Novel heteroleptic copper(i) complexes merging the chelating 1,2-bis-diphenyldiphosphine and various L^X type coligands","New Journal of Chemistry","2024","48","27","12162","12165","10.1039/D3NJ05212E","","","1.54178","CuKα","","0.024","0.0232","","","0.0627","0.0632","","","","","","1.046","","","","has coordinates","293909","2024-08-05","19:48:42",""
"7063233","8.3072","0.0002","18.5057","0.0004","19.9706","0.0004","90","","94.867","0.001","90","","3059.02","0.12","200","1","200","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H30 Cu N O2 P2 -","- C37 H30 Cu N O2 P2 -","- C148 H120 Cu4 N4 O8 P8 -","4","1","","Moussa, J.; Gontard, G.","Novel heteroleptic copper(i) complexes merging the chelating 1,2-bis-diphenyldiphosphine and various L^X type coligands","New Journal of Chemistry","2024","48","27","12162","12165","10.1039/D3NJ05212E","","","1.54178","CuKα","","0.0392","0.0299","","","0.0725","0.0767","","","","","","1.02","","","","has coordinates","293909","2024-08-05","19:48:43",""
"7063234","12.175","0.003","27.856","0.007","16.416","0.003","90","","113.189","0.015","90","","5118","2","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C96 H86 Cl8 Fe2 N8 O28 Zn4 -","- C96 H86 Cl8 Fe2 N8 O28 Zn4 -","- C192 H172 Cl16 Fe4 N16 O56 Zn8 -","2","0.5","","Pantelis, Konstantinos N.; Skiadas, Sotiris G.; Lada, Zoi G.; Clérac, Rodolphe; Sanakis, Yiannis; Dechambenoit, Pierre; Perlepes, Spyros P.","Hexanuclear {ZnII4FeIII2} and {ZnII4CrIII2} complexes from the use of potentially tetradentate NOO′O′′ Schiff-base ligands","New Journal of Chemistry","2024","48","25","11221","11232","10.1039/D4NJ02030H","","","0.71073","MoKα","","0.1019","0.0791","","","0.1959","0.2076","","","","","","1.181","","","","has coordinates","293209","2024-07-05","17:41:54",""
"7063235","12.2993","0.0011","15.6707","0.0013","15.6934","0.0013","67.497","0.003","72.688","0.003","83.591","0.003","2667.8","0.4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H80 Cl14 Fe2 N8 O28 Zn4 -","- C96 H80 Cl14 Fe2 N8 O28 Zn4 -","- C96 H80 Cl14 Fe2 N8 O28 Zn4 -","1","0.5","","Pantelis, Konstantinos N.; Skiadas, Sotiris G.; Lada, Zoi G.; Clérac, Rodolphe; Sanakis, Yiannis; Dechambenoit, Pierre; Perlepes, Spyros P.","Hexanuclear {ZnII4FeIII2} and {ZnII4CrIII2} complexes from the use of potentially tetradentate NOO′O′′ Schiff-base ligands","New Journal of Chemistry","2024","48","25","11221","11232","10.1039/D4NJ02030H","","","0.71073","MoKα","","0.0635","0.0423","","","0.0996","0.1099","","","","","","1.056","","","","has coordinates,has disorder","293209","2024-07-05","17:41:54",""
"7063236","12.3043","0.0005","14.2093","0.0006","15.7458","0.0007","109.169","0.002","90.594","0.002","113.395","0.002","2354.85","0.18","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H82 Cr2 N12 O28 Zn4 -","- C96 H82 Cr2 N12 O28 Zn4 -","- C96 H82 Cr2 N12 O28 Zn4 -","1","0.5","","Pantelis, Konstantinos N.; Skiadas, Sotiris G.; Lada, Zoi G.; Clérac, Rodolphe; Sanakis, Yiannis; Dechambenoit, Pierre; Perlepes, Spyros P.","Hexanuclear {ZnII4FeIII2} and {ZnII4CrIII2} complexes from the use of potentially tetradentate NOO′O′′ Schiff-base ligands","New Journal of Chemistry","2024","48","25","11221","11232","10.1039/D4NJ02030H","","","0.71073","MoKα","","0.0376","0.0326","","","0.0842","0.0866","","","","","","1.009","","","","has coordinates","293209","2024-07-05","17:41:54",""
"7063237","10.4449","0.0003","11.2293","0.0003","21.4005","0.0006","93.504","0.001","94.216","0.001","111.422","0.001","2319.83","0.11","298","","298","","","","","","","","","6","P -1","-P 1","2","","1","","- C50 H44 Cu2 I2 N4 S2 -","- C50 H44 Cu2 I2 N4 S2 -","- C100 H88 Cu4 I4 N8 S4 -","2","1","","Mandal, Suman; Harijan, Dinesh; Kumari, Kusum; Singh, Saurabh Kumar; Rengan, Aravind Kumar; Prabusankar, Ganesan","Discrete copper(i) chalcogenones with metal–metal interaction","New Journal of Chemistry","2024","48","28","12501","12509","10.1039/D4NJ01758G","","","0.71073","MoKα","","0.0453","0.0291","","","0.0623","0.0677","","","","","","1.02","","","","has coordinates","293900","2024-08-05","19:47:17",""
"7063238","11.441","0.006","10.49","0.006","27.824","0.015","90","","101.83","0.017","90","","3268","3","293.15","","293.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Cu PF6","","- C46 H54 Cl6 Cu2 F12 N12 P2 Se4 -","- C46 H54 Cl6 Cu1.98 F12 N12 P2 Se3.99 -","- C92 H108 Cl12 Cu3.96 F24 N24 P4 Se7.98 -","2","0.5","","Mandal, Suman; Harijan, Dinesh; Kumari, Kusum; Singh, Saurabh Kumar; Rengan, Aravind Kumar; Prabusankar, Ganesan","Discrete copper(i) chalcogenones with metal–metal interaction","New Journal of Chemistry","2024","48","28","12501","12509","10.1039/D4NJ01758G","","","0.71073","MoKα","","0.1032","0.0588","","","0.1511","0.1734","","","","","","1.032","","","","has coordinates","293900","2024-08-05","19:47:18",""
"7063239","10.4551","0.0017","11.2312","0.0017","21.572","0.003","93.703","0.005","93.917","0.005","111.497","0.005","2340.4","0.6","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H44 Cu2 I2 N4 Se2 -","- C50 H44 Cu2 I2 N4 Se2 -","- C100 H88 Cu4 I4 N8 Se4 -","2","1","","Mandal, Suman; Harijan, Dinesh; Kumari, Kusum; Singh, Saurabh Kumar; Rengan, Aravind Kumar; Prabusankar, Ganesan","Discrete copper(i) chalcogenones with metal–metal interaction","New Journal of Chemistry","2024","48","28","12501","12509","10.1039/D4NJ01758G","","","0.71073","MoKα","","0.036","0.0298","","","0.0675","0.0708","","","","","","1.037","","","","has coordinates","293900","2024-08-05","19:47:18",""
"7063240","12.0428","0.0008","10.2128","0.0006","21.0833","0.0011","90","","94.501","0.005","90","","2585.1","0.3","294","","294","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C20 H36 Cl12 Eu N5 O16 P4 -","- C20 H36 Cl12 Eu N5 O16 P4 -","- C40 H72 Cl24 Eu2 N10 O32 P8 -","2","0.5","","Struhatska, Mariia B.; Kariaka, Nataliia S.; Dyakonenko, Viktoriya V.; Shishkina, Svitlana V.; Smola, Sergii S.; Rusakova, Nataliia V.; Gawryszewska, Paula; Malta, Oscar L.; Carneiro Neto, Albano N.; Trush, Viktor O.; Amirkhanov, Volodymyr M.","The influence of different cations on the structure and spectral properties of Ln3+ tetrakis-complexes with the CAPh-type ligand dimethyl-N-trichloroacetylamidophosphate","New Journal of Chemistry","2024","48","26","11886","11898","10.1039/D4NJ01700E","","x-ray","0.71073","MoKα","","0.0878","0.0725","","","0.1747","0.1861","","","","","","1.071","","","","has coordinates,has disorder","293200","2024-07-05","17:38:47",""
"7063241","20.4825","0.0006","12.2546","0.0003","21.3808","0.0006","90","","92.286","0.002","90","","5362.4","0.3","294","","294","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H44 Cl12 Eu N5 O16 P4 -","- C24 H44 Cl12 Eu N5 O16 P4 -","- C96 H176 Cl48 Eu4 N20 O64 P16 -","4","1","","Struhatska, Mariia B.; Kariaka, Nataliia S.; Dyakonenko, Viktoriya V.; Shishkina, Svitlana V.; Smola, Sergii S.; Rusakova, Nataliia V.; Gawryszewska, Paula; Malta, Oscar L.; Carneiro Neto, Albano N.; Trush, Viktor O.; Amirkhanov, Volodymyr M.","The influence of different cations on the structure and spectral properties of Ln3+ tetrakis-complexes with the CAPh-type ligand dimethyl-N-trichloroacetylamidophosphate","New Journal of Chemistry","2024","48","26","11886","11898","10.1039/D4NJ01700E","","x-ray","0.71073","MoKα","","0.1061","0.0785","","","0.2035","0.2276","","","","","","1.053","","","","has coordinates,has disorder","293200","2024-07-05","17:38:47",""
"7063242","19.8828","0.0008","19.1092","0.0008","17.3678","0.0006","90","","110.925","0.003","90","","6163.6","0.4","173.15","","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 Cl12 Gd N4 O16 P5 -","- C40 H44 Cl12 Gd N4 O16 P5 -","- C160 H176 Cl48 Gd4 N16 O64 P20 -","4","1","","Struhatska, Mariia B.; Kariaka, Nataliia S.; Dyakonenko, Viktoriya V.; Shishkina, Svitlana V.; Smola, Sergii S.; Rusakova, Nataliia V.; Gawryszewska, Paula; Malta, Oscar L.; Carneiro Neto, Albano N.; Trush, Viktor O.; Amirkhanov, Volodymyr M.","The influence of different cations on the structure and spectral properties of Ln3+ tetrakis-complexes with the CAPh-type ligand dimethyl-N-trichloroacetylamidophosphate","New Journal of Chemistry","2024","48","26","11886","11898","10.1039/D4NJ01700E","","","0.71073","MoKα","","0.0926","0.0612","","","0.1261","0.1438","","","","","","1.102","","","","has coordinates","293200","2024-07-05","17:38:47",""
"7063243","10.3405","0.0006","11.1184","0.0006","13.3824","0.0008","98.573","0.002","90.073","0.002","98.505","0.002","1504.22","0.15","180","","180","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H31 Cu2 N8 O8.75 S2 -","- C19 H31 Cu2 N8 O8.75 S2 -","- C38 H62 Cu4 N16 O17.5 S4 -","2","1","","Cebotari, Diana; Calancea, Sergiu; Garbuz, Olga; Balan, Greta; Marrot, Jérôme; Shova, Sergiu; Guérineau, Vincent; Touboul, David; Tsapkov, Victor; Gulea, Aurelian; Floquet, Sébastien","Synthesis, structure and biological properties of a series of dicopper(bis-thiosemicarbazone) complexes","New Journal of Chemistry","2024","48","26","12043","12053","10.1039/D4NJ00342J","","","0.71073","MoKα","","0.0404","0.0376","","","0.11","0.1136","","","","","","1.088","","","","has coordinates,has disorder","293202","2024-07-05","17:39:18",""
"7063244","12.7043","0.0002","13.4872","0.0003","17.5847","0.0003","93.979","0.002","111.099","0.001","113.048","0.001","2507.85","0.09","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cu2 N6 O2 S2 -","- C22 H30 Cu2 N6 O2 S2 -","- C88 H120 Cu8 N24 O8 S8 -","4","2","","Cebotari, Diana; Calancea, Sergiu; Garbuz, Olga; Balan, Greta; Marrot, Jérôme; Shova, Sergiu; Guérineau, Vincent; Touboul, David; Tsapkov, Victor; Gulea, Aurelian; Floquet, Sébastien","Synthesis, structure and biological properties of a series of dicopper(bis-thiosemicarbazone) complexes","New Journal of Chemistry","2024","48","26","12043","12053","10.1039/D4NJ00342J","","","0.72932","synchrotron","","0.0697","0.064","","","0.1808","0.1835","","","","","","1.085","","","","has coordinates","293202","2024-07-05","17:39:19",""
"7063245","9.082","0.0011","11.388","0.0011","16.0107","0.0016","102.963","0.009","95.669","0.009","99.977","0.009","1572.9","0.3","160.05","0.1","160.05","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C36.15 H62 Cl4 Cu4 N12 O25 S4 -","- C36.148 H62 Cl4 Cu4 N12 O25 S4 -","- C36.148 H62 Cl4 Cu4 N12 O25 S4 -","1","0.5","","Cebotari, Diana; Calancea, Sergiu; Garbuz, Olga; Balan, Greta; Marrot, Jérôme; Shova, Sergiu; Guérineau, Vincent; Touboul, David; Tsapkov, Victor; Gulea, Aurelian; Floquet, Sébastien","Synthesis, structure and biological properties of a series of dicopper(bis-thiosemicarbazone) complexes","New Journal of Chemistry","2024","48","26","12043","12053","10.1039/D4NJ00342J","","x-ray","0.71073","MoKα","","0.1271","0.0934","","","0.229","0.254","","","","","","1.037","","","","has coordinates,has disorder","293202","2024-07-05","17:39:19",""
"7063246","13.4884","0.0006","14.4023","0.0005","18.7364","0.0007","90","","106.121","0.005","90","","3496.7","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H58 Cl2 Cu4 N12 O14 S4 -","- C36 H58 Cl2 Cu4 N12 O14 S4 -","- C72 H116 Cl4 Cu8 N24 O28 S8 -","2","0.5","","Cebotari, Diana; Calancea, Sergiu; Garbuz, Olga; Balan, Greta; Marrot, Jérôme; Shova, Sergiu; Guérineau, Vincent; Touboul, David; Tsapkov, Victor; Gulea, Aurelian; Floquet, Sébastien","Synthesis, structure and biological properties of a series of dicopper(bis-thiosemicarbazone) complexes","New Journal of Chemistry","2024","48","26","12043","12053","10.1039/D4NJ00342J","","x-ray","0.71073","MoKα","","0.1293","0.0895","","","0.2399","0.2679","","","","","","1.05","","","","has coordinates,has disorder","293202","2024-07-05","17:39:19",""
"7063247","8.3539","0.0005","13.0012","0.0007","15.5862","0.0008","67.663","0.002","75.254","0.002","76.278","0.002","1495.45","0.14","294","","294","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H31 Cu2 N7 O5 S2 -","- C22 H31 Cu2 N7 O5 S2 -","- C44 H62 Cu4 N14 O10 S4 -","2","1","","Cebotari, Diana; Calancea, Sergiu; Garbuz, Olga; Balan, Greta; Marrot, Jérôme; Shova, Sergiu; Guérineau, Vincent; Touboul, David; Tsapkov, Victor; Gulea, Aurelian; Floquet, Sébastien","Synthesis, structure and biological properties of a series of dicopper(bis-thiosemicarbazone) complexes","New Journal of Chemistry","2024","48","26","12043","12053","10.1039/D4NJ00342J","","","0.71073","MoKα","","0.0812","0.0507","","","0.1317","0.1543","","","","","","1.039","","","","has coordinates,has disorder","293202","2024-07-05","17:39:19",""
"7063248","10.8643","0.0003","13.626","0.0004","19.5887","0.0005","102.185","0.001","94.753","0.001","92.815","0.001","2818.16","0.14","296","2","296","","","","","","","","","7","P -1","-P 1","2","","","","- C22.5 H32 Cl0.5 Cu2 N6 O4.25 S2 -","- C22.5 H30.5 Cl0.5 Cu2 N6 O4.25 S2 -","- C90 H122 Cl2 Cu8 N24 O17 S8 -","4","2","","Cebotari, Diana; Calancea, Sergiu; Garbuz, Olga; Balan, Greta; Marrot, Jérôme; Shova, Sergiu; Guérineau, Vincent; Touboul, David; Tsapkov, Victor; Gulea, Aurelian; Floquet, Sébastien","Synthesis, structure and biological properties of a series of dicopper(bis-thiosemicarbazone) complexes","New Journal of Chemistry","2024","48","26","12043","12053","10.1039/D4NJ00342J","","","0.71073","MoKα","","0.0921","0.0537","","","0.1338","0.1643","","","","","","1.057","","","","has coordinates,has disorder","293202","2024-07-05","17:39:19",""
"7063249","10.0085","0.0005","17.5831","0.0009","12.4044","0.0007","90","","95.778","0.002","90","","2171.8","0.2","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H44 N4 O6 Zn -","- C52 H44 N4 O6 Zn -","- C104 H88 N8 O12 Zn2 -","2","0.5","","Cao, Phuong-Lien Doan; Wu, Zhiyuan; Nalaoh, Phattananawee; Lindsey, Jonathan S.","Molecular designs with PEG groups for water-solubilization of sparsely substituted porphyrins","New Journal of Chemistry","2024","48","24","11140","11152","10.1039/D4NJ01178C","","","0.71073","MoKα","","0.0353","0.0334","","","0.0865","0.088","","","","","","1.036","","","","has coordinates,has disorder","293185","2024-07-05","17:34:48",""
"7063250","9.607","0.0004","4.2145","0.0002","10.786","0.0004","90","","90","","90","","436.71","0.03","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Cu2 Se2 -","- Ba Cu2 Se2 -","- Ba4 Cu8 Se8 -","4","0.5","","Swati,; Yadav, Sweta; Shahid, Omair; Prakash, Jai","Syntheses of a series of BaCu2−xAgxSe2 (x = 0 – 1.0) selenides and evaluation of their thermoelectric properties","New Journal of Chemistry","2024","48","24","11129","11139","10.1039/D4NJ00989D","","","0.71073","MoKα","","0.03","0.0213","","","0.0402","0.0427","","","","","","1.053","","","","has coordinates","293183","2024-07-05","17:34:27",""
"7063251","9.9039","0.001","4.2836","0.0004","11.0348","0.0011","90","","90","","90","","468.14","0.08","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag0.79 Ba Cu1.21 Se2 -","- Ag0.795 Ba Cu1.205 Se2 -","- Ag3.18 Ba4 Cu4.82 Se8 -","4","0.5","","Swati,; Yadav, Sweta; Shahid, Omair; Prakash, Jai","Syntheses of a series of BaCu2−xAgxSe2 (x = 0 – 1.0) selenides and evaluation of their thermoelectric properties","New Journal of Chemistry","2024","48","24","11129","11139","10.1039/D4NJ00989D","","","0.71073","MoKα","","0.0289","0.0216","","","0.0398","0.0413","","","","","","1.079","","","","has coordinates","293183","2024-07-05","17:34:28",""
"7063252","9.697","0.003","4.2397","0.0009","10.866","0.003","90","","90","","90","","446.7","0.2","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag0.22 Ba Cu1.78 Se2 -","- Ag0.221 Ba Cu1.779 Se2 -","- Ag0.884 Ba4 Cu7.116 Se8 -","4","0.5","","Swati,; Yadav, Sweta; Shahid, Omair; Prakash, Jai","Syntheses of a series of BaCu2−xAgxSe2 (x = 0 – 1.0) selenides and evaluation of their thermoelectric properties","New Journal of Chemistry","2024","48","24","11129","11139","10.1039/D4NJ00989D","","","0.71073","MoKα","","0.0368","0.0265","","","0.0522","0.0552","","","","","","1.093","","","","has coordinates","293183","2024-07-05","17:34:28",""
"7063253","9.7849","0.0006","4.2614","0.0003","10.9321","0.0007","90","","90","","90","","455.84","0.05","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag0.43 Ba Cu1.57 Se2 -","- Ag0.429 Ba Cu1.571 Se2 -","- Ag1.716 Ba4 Cu6.284 Se8 -","4","0.5","","Swati,; Yadav, Sweta; Shahid, Omair; Prakash, Jai","Syntheses of a series of BaCu2−xAgxSe2 (x = 0 – 1.0) selenides and evaluation of their thermoelectric properties","New Journal of Chemistry","2024","48","24","11129","11139","10.1039/D4NJ00989D","","","0.71073","MoKα","","0.031","0.0242","","","0.051","0.053","","","","","","1.165","","","","has coordinates","293183","2024-07-05","17:34:28",""
"7063254","9.823","0.004","4.2715","0.0016","10.975","0.004","90","","90","","90","","460.5","0.3","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag0.51 Ba Cu1.49 Se2 -","- Ag0.511 Ba Cu1.489 Se2 -","- Ag2.044 Ba4 Cu5.956 Se8 -","4","0.5","","Swati,; Yadav, Sweta; Shahid, Omair; Prakash, Jai","Syntheses of a series of BaCu2−xAgxSe2 (x = 0 – 1.0) selenides and evaluation of their thermoelectric properties","New Journal of Chemistry","2024","48","24","11129","11139","10.1039/D4NJ00989D","","","0.71073","MoKα","","0.018","0.0173","","","0.0361","0.0363","","","","","","1.161","","","","has coordinates","293183","2024-07-05","17:34:28",""
"7063255","7.944","0.002","11.109","0.003","13.45","0.004","70.038","0.014","75.929","0.015","76.156","0.014","1066.2","0.5","193","2","193","2","","","","","","","","2","P -1","-P 1","2","","","","- C29 H26 -","- C29 H26 -","- C58 H52 -","2","1","","Peng, Yu-Qing; Li, Yong-Qing; Liu, Miao-Miao; Ni, Chen; Cao, Yu-Cai","Unexpectedly superior efficiency of chloride-directed double Suzuki–Miyaura cross-coupling reactions to bromide-directed reactions for the synthesis of sterically hindered 2,7-diaryl fluorenes","New Journal of Chemistry","2024","48","27","12130","12137","10.1039/D4NJ00718B","","","1.34139","GaKα","","0.1592","0.1416","","","0.3521","0.3692","","","","","","1.563","","","","has coordinates","293904","2024-08-05","19:47:59",""
"7063256","7.897","0.0005","10.6539","0.0006","14.6586","0.0008","97.903","0.002","99.085","0.002","99.491","0.002","1184.09","0.12","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H15 Br2 N3 O2 S -","- C20 H15 Br2 N3 O2 S -","- C40 H30 Br4 N6 O4 S2 -","2","1","","Yang, Jing; Hu, Xing-Mei; Zhao, Ke-Hua; Huang, Kun; Yan, Sheng-Jiao","Cu(ii)-catalyzed annulation of α,β-unsaturated ketoxime acetates with 3-formylchromones for the synthesis of functionalized 2,4-diarylpyridines","New Journal of Chemistry","2024","48","26","11682","11687","10.1039/D4NJ01648C","","x-ray","0.71073","MoKα","","0.0372","0.0288","","","0.0682","0.0709","","","","","","1.063","","","","has coordinates","293195","2024-07-05","17:37:34",""
"7063257","22.8804","0.0007","13.3317","0.0003","20.976","0.0007","90","","110.3","0.003","90","","6001","0.3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H58 Ag In P2 Se4 -","- C64 H58 Ag In P2 Se4 -","- C256 H232 Ag4 In4 P8 Se16 -","4","0.5","","Karmakar, Gourab; Tyagi, Adish; Tyagi, Deepak; Shah, Alpa Y.; Wadawale, A. P.; Donthula, Harish; Singh, Vishal","[(Ph3P)2Ag(μ-SeCH2Ph)2In(SeCH2Ph)2]: a new heterobimetallic single source precursor as a springboard to bulk, nano and thin film ternary AgInSe2 materials","New Journal of Chemistry","2024","48","26","11910","11917","10.1039/D4NJ01430H","","x-ray","0.71073","MoKα","","0.0569","0.0342","","","0.065","0.07","","","","","","1.019","","","","has coordinates","293199","2024-07-05","17:38:35",""
"7063258","9.224","0.0002","13.7796","0.0003","21.7778","0.0004","94.548","0.001","91.601","0.001","90.471","0.001","2758.08","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H22 Au2 Cl2 N2 P2 -","- C28 H22 Au2 Cl2 N2 P2 -","- C112 H88 Au8 Cl8 N8 P8 -","4","2","","Bardina, Elena E.; Matnurov, Egor M.; Bakaev, Ivan V.; Rakhmanova, Mariana I.; Davydova, Maria P.; Artem’ev, Alexander V.; Babak, Maria V.; Gushchin, Artem L.","Dinuclear gold(i) complexes with pyrimidine- and m-carborane-based bisphosphine ligands: synthesis, structure, photoluminescence and cytotoxicity against malignant pleural mesothelioma","New Journal of Chemistry","2024","48","26","11918","11924","10.1039/D4NJ02047B","","","0.71073","MoKα","","0.0358","0.0296","","","0.0701","0.0725","","","","","","1.066","","","","has coordinates,has disorder","293196","2024-07-05","17:37:49",""
"7063259","32.1688","0.001","13.7076","0.0004","18.0035","0.0006","90","","102.182","0.001","90","","7760","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C61.8 H79.6 Au4 B20 Cl7.6 P4 -","- C61 H78 Au4 B20 Cl6 P4 -","- C244 H312 Au16 B80 Cl24 P16 -","4","0.5","","Bardina, Elena E.; Matnurov, Egor M.; Bakaev, Ivan V.; Rakhmanova, Mariana I.; Davydova, Maria P.; Artem’ev, Alexander V.; Babak, Maria V.; Gushchin, Artem L.","Dinuclear gold(i) complexes with pyrimidine- and m-carborane-based bisphosphine ligands: synthesis, structure, photoluminescence and cytotoxicity against malignant pleural mesothelioma","New Journal of Chemistry","2024","48","26","11918","11924","10.1039/D4NJ02047B","","","0.71073","MoKα","","0.0431","0.0313","","","0.0677","0.0726","","","","","","1.03","","","","has coordinates,has disorder","293196","2024-07-05","17:37:49",""
"7063260","21.71","0.003","3.9545","0.0004","23.298","0.003","90","","92.074","0.005","90","","1998.9","0.4","100","2","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C11 H11 N3 -","- C11 H11 N3 -","- C88 H88 N24 -","8","1","","Nguyen Tran, Anh Thu; Wang, Pengzhi; Zhang, Shaofei; Jovanovic, Milena; Siewert, Bianka; Moser, Simone; Lindsey, Jonathan S.","Synthesis of a model phyllobilin bearing an optical marker","New Journal of Chemistry","2024","48","27","12091","12101","10.1039/D4NJ01533A","","","0.71073","MoKα","","0.0517","0.0449","","","0.1168","0.1216","","","","","","1.036","","","","has coordinates","293906","2024-08-05","19:48:17",""
"7063261","11.492","0.0007","18.982","0.0013","25.974","0.0019","90.966","0.006","93.44","0.006","98.915","0.005","5585.5","0.7","150","2","149.9","0.6","","","","","","","","7","P -1","-P 1","2","","","","- C58 H64 B Co O4 P4 S4 -","- C58 H64 B Co O4 P4 S4 -","- C232 H256 B4 Co4 O16 P16 S16 -","4","2","","Srivastava, Devyani; Daniel, Omoding; Kushwaha, Aparna; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Chauhan, Ratna; Muddassir, Mohd.; Kumar, Abhinav","New heteroleptic bis-(diphenylphosphino)ethane appended dialkyldithiophosphate cobalt(iii) cations: apt electrocatalysts for the heterogeneous oxygen evolution reaction and homogeneous hydrogen evolution reaction","New Journal of Chemistry","2024","48","27","12217","12226","10.1039/D4NJ02358G","","x-ray","0.71073","MoKα","","0.0982","0.0594","","","0.1205","0.1319","","","","","","0.961","","","","has coordinates","293905","2024-08-05","19:48:10",""
"7063262","11.4413","0.0002","30.6056","0.0006","21.3033","0.0004","90","","98.6417","0.0019","90","","7375","0.2","150","2","149.9","0.6","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C75 H84 B Co O4.16 P5 S4.84 -","- C75 H84 B Co O4.161 P5 S4.839 -","- C300 H336 B4 Co4 O16.644 P20 S19.356 -","4","1","","Srivastava, Devyani; Daniel, Omoding; Kushwaha, Aparna; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Chauhan, Ratna; Muddassir, Mohd.; Kumar, Abhinav","New heteroleptic bis-(diphenylphosphino)ethane appended dialkyldithiophosphate cobalt(iii) cations: apt electrocatalysts for the heterogeneous oxygen evolution reaction and homogeneous hydrogen evolution reaction","New Journal of Chemistry","2024","48","27","12217","12226","10.1039/D4NJ02358G","","x-ray","0.71073","MoKα","","0.0798","0.0575","","","0.1392","0.1584","","","","","","1.085","","","","has coordinates,has disorder","293905","2024-08-05","19:48:10",""
"7063263","15.8785","0.0008","11.3457","0.0005","11.5314","0.0006","90","","104.57","0.005","90","","2010.61","0.18","223","0.1","223","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 Br N2 O2 S -","- C20 H25 Br N2 O2 S -","- C80 H100 Br4 N8 O8 S4 -","4","1","","Xiang, Zixin; Zhang, Simiao; Zhang, Ziyi; Liu, Hang; Wang, Junqi; Chen, Wenwen; Wang, Yong; Wan, Xiaobing","Vicinal difunctionalization of nitriles: modular construction of N-alkyl amidines and late-stage modification","New Journal of Chemistry","2024","48","26","11834","11843","10.1039/D4NJ02051K","","x-ray","0.71073","MoKα","","0.0848","0.0466","","","0.0991","0.1155","","","","","","0.999","","","","has coordinates","293197","2024-07-05","17:38:08",""
"7063264","9.478","0.004","12.216","0.005","13.705","0.006","105.816","0.005","107.239","0.006","101.579","0.006","1388.1","1","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25 Cl4 N9 -","- C24 H25 Cl4 N9 -","- C48 H50 Cl8 N18 -","2","1","","Xue, Xuan-Yi; He, Jing-Liang; Li, Rui; Ding, Bo; Wu, Wen-Long; Cao, Yao-Yao; He, Ran; Hu, Peng-Hong; Ji, Jing; Shi, Da-Hua","Design, synthesis and anticancer evaluation of imamine-1,3,5-triazine derivatives","New Journal of Chemistry","2024","48","27","12188","12198","10.1039/D4NJ00819G","","","0.71073","MoKα","","0.1091","0.0806","","","0.2349","0.2625","","","","","","1.07","","","","has coordinates","293908","2024-08-05","19:48:33",""
"7063265","16.47","0.03","15.27","0.02","6.904","0.01","90","","100.65","0.07","90","","1706","5","299","","299","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 Br N O3 -","- C20 H12 Br N O3 -","- C80 H48 Br4 N4 O12 -","4","1","","Sinha, Goutam; Pramanik, Sayan; Jana, Debashis; Ghosh, Anirban; Mukhopadhyay, Chhanda","I2/DMSO-mediated substrate selective oxidation of tetrahydro indole-2,4-dione towards 4-hydroxy isatins and 5,6-dihydro-1H-indole-2,4-dione derivatives","New Journal of Chemistry","2024","48","28","12544","12552","10.1039/D4NJ01583E","","x-ray","0.71073","MoKα","","0.1277","0.068","","","0.1914","0.2357","","","","","","1.0367","","","","has coordinates","293894","2024-08-05","19:45:39",""
"7063266","22.7753","0.0007","9.6966","0.0003","17.872","0.0009","90","","126.19","0.001","90","","3185.4","0.2","273.15","","273.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C144 H152 N8 O24 -","8","1","","Sinha, Goutam; Pramanik, Sayan; Jana, Debashis; Ghosh, Anirban; Mukhopadhyay, Chhanda","I2/DMSO-mediated substrate selective oxidation of tetrahydro indole-2,4-dione towards 4-hydroxy isatins and 5,6-dihydro-1H-indole-2,4-dione derivatives","New Journal of Chemistry","2024","48","28","12544","12552","10.1039/D4NJ01583E","","","0.71073","MoKα","","0.0864","0.0638","","","0.1277","0.1383","","","","","","1.117","","","","has coordinates","293894","2024-08-05","19:45:40",""
"7063267","11.3095","0.0002","10.9116","0.0002","13.1608","0.0003","90","","114.827","0.001","90","","1474","0.05","273.15","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Br N O2 -","- C16 H16 Br N O2 -","- C64 H64 Br4 N4 O8 -","4","1","","Sinha, Goutam; Pramanik, Sayan; Jana, Debashis; Ghosh, Anirban; Mukhopadhyay, Chhanda","I2/DMSO-mediated substrate selective oxidation of tetrahydro indole-2,4-dione towards 4-hydroxy isatins and 5,6-dihydro-1H-indole-2,4-dione derivatives","New Journal of Chemistry","2024","48","28","12544","12552","10.1039/D4NJ01583E","","","0.71073","MoKα","","0.0512","0.0324","","","0.073","0.0817","","","","","","1.027","","","","has coordinates","293894","2024-08-05","19:45:40",""
"7063268","13.6255","0.0013","17.2297","0.0017","17.4046","0.0017","109.439","0.0014","91.6526","0.0015","105.805","0.0015","3675.1","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C42.15 H50.46 O5.08 -","- C42.1535 H50.4615 O5.077 -","- C168.614 H201.846 O20.308 -","4","2","","Azov, Vladimir A.; Warneke, Jonas; Warneke, Ziyan; Zeller, Matthias; Twigge, Linette","Calix[4]arene with a stiff upper rim bridge: spontaneous macrocyclization, structure, and dynamic behaviour","New Journal of Chemistry","2024","48","27","12246","12253","10.1039/D4NJ01698J","","","0.71073","MoKα","","0.0848","0.053","","","0.1284","0.1465","","","","","","1.026","","","","has coordinates,has disorder","293903","2024-08-05","19:47:52",""
"7063269","14.8356","0.0006","17.6855","0.0008","27.7286","0.0013","90","","105.359","0.002","90","","7015.5","0.5","296.15","0.1","296.15","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74.5 H71 N4 Ni2 O15 -","- C74.503 H71.008 N4 Ni2 O15.001 -","- C298.012 H284.032 N16 Ni8 O60.004 -","4","1","","Zhang, Jinfang; Yue, Yinlong; Tao, Xingyu; Zhang, Jiarun; Yin, Dejing; Zhang, Chi","A photochromic metal–organic framework with a rare 3D self-interpenetrated architecture and an ultrahigh MnO4− sensing ability","New Journal of Chemistry","2024","48","28","12609","12615","10.1039/D4NJ02133A","","x-ray","1.54178","CuKα","","0.0868","0.0689","","","0.2044","0.2317","","","","","","1.03","","","","has coordinates,has disorder","293899","2024-08-05","19:47:04",""
"7063270","7.9084","0.0014","10.8324","0.0019","9.4962","0.0017","90","","90","","90","","813.5","0.2","296","2","296.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C4 H4 Cd N10 -","- C4 H4 Cd N10 -","- C16 H16 Cd4 N40 -","4","0.5","","Hou, Tianjiao; Leng, Huiting; Chen, Mengjia; Luo, Jun; Zhang, Chong; Zhang, Yu; Yi, Zhenxin; Zhang, Shunlin; Shen, Xuan","Integrating three types of structure reinforcements abounding in heat-resistant explosives to construct a 3D solvent-free EMOF with superb stability","New Journal of Chemistry","2024","48","28","12697","12705","10.1039/D4NJ01652A","","","0.71073","MoKα","","0.0171","0.0163","","","0.039","0.0411","","","","","","1.1072","","","","has coordinates","293898","2024-08-05","19:46:52",""
"7063271","3.5601","0.0006","12.1278","0.0016","8.6009","0.0013","90","","96.628","0.006","90","","368.87","0.1","193","","193","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5,5?-diamino-3,3?-azo-1H-1,2,4-triazole","","- C4 H6 N10 -","- C4 H6 N10 -","- C8 H12 N20 -","2","0.5","","Hou, Tianjiao; Leng, Huiting; Chen, Mengjia; Luo, Jun; Zhang, Chong; Zhang, Yu; Yi, Zhenxin; Zhang, Shunlin; Shen, Xuan","Integrating three types of structure reinforcements abounding in heat-resistant explosives to construct a 3D solvent-free EMOF with superb stability","New Journal of Chemistry","2024","48","28","12697","12705","10.1039/D4NJ01652A","","","0.71073","MoKα","","0.0809","0.0481","","","0.1029","0.1373","","","","","","1.1295","","","","has coordinates","293898","2024-08-05","19:46:52",""
"7063272","6.6374","0.0001","16.583","0.0003","28.8082","0.0004","101.756","0.001","90.918","0.001","90.584","0.002","3103.66","0.09","100","0.13","100","0.13","","","","","","","","4","P -1","-P 1","2","","","","- C63 H107.65 N7 O18.82 -","- C63 H107.652 N7 O18.826 -","- C126 H215.304 N14 O37.652 -","2","1","","Zhao, Yani; Duan, Ran; Guo, Weijie; Lyu, Lele; Liu, Xiaoyu; Jiang, Hua; Wang, Ying","A water-soluble aza-adamantyl nitroxide radical and its complexes with β-cyclodextrin derivatives","New Journal of Chemistry","2024","48","28","12681","12687","10.1039/D4NJ01211A","","x-ray","1.54184","CuKα","","0.0581","0.0493","","","0.136","0.1423","","","","","","1.032","","","","has coordinates,has disorder","293901","2024-08-05","19:47:27",""
"7063273","15.355","0.0011","4.2932","0.0003","18.938","0.001","90","","111.204","0.005","90","","1163.91","0.14","120","2","120","2","","","","","","","synthesized by the authors","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Ag Br N2 O -","- C11 H11 Ag Br N2 O -","- C44 H44 Ag4 Br4 N8 O4 -","4","1","","Nallappan, Sundaravelu; Kucherak, Oleksandr; Kiss, Anita; Lapinskaite, Ringaile; Císařová, Ivana; Rycek, Lukas","Internal 2D networking of silver bromide with a bidentate N-heterocyclic carbene ligand enables the formation of an inherently heterogeneous reusable catalyst for multicomponent A3 coupling","New Journal of Chemistry","2024","48","28","12800","12806","10.1039/D4NJ02010C","","","1.54178","CuKα","","0.1049","0.0625","","","0.1285","0.1483","","","","","","1.013","","","","has coordinates","293890","2024-08-05","19:44:36",""
"7063274","15.1843","0.0011","11.2815","0.0003","10.2878","0.0002","90","","99.401","0.007","90","","1738.65","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","'1-benzyl-5-((3,5-dichlorophenyl)thio)-3,4-dihydropyridin-2(1H)-one'","","- C18 H15 Cl2 N O S -","- C18 H15 Cl2 N O S -","- C72 H60 Cl8 N4 O4 S4 -","4","1","","Sanaa, Hamdi; Dondasse, Ismaël; Retailleau, Pascal; Nicolas, Cyril; Gillaizeau, Isabelle","I2 or I2/PIFA one-pot induced system for rapid synthesis of chalcogenated enamides, uracils or 2-pyridones under mild conditions","New Journal of Chemistry","2024","48","28","12793","12799","10.1039/D4NJ01989J","","","1.54187","CuKα","","0.055","0.0448","","","0.1078","0.1231","","","","","","1.0237","","","","has coordinates","293897","2024-08-05","19:46:40",""
"7063275","10.1028","0.0007","7.1224","0.0005","11.7984","0.0007","90","","108.009","0.007","90","","807.38","0.1","293.5","0.5","293.5","0.5","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C4 H14 Cl8 N2 Sn -","- C4 H14 Cl8 N2 Sn -","- C8 H28 Cl16 N4 Sn2 -","2","0.5","","Elghoul, Amal; Hajlaoui, Fadhel; Karoui, Karim; Allain, Magali; Mercier, Nicolas; Kozma, Erika; Botta, Chiara; Zouari, Nabil","Crystal structure, semiconducting and photoluminescence (PL) properties of hybrid tin perovskite-like materials: [Cl–(CH2)2–NH3]2SnCl6 and [Cl–(CH2)2–NH3]2SnBr5.65Cl0.35","New Journal of Chemistry","2024","48","27","12235","12245","10.1039/D4NJ01858C","","","1.54184","CuKα","","0.0442","0.0435","","","0.1311","0.1335","","","","","","1.165","","","","has coordinates,has disorder","293907","2024-08-05","19:48:26",""
"7063276","10.3622","0.0003","7.4473","0.0002","12.3099","0.0003","90","","109.176","0.003","90","","897.25","0.04","293.5","0.5","293.5","0.5","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C4 H14 Br6 Cl2 N2 Sn -","- C4 H14 Br6 Cl2 N2 Sn -","- C8 H28 Br12 Cl4 N4 Sn2 -","2","0.5","","Elghoul, Amal; Hajlaoui, Fadhel; Karoui, Karim; Allain, Magali; Mercier, Nicolas; Kozma, Erika; Botta, Chiara; Zouari, Nabil","Crystal structure, semiconducting and photoluminescence (PL) properties of hybrid tin perovskite-like materials: [Cl–(CH2)2–NH3]2SnCl6 and [Cl–(CH2)2–NH3]2SnBr5.65Cl0.35","New Journal of Chemistry","2024","48","27","12235","12245","10.1039/D4NJ01858C","","","1.54184","CuKα","","0.052","0.0506","","","0.1404","0.1419","","","","","","1.039","","","","has coordinates,has disorder","293907","2024-08-05","19:48:26",""
"7063277","16.1782","0.0007","19.8407","0.0007","26.3583","0.0008","90","","90","","90","","8460.7","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H36 Cd O4 P2 S2 -","- C46 H36 Cd O4 P2 S2 -","- C368 H288 Cd8 O32 P16 S16 -","8","1","","Kumar, Krishna; Shrivastav, Akash; Sakshi,; Choudhury, Angshuman Roy; Bhattacharya, Subrato","Synthesis of a series of Cd(ii) furan-2-thiocarobxylates: unprecedented coordination geometry of a Cd(ii) complex exhibiting catalytic efficiency for the synthesis of 3,4-dihydropyrimidine-2(1H)-one derivatives","New Journal of Chemistry","2024","48","28","12654","12663","10.1039/D3NJ04083F","","","0.71073","MoKα","","0.0717","0.0552","","","0.1381","0.1596","","","","","","1.066","","","","has coordinates","293895","2024-08-05","19:46:15",""
"7063278","10.359","0.003","10.818","0.004","18.626","0.006","86.81","0.016","81.612","0.017","64.754","0.015","1867.7","1.1","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C68.3 H55.5 Cd2 Na2 O14.3 P2 S6 -","- C68.3 H55.5 Cd2 Na2 O14.3 P2 S6 -","- C68.3 H55.5 Cd2 Na2 O14.3 P2 S6 -","1","0.5","","Kumar, Krishna; Shrivastav, Akash; Sakshi,; Choudhury, Angshuman Roy; Bhattacharya, Subrato","Synthesis of a series of Cd(ii) furan-2-thiocarobxylates: unprecedented coordination geometry of a Cd(ii) complex exhibiting catalytic efficiency for the synthesis of 3,4-dihydropyrimidine-2(1H)-one derivatives","New Journal of Chemistry","2024","48","28","12654","12663","10.1039/D3NJ04083F","","","0.71073","MoKα","","0.0518","0.0379","","","0.0887","0.1","","","","","","1.066","","","","has coordinates,has disorder","293895","2024-08-05","19:46:16",""
"7063279","10.3493","0.0002","10.8393","0.0002","18.546","0.0004","87.056","0.002","76.981","0.002","64.866","0.002","1832.76","0.07","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C73 H56 Cd2 Na2 O12 P2 S6 -","- C73 H56 Cd2 Na2 O12 P2 S6 -","- C73 H56 Cd2 Na2 O12 P2 S6 -","1","0.5","","Kumar, Krishna; Shrivastav, Akash; Sakshi,; Choudhury, Angshuman Roy; Bhattacharya, Subrato","Synthesis of a series of Cd(ii) furan-2-thiocarobxylates: unprecedented coordination geometry of a Cd(ii) complex exhibiting catalytic efficiency for the synthesis of 3,4-dihydropyrimidine-2(1H)-one derivatives","New Journal of Chemistry","2024","48","28","12654","12663","10.1039/D3NJ04083F","","","0.71073","MoKα","","0.0781","0.0454","","","0.0777","0.0907","","","","","","1.037","","","","has coordinates,has disorder","293895","2024-08-05","19:46:16",""
"7063280","9.5004","0.0002","12.9536","0.0003","13.7167","0.0003","84.312","0.002","76.622","0.002","81.227","0.002","1619.44","0.06","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H52 Br1.74 Cd2 Cl0.25 O8 P2 S4 -","- C68 H52 Br1.74 Cd2 Cl0.248 O8 P2 S4 -","- C68 H52 Br1.74 Cd2 Cl0.248 O8 P2 S4 -","1","0.5","","Kumar, Krishna; Shrivastav, Akash; Sakshi,; Choudhury, Angshuman Roy; Bhattacharya, Subrato","Synthesis of a series of Cd(ii) furan-2-thiocarobxylates: unprecedented coordination geometry of a Cd(ii) complex exhibiting catalytic efficiency for the synthesis of 3,4-dihydropyrimidine-2(1H)-one derivatives","New Journal of Chemistry","2024","48","28","12654","12663","10.1039/D3NJ04083F","","x-ray","0.71073","MoKα","","0.056","0.0351","","","0.0854","0.0944","","","","","","0.93","","","","has coordinates,has disorder","293895","2024-08-05","19:46:16",""
"7063281","12.6917","0.0003","14.3238","0.0002","14.3792","0.0003","90","","108.136","0.002","90","","2484.18","0.09","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C51 H39 Ag Cd O6 P2 S3 -","- C51 H39 Ag Cd O6 P2 S3 -","- C102 H78 Ag2 Cd2 O12 P4 S6 -","2","1","","Kumar, Krishna; Shrivastav, Akash; Sakshi,; Choudhury, Angshuman Roy; Bhattacharya, Subrato","Synthesis of a series of Cd(ii) furan-2-thiocarobxylates: unprecedented coordination geometry of a Cd(ii) complex exhibiting catalytic efficiency for the synthesis of 3,4-dihydropyrimidine-2(1H)-one derivatives","New Journal of Chemistry","2024","48","28","12654","12663","10.1039/D3NJ04083F","","","0.71073","MoKα","","0.0335","0.0285","","","0.0703","0.0758","","","","","","1.0524","","","","has coordinates,has disorder","293895","2024-08-05","19:46:16",""
"7063282","14.9502","0.0013","10.2847","0.0009","24.072","0.002","90","","99.492","0.004","90","","3650.6","0.5","273.15","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 Br N2 O -","- C19 H23 Br N2 O -","- C152 H184 Br8 N16 O8 -","8","2","","Li, Jun-Fei; Guan, Xiao-Hui; Feng, Hui-Jun; Zhou, Dai-Mei; Liu, Qiao-Yun; Zhang, Wen-Yao; Guo, Cai-Hong; Bai, Jun-Hua; Wang, Jun-Wen","A novel pyrazolium ionic liquid used for CO2 cycloaddition","New Journal of Chemistry","2024","48","28","12706","12712","10.1039/D4NJ01776E","","","1.54178","CuKα","","0.0563","0.0435","","","0.1118","0.1183","","","","","","1.034","","","","has coordinates","293893","2024-08-05","19:45:04",""
"7063283","9.5421","0.0002","9.8378","0.0002","12.7043","0.0002","89.682","0.002","88.449","0.002","63.993","0.002","1071.41","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H44 F6 I2 O12 S2 -","- C38 H44 F6 I2 O12 S2 -","- C38 H44 F6 I2 O12 S2 -","1","0.5","","Sysoeva, Alexandra A.; Novikov, Alexander S.; Il’in, Mikhail V.; Bolotin, Dmitrii S.","Halogen bonded associates of iodonium salts with 18-crown-6: does structural flexibility or structural rigidity of the σ-hole donor provide efficient substrate ligation?","New Journal of Chemistry","2024","48","29","12929","12935","10.1039/D4NJ02105C","","x-ray","1.54184","CuKα","","0.0548","0.0533","","","0.139","0.1404","","","","","","1.083","","","","has coordinates","293887","2024-08-05","19:44:07",""
"7063284","10.1017","0.0004","15.6632","0.0007","14.8448","0.0008","90","","105.269","0.005","90","","2265.9","0.19","120.65","0.1","120.65","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cl2 N8 Ni O16 -","- C12 H16 Cl2 N8 Ni O16 -","- C48 H64 Cl8 N32 Ni4 O64 -","4","1","","Kuang, Bao-long; Zhao, Bin-shan; Lu, Zu-jia; Wang, Ting-wei; Xie, Zhi-ming; Sun, Mou; Yu, Qi-yao; Zhang, Jian-guo","The new dual anion solvent-free nickel complex based on the pyridine-4-carbohydrazide ligand","New Journal of Chemistry","2024","48","29","12873","12876","10.1039/D4NJ02087A","","x-ray","0.71073","MoKα","","0.0593","0.045","","","0.1012","0.1115","","","","","","1.039","","","","has coordinates","293886","2024-08-05","19:43:57",""
"7063285","9.406","0.003","12.232","0.003","15.42","0.004","72.748","0.004","73.634","0.004","69.98","0.004","1559.5","0.7","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H15 Cl -","- C20 H15 Cl -","- C80 H60 Cl4 -","4","2","","Li, Zhuo-Cheng; Cui, Hao; Xu, Su-Hang; Zhang, Zi-Hang; Liang, Zuo-Qin; Ye, Chang-Qing; Wang, Xiao-Mei","Effect of cis/trans isomerization on the photochromic performances of triphenylethylene","New Journal of Chemistry","2024","48","28","12834","12840","10.1039/D4NJ02060J","","","0.71073","MoKα","","0.1135","0.0752","","","0.282","0.3248","","","","","","1.076","","","","has coordinates","293892","2024-08-05","19:44:55",""
"7063286","8.4084","0.0018","16.183","0.003","10.936","0.002","90","","92.264","0.003","90","","1486.9","0.5","296","2","296","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 -","- C20 H16 -","- C80 H64 -","4","1","","Li, Zhuo-Cheng; Cui, Hao; Xu, Su-Hang; Zhang, Zi-Hang; Liang, Zuo-Qin; Ye, Chang-Qing; Wang, Xiao-Mei","Effect of cis/trans isomerization on the photochromic performances of triphenylethylene","New Journal of Chemistry","2024","48","28","12834","12840","10.1039/D4NJ02060J","","","0.71073","MoKα","","0.1015","0.0848","","","0.2955","0.3348","","","","","","1.032","","","","has coordinates","293892","2024-08-05","19:44:55",""
"7063287","9.38","0.002","12.428","0.004","15.481","0.004","72.298","0.005","72.889","0.004","70.044","0.003","1579","0.7","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H30 Br2 -","- C40 H30 Br2 -","- C80 H60 Br4 -","2","1","","Li, Zhuo-Cheng; Cui, Hao; Xu, Su-Hang; Zhang, Zi-Hang; Liang, Zuo-Qin; Ye, Chang-Qing; Wang, Xiao-Mei","Effect of cis/trans isomerization on the photochromic performances of triphenylethylene","New Journal of Chemistry","2024","48","28","12834","12840","10.1039/D4NJ02060J","","","0.71073","MoKα","","0.1615","0.0615","","","0.1531","0.188","","","","","","1.009","","","","has coordinates","293892","2024-08-05","19:44:55",""
"7063288","18.104","0.009","8.521","0.004","19.345","0.009","90","","90","","90","","2984","2","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H14 F -","- C20 H14 F -","- C160 H112 F8 -","8","1","","Li, Zhuo-Cheng; Cui, Hao; Xu, Su-Hang; Zhang, Zi-Hang; Liang, Zuo-Qin; Ye, Chang-Qing; Wang, Xiao-Mei","Effect of cis/trans isomerization on the photochromic performances of triphenylethylene","New Journal of Chemistry","2024","48","28","12834","12840","10.1039/D4NJ02060J","","","0.71073","MoKα","","0.1185","0.0546","","","0.12","0.1461","","","","","","1.012","","","","has coordinates","293892","2024-08-05","19:44:55",""
"7063289","27.7164","0.0013","7.258","0.0003","17.6388","0.0007","90","","118.023","0.001","90","","3132.3","0.2","298.06","","298.06","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 F N3 -","- C20 H12 F N3 -","- C160 H96 F8 N24 -","8","1","","Feng, Yang; Wu, Yuanyuan; Yue, Zengjiang; Fu, Ying; Du, Zhengyin","Synthesis of 2-fluorinated pyrazolo[1,5-a]pyridines via base- mediated [3+2] cycloaddition of N-aminopyridinium salts with gem-difluorostyrenes","New Journal of Chemistry","2024","48","28","12496","12500","10.1039/D4NJ02150A","","","0.71073","MoKα","","0.0878","0.0459","","","0.0965","0.1171","","","","","","1.027","","","","has coordinates","293891","2024-08-05","19:44:44",""
"7063290","16.1068","0.0017","5.7977","0.0006","7.4341","0.0008","90","","94.755","0.004","90","","691.82","0.13","125","2","125","2","","","","","","","","5","P 1 c 1","P -2yc","7","","(<i>Z</i>)-4-(2-(4-bromophenyl)hydrazineylidene)-1-phenylpyrazolidine-3,5-dione","","- C15 H11 Br N4 O2 -","- C15 H11 Br N4 O2 -","- C30 H22 Br2 N8 O4 -","2","1","","El Bakri, Youness; Siddique, Sabir Ali; Mohamed, Shaaban K.; Sarfraz, Muhammad; Abuelizz, Hatem A.; Al-Salahi, Rashad; Mague, Joel T.; Ahmed, Eman A.","Synthesis, investigation of the crystal structure, DFT calculations, and in silico medicinal potential of hydrazono- and aminomethylene substituted pyrazolidine-3,5-diones as potential anticancer scaffolds","New Journal of Chemistry","2024","48","28","12591","12608","10.1039/D4NJ01839G","","","0.71073","MoKα","","0.0485","0.0419","","","0.106","0.1092","","","","","","1.094","","","","has coordinates","293896","2024-08-05","19:46:27",""
"7063291","6.1973","0.0008","10.2465","0.0013","20.461","0.003","102.548","0.004","94.531","0.004","95.302","0.004","1256.2","0.3","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-1-phenyl-4-((pyridin-2-ylamino)methylene)pyrazolidine-3,5-dione","","- C15 H12 N4 O2 -","- C15 H12 N4 O2 -","- C60 H48 N16 O8 -","4","2","","El Bakri, Youness; Siddique, Sabir Ali; Mohamed, Shaaban K.; Sarfraz, Muhammad; Abuelizz, Hatem A.; Al-Salahi, Rashad; Mague, Joel T.; Ahmed, Eman A.","Synthesis, investigation of the crystal structure, DFT calculations, and in silico medicinal potential of hydrazono- and aminomethylene substituted pyrazolidine-3,5-diones as potential anticancer scaffolds","New Journal of Chemistry","2024","48","28","12591","12608","10.1039/D4NJ01839G","","","0.71073","MoKα","","0.1116","0.0856","","","0.2151","0.2266","","","","","","1.09","","","","has coordinates","293896","2024-08-05","19:46:28",""
"7063292","14.83","0.03","11.46","0.02","13.39","0.03","90","","90.44","0.04","90","","2276","8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N9 O2 S -","- C24 H26 N6 O2 S -","- C96 H104 N24 O8 S4 -","4","1","","Iniyaval, Shunmugam; Saravanan, Vadivel; Mai, Chun-Wai; Ramalingan, Chennan","Tetrazolopyrimidine-tethered phenothiazine molecular hybrids: synthesis, biological and molecular docking studies","New Journal of Chemistry","2024","48","30","13384","13396","10.1039/D3NJ05817D","","","0.71073","MoKα","","0.143","0.066","","","0.1276","0.1547","","","","","","1.022","","","","has coordinates","293912","2024-08-05","19:49:44",""
"7063293","6.8003","0.0004","17.1874","0.0009","7.9486","0.0004","90","","101.531","0.002","90","","910.28","0.09","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H13 Br N2 -","- C7 H13 Br N2 -","- C28 H52 Br4 N8 -","4","1","","Scheuren, Marija; Sommers, Rachel C.; Boucher, Mairead; Carlos, Christiane; Hillesheim, Patrick C.","A dime a dozen: common structural attributes of 1,2-dimethylimidazolium halide ionic liquids","New Journal of Chemistry","2024","48","29","13069","13079","10.1039/D4NJ01422G","","","0.71073","MoKα","","0.0345","0.0251","","","0.057","0.0597","","","","","","1.093","","","","has coordinates","293883","2024-08-05","19:43:00",""
"7063294","9.0499","0.0004","7.8198","0.0003","13.5789","0.0005","90","","95.844","0.001","90","","955.96","0.07","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H13 I N2 -","- C7 H13 I N2 -","- C28 H52 I4 N8 -","4","1","","Scheuren, Marija; Sommers, Rachel C.; Boucher, Mairead; Carlos, Christiane; Hillesheim, Patrick C.","A dime a dozen: common structural attributes of 1,2-dimethylimidazolium halide ionic liquids","New Journal of Chemistry","2024","48","29","13069","13079","10.1039/D4NJ01422G","","","0.71073","MoKα","","0.0243","0.0216","","","0.0432","0.0439","","","","","","1.195","","","","has coordinates","293883","2024-08-05","19:43:01",""
"7063295","4.7996","0.0011","11.34","0.003","12.006","0.003","90","","90.465","0.009","90","","653.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4,7,10-tetrafluorodibenzo[c,g][1,2,5,6]tetrathiocine","","- C12 H4 F4 S4 -","- C12 H4 F4 S4 -","- C24 H8 F8 S8 -","2","0.5","","Buravlev, Alexander A.; Makarov, Alexander Yu.; Salnikov, Georgy E.; Genaev, Alexander M.; Bagryanskaya, Irina Yu.; Nikulshin, Pavel V.; Platonov, Vyacheslav E.; Zibarev, Andrey V.","Synthesis, structural peculiarities, and photosensitivity of fluorinated dibenzo-1,2,5,6-tetrathiocines","New Journal of Chemistry","2024","48","28","12807","12816","10.1039/D4NJ02284J","","","0.71073","MoKα","","0.0821","0.0483","","","0.1361","0.1591","","","","","","1.044","","","","has coordinates","293902","2024-08-05","19:47:38",""
"7063296","16.0085","0.0007","11.8439","0.0004","10.6197","0.0004","90","","91.983","0.002","90","","2012.32","0.13","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","perfluorodiindeno[5,6-c:5',6'-g][1,2,5,6]tetrathiocine","","- C18 F16 S4 -","- C18 F16 S4 -","- C72 F64 S16 -","4","0.5","","Buravlev, Alexander A.; Makarov, Alexander Yu.; Salnikov, Georgy E.; Genaev, Alexander M.; Bagryanskaya, Irina Yu.; Nikulshin, Pavel V.; Platonov, Vyacheslav E.; Zibarev, Andrey V.","Synthesis, structural peculiarities, and photosensitivity of fluorinated dibenzo-1,2,5,6-tetrathiocines","New Journal of Chemistry","2024","48","28","12807","12816","10.1039/D4NJ02284J","","","0.71073","MoKα","","0.0393","0.0333","","","0.082","0.0865","","","","","","1.047","","","","has coordinates","293902","2024-08-05","19:47:38",""
"7063297","4.4346","0.0004","29.235","0.003","10.3338","0.0011","90","","100.54","0.004","90","","1317.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4,8,11-tetrafluorodibenzo[d,g][1,2,3,6]tetrathiocine","","- C12 H4 F4 S4 -","- C12 H4 F4 S4 -","- C48 H16 F16 S16 -","4","1","","Buravlev, Alexander A.; Makarov, Alexander Yu.; Salnikov, Georgy E.; Genaev, Alexander M.; Bagryanskaya, Irina Yu.; Nikulshin, Pavel V.; Platonov, Vyacheslav E.; Zibarev, Andrey V.","Synthesis, structural peculiarities, and photosensitivity of fluorinated dibenzo-1,2,5,6-tetrathiocines","New Journal of Chemistry","2024","48","28","12807","12816","10.1039/D4NJ02284J","","","0.71073","MoKα","","0.058","0.041","","","0.0905","0.0985","","","","","","1.017","","","","has coordinates","293902","2024-08-05","19:47:39",""
"7063298","9.0063","0.0005","9.107","0.0005","13.7547","0.0007","101.99","0.002","101.874","0.002","93.494","0.002","1073.59","0.1","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","(1,1,2,2,3,3,4,7-octafluoro-2,3-dihydro-1H-indene-5,6-diyl) bis(benzylsulfane)","","- C23 H14 F8 S2 -","- C23 H14 F8 S2 -","- C46 H28 F16 S4 -","2","1","","Buravlev, Alexander A.; Makarov, Alexander Yu.; Salnikov, Georgy E.; Genaev, Alexander M.; Bagryanskaya, Irina Yu.; Nikulshin, Pavel V.; Platonov, Vyacheslav E.; Zibarev, Andrey V.","Synthesis, structural peculiarities, and photosensitivity of fluorinated dibenzo-1,2,5,6-tetrathiocines","New Journal of Chemistry","2024","48","28","12807","12816","10.1039/D4NJ02284J","","","0.71073","MoKα","","0.0618","0.0476","","","0.1257","0.1372","","","","","","1.02","","","","has coordinates","293902","2024-08-05","19:47:39",""
"7063299","13.8694","0.0004","29.3492","0.0006","19.4086","0.0005","90","","109.326","0.003","90","","7455.2","0.4","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59.12 H67.12 Br8 N19.12 O16 S0.88 -","- C59.117 H67.117 Br8 N19.117 O16 S0.883 -","- C236.468 H268.468 Br32 N76.468 O64 S3.532 -","4","1","","Guseinov, Firudin I.; Ovsyannikov, Viacheslav O.; Shuvalova, Elena V.; Kustov, Leonid M.; Kobrakov, Konstantin I.; Samigullina, Aida I.; Mahmudov, Kamran T.","Unexpected 20-membered macrocycles obtained by the condensation of α,α-dihalo-β-oxoaldehydes with diaminofurazan","New Journal of Chemistry","2024","48","29","12869","12872","10.1039/D4NJ01789G","","x-ray","1.54184","CuKα","","0.1258","0.1193","","","0.243","0.2458","","","","","","1.15","","","","has coordinates,has disorder","293884","2024-08-05","19:43:27",""
"7063300","9.7467","0.0002","17.967","0.0004","21.3451","0.0004","78.32","0.002","88.543","0.002","81.663","0.002","3621.82","0.13","100","0.1","100","0.1","","","","","","","","6","P 1","P 1","1","","","","- C108.13 H109.13 Cl24 N35.13 O24 S5.87 -","- C108.132 H109.132 Cl24 N35.132 O24 S5.868 -","- C108.132 H109.132 Cl24 N35.132 O24 S5.868 -","1","1","","Guseinov, Firudin I.; Ovsyannikov, Viacheslav O.; Shuvalova, Elena V.; Kustov, Leonid M.; Kobrakov, Konstantin I.; Samigullina, Aida I.; Mahmudov, Kamran T.","Unexpected 20-membered macrocycles obtained by the condensation of α,α-dihalo-β-oxoaldehydes with diaminofurazan","New Journal of Chemistry","2024","48","29","12869","12872","10.1039/D4NJ01789G","","x-ray","1.54184","CuKα","","0.0592","0.054","","","0.1396","0.1428","","","","","","1.042","","","","has coordinates,has disorder","293884","2024-08-05","19:43:28",""
"7063301","18.1145","0.0006","23.3689","0.0005","19.397","0.0005","90","","112.866","0.003","90","","7565.8","0.4","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H41 Br8 Cl4 N18 O10 -","- C50 H41 Br8 Cl4 N18 O10 -","- C200 H164 Br32 Cl16 N72 O40 -","4","1","","Guseinov, Firudin I.; Ovsyannikov, Viacheslav O.; Shuvalova, Elena V.; Kustov, Leonid M.; Kobrakov, Konstantin I.; Samigullina, Aida I.; Mahmudov, Kamran T.","Unexpected 20-membered macrocycles obtained by the condensation of α,α-dihalo-β-oxoaldehydes with diaminofurazan","New Journal of Chemistry","2024","48","29","12869","12872","10.1039/D4NJ01789G","","x-ray","1.54184","CuKα","","0.1219","0.0776","","","0.2208","0.2498","","","","","","1.116","","","","has coordinates,has disorder","293884","2024-08-05","19:43:28",""
"7063302","8.8352","0.0008","23.42","0.002","5.8137","0.0005","90","","94.834","0.001","90","","1198.69","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","1","","Mertsalov, Dmitriy F.; Shchevnikov, Dmitriy M.; Lovtsevich, Lala V.; Novikov, Roman A.; Khrustalev, Victor N.; Grigoriev, Mikhail S.; Romanycheva, Anna A.; Shetnev, Anton A.; Bychkova, Olga P.; Trenin, Alexey S.; Zaytsev, Vladimir P.","The short route to chalcogenurea-substituted 3a,6-epoxyisoindoles via an intramolecular Diels–Alder furan (IMDAF) reaction. Antibacterial and antifungal activity","New Journal of Chemistry","2024","48","29","12947","12959","10.1039/D4NJ01174K","","","1.54184","CuKα","","0.0603","0.0578","","","0.145","0.1471","","","","","","1.061","","","","has coordinates","293888","2024-08-05","19:44:19",""
"7063303","6.31793","0.00012","9.33602","0.00018","23.988","0.0005","90","","90","","90","","1414.92","0.05","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Cl N2 O Se -","- C15 H15 Cl N2 O Se -","- C60 H60 Cl4 N8 O4 Se4 -","4","1","","Mertsalov, Dmitriy F.; Shchevnikov, Dmitriy M.; Lovtsevich, Lala V.; Novikov, Roman A.; Khrustalev, Victor N.; Grigoriev, Mikhail S.; Romanycheva, Anna A.; Shetnev, Anton A.; Bychkova, Olga P.; Trenin, Alexey S.; Zaytsev, Vladimir P.","The short route to chalcogenurea-substituted 3a,6-epoxyisoindoles via an intramolecular Diels–Alder furan (IMDAF) reaction. Antibacterial and antifungal activity","New Journal of Chemistry","2024","48","29","12947","12959","10.1039/D4NJ01174K","","","1.54184","CuKα","","0.0299","0.029","","","0.0745","0.075","","","","","","1.137","","","","has coordinates","293888","2024-08-05","19:44:19",""
"7063304","6.5229","0.0011","9.1181","0.0015","24.346","0.004","90","","90","","90","","1448","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O2 Se -","- C16 H18 N2 O2 Se -","- C64 H72 N8 O8 Se4 -","4","1","","Mertsalov, Dmitriy F.; Shchevnikov, Dmitriy M.; Lovtsevich, Lala V.; Novikov, Roman A.; Khrustalev, Victor N.; Grigoriev, Mikhail S.; Romanycheva, Anna A.; Shetnev, Anton A.; Bychkova, Olga P.; Trenin, Alexey S.; Zaytsev, Vladimir P.","The short route to chalcogenurea-substituted 3a,6-epoxyisoindoles via an intramolecular Diels–Alder furan (IMDAF) reaction. Antibacterial and antifungal activity","New Journal of Chemistry","2024","48","29","12947","12959","10.1039/D4NJ01174K","","","0.745","synchrotron","","0.0394","0.0389","","","0.093","0.0933","","","","","","1.091","","","","has coordinates","293888","2024-08-05","19:44:19",""
"7063305","13.8056","0.0006","8.4418","0.0005","11.6065","0.0006","90","","94.293","0.003","90","","1348.87","0.12","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 F N2 O S -","- C15 H15 F N2 O S -","- C60 H60 F4 N8 O4 S4 -","4","1","","Mertsalov, Dmitriy F.; Shchevnikov, Dmitriy M.; Lovtsevich, Lala V.; Novikov, Roman A.; Khrustalev, Victor N.; Grigoriev, Mikhail S.; Romanycheva, Anna A.; Shetnev, Anton A.; Bychkova, Olga P.; Trenin, Alexey S.; Zaytsev, Vladimir P.","The short route to chalcogenurea-substituted 3a,6-epoxyisoindoles via an intramolecular Diels–Alder furan (IMDAF) reaction. Antibacterial and antifungal activity","New Journal of Chemistry","2024","48","29","12947","12959","10.1039/D4NJ01174K","","","0.71073","MoKα","","0.0915","0.0435","","","0.0837","0.0997","","","","","","0.999","","","","has coordinates","293888","2024-08-05","19:44:19",""
"7063306","16.1016","0.0011","10.6366","0.0008","25.107","0.002","90","","107.172","0.005","90","","4108.3","0.5","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Monoclinic","","- C38 H58 Co Dy N2 O12 -","- C38 H58 Co Dy N2 O12 -","- C152 H232 Co4 Dy4 N8 O48 -","4","0.5","","Barman, Nandini; Halder, Purbashree; Mukhopadhyay, Subrata; Schwarz, Björn; Colacio, Enrique; Rana, Rajanikanta; Rajaraman, Gopalan; Goura, Joydeb","Synthesis, structure, and magnetic properties of diamagnetic Co(iii) ion-based heterometallic CoIII–LnIII (Ln = Dy, Tb, Ho, Er) complexes","New Journal of Chemistry","2024","48","36","15735","15746","10.1039/D4NJ02058H","","","0.71073","MoKα","","0.0528","0.042","","","0.0874","0.0915","","","","","","1.173","","","","has coordinates","295307","2024-10-06","09:04:47",""
"7063307","16.1293","0.001","10.6538","0.001","25.171","0.002","90","","107.014","0.003","90","","4136","0.6","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Monoclinic","","- C38 H58 Co N2 O12 Tb -","- C38 H58 Co N2 O12 Tb -","- C152 H232 Co4 N8 O48 Tb4 -","4","0.5","","Barman, Nandini; Halder, Purbashree; Mukhopadhyay, Subrata; Schwarz, Björn; Colacio, Enrique; Rana, Rajanikanta; Rajaraman, Gopalan; Goura, Joydeb","Synthesis, structure, and magnetic properties of diamagnetic Co(iii) ion-based heterometallic CoIII–LnIII (Ln = Dy, Tb, Ho, Er) complexes","New Journal of Chemistry","2024","48","36","15735","15746","10.1039/D4NJ02058H","","","0.71073","MoKα","","0.052","0.0505","","","0.1249","0.1254","","","","","","1.454","","","","has coordinates","295307","2024-10-06","09:04:47",""
"7063308","16.1225","0.0011","10.6783","0.0011","25.104","0.002","90","","107.219","0.003","90","","4128.2","0.6","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Monoclinic","","- C38 H58 Co Er N2 O12 -","- C38 H58 Co Er N2 O12 -","- C152 H232 Co4 Er4 N8 O48 -","4","0.5","","Barman, Nandini; Halder, Purbashree; Mukhopadhyay, Subrata; Schwarz, Björn; Colacio, Enrique; Rana, Rajanikanta; Rajaraman, Gopalan; Goura, Joydeb","Synthesis, structure, and magnetic properties of diamagnetic Co(iii) ion-based heterometallic CoIII–LnIII (Ln = Dy, Tb, Ho, Er) complexes","New Journal of Chemistry","2024","48","36","15735","15746","10.1039/D4NJ02058H","","","0.71073","MoKα","","0.0381","0.0343","","","0.0709","0.0719","","","","","","1.266","","","","has coordinates","295307","2024-10-06","09:04:47",""
"7063309","16.125","0.001","10.6664","0.001","25.1229","0.0018","90","","107.197","0.003","90","","4127.9","0.6","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Monoclinic","","- C38 H58 Co Ho N2 O12 -","- C38 H58 Co Ho N2 O12 -","- C152 H232 Co4 Ho4 N8 O48 -","4","0.5","","Barman, Nandini; Halder, Purbashree; Mukhopadhyay, Subrata; Schwarz, Björn; Colacio, Enrique; Rana, Rajanikanta; Rajaraman, Gopalan; Goura, Joydeb","Synthesis, structure, and magnetic properties of diamagnetic Co(iii) ion-based heterometallic CoIII–LnIII (Ln = Dy, Tb, Ho, Er) complexes","New Journal of Chemistry","2024","48","36","15735","15746","10.1039/D4NJ02058H","","","0.71073","MoKα","","0.025","0.0235","","","0.0544","0.0549","","","","","","1.226","","","","has coordinates","295307","2024-10-06","09:04:47",""
"7063310","10.9691","0.0003","10.496","0.0003","16.1832","0.0005","90","","102.751","0.004","90","","1817.25","0.1","290","","290","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H48 N4 S8 Zn2 -","- C28 H48 N4 S8 Zn2 -","- C56 H96 N8 S16 Zn4 -","2","0.5","","Jaiswal, Shubham; Rai, Nilesh; Chandra, Suryansh; Verma, Ashish; Gautam, Vibhav; Adhikari, Manu; Singh, Sanjay; Bharty, M. K.","Design, synthesis, and structural evaluation of metal complexes of azepane-1-carbodithioate for targeting human breast cancer: investigating cytotoxic activity against the MDA-MB-231 cell line","New Journal of Chemistry","2024","48","30","13589","13601","10.1039/D4NJ01878H","","x-ray","0.71073","MoKα","","0.0762","0.0496","","","0.133","0.1583","","","","","","1.042","","","","has coordinates","293914","2024-08-05","19:50:29",""
"7063311","6.6607","0.0002","9.1275","0.0003","14.825","0.0004","90","","100.119","0.003","90","","887.27","0.05","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 Cu N2 S4 -","- C14 H24 Cu N2 S4 -","- C28 H48 Cu2 N4 S8 -","2","0.5","","Jaiswal, Shubham; Rai, Nilesh; Chandra, Suryansh; Verma, Ashish; Gautam, Vibhav; Adhikari, Manu; Singh, Sanjay; Bharty, M. K.","Design, synthesis, and structural evaluation of metal complexes of azepane-1-carbodithioate for targeting human breast cancer: investigating cytotoxic activity against the MDA-MB-231 cell line","New Journal of Chemistry","2024","48","30","13589","13601","10.1039/D4NJ01878H","","","0.71073","MoKα","","0.0365","0.0314","","","0.0862","0.0919","","","","","","1.0385","","","","has coordinates","293914","2024-08-05","19:50:29",""
"7063312","11.9602","0.0003","12.6535","0.0004","9.3035","0.0002","90","","92.787","0.002","90","","1406.31","0.06","290","","290","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 Hg N S2 -","- C13 H17 Hg N S2 -","- C52 H68 Hg4 N4 S8 -","4","1","","Jaiswal, Shubham; Rai, Nilesh; Chandra, Suryansh; Verma, Ashish; Gautam, Vibhav; Adhikari, Manu; Singh, Sanjay; Bharty, M. K.","Design, synthesis, and structural evaluation of metal complexes of azepane-1-carbodithioate for targeting human breast cancer: investigating cytotoxic activity against the MDA-MB-231 cell line","New Journal of Chemistry","2024","48","30","13589","13601","10.1039/D4NJ01878H","","","0.71073","MoKα","","0.0311","0.0296","","","0.0784","0.0804","","","","","","1.0345","","","","has coordinates","293914","2024-08-05","19:50:29",""
"7063313","12.0012","0.0012","15.8404","0.0016","16.6915","0.0016","90","","91.005","0.01","90","","3172.6","0.5","290","2","290","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H37 Cl2 Co N3 S6 -","- C21 H35 Co N3 S6 -","- C84 H140 Co4 N12 S24 -","4","1","","Jaiswal, Shubham; Rai, Nilesh; Chandra, Suryansh; Verma, Ashish; Gautam, Vibhav; Adhikari, Manu; Singh, Sanjay; Bharty, M. K.","Design, synthesis, and structural evaluation of metal complexes of azepane-1-carbodithioate for targeting human breast cancer: investigating cytotoxic activity against the MDA-MB-231 cell line","New Journal of Chemistry","2024","48","30","13589","13601","10.1039/D4NJ01878H","","","0.71073","MoKα","","0.0778","0.0525","","","0.147","0.1772","","","","","","1.0836","","","","has coordinates,has disorder","293914","2024-08-05","19:50:29",""
"7063314","11.2692","0.0004","10.0561","0.0004","18.5744","0.0006","90","","94.113","0.002","90","","2099.51","0.13","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H28 N4 P2 Pd S -","- C15 H28 N4 P2 Pd S -","- C60 H112 N16 P8 Pd4 S4 -","4","1","","Kwon, Hyoung Soon; Park, Geon Hyeong; Ju, Huiyeong; Lee, Eunji; Kim, Yong-Joo","Facile formation of tetrazole–thiolato Pd(ii) and Pt(ii) complexes through deprotonation or oxidative addition using organic tetrazole–thiones","New Journal of Chemistry","2024","48","30","13358","13372","10.1039/D4NJ01429D","","","0.71073","MoKα","","0.0216","0.019","","","0.0496","0.0524","","","","","","1.068","","","","has coordinates","293917","2024-08-05","19:51:15",""
"7063315","12.1391","0.0007","19.4487","0.0011","15.6956","0.0008","90","","90","","90","","3705.6","0.4","223","2","223","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C29 H44 Cl2 N8 P2 Pd S2 -","- C29 H44 Cl2 N8 P2 Pd S2 -","- C116 H176 Cl8 N32 P8 Pd4 S8 -","4","0.5","","Kwon, Hyoung Soon; Park, Geon Hyeong; Ju, Huiyeong; Lee, Eunji; Kim, Yong-Joo","Facile formation of tetrazole–thiolato Pd(ii) and Pt(ii) complexes through deprotonation or oxidative addition using organic tetrazole–thiones","New Journal of Chemistry","2024","48","30","13358","13372","10.1039/D4NJ01429D","","","0.71073","MoKα","","0.0451","0.0313","","","0.0568","0.0606","","","","","","1.053","","","","has coordinates","293917","2024-08-05","19:51:16",""
"7063316","11.205","0.007","11.285","0.007","17.208","0.013","104.35","0.02","99.31","0.02","99.89","0.02","2029","2","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C11 H26 Cl2 N4 P2 Pt S -","- C11 H26 Cl2 N4 P2 Pt S -","- C44 H104 Cl8 N16 P8 Pt4 S4 -","4","2","","Kwon, Hyoung Soon; Park, Geon Hyeong; Ju, Huiyeong; Lee, Eunji; Kim, Yong-Joo","Facile formation of tetrazole–thiolato Pd(ii) and Pt(ii) complexes through deprotonation or oxidative addition using organic tetrazole–thiones","New Journal of Chemistry","2024","48","30","13358","13372","10.1039/D4NJ01429D","","","0.71073","MoKα","","0.037","0.0312","","","0.0781","0.0813","","","","","","1.042","","","","has coordinates","293917","2024-08-05","19:51:24",""
"7063317","6.5317","0.0009","9.9539","0.0015","14.2527","0.0019","93.109","0.004","94.011","0.004","90.74","0.004","922.9","0.2","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H26 N4 P2 Pt S -","- C11 H26 N4 P2 Pt S -","- C22 H52 N8 P4 Pt2 S2 -","2","1","","Kwon, Hyoung Soon; Park, Geon Hyeong; Ju, Huiyeong; Lee, Eunji; Kim, Yong-Joo","Facile formation of tetrazole–thiolato Pd(ii) and Pt(ii) complexes through deprotonation or oxidative addition using organic tetrazole–thiones","New Journal of Chemistry","2024","48","30","13358","13372","10.1039/D4NJ01429D","","","0.71073","MoKα","","0.027","0.0223","","","0.0497","0.0513","","","","","","1.092","","","","has coordinates","293917","2024-08-05","19:51:24",""
"7063318","10.6808","0.0011","12.614","0.0013","17.6449","0.0016","90","","102.441","0.003","90","","2321.4","0.4","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N4 P2 Pt S -","- C20 H28 N4 P2 Pt S -","- C80 H112 N16 P8 Pt4 S4 -","4","1","","Kwon, Hyoung Soon; Park, Geon Hyeong; Ju, Huiyeong; Lee, Eunji; Kim, Yong-Joo","Facile formation of tetrazole–thiolato Pd(ii) and Pt(ii) complexes through deprotonation or oxidative addition using organic tetrazole–thiones","New Journal of Chemistry","2024","48","30","13358","13372","10.1039/D4NJ01429D","","","0.71073","MoKα","","0.0662","0.0449","","","0.0924","0.0997","","","","","","1.057","","","","has coordinates","293917","2024-08-05","19:51:24",""
"7063319","10.481","0.002","14.414","0.004","18.274","0.005","90","","106.241","0.007","90","","2650.5","1.2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H34 N8 P2 Pd S2 -","- C18 H34 N8 P2 Pd S2 -","- C72 H136 N32 P8 Pd4 S8 -","4","1","","Kwon, Hyoung Soon; Park, Geon Hyeong; Ju, Huiyeong; Lee, Eunji; Kim, Yong-Joo","Facile formation of tetrazole–thiolato Pd(ii) and Pt(ii) complexes through deprotonation or oxidative addition using organic tetrazole–thiones","New Journal of Chemistry","2024","48","30","13358","13372","10.1039/D4NJ01429D","","","0.71073","MoKα","","0.0411","0.0303","","","0.0818","0.0927","","","","","","1.021","","","","has coordinates,has disorder","293917","2024-08-05","19:51:24",""
"7063320","12.572","0.005","8.002","0.002","16.371","0.005","90","","101.725","0.011","90","","1612.6","0.9","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N4 O S -","- C17 H16 N4 O S -","- C68 H64 N16 O4 S4 -","4","1","","Kwon, Hyoung Soon; Park, Geon Hyeong; Ju, Huiyeong; Lee, Eunji; Kim, Yong-Joo","Facile formation of tetrazole–thiolato Pd(ii) and Pt(ii) complexes through deprotonation or oxidative addition using organic tetrazole–thiones","New Journal of Chemistry","2024","48","30","13358","13372","10.1039/D4NJ01429D","","","0.71073","MoKα","","0.0814","0.0547","","","0.165","0.2001","","","","","","1.109","","","","has coordinates","293917","2024-08-05","19:51:24",""
"7063321","9.802","0.002","19.264","0.004","12.273","0.003","90","","113.057","0.007","90","","2132.3","0.8","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H28 N4 P2 Pt S -","- C15 H28 N4 P2 Pt S -","- C60 H112 N16 P8 Pt4 S4 -","4","1","","Kwon, Hyoung Soon; Park, Geon Hyeong; Ju, Huiyeong; Lee, Eunji; Kim, Yong-Joo","Facile formation of tetrazole–thiolato Pd(ii) and Pt(ii) complexes through deprotonation or oxidative addition using organic tetrazole–thiones","New Journal of Chemistry","2024","48","30","13358","13372","10.1039/D4NJ01429D","","","0.71073","MoKα","","0.0255","0.0202","","","0.0449","0.047","","","","","","1.068","","","","has coordinates","293917","2024-08-05","19:51:24",""
"7063322","8.826","0.004","8.825","0.003","20.483","0.009","90","","100.22","0.02","90","","1570.1","1.1","296","","296","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","Ag7B9H2O18","","- Ag7 B9 H2 O18 -","- Ag7 B9 H2 O18 -","- Ag28 B36 H8 O72 -","4","0.5","","Huai, Lei; Liu, Wenlong; Zhang, Bei-Bei; Tang, Ru-Ling; Lv, Yi-Lei; Wei, Yue-Qi; Guo, Sheng-Ping","Exploration of silver borates with diverse low-dimensional anion frameworks by introducing monovalent heteroanions","New Journal of Chemistry","2024","48","31","13805","13813","10.1039/D4NJ01687D","","","0.71073","MoKα","","0.0384","0.028","","","0.0556","0.0592","","","","","","1.032","","","","has coordinates","294605","2024-09-06","01:43:43",""
"7063323","13.7794","0.0008","10.7272","0.0006","21.5856","0.0012","90","","95.604","0.002","90","","3175.4","0.3","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1","","- Ag8 B8 Cl2 O15 -","- Ag8 B8 Cl2 O15 -","- Ag64 B64 Cl16 O120 -","8","1","","Huai, Lei; Liu, Wenlong; Zhang, Bei-Bei; Tang, Ru-Ling; Lv, Yi-Lei; Wei, Yue-Qi; Guo, Sheng-Ping","Exploration of silver borates with diverse low-dimensional anion frameworks by introducing monovalent heteroanions","New Journal of Chemistry","2024","48","31","13805","13813","10.1039/D4NJ01687D","","","0.71073","MoKα","","0.089","0.0442","","","0.0528","0.0596","","","","","","1.031","","","","has coordinates","294605","2024-09-06","01:43:44",""
"7063324","8.7338","0.0003","8.808","0.0003","10.8986","0.0003","79.573","0.001","89.317","0.001","75.242","0.001","796.84","0.04","296","","296","","","","","","","","","5","P -1","-P 1","2","","1282","","- Ag8 B8 Br H O16 -","- Ag8 B8 Br H O16 -","- Ag16 B16 Br2 H2 O32 -","2","1","","Huai, Lei; Liu, Wenlong; Zhang, Bei-Bei; Tang, Ru-Ling; Lv, Yi-Lei; Wei, Yue-Qi; Guo, Sheng-Ping","Exploration of silver borates with diverse low-dimensional anion frameworks by introducing monovalent heteroanions","New Journal of Chemistry","2024","48","31","13805","13813","10.1039/D4NJ01687D","","","0.71073","MoKα","","0.0307","0.0233","","","0.0454","0.0479","","","","","","1.022","","","","has coordinates","294605","2024-09-06","01:43:44",""
"7063325","13.4121","0.0005","12.5734","0.0004","25.1948","0.0009","90","","93.062","0.001","90","","4242.7","0.3","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4","","- Ag11 B8 I3 O16 -","- Ag11 B8 I3 O16 -","- Ag88 B64 I24 O128 -","8","1","","Huai, Lei; Liu, Wenlong; Zhang, Bei-Bei; Tang, Ru-Ling; Lv, Yi-Lei; Wei, Yue-Qi; Guo, Sheng-Ping","Exploration of silver borates with diverse low-dimensional anion frameworks by introducing monovalent heteroanions","New Journal of Chemistry","2024","48","31","13805","13813","10.1039/D4NJ01687D","","","0.71073","MoKα","","0.0272","0.0219","","","0.0398","0.0413","","","","","","1.077","","","","has coordinates,has disorder","294605","2024-09-06","01:43:44",""
"7063326","10.5992","0.0004","11.0566","0.0006","17.7045","0.0009","83.606","0.004","72.798","0.004","61.983","0.004","1748.79","0.17","137","2","137","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H29 Br3 Cl4 Fe N O -","- C35 H29 Br3 Cl4 Fe N O -","- C70 H58 Br6 Cl8 Fe2 N2 O2 -","2","1","","Osipov, Nikita G.; Faraonov, Maxim A.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Shestakov, Alexander F.; Denisov, Nikolay N.; Savinykh, Tatiana A.; Otsuka, Akihiro; Kitagawa, Hiroshi; Konarev, Dmitri V.","Coordination vs. oxidative rearrangement of photochromic spiropyrans upon reacting with FeIIICl3 and FeIIIBr3","New Journal of Chemistry","2024","48","30","13526","13537","10.1039/D4NJ02371D","","x-ray","0.71073","MoKα","","0.0565","0.0404","","","0.084","0.0922","","","","","","1.049","","","","has coordinates,has disorder","293913","2024-08-05","19:49:58",""
"7063327","12.6378","0.0004","10.6209","0.0003","16.3284","0.0005","90","","94.486","0.003","90","","2184.96","0.11","134","2","134","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 Cl3 Fe N O -","- C23 H21 Cl3 Fe N O -","- C92 H84 Cl12 Fe4 N4 O4 -","4","1","","Osipov, Nikita G.; Faraonov, Maxim A.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Shestakov, Alexander F.; Denisov, Nikolay N.; Savinykh, Tatiana A.; Otsuka, Akihiro; Kitagawa, Hiroshi; Konarev, Dmitri V.","Coordination vs. oxidative rearrangement of photochromic spiropyrans upon reacting with FeIIICl3 and FeIIIBr3","New Journal of Chemistry","2024","48","30","13526","13537","10.1039/D4NJ02371D","","x-ray","0.71073","MoKα","","0.0492","0.0347","","","0.0748","0.08","","","","","","1.031","","","","has coordinates","293913","2024-08-05","19:49:58",""
"7063328","8.4022","0.0011","12.957","0.0015","24.221","0.003","94.35","0.009","94.322","0.01","92.784","0.01","2617.9","0.6","155","2","155","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H44 Br6 Cl2 Fe2 N4 O2 -","- C50 H44 Br6 Cl2 Fe2 N4 O2 -","- C100 H88 Br12 Cl4 Fe4 N8 O4 -","2","1","","Osipov, Nikita G.; Faraonov, Maxim A.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Shestakov, Alexander F.; Denisov, Nikolay N.; Savinykh, Tatiana A.; Otsuka, Akihiro; Kitagawa, Hiroshi; Konarev, Dmitri V.","Coordination vs. oxidative rearrangement of photochromic spiropyrans upon reacting with FeIIICl3 and FeIIIBr3","New Journal of Chemistry","2024","48","30","13526","13537","10.1039/D4NJ02371D","","x-ray","0.71073","MoKα","","0.1411","0.0627","","","0.1414","0.1572","","","","","","0.837","","","","has coordinates","293913","2024-08-05","19:49:58",""
"7063329","16.9996","0.0005","9.8119","0.0002","15.0378","0.0004","90","","108.385","0.003","90","","2380.25","0.11","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Br4 Fe N2 O -","- C22 H19 Br4 Fe N2 O -","- C88 H76 Br16 Fe4 N8 O4 -","4","1","","Osipov, Nikita G.; Faraonov, Maxim A.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Shestakov, Alexander F.; Denisov, Nikolay N.; Savinykh, Tatiana A.; Otsuka, Akihiro; Kitagawa, Hiroshi; Konarev, Dmitri V.","Coordination vs. oxidative rearrangement of photochromic spiropyrans upon reacting with FeIIICl3 and FeIIIBr3","New Journal of Chemistry","2024","48","30","13526","13537","10.1039/D4NJ02371D","","x-ray","0.71073","MoKα","","0.0789","0.0405","","","0.0754","0.0862","","","","","","1.058","","","","has coordinates","293913","2024-08-05","19:49:58",""
"7063330","15.429","0.003","14.116","0.003","18.892","0.005","90","","113.879","0.009","90","","3762.4","1.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H72 Cl8 K2 N20 O13 V -","- C60 H72 Cl8 K2 N20 O13 V -","- C120 H144 Cl16 K4 N40 O26 V2 -","2","0.5","","Finogenov, Daniil N.; Faraonov, Maxim A.; Kopylova, Alina S.; Ivanov, Timur E.; Romanenko, Nikita R.; Yakushev, Ilya A.; Konarev, Dmitri V.; Stuzhin, Pavel A.","Perchlorinated vanadyl tetrapyrazinoporphyrazine: spectral, redox and magnetic properties","New Journal of Chemistry","2024","48","22","10067","10073","10.1039/D4NJ01145G","","","0.75268","synchrotron","","0.0696","0.0608","","","0.1429","0.1472","","","","","","1.158","","","","has coordinates,has disorder","292742","2024-07-04","23:34:51",""
"7063331","9.2238","0.0005","10.8056","0.0005","12.0232","0.0007","110.335","0.002","99.439","0.002","92.472","0.002","1101.93","0.1","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 Br N O2 -","- C27 H22 Br N O2 -","- C54 H44 Br2 N2 O4 -","2","1","","Yang, Jing; Hu, Xing-Mei; Zhao, Ke-Hua; Huang, Kun; Yan, Sheng-Jiao","Cu(ii)-catalyzed annulation of α,β-unsaturated ketoxime acetates with 3-formylchromones for the synthesis of functionalized 2,4-diarylpyridines","New Journal of Chemistry","2024","48","26","11682","11687","10.1039/D4NJ01648C","","x-ray","0.71073","MoKα","","0.0786","0.0401","","","0.0711","0.0818","","","","","","1.002","","","","has coordinates","292743","2024-07-04","23:35:41",""
"7063332","8.3287","0.0006","15.8649","0.0011","21.7887","0.0016","90","","90","","90","","2879","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H20 Cl4 Cu N2 O2 -","- C34 H20 Cl4 Cu N2 O2 -","- C136 H80 Cl16 Cu4 N8 O8 -","4","0.5","","Oladipo, Segun D.; Luckay, Robert C.","Copper(ii) complexes derived from naphthalene-based halogenated Schiff bases: synthesis, structural analysis, DFT computational studies and in vitro biological activities","New Journal of Chemistry","2024","48","30","13276","13288","10.1039/D4NJ01621A","","","0.71073","MoKα","","0.0512","0.0439","","","0.1071","0.1106","","","","","","1.12","","","","has coordinates","293911","2024-08-05","19:49:36",""
"7063333","18.9437","0.0006","9.0738","0.0003","22.7712","0.0007","90","","98.115","0.001","90","","3875","0.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H18 Br2 Cl4 Cu N2 O2 -","- C34 H18 Br2 Cl4 Cu N2 O2 -","- C136 H72 Br8 Cl16 Cu4 N8 O8 -","4","1","","Oladipo, Segun D.; Luckay, Robert C.","Copper(ii) complexes derived from naphthalene-based halogenated Schiff bases: synthesis, structural analysis, DFT computational studies and in vitro biological activities","New Journal of Chemistry","2024","48","30","13276","13288","10.1039/D4NJ01621A","","","0.71073","MoKα","","0.1515","0.0604","","","0.1515","0.197","","","","","","0.92","","","","has coordinates","293911","2024-08-05","19:49:36",""
"7063334","14.8561","0.001","7.4709","0.0005","28.931","0.002","90","","90","","90","","3211","0.4","298","2","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H20 O3 -","- C19 H20 O3 -","- C152 H160 O24 -","8","1","","Faraz, Simra; Khan, Abu Taleb","A short and elegant synthetic approach for 9-substituted tetrahydro coumestan derivatives and synthesis of some naturally occurring coumestan derivatives","New Journal of Chemistry","2024","48","30","13514","13525","10.1039/D4NJ02189D","","","0.71073","MoKα","","0.1109","0.0764","","","0.16","0.1888","","","","","","1.1531","","","","has coordinates","293910","2024-08-05","19:49:24",""
"7063335","7.028","0.003","13.206","0.004","14.716","0.005","90","","90","","90","","1365.8","0.9","297","2","297","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H12 O3 -","- C19 H12 O3 -","- C76 H48 O12 -","4","1","","Faraz, Simra; Khan, Abu Taleb","A short and elegant synthetic approach for 9-substituted tetrahydro coumestan derivatives and synthesis of some naturally occurring coumestan derivatives","New Journal of Chemistry","2024","48","30","13514","13525","10.1039/D4NJ02189D","","","0.71073","MoKα","","0.0608","0.0381","","","0.0809","0.0861","","","","","","1.002","","","","has coordinates","293910","2024-08-05","19:49:25",""
"7063336","13.7682","0.0009","11.5419","0.0007","15.7248","0.001","90","","90.394","0.003","90","","2498.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H31 Co F6 N5 P -","- C23 H31 Co F6 N5 P -","- C92 H124 Co4 F24 N20 P4 -","4","1","","Rodriguez Segura, Leobardo; Ren, Tong","Trans influence of cyanide on the structural and electronic properties of a series of organocobaltIII(TIM) complexes","New Journal of Chemistry","2024","48","29","13030","13037","10.1039/D4NJ02364A","","","0.71073","MoKα","","0.0589","0.0357","","","0.0827","0.0925","","","","","","1.023","","","","has coordinates,has disorder","293885","2024-08-05","19:43:44",""
"7063337","16.3877","0.0007","18.7783","0.0008","7.5802","0.0003","90","","90","","90","","2332.68","0.17","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H27 Co F6 N7 P -","- C18 H27 Co F6 N7 P -","- C72 H108 Co4 F24 N28 P4 -","4","0.5","","Rodriguez Segura, Leobardo; Ren, Tong","Trans influence of cyanide on the structural and electronic properties of a series of organocobaltIII(TIM) complexes","New Journal of Chemistry","2024","48","29","13030","13037","10.1039/D4NJ02364A","","","1.54178","CuKα","","0.0384","0.032","","","0.083","0.0851","","","","","","1.058","","","","has coordinates,has disorder","293885","2024-08-05","19:43:45",""
"7063338","10.6469","0.0002","22.5392","0.0005","14.0575","0.0003","90","","96.967","0.001","90","","3348.51","0.12","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H47 Co F6 N5 O P -","- C30 H47 Co F6 N5 O P -","- C120 H188 Co4 F24 N20 O4 P4 -","4","1","","Rodriguez Segura, Leobardo; Ren, Tong","Trans influence of cyanide on the structural and electronic properties of a series of organocobaltIII(TIM) complexes","New Journal of Chemistry","2024","48","29","13030","13037","10.1039/D4NJ02364A","","","1.54178","CuKα","","0.0438","0.0413","","","0.1148","0.1169","","","","","","1.061","","","","has coordinates,has disorder","293885","2024-08-05","19:43:45",""
"7063339","18.7533","0.0011","18.7533","0.0011","20.1833","0.0011","90","","90","","120","","6147.2","0.6","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C16 H30 Co F6 N4 P -","- C15.9997 H29.9992 Co F6 N4.00005 P -","- C191.996 H359.991 Co12 F72 N48.0006 P12 -","12","0.666667","","Rodriguez Segura, Leobardo; Ren, Tong","Trans influence of cyanide on the structural and electronic properties of a series of organocobaltIII(TIM) complexes","New Journal of Chemistry","2024","48","29","13030","13037","10.1039/D4NJ02364A","","","0.71073","MoKα","","0.1017","0.0457","","","0.1076","0.1394","","","","","","1.018","","","","has coordinates,has disorder","293885","2024-08-05","19:43:45",""
"7063340","15.4579","0.0007","15.4579","0.0007","17.5114","0.0015","90","","90","","90","","4184.3","0.4","150","2","150","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C15 H27 Cl0.08 Co F6 I0.92 N4 P -","- C15 H27 Cl0.078 Co F6 I0.922 N4 P -","- C120 H216 Cl0.624 Co8 F48 I7.376 N32 P8 -","8","1","","Rodriguez Segura, Leobardo; Ren, Tong","Trans influence of cyanide on the structural and electronic properties of a series of organocobaltIII(TIM) complexes","New Journal of Chemistry","2024","48","29","13030","13037","10.1039/D4NJ02364A","","","0.71073","MoKα","","0.0336","0.0261","","","0.052","0.0545","","","","","","1.134","","","","has coordinates,has disorder","293885","2024-08-05","19:43:45",""
"7063341","12.6138","0.0001","21.6289","0.0001","21.862","0.0001","117.873","0.001","90.93","","103.3","","5077.68","0.07","260","2","259.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C56 H46 N8 O2 P2 W -","- C56 H46 N8 O2 P2 W -","- C224 H184 N32 O8 P8 W4 -","4","2","","Szklarzewicz, Janusz; Hodorowicz, Maciej; Jurowska, Anna","Synthesis of diaminoacetylene from cyanido ligands of the octacyanidotungstate complex","New Journal of Chemistry","2024","48","29","13196","13205","10.1039/D4NJ02448F","","x-ray","1.54184","CuKα","","0.0415","0.0379","","","0.1043","0.1072","","","","","","1.062","","","","has coordinates","293882","2024-08-05","19:42:49",""
"7063342","8.5484","0.0002","14.3462","0.0003","12.877","0.0002","90","","90.846","0.002","90","","1579.03","0.06","293","2","293.49","0.13","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 N8 O2 Rb2 W -","- C8 H6 N8 O2 Rb2 W -","- C32 H24 N32 O8 Rb8 W4 -","4","1","","Szklarzewicz, Janusz; Hodorowicz, Maciej; Jurowska, Anna","Synthesis of diaminoacetylene from cyanido ligands of the octacyanidotungstate complex","New Journal of Chemistry","2024","48","29","13196","13205","10.1039/D4NJ02448F","","x-ray","0.71073","MoKα","","0.0304","0.0233","","","0.0476","0.0491","","","","","","1.072","","","","has coordinates","293882","2024-08-05","19:42:49",""
"7063343","11.8245","0.0003","8.6678","0.0002","14.9294","0.0004","90","","98.581","0.002","90","","1513.02","0.07","100","2","100","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C16 Cs4 N16 O W2 -","- C16 Cs4 N16 O W2 -","- C32 Cs8 N32 O2 W4 -","2","1","","Szklarzewicz, Janusz; Hodorowicz, Maciej; Jurowska, Anna","Synthesis of diaminoacetylene from cyanido ligands of the octacyanidotungstate complex","New Journal of Chemistry","2024","48","29","13196","13205","10.1039/D4NJ02448F","","x-ray","0.71073","MoKα","","0.0359","0.0348","","","0.0837","0.0846","","","","","","1.011","","","","has coordinates","293882","2024-08-05","19:42:49",""
"7063344","10.1444","0.0004","11.2352","0.0004","11.9339","0.0004","78.792","0.001","74.318","0.001","71.436","0.001","1232.62","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H58 N8 Ni O12 -","- C50 H58 N8 Ni O12 -","- C50 H58 N8 Ni O12 -","1","0.5","","Liu, Xiao-Dong; Liu, Pei-Xin; Zhang, Zhong; Li, Li-Long; Luan, Jian; Qin, Yi","A novel Ni-based complex inducing apoptosis through mitochondrial dysfunction in osteosarcoma HOS cells","New Journal of Chemistry","2024","48","30","13602","13608","10.1039/D4NJ02041C","","","0.71073","MoKα","","0.0584","0.0405","","","0.0971","0.1057","","","","","","1.027","","","","has coordinates","293915","2024-08-05","19:50:36",""
"7063345","10.233","0.004","12.379","0.004","13.802","0.004","90","","105.009","0.013","90","","1688.7","1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","N-(3-(bromomethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-yl)-N'-((trifluoromethyl)sulfonyl)acetamidamide","","- C13 H20 Br F3 N2 O2 S -","- C13 H20 Br F3 N2 O2 S -","- C52 H80 Br4 F12 N8 O8 S4 -","4","1","","Moskalik, Mikhail Yu.; Garagan, Ivan A.; Shainyan, Bagrat A.; Yarovaya, Olga I.; Ganin, Anton S.; Astakhova, Vera V.; Sterkhova, Irina V.; Zinchenko, Sergey V.; Salakhutdinov, Nariman F.; Radzhabov, Amirbek D.","Halosulfonamidation of camphene: chemo and stereoselectivity, rearrangement, solvent interception, heterocyclization","New Journal of Chemistry","2024","48","30","13506","13513","10.1039/D4NJ02582B","","","0.71073","MoKα","","0.1864","0.0929","","","0.2417","0.2728","","","","","","1.058","","","","has coordinates","293916","2024-08-05","19:50:46",""
"7063346","7.546","0.004","8.634","0.004","10.975","0.005","75.459","0.014","80.375","0.016","83.214","0.015","680.2","0.6","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","N-(1-(bromomethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-yl)methanesulfonamide","","- C11 H20 Br N O2 S -","- C11 H20 Br N O2 S -","- C22 H40 Br2 N2 O4 S2 -","2","1","","Moskalik, Mikhail Yu.; Garagan, Ivan A.; Shainyan, Bagrat A.; Yarovaya, Olga I.; Ganin, Anton S.; Astakhova, Vera V.; Sterkhova, Irina V.; Zinchenko, Sergey V.; Salakhutdinov, Nariman F.; Radzhabov, Amirbek D.","Halosulfonamidation of camphene: chemo and stereoselectivity, rearrangement, solvent interception, heterocyclization","New Journal of Chemistry","2024","48","30","13506","13513","10.1039/D4NJ02582B","","","0.71073","MoKα","","0.1647","0.0775","","","0.172","0.1989","","","","","","1.034","","","","has coordinates","293916","2024-08-05","19:50:47",""
"7063347","7.6458","0.0008","8.4634","0.001","11.3756","0.0008","75.804","0.008","81.317","0.007","85.101","0.009","704.55","0.12","150","","150","","","","","","","","","7","P -1","-P 1","2","","N-(1-(Bromomethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-yl)trifluoromethanesulfonamide","","- C11 H17 Br F3 N O2 S -","- C11 H17 Br F3 N O2 S -","- C22 H34 Br2 F6 N2 O4 S2 -","2","1","","Moskalik, Mikhail Yu.; Garagan, Ivan A.; Shainyan, Bagrat A.; Yarovaya, Olga I.; Ganin, Anton S.; Astakhova, Vera V.; Sterkhova, Irina V.; Zinchenko, Sergey V.; Salakhutdinov, Nariman F.; Radzhabov, Amirbek D.","Halosulfonamidation of camphene: chemo and stereoselectivity, rearrangement, solvent interception, heterocyclization","New Journal of Chemistry","2024","48","30","13506","13513","10.1039/D4NJ02582B","","","0.71073","MoKα","","0.0589","0.0426","","","0.0971","0.1012","","","","","","0.974","","","","has coordinates","293916","2024-08-05","19:50:47",""
"7063348","8.417","0.007","16.197","0.013","12.549","0.012","90","","107.97","0.03","90","","1627","2","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Z)-N-(2-(bromomethyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-yl)-N'-(methylsulfonyl)acetimidamide","","- C13 H22 Br N2 O2 S -","- C13 H23 Br N2 O2 S -","- C52 H92 Br4 N8 O8 S4 -","4","1","","Moskalik, Mikhail Yu.; Garagan, Ivan A.; Shainyan, Bagrat A.; Yarovaya, Olga I.; Ganin, Anton S.; Astakhova, Vera V.; Sterkhova, Irina V.; Zinchenko, Sergey V.; Salakhutdinov, Nariman F.; Radzhabov, Amirbek D.","Halosulfonamidation of camphene: chemo and stereoselectivity, rearrangement, solvent interception, heterocyclization","New Journal of Chemistry","2024","48","30","13506","13513","10.1039/D4NJ02582B","","","0.71073","MoKα","","0.217","0.0839","","","0.1712","0.2111","","","","","","1.01","","","","has coordinates","293916","2024-08-05","19:50:47",""
"7063349","32.242","0.004","7.9847","0.0009","13.5491","0.0016","90","","98.26","0.004","90","","3451.9","0.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","1,1,1-trifluoro-N-((1E-{(2-iodomethyl)-3,3-dimethylbicyclo[2.2.1]hept-2-yl]amino}methylene)methansulfonamide","","- C13 H20 F3 I N2 O2 S -","- C13 H20 F3 I N2 O2 S -","- C104 H160 F24 I8 N16 O16 S8 -","8","1","","Moskalik, Mikhail Yu.; Garagan, Ivan A.; Shainyan, Bagrat A.; Yarovaya, Olga I.; Ganin, Anton S.; Astakhova, Vera V.; Sterkhova, Irina V.; Zinchenko, Sergey V.; Salakhutdinov, Nariman F.; Radzhabov, Amirbek D.","Halosulfonamidation of camphene: chemo and stereoselectivity, rearrangement, solvent interception, heterocyclization","New Journal of Chemistry","2024","48","30","13506","13513","10.1039/D4NJ02582B","","","0.71073","MoKα","","0.0891","0.0351","","","0.0794","0.0884","","","","","","1.056","","","","has coordinates","293916","2024-08-05","19:50:47",""
"7063350","15.1196","0.0005","16.0398","0.0005","15.517","0.0005","90","","102.341","0.003","90","","3676.2","0.2","93","2","93","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 Cl2 F9 N3 O Si V -","- C33 H33 Cl2 F9 N3 O Si V -","- C132 H132 Cl8 F36 N12 O4 Si4 V4 -","4","1","","Nomura, Kotohiro; Kuwahara, Shuko; Suthala, Jirapa; Kawamoto, Yuta; Shimoyama, Daisuke; Buchmeiser, Michael R.","Vanadium(v) arylimido alkylidene N-heterocyclic carbene complexes containing fluorinated alkoxide or halogenated phenoxide ligands for the syndiospecific ROMP of cyclic olefins","New Journal of Chemistry","2024","48","34","14865","14872","10.1039/D4NJ02537G","","x-ray","0.71073","MoKα","","0.1007","0.0818","","","0.2132","0.2234","","","","","","1.12","","","","has coordinates,has disorder","294617","2024-09-06","01:47:52",""
"7063351","9.6615","0.0004","12.4091","0.0004","16.1836","0.0005","91.24","0.002","95.293","0.003","111.9","0.003","1789.27","0.12","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H33 F11 N3 O Si V -","- C33 H33 F11 N3 O Si V -","- C66 H66 F22 N6 O2 Si2 V2 -","2","1","","Nomura, Kotohiro; Kuwahara, Shuko; Suthala, Jirapa; Kawamoto, Yuta; Shimoyama, Daisuke; Buchmeiser, Michael R.","Vanadium(v) arylimido alkylidene N-heterocyclic carbene complexes containing fluorinated alkoxide or halogenated phenoxide ligands for the syndiospecific ROMP of cyclic olefins","New Journal of Chemistry","2024","48","34","14865","14872","10.1039/D4NJ02537G","","x-ray","0.71073","MoKα","","0.0863","0.079","","","0.218","0.2238","","","","","","1.041","","","","has coordinates,has disorder","294617","2024-09-06","01:47:53",""
"7063352","6.3267","0.0005","7.8117","0.0005","8.5217","0.0005","85.971","0.005","87.605","0.006","85.482","0.006","418.54","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C2 H3 F10 O Sb -","- C2 H3 F10 O Sb -","- C4 H6 F20 O2 Sb2 -","2","1","","Steiner, Sebastian; Shafiq, Zurwa M.; Nitzer, Alexander; Hollenwäger, Dirk; Kornath, Andreas J.","HF-addition to haloacetyl fluorides in superacidic media","New Journal of Chemistry","2024","48","31","13846","13853","10.1039/D4NJ02884H","","","0.71073","MoKα","","0.0349","0.0276","","","0.0558","0.0597","","","","","","1.081","","","","has coordinates","294604","2024-09-06","01:43:27",""
"7063353","16.097","0.002","22.892","0.004","10.3035","0.0013","90","","101.194","0.005","90","","3724.5","0.9","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 F3 Fe2 N3 -","- C44 H40 F3 Fe2 N3 -","- C176 H160 F12 Fe8 N12 -","4","1","","Prabu, Selvam; Fagnani, Francesco; Colombo, Alessia; Dragonetti, Claudia; Roberto, Dominique; Mathivathanan, Logesh; Palanisami, Nallasamy","Effect of substitution on second-order nonlinear optical properties of ferrocene appended donor–π–acceptor Y-shaped trifluoromethyl imidazole chromophores","New Journal of Chemistry","2024","48","33","14764","14772","10.1039/D4NJ02079K","","","0.71073","MoKα","","0.175","0.0546","","","0.1268","0.2008","","","","","","0.944","","","","has coordinates,has disorder","294603","2024-09-06","01:42:49",""
"7063354","11.084","0.0013","12.6976","0.0019","12.9135","0.0018","80.552","0.006","76.974","0.005","79.651","0.006","1727.3","0.4","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H33 F3 Fe2 N2 O -","- C41 H33 F3 Fe2 N2 O -","- C82 H66 F6 Fe4 N4 O2 -","2","1","","Prabu, Selvam; Fagnani, Francesco; Colombo, Alessia; Dragonetti, Claudia; Roberto, Dominique; Mathivathanan, Logesh; Palanisami, Nallasamy","Effect of substitution on second-order nonlinear optical properties of ferrocene appended donor–π–acceptor Y-shaped trifluoromethyl imidazole chromophores","New Journal of Chemistry","2024","48","33","14764","14772","10.1039/D4NJ02079K","","","0.71073","MoKα","","0.0745","0.0423","","","0.0923","0.1069","","","","","","1.023","","","","has coordinates,has disorder","294603","2024-09-06","01:42:51",""
"7063355","7.8862","0.0003","10.3502","0.0004","14.3311","0.0005","90","","103.668","0.001","90","","1136.63","0.07","159","2","159","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","ORGANIC","","","- C13 H14 O2 S -","- C13 H14 O2 S -","- C52 H56 O8 S4 -","4","1","","Naveen, Ramasamy; Muthusamy, Sengodagounder","On-water synthesis of 3,6-dihydro-2H-thiopyrans: Doyle–Kirmse reaction induced by blue-LEDs and ring-closing metathesis","New Journal of Chemistry","2024","48","32","14305","14310","10.1039/D4NJ01668H","","","0.71073","Mokα","","0.079","0.0432","","","0.104","0.1278","","","","","","1.081","","","","has coordinates","294596","2024-09-06","01:40:33",""
"7063356","7.7176","0.0009","8.7676","0.0011","10.6594","0.0013","84.913","0.005","82.334","0.004","65.082","0.004","647.86","0.14","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 O2 S -","- C14 H16 O2 S -","- C28 H32 O4 S2 -","2","1","","Naveen, Ramasamy; Muthusamy, Sengodagounder","On-water synthesis of 3,6-dihydro-2H-thiopyrans: Doyle–Kirmse reaction induced by blue-LEDs and ring-closing metathesis","New Journal of Chemistry","2024","48","32","14305","14310","10.1039/D4NJ01668H","","","0.71073","MoKα","","0.0817","0.0614","","","0.1614","0.1812","","","","","","1.185","","","","has coordinates","294596","2024-09-06","01:40:33",""
"7063357","7.2172","0.0016","9.066","0.002","13.516","0.003","89.015","0.003","78.749","0.004","73.93","0.003","832.8","0.3","291","2","291","2","","","","","","","","6","P 1","P 1","1","","","","- C28 H33 Cl Co N10 O4.5 -","- C28 H33 Cl Co N10 O4.5 -","- C28 H33 Cl Co N10 O4.5 -","1","1","","Wang, Taoyu; Peng, Yanhong; Zhang, Zhiqiang; Gao, Congli; Li, Xi-Li","Two chiral CoIII and NiII complexes with identical ligands presenting different nonlinear optical responses","New Journal of Chemistry","2024","48","32","14292","14297","10.1039/D4NJ01544D","","","0.71073","MoKα","","0.073","0.0567","","","0.1203","0.1247","","","","","","1.006","","","","has coordinates","294597","2024-09-06","01:40:42",""
"7063358","31.575","0.002","6.0167","0.0012","17.2771","0.0015","90","","116.709","0.003","90","","2932","0.7","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C56 H66 Cl2 N14 Ni2 O9 -","- C56 H66 Cl2 N14 Ni2 O9 -","- C112 H132 Cl4 N28 Ni4 O18 -","2","0.5","","Wang, Taoyu; Peng, Yanhong; Zhang, Zhiqiang; Gao, Congli; Li, Xi-Li","Two chiral CoIII and NiII complexes with identical ligands presenting different nonlinear optical responses","New Journal of Chemistry","2024","48","32","14292","14297","10.1039/D4NJ01544D","","","0.71073","MoKα","","0.0567","0.0468","","","0.1165","0.1198","","","","","","1.079","","","","has coordinates","294597","2024-09-06","01:40:42",""
"7063359","12.939","0.002","13.108","0.002","23.799","0.004","95.07","0.002","92.406","0.002","113.497","0.002","3674","1","296.15","0.1","296.15","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C83 H67 Cl4 N6 O12 -","- C83 H67 Cl4 N6 O12 -","- C166 H134 Cl8 N12 O24 -","2","1","","Zeng, Fei; Tang, Lin-Li; Bao, Wen-Hu","Macrocycle-based charge transfer co-crystals with specific selective vapochromism to benzene","New Journal of Chemistry","2024","48","32","14480","14485","10.1039/D4NJ02859G","","x-ray","0.71073","MoKα","","0.1455","0.0657","","","0.1759","0.2247","","","","","","0.994","","","","has coordinates,has disorder","294599","2024-09-06","01:41:17",""
"7063360","13.062","0.006","13.259","0.006","13.97","0.006","70.993","0.006","70.564","0.006","72.967","0.006","2110.5","1.6","296.15","0.1","296.15","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C89 H67 Cl9 N8 O12 -","- C89 H67 Cl9 N8 O12 -","- C89 H67 Cl9 N8 O12 -","1","0.5","","Zeng, Fei; Tang, Lin-Li; Bao, Wen-Hu","Macrocycle-based charge transfer co-crystals with specific selective vapochromism to benzene","New Journal of Chemistry","2024","48","32","14480","14485","10.1039/D4NJ02859G","","x-ray","0.71073","MoKα","","0.2047","0.082","","","0.2156","0.2927","","","","","","0.982","","","","has coordinates,has disorder","294599","2024-09-06","01:41:18",""
"7063361","12.982","0.007","13.032","0.007","23.658","0.013","91.171","0.008","94.196","0.008","114.981","0.007","3612","3","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C85 H69 N8 O12 -","- C85 H69 N8 O12 -","- C170 H138 N16 O24 -","2","1","","Zeng, Fei; Tang, Lin-Li; Bao, Wen-Hu","Macrocycle-based charge transfer co-crystals with specific selective vapochromism to benzene","New Journal of Chemistry","2024","48","32","14480","14485","10.1039/D4NJ02859G","","","0.71073","MoKα","","0.1828","0.0808","","","0.2106","0.2844","","","","","","0.944","","","","has coordinates","294599","2024-09-06","01:41:28",""
"7063362","12.903","0.003","13.152","0.003","23.932","0.006","86.21","0.003","88.225","0.003","64.678","0.003","3663","1.5","296.15","0.1","296.15","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C165 H132 Br6 N12 O24 -","- C165 H132 Br6 N12 O24 -","- C165 H132 Br6 N12 O24 -","1","0.5","","Zeng, Fei; Tang, Lin-Li; Bao, Wen-Hu","Macrocycle-based charge transfer co-crystals with specific selective vapochromism to benzene","New Journal of Chemistry","2024","48","32","14480","14485","10.1039/D4NJ02859G","","x-ray","0.71073","MoKα","","0.1947","0.0712","","","0.1736","0.236","","","","","","1.002","","","","has coordinates,has disorder","294599","2024-09-06","01:41:30",""
"7063363","9.232","0.002","23.274","0.005","15.821","0.004","90","","91.951","0.007","90","","3397.4","1.3","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","GBY-343","","- C43 H28 Cl2 N2 O -","- C43 H28 Cl2 N2 O -","- C172 H112 Cl8 N8 O4 -","4","1","","Yashwantrao, Gauravi; Tripathi, Anjali; Seth, Saona; Badani, Purav; Saha, Satyajit","Designing novel benzofuran derived AIE-probes: dual-mode fluorescence turn-off and naked-eye color change for hydrazine detection","New Journal of Chemistry","2024","48","33","14586","14594","10.1039/D4NJ02547D","","","0.71073","MoKα","","0.1549","0.0679","","","0.1478","0.1984","","","","","","1.012","","","","has coordinates","294601","2024-09-06","01:42:21",""
"7063364","9.67","0.004","9.892","0.004","9.99","0.004","70.707","0.011","81.349","0.012","82.089","0.012","887.7","0.6","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","GBY314","","- C22 H19 N3 O -","- C22 H19 N3 O -","- C44 H38 N6 O2 -","2","1","","Yashwantrao, Gauravi; Tripathi, Anjali; Seth, Saona; Badani, Purav; Saha, Satyajit","Designing novel benzofuran derived AIE-probes: dual-mode fluorescence turn-off and naked-eye color change for hydrazine detection","New Journal of Chemistry","2024","48","33","14586","14594","10.1039/D4NJ02547D","","","0.71073","MoKα","","0.1669","0.0607","","","0.1323","0.1863","","","","","","0.955","","","","has coordinates","294601","2024-09-06","01:42:23",""
"7063365","11.213","0.001","7.9744","0.0009","17.7754","0.0014","90","","106.759","0.009","90","","1521.9","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(5-chloro-2-hydroxyphenyl)-3-hydroxy-3-(naphthalen-1yl)prop-2-en-1-one","","- C19 H13 Cl O3 -","- C19 H13 Cl O3 -","- C76 H52 Cl4 O12 -","4","1","","Salvador Vallejo, L. E.; Jios, J. L.; Ulic, S. E.; Echeverría, G. A.; Piro, O. E.; Pis Diez, R.; Vázquez, C.; Merlo, C.","Structural and spectroscopic study and intermolecular chalcogen bonding interactions in 1,3-dicarbonyl compounds","New Journal of Chemistry","2024","48","32","14420","14434","10.1039/D4NJ02508C","","x-ray","0.71073","MoKα","","0.0807","0.0504","","","0.1254","0.1533","","","","","","1.042","","","","has coordinates","294598","2024-09-06","01:40:51",""
"7063366","3.8968","0.0002","13.416","0.0012","30.1686","0.0016","90","","87.761","0.005","90","","1575.99","0.18","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(5-chloro-2-hidroxy-4-methylphenyl)-3-hydroxy-3-(3-naphthalen-1-yl)prop-2-en-1-one","","- C20 H15 Cl O3 -","- C20 H15 Cl O3 -","- C80 H60 Cl4 O12 -","4","1","","Salvador Vallejo, L. E.; Jios, J. L.; Ulic, S. E.; Echeverría, G. A.; Piro, O. E.; Pis Diez, R.; Vázquez, C.; Merlo, C.","Structural and spectroscopic study and intermolecular chalcogen bonding interactions in 1,3-dicarbonyl compounds","New Journal of Chemistry","2024","48","32","14420","14434","10.1039/D4NJ02508C","","x-ray","1.54184","CuKα","","0.0888","0.0584","","","0.1584","0.1861","","","","","","1.056","","","","has coordinates","294598","2024-09-06","01:40:52",""
"7063367","12.4938","0.0014","15.7972","0.0018","17.7519","0.0019","88.681","0.002","84.851","0.002","69.397","0.002","3266.2","0.6","296.15","0.1","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C59 H75 N6 S2 Si4 Y2 -","- C59 H75 N6 S2 Si4 Y2 -","- C118 H150 N12 S4 Si8 Y4 -","2","1","","Zhao, Zhiwei; Tong, Yao; Liu, ChenCheng; Huang, Zeming; Wang, Shaowu; Wang, Fenhua","Difunctionalized indol-2-yl-ligated bimetallic rare-earth metal complexes: synthesis, characterization and high activity towards polymerization of 2-vinylpyridine","New Journal of Chemistry","2024","48","33","14690","14696","10.1039/D4NJ02131B","","","0.71073","MoKα","","0.104","0.0504","","","0.0928","0.1114","","","","","","1.009","","","","has coordinates,has disorder","294602","2024-09-06","01:42:40",""
"7063368","12.4821","0.0013","15.7715","0.0017","17.7444","0.0019","88.608","0.001","84.598","0.001","69.502","0.001","3257.3","0.6","293.15","0.1","293.15","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C59 H75 Er2 N6 S2 Si4 -","- C59 H75 Er2 N6 S2 Si4 -","- C118 H150 Er4 N12 S4 Si8 -","2","1","","Zhao, Zhiwei; Tong, Yao; Liu, ChenCheng; Huang, Zeming; Wang, Shaowu; Wang, Fenhua","Difunctionalized indol-2-yl-ligated bimetallic rare-earth metal complexes: synthesis, characterization and high activity towards polymerization of 2-vinylpyridine","New Journal of Chemistry","2024","48","33","14690","14696","10.1039/D4NJ02131B","","x-ray","0.71073","MoKα","","0.0503","0.0342","","","0.0836","0.0909","","","","","","1.059","","","","has coordinates,has disorder","294602","2024-09-06","01:42:40",""
"7063369","14.6276","0.0018","19.47","0.002","25.369","0.002","90","","100.885","0.004","90","","7095.1","1.3","296.15","0.1","296.15","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C68.84 H80.53 Cl1.16 Lu2 N6 S2 Si4 -","- C68.84 H80.52 Cl1.16 Lu2 N6 S2 Si4 -","- C275.36 H322.08 Cl4.64 Lu8 N24 S8 Si16 -","4","0.5","","Zhao, Zhiwei; Tong, Yao; Liu, ChenCheng; Huang, Zeming; Wang, Shaowu; Wang, Fenhua","Difunctionalized indol-2-yl-ligated bimetallic rare-earth metal complexes: synthesis, characterization and high activity towards polymerization of 2-vinylpyridine","New Journal of Chemistry","2024","48","33","14690","14696","10.1039/D4NJ02131B","","x-ray","0.71073","MoKα","","0.1085","0.0574","","","0.1244","0.1437","","","","","","1.03","","","","has coordinates,has disorder","294602","2024-09-06","01:42:40",""
"7063370","15.0398","0.0011","17.4864","0.0011","20.0662","0.0013","90","","101.427","0.003","90","","5172.6","0.6","296.15","0.1","296.15","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C55 H52 N6 S2 Si2 Yb -","- C55 H52 N6 S2 Si2 Yb -","- C220 H208 N24 S8 Si8 Yb4 -","4","0.5","","Zhao, Zhiwei; Tong, Yao; Liu, ChenCheng; Huang, Zeming; Wang, Shaowu; Wang, Fenhua","Difunctionalized indol-2-yl-ligated bimetallic rare-earth metal complexes: synthesis, characterization and high activity towards polymerization of 2-vinylpyridine","New Journal of Chemistry","2024","48","33","14690","14696","10.1039/D4NJ02131B","","x-ray","0.71073","MoKα","","0.0358","0.0282","","","0.0668","0.0693","","","","","","1.049","","","","has coordinates,has disorder","294602","2024-09-06","01:42:40",""
"7063371","12.4889","0.0005","15.7434","0.0007","17.6727","0.0006","88.403","0.002","84.342","0.001","69.74","0.001","3243.8","0.2","296.15","0.1","296.15","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C59 H75 N6 S2 Si4 Yb2 -","- C59 H75 N6 S2 Si4 Yb2 -","- C118 H150 N12 S4 Si8 Yb4 -","2","1","","Zhao, Zhiwei; Tong, Yao; Liu, ChenCheng; Huang, Zeming; Wang, Shaowu; Wang, Fenhua","Difunctionalized indol-2-yl-ligated bimetallic rare-earth metal complexes: synthesis, characterization and high activity towards polymerization of 2-vinylpyridine","New Journal of Chemistry","2024","48","33","14690","14696","10.1039/D4NJ02131B","","","0.71073","MoKα","","0.064","0.0368","","","0.0784","0.0931","","","","","","1.053","","","","has coordinates,has disorder","294602","2024-09-06","01:42:40",""
"7063372","10.3994","0.0001","10.407","0.0001","11.9303","0.0001","109.315","0.001","93.685","0.001","94.307","0.001","1209.6","0.02","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H25 N7 O6 U -","- C21 H25 N7 O6 U -","- C42 H50 N14 O12 U2 -","2","1","","Amoiridis, Angelos; Papanikolaou, Michael; Drouza, Chryssoula; Kabanos, Themistoklis A.; Keramidas, Anastasios D.","Spectroscopically labelled hydroxylamino-triazine (BHT) siderophores toward the quantification of iron(iii), vanadium(v) and uranium(vi) hard metal ions","New Journal of Chemistry","2024","48","34","14884","14895","10.1039/D4NJ02645D","","x-ray","1.54184","CuKα","","0.0161","0.0161","","","0.0401","0.0401","","","","","","1.169","","","","has coordinates","294607","2024-09-06","01:44:31",""
"7063373","14.2496","0.0007","15.347","0.0007","16.5555","0.0005","101.555","0.003","108.396","0.004","113.274","0.004","2928.4","0.3","155","2","155","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H66 Fe N12 O13 P -","- C58 H66 Fe N12 O13 P -","- C116 H132 Fe2 N24 O26 P2 -","2","1","","Amoiridis, Angelos; Papanikolaou, Michael; Drouza, Chryssoula; Kabanos, Themistoklis A.; Keramidas, Anastasios D.","Spectroscopically labelled hydroxylamino-triazine (BHT) siderophores toward the quantification of iron(iii), vanadium(v) and uranium(vi) hard metal ions","New Journal of Chemistry","2024","48","34","14884","14895","10.1039/D4NJ02645D","","","1.54184","CuKα","","0.1172","0.0692","","","0.1707","0.2006","","","","","","1.029","","","","has coordinates","294607","2024-09-06","01:44:32",""
"7063374","7.03","0.0001","10.5222","0.0001","14.6881","0.0001","79.552","0.001","81.212","0.001","71.45","0.001","1007.69","0.02","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H20 N6 Na O7 V -","- C17 H20 N6 Na O7 V -","- C34 H40 N12 Na2 O14 V2 -","2","1","","Amoiridis, Angelos; Papanikolaou, Michael; Drouza, Chryssoula; Kabanos, Themistoklis A.; Keramidas, Anastasios D.","Spectroscopically labelled hydroxylamino-triazine (BHT) siderophores toward the quantification of iron(iii), vanadium(v) and uranium(vi) hard metal ions","New Journal of Chemistry","2024","48","34","14884","14895","10.1039/D4NJ02645D","","","1.54184","CuKα","","0.0288","0.0286","","","0.0814","0.0816","","","","","","1.091","","","","has coordinates","294607","2024-09-06","01:44:32",""
"7063375","13.5096","0.0002","13.6013","0.0002","17.1971","0.0002","99.775","0.001","103.033","0.001","106.209","0.001","2863.23","0.07","149.98","0.1","149.98","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C122 H110 N26 O16 P2 U3 -","- C121.996 H109.996 N26 O16 P2 U3 -","- C121.996 H109.996 N26 O16 P2 U3 -","1","0.5","","Amoiridis, Angelos; Papanikolaou, Michael; Drouza, Chryssoula; Kabanos, Themistoklis A.; Keramidas, Anastasios D.","Spectroscopically labelled hydroxylamino-triazine (BHT) siderophores toward the quantification of iron(iii), vanadium(v) and uranium(vi) hard metal ions","New Journal of Chemistry","2024","48","34","14884","14895","10.1039/D4NJ02645D","","x-ray","1.54184","CuKα","","0.0349","0.0315","","","0.0751","0.0767","","","","","","1.057","","","","has coordinates,has disorder","294607","2024-09-06","01:44:32",""
"7063376","24.7499","0.0009","34.5643","0.0003","13.4753","0.0005","90","","136.637","0.007","90","","7915.1","1.1","150","2","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H79.5 N18 O11.75 P U1.5 -","- C80 H77 N18 O11.75 P U1.5 -","- C320 H308 N72 O47 P4 U6 -","4","1","","Amoiridis, Angelos; Papanikolaou, Michael; Drouza, Chryssoula; Kabanos, Themistoklis A.; Keramidas, Anastasios D.","Spectroscopically labelled hydroxylamino-triazine (BHT) siderophores toward the quantification of iron(iii), vanadium(v) and uranium(vi) hard metal ions","New Journal of Chemistry","2024","48","34","14884","14895","10.1039/D4NJ02645D","","","1.54184","CuKα","","0.036","0.03","","","0.0751","0.0774","","","","","","1.033","","","","has coordinates,has disorder","294607","2024-09-06","01:44:32",""
"7063377","27.409","0.0003","11.1853","0.0002","16.97965","0.00019","90","","98.5206","0.0012","90","","5148.13","0.12","143.8","0.3","143.8","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C189 H177 N39 Nd8 O67 -","- C189 H177 N39 Nd8 O67 -","- C189 H177 N39 Nd8 O67 -","1","0.25","","Marazani, Linia Gedi; Gumbo, Maureen; Moyo, Lendly; Makhubela, Banothile C. E.; Mehlana, Gift","Synthesis and characterisation of neodymium-based MOFs for application in carbon dioxide reduction to syngas","New Journal of Chemistry","2024","48","34","15025","15035","10.1039/D4NJ01420K","","x-ray","1.54184","CuKα","","0.064","0.0541","","","0.1361","0.1417","","","","","","1.032","","","","has coordinates","294614","2024-09-06","01:46:42",""
"7063378","26.3857","0.0012","14.0955","0.0007","16.9025","0.0008","90","","98.528","0.002","90","","6216.9","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H22 N6 Nd2 O15 -","- C36 H22 N6 Nd2 O15 -","- C144 H88 N24 Nd8 O60 -","4","1","","Marazani, Linia Gedi; Gumbo, Maureen; Moyo, Lendly; Makhubela, Banothile C. E.; Mehlana, Gift","Synthesis and characterisation of neodymium-based MOFs for application in carbon dioxide reduction to syngas","New Journal of Chemistry","2024","48","34","15025","15035","10.1039/D4NJ01420K","","","0.71073","MoKα","","0.088","0.0737","","","0.1589","0.1648","","","","","","1.149","","","","has coordinates","294614","2024-09-06","01:46:50",""
"7063379","12.191","0.002","13.129","0.003","15.478","0.003","90.97","0.006","101.144","0.006","108.89","0.006","2291.3","0.8","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H48 N6 O20 S2 V5 -","- C32 H36 N6 O20.1 S2 V5 -","- C64 H72 N12 O40.2 S4 V10 -","2","1","","Missina, Juliana M.; Camilo, Heloísa de S.; Bottini, Rúbia C. R.; Silva, Isabela P. S.; Fachini, Lucas G.; Rossi, Patrizia; Paoli, Paola; Sá, Eduardo L. de; Nunes, Giovana G.","Exploring the interaction of decavanadate with methylene blue, toluidine blue and rhodamine B","New Journal of Chemistry","2024","48","34","14873","14883","10.1039/D4NJ02454K","","","0.71073","MoKα","","0.0957","0.0558","","","0.1427","0.1619","","","","","","1.054","","","","has coordinates","294609","2024-09-06","01:45:21",""
"7063380","8.8451","0.0005","15.2198","0.0008","21.2242","0.0013","90","","93.605","0.002","90","","2851.6","0.3","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H62 N12 O32 V10 -","- C36 H54 N12 O28 V10 -","- C72 H108 N24 O56 V20 -","2","0.5","","Missina, Juliana M.; Camilo, Heloísa de S.; Bottini, Rúbia C. R.; Silva, Isabela P. S.; Fachini, Lucas G.; Rossi, Patrizia; Paoli, Paola; Sá, Eduardo L. de; Nunes, Giovana G.","Exploring the interaction of decavanadate with methylene blue, toluidine blue and rhodamine B","New Journal of Chemistry","2024","48","34","14873","14883","10.1039/D4NJ02454K","","","0.71073","MoKα","","0.0644","0.0508","","","0.1273","0.1351","","","","","","1.122","","","","has coordinates,has disorder","294609","2024-09-06","01:45:25",""
"7063381","8.5672","0.0004","8.6047","0.0003","9.679","0.0004","90","","108.03","0.001","90","","678.48","0.05","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H2 N10 O8 -","- C7 H2 N10 O8 -","- C14 H4 N20 O16 -","2","1","","Vangara, Srinivas; Kommu, Nagarjuna; Sahoo, Akhila K.","Harnessing triazole–oxadiazole–trinitromethyl moieties in the synthesis of insensitive energetic material with enhanced detonation performance","New Journal of Chemistry","2024","48","34","14860","14864","10.1039/D4NJ03052D","","","0.71073","MoKα","","0.0911","0.0751","","","0.2126","0.2313","","","","","","1.056","","","","has coordinates","294613","2024-09-06","01:46:05",""
"7063382","9.4714","0.0005","15.7034","0.0008","15.8686","0.0009","90","","90.069","0.003","90","","2360.2","0.2","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Nickel complex","","- C27 H30 N4 Ni -","- C27 H30 N4 Ni -","- C108 H120 N16 Ni4 -","4","1","","Guchhait, Tapas; Giri, Monalisa; Mishra, Soumya; Roy, Satabdi","Steric influence and controlled dynamic process in a chiral square planar nickel(ii) complex supported by a dipyrromethane-based NNNN tetradentate ligand","New Journal of Chemistry","2024","48","34","15240","15247","10.1039/D4NJ03166K","","","0.71073","MoKα","","0.0521","0.0348","","","0.0905","0.0998","","","","","","1.038","","","","has coordinates","294615","2024-09-06","01:47:22",""
"7063383","9.7367","0.0006","9.9869","0.0006","13.6433","0.001","108.007","0.002","93.048","0.002","114.48","0.002","1122.8","0.13","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H32 N6 Ni -","- C25 H32 N6 Ni -","- C50 H64 N12 Ni2 -","2","1","","Guchhait, Tapas; Giri, Monalisa; Mishra, Soumya; Roy, Satabdi","Steric influence and controlled dynamic process in a chiral square planar nickel(ii) complex supported by a dipyrromethane-based NNNN tetradentate ligand","New Journal of Chemistry","2024","48","34","15240","15247","10.1039/D4NJ03166K","","","0.71073","MoKα","","0.0664","0.0539","","","0.1529","0.16","","","","","","1.131","","","","has coordinates","294615","2024-09-06","01:47:23",""
"7063384","6.327","0.0007","9.2759","0.001","9.4488","0.001","88.275","0.005","73.972","0.005","76.714","0.005","518.39","0.1","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H5 Eu O9 -","- C10 H5 Eu O9 -","- C20 H10 Eu2 O18 -","2","1","","Sen, Charanjeet; Devi, Swaita; Niharika,; Bhagat, Nidhi; Sheikh, Haq Nawaz","A 3D photoluminescent Eu(iii)-MOF sensor supported by a tetracarboxylate ligand for the sensitive and selective detection of Cd2+ and o-nitrophenol","New Journal of Chemistry","2024","48","34","15136","15148","10.1039/D4NJ02641A","","","1.54178","CuKα","","0.0336","0.0327","","","0.0875","0.0887","","","","","","1.129","","","","has coordinates","294610","2024-09-06","01:45:35",""
"7063385","10.2838","0.0003","11.0436","0.0003","14.4322","0.0004","71.019","0.001","85.098","0.001","82.015","0.001","1533.5","0.08","150.15","","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H86 N4 O8 Te2 -","- C64 H86 N4 O8 Te2 -","- C64 H86 N4 O8 Te2 -","1","0.5","","Petrov, Pavel A.; Filippova, Elizaveta A.; Sukhikh, Taisiya S.; Sheven, Dmitriy G.; Novikov, Alexander S.","Adducts of a sterically hindered tellurium(iv) catecholate with diimines","New Journal of Chemistry","2024","48","35","15483","15492","10.1039/D4NJ02469A","","","0.71073","MoKα","","0.0522","0.0417","","","0.0962","0.1062","","","","","","0.965","","","","has coordinates","295314","2024-10-06","09:06:32",""
"7063386","15.523","0.0003","20.9039","0.0005","13.8186","0.0004","90","","95.551","0.001","90","","4462.99","0.19","150.15","","150.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H64 N2 O4 Te -","- C48 H64 N2 O4 Te -","- C192 H256 N8 O16 Te4 -","4","0.5","","Petrov, Pavel A.; Filippova, Elizaveta A.; Sukhikh, Taisiya S.; Sheven, Dmitriy G.; Novikov, Alexander S.","Adducts of a sterically hindered tellurium(iv) catecholate with diimines","New Journal of Chemistry","2024","48","35","15483","15492","10.1039/D4NJ02469A","","","0.71073","MoKα","","0.0305","0.024","","","0.0559","0.0579","","","","","","1.01","","","","has coordinates","295314","2024-10-06","09:06:32",""
"7063387","10.7879","0.0019","11.946","0.002","21.895","0.004","80.413","0.006","79.028","0.005","75.662","0.005","2662.6","0.8","150.15","","150.15","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H40 O4 Te -","- C28 H40 O4 Te -","- C112 H160 O16 Te4 -","4","2","","Petrov, Pavel A.; Filippova, Elizaveta A.; Sukhikh, Taisiya S.; Sheven, Dmitriy G.; Novikov, Alexander S.","Adducts of a sterically hindered tellurium(iv) catecholate with diimines","New Journal of Chemistry","2024","48","35","15483","15492","10.1039/D4NJ02469A","","","0.71073","MoKα","","0.1359","0.0718","","","0.1486","0.1746","","","","","","0.923","","","","has coordinates","295314","2024-10-06","09:06:32",""
"7063388","10.0622","0.0002","18.5721","0.0005","22.3625","0.0006","80.22","0.001","86.468","0.001","84.576","0.001","4095.42","0.18","150.15","","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C91 H112 N4 O8 Te2 -","- C91 H112 N4 O8 Te2 -","- C182 H224 N8 O16 Te4 -","2","1","","Petrov, Pavel A.; Filippova, Elizaveta A.; Sukhikh, Taisiya S.; Sheven, Dmitriy G.; Novikov, Alexander S.","Adducts of a sterically hindered tellurium(iv) catecholate with diimines","New Journal of Chemistry","2024","48","35","15483","15492","10.1039/D4NJ02469A","","","0.71073","MoKα","","0.059","0.0376","","","0.0852","0.0938","","","","","","0.995","","","","has coordinates,has disorder","295314","2024-10-06","09:06:32",""
"7063389","10.5866","0.0011","13.8449","0.0013","15.3756","0.0015","107.42","0.004","108.898","0.003","98.439","0.004","1958.8","0.3","150.15","","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C87 H104 N4 O8 Te2 -","- C87 H104 N4 O8 Te2 -","- C87 H104 N4 O8 Te2 -","1","0.5","","Petrov, Pavel A.; Filippova, Elizaveta A.; Sukhikh, Taisiya S.; Sheven, Dmitriy G.; Novikov, Alexander S.","Adducts of a sterically hindered tellurium(iv) catecholate with diimines","New Journal of Chemistry","2024","48","35","15483","15492","10.1039/D4NJ02469A","","","0.71073","MoKα","","0.038","0.0319","","","0.0678","0.0714","","","","","","1.045","","","","has coordinates,has disorder","295314","2024-10-06","09:06:32",""
"7063390","11.611","0.0003","18.372","0.0007","18.9824","0.0008","90","","106.946","0.001","90","","3873.5","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80.5 H97 Cl N4 O10 Te2 -","- C80 H96 N4 O10 Te2 -","- C160 H192 N8 O20 Te4 -","2","0.5","","Petrov, Pavel A.; Filippova, Elizaveta A.; Sukhikh, Taisiya S.; Sheven, Dmitriy G.; Novikov, Alexander S.","Adducts of a sterically hindered tellurium(iv) catecholate with diimines","New Journal of Chemistry","2024","48","35","15483","15492","10.1039/D4NJ02469A","","","0.71073","MoKα","","0.0564","0.0356","","","0.0707","0.0766","","","","","","1.025","","","","has coordinates","295314","2024-10-06","09:06:32",""
"7063391","8.9565","0.0007","12.0727","0.0009","12.5432","0.001","107.005","0.003","105.112","0.003","97.415","0.003","1220.78","0.17","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H20 Br2 N2 O -","- C30 H20 Br2 N2 O -","- C60 H40 Br4 N4 O2 -","2","1","","Pasuparthy, Sai Deepak; Somkuwar, Pranati; Kali, Venkatesan; Somanahalli Kalleshappa, Ashok Kumar; Maiti, Barnali","Synthesis of dimeric indoles from Friedel–Crafts reaction of indoles with ketones catalysed by a Brønsted acid ionic liquid and their interactions with BSA and DNA","New Journal of Chemistry","2024","48","34","14904","14923","10.1039/D4NJ02651A","","","0.71073","MoKα","","0.1015","0.0535","","","0.1355","0.1577","","","","","","1.029","","","","has coordinates","294612","2024-09-06","01:45:55",""
"7063392","33.1589","0.0006","33.1589","0.0006","15.9534","0.0003","90","","90","","120","","15190.9","0.5","90","2","90","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C112 H206 Co13 N10 O92 S8 V24 -","- C111.997 H205.995 Co13 N9.9996 O92 S8 V24 -","- C335.99 H617.985 Co39 N29.9988 O276 S24 V72 -","3","0.166667","","Kikukawa, Yuji; Yoshida, Isshin; Mitsuhashi, Ryoji; Yamane, Masaru; Hayashi, Yoshihito","Synthesis and catalysis of a Co13 disk surrounded by vanadium–oxygen crown","New Journal of Chemistry","2024","48","35","15307","15312","10.1039/D4NJ02900C","","","1.54178","CuKα","","0.0811","0.0636","","","0.1817","0.2004","","","","","","1.039","","","","has coordinates","295317","2024-10-06","09:06:58",""
"7063393","10.9368","0.0003","21.6415","0.0006","10.4253","0.0003","90","","98.771","0.001","90","","2438.69","0.12","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Br O3 -","- C28 H25 Br O3 -","- C112 H100 Br4 O12 -","4","1","","Yue, Guizhou; Du, Biao; Wang, Qiumi; Cheng, Silu; Ma, Lan; Lu, Cuifen; Feng, Juhua; Hu, Haipeng; Li, Sicheng; He, Qiao","DABCO-catalyzed mono- and bisallylation of β,γ-unsaturated ketones with Morita–Baylis–Hillman carbonates","New Journal of Chemistry","2024","48","35","15446","15451","10.1039/D4NJ02086C","","","1.34139","GaKα","","0.0469","0.0437","","","0.1185","0.1212","","","","","","1.069","","","","has coordinates","295318","2024-10-06","09:07:05",""
"7063394","14.1612","0.0004","12.8676","0.0004","31.9346","0.001","90","","98.367","0.003","90","","5757.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H30 B10 Cl F -","- C29 H30 B10 Cl F -","- C232 H240 B80 Cl8 F8 -","8","1","","Li, Fengjiao; Dong, Yiran; Miao, Jinling; Nie, Yong; Zhang, Yujian; Li, Tianrui; Xu, Chunyue; Liu, Guangning; Jiang, Xuchuan","Halogen-containing bridged carborane–tetraphenylethene compounds: efficient and wide-range shifted excitation-dependent emissions","New Journal of Chemistry","2024","48","35","15532","15539","10.1039/D4NJ02867H","","x-ray","0.71073","MoKα","","0.0823","0.0746","","","0.2028","0.2076","","","","","","1.127","","","","has coordinates","295315","2024-10-06","09:06:41",""
"7063395","11.6774","0.0003","12.0992","0.0003","14.8445","0.0004","88.277","0.002","72.382","0.002","71.54","0.002","1891.08","0.09","298","1","298","1","","","","","","","","3","P -1","-P 1","2","","","","- C54 H38 O3 -","- C54 H38 O3 -","- C108 H76 O6 -","2","1","","Wei, Ruiqi; Zhou, Ruiyuan; Shen, Ripei; Han, Jie","Tuning the photochromism of indeno-fused 2H-naphthopyrans using steric spirocyclic groups","New Journal of Chemistry","2024","48","35","15352","15357","10.1039/D4NJ02706J","","x-ray","1.54184","CuKα","","0.0416","0.0383","","","0.1024","0.1049","","","","","","1.059","","","","has coordinates","295316","2024-10-06","09:06:48",""
"7063396","13.1367","0.0019","16.011","0.002","23.77","0.004","75.598","0.004","83.619","0.005","71.724","0.004","4595.2","1.2","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H88 Cl8 Co4 N8 O13 -","- C92 H88 Cl8 Co4 N8 O13 -","- C184 H176 Cl16 Co8 N16 O26 -","2","1","","Mourer, Maxime; Bouizi, Younes; Leclerc, Sébastien; Malaman, Bernard; Regnouf de Vains, Jean-Bernard","Synthesis of a tube-like tetra-bipyridyl, tetra-ethylacetato-calix[4]arene in 1,3-alternate conformation and the unexpected crystal structure of its [bpy(CoCl2)]3-[bpy(CoCl2)(H2O)] complex","New Journal of Chemistry","2024","48","35","15577","15589","10.1039/D4NJ02476A","","","0.71073","MoKα","","0.0619","0.0407","","","0.0839","0.0904","","","","","","1.069","","","","has coordinates","295313","2024-10-06","09:06:12",""
"7063397","14.8086","0.0002","9.1808","0.0002","9.3863","0.0002","90","","97.203","0.001","90","","1266.04","0.04","297.52","0.1","297.52","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Br N3 O2 -","- C12 H12 Br N3 O2 -","- C48 H48 Br4 N12 O8 -","4","1","","Deng, Yaqi; Yin, Jiabin; Hu, Zongjing; Xue, Jian; Ji, Jian; Zhu, Tong; Liu, Shunying","Iodide ion-enabled highly regioselective α-C(sp3)–H triazolization of ethers with N-sulfonyl-1,2,3-triazoles","New Journal of Chemistry","2024","48","34","15002","15007","10.1039/D4NJ02699C","","x-ray","1.54184","CuKα","","0.0415","0.0384","","","0.108","0.1105","","","","","","1.1","","","","has coordinates","294616","2024-09-06","01:47:34",""
"7063398","7.3698","0.0005","20.7261","0.0015","11.6141","0.0008","90","","99.476","0.006","90","","1749.8","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C21 H13 B F5 N3 -","- C21 H13 B F5 N3 -","- C84 H52 B4 F20 N12 -","4","1","","Martyanova, Elena G.; Martyanov, Timofey P.; Tomilin, Denis N.; Ushakov, Igor A.; Korchagin, Denis V.; Spirin, Maxim G.; Razumov, Vladimir F.; Sobenina, Lyubov N.; Trofimov, Boris A.","Pyridyl-BODIPY dyes: synthesis, optical properties and adsorption on CdSe quantum dots","New Journal of Chemistry","2024","48","34","15036","15044","10.1039/D4NJ02588A","","","0.7107","MoKα","","0.0614","0.0428","","","0.0949","0.1035","","","","","","1.024","","","","has coordinates","294608","2024-09-06","01:44:58",""
"7063399","22.4814","0.001","7.5423","0.0003","23.1843","0.0012","90","","115.965","0.006","90","","3534.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 B F5 N3 -","- C21 H13 B F5 N3 -","- C168 H104 B8 F40 N24 -","8","2","","Martyanova, Elena G.; Martyanov, Timofey P.; Tomilin, Denis N.; Ushakov, Igor A.; Korchagin, Denis V.; Spirin, Maxim G.; Razumov, Vladimir F.; Sobenina, Lyubov N.; Trofimov, Boris A.","Pyridyl-BODIPY dyes: synthesis, optical properties and adsorption on CdSe quantum dots","New Journal of Chemistry","2024","48","34","15036","15044","10.1039/D4NJ02588A","","","0.7107","MoKα","","0.0941","0.0558","","","0.099","0.1152","","","","","","1.033","","","","has coordinates","294608","2024-09-06","01:45:01",""
"7063400","22.1534","0.0007","7.4412","0.0002","23.4217","0.0007","90","","113.902","0.004","90","","3529.9","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 B F5 N3 -","- C21 H13 B F5 N3 -","- C168 H104 B8 F40 N24 -","8","2","","Martyanova, Elena G.; Martyanov, Timofey P.; Tomilin, Denis N.; Ushakov, Igor A.; Korchagin, Denis V.; Spirin, Maxim G.; Razumov, Vladimir F.; Sobenina, Lyubov N.; Trofimov, Boris A.","Pyridyl-BODIPY dyes: synthesis, optical properties and adsorption on CdSe quantum dots","New Journal of Chemistry","2024","48","34","15036","15044","10.1039/D4NJ02588A","","","0.7107","MoKα","","0.062","0.042","","","0.0964","0.1055","","","","","","1.042","","","","has coordinates","294608","2024-09-06","01:45:01",""
"7063401","22.4303","0.0008","7.4381","0.0002","23.5781","0.0008","90","","114.362","0.004","90","","3583.5","0.2","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 B F5 N2 -","- C22 H14 B F5 N2 -","- C176 H112 B8 F40 N16 -","8","2","","Martyanova, Elena G.; Martyanov, Timofey P.; Tomilin, Denis N.; Ushakov, Igor A.; Korchagin, Denis V.; Spirin, Maxim G.; Razumov, Vladimir F.; Sobenina, Lyubov N.; Trofimov, Boris A.","Pyridyl-BODIPY dyes: synthesis, optical properties and adsorption on CdSe quantum dots","New Journal of Chemistry","2024","48","34","15036","15044","10.1039/D4NJ02588A","","x-ray","0.71073","MoKα","","0.0906","0.0517","","","0.1046","0.1185","","","","","","0.978","","","","has coordinates","294608","2024-09-06","01:45:01",""
"7063402","10.9361","0.0001","16.7007","0.0001","40.8473","0.0004","90","","96.735","0.001","90","","7408.89","0.11","298","2","298","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C41 H34 Cl N O0.5 P2 Pd S -","- C41 H34 Cl N O0.5 P2 Pd S -","- C328 H272 Cl8 N8 O4 P16 Pd8 S8 -","8","1","","Pal, M. K.; Wadawale, A. P.; Dey, S.","Bimetallic Pd/Cu complexes of pyridylchalcogenolates and their catalytic activity in the Sonogashira reaction","New Journal of Chemistry","2024","48","36","15823","15829","10.1039/D4NJ02694B","","x-ray","1.54184","CuKα","","0.0631","0.0341","","","0.0928","0.1107","","","","","","1.053","","","","has coordinates,has disorder","295306","2024-10-06","09:04:27",""
"7063403","13.1283","0.0002","19.3886","0.0003","8.7656","0.0001","90","","91.432","0.001","90","","2230.49","0.05","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H46 N2 O2 P2 Pd S2 -","- C48 H46 N2 O2 P2 Pd S2 -","- C96 H92 N4 O4 P4 Pd2 S4 -","2","0.5","","Pal, M. K.; Wadawale, A. P.; Dey, S.","Bimetallic Pd/Cu complexes of pyridylchalcogenolates and their catalytic activity in the Sonogashira reaction","New Journal of Chemistry","2024","48","36","15823","15829","10.1039/D4NJ02694B","","x-ray","1.54184","CuKα","","0.0572","0.0353","","","0.0898","0.1109","","","","","","1.086","","","","has coordinates","295306","2024-10-06","09:04:28",""
"7063404","11.6827","0.0001","14.2202","0.0001","16.7498","0.0001","69.418","0.001","78.053","0.001","83.557","0.001","2546.24","0.04","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C118 H98 Cl2 Cu2 N2 P6 Pd S2 -","- C118 H98 Cl2 Cu2 N2 P6 Pd S2 -","- C118 H98 Cl2 Cu2 N2 P6 Pd S2 -","1","0.5","","Pal, M. K.; Wadawale, A. P.; Dey, S.","Bimetallic Pd/Cu complexes of pyridylchalcogenolates and their catalytic activity in the Sonogashira reaction","New Journal of Chemistry","2024","48","36","15823","15829","10.1039/D4NJ02694B","","x-ray","1.54184","CuKα","","0.0436","0.042","","","0.1063","0.1075","","","","","","1.038","","","","has coordinates","295306","2024-10-06","09:04:28",""
"7063405","12.3318","0.0004","12.7988","0.0005","19.1873","0.0007","81.853","0.003","77.968","0.003","67.8","0.004","2735.65","0.19","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C118 H98 Cl2 Cu2 N2 P6 Pd Se2 -","- C118 H98 Cl2 Cu2 N2 P6 Pd Se2 -","- C118 H98 Cl2 Cu2 N2 P6 Pd Se2 -","1","0.5","","Pal, M. K.; Wadawale, A. P.; Dey, S.","Bimetallic Pd/Cu complexes of pyridylchalcogenolates and their catalytic activity in the Sonogashira reaction","New Journal of Chemistry","2024","48","36","15823","15829","10.1039/D4NJ02694B","","x-ray","1.54184","CuKα","","0.0531","0.0467","","","0.1363","0.1424","","","","","","1.077","","","","has coordinates,has disorder","295306","2024-10-06","09:04:28",""
"7063406","13.619","0.003","13.029","0.003","14.861","0.004","90","","97.778","0.008","90","","2612.7","1.1","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 Cu N6 O2 S2 -","- C28 H28 Cu N6 O2 S2 -","- C112 H112 Cu4 N24 O8 S8 -","4","1","","Ahmad, Reyaz; Choudhary, Mukesh","Design and synthesis of copper(ii) and nickel(ii) complexes as potential inhibitors against SARS-CoV-2 viral RNA binding protein and Omicron RBD protein","New Journal of Chemistry","2024","48","34","15053","15076","10.1039/D4NJ02753A","","","0.71073","MoKα","","0.1318","0.0721","","","0.1452","0.1683","","","","","","1.049","","","","has coordinates","294606","2024-09-06","01:44:00",""
"7063407","7.9246","0.0005","8.2663","0.0004","10.8997","0.0007","82.906","0.002","82.315","0.002","67.927","0.002","653.64","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 N6 Ni O2 S2 -","- C28 H28 N6 Ni O2 S2 -","- C28 H28 N6 Ni O2 S2 -","1","0.5","","Ahmad, Reyaz; Choudhary, Mukesh","Design and synthesis of copper(ii) and nickel(ii) complexes as potential inhibitors against SARS-CoV-2 viral RNA binding protein and Omicron RBD protein","New Journal of Chemistry","2024","48","34","15053","15076","10.1039/D4NJ02753A","","","0.71073","MoKα","","0.0299","0.0282","","","0.076","0.078","","","","","","1.056","","","","has coordinates","294606","2024-09-06","01:44:09",""
"7063408","18.9092","0.0019","13.9416","0.0012","18.272","0.003","90","","120.899","0.003","90","","4133.3","0.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H72 N2 O9 V -","- C36 H72 N2 O9 V -","- C144 H288 N8 O36 V4 -","4","0.5","","Vorobyeva, Sofia N.; Rudzis, Zakhar V.; Sukhikh, Taisiya S.; Filatov, Evgeny Yu.; Plusnin, Pavel E.; Nadolinny, Vladimir A.; Bogomyakov, Artem S.; Korenev, Sergey V.","Double complex salts based on tetraamminplatinum(ii) and vanadyl(iv) bisoxalate for the preparation of bimetallic Pt–V alloys","New Journal of Chemistry","2024","48","36","15894","15903","10.1039/D4NJ03084B","","","0.71073","MoKα","","0.0648","0.0449","","","0.1021","0.1156","","","","","","1.04","","","","has coordinates","295311","2024-10-06","09:05:34",""
"7063409","8.8694","0.0005","14.916","0.0006","16.6499","0.0007","90","","103.309","0.002","90","","2143.56","0.17","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H36 N O6 V -","- C18 H36 N O6 V -","- C72 H144 N4 O24 V4 -","4","1","","Vorobyeva, Sofia N.; Rudzis, Zakhar V.; Sukhikh, Taisiya S.; Filatov, Evgeny Yu.; Plusnin, Pavel E.; Nadolinny, Vladimir A.; Bogomyakov, Artem S.; Korenev, Sergey V.","Double complex salts based on tetraamminplatinum(ii) and vanadyl(iv) bisoxalate for the preparation of bimetallic Pt–V alloys","New Journal of Chemistry","2024","48","36","15894","15903","10.1039/D4NJ03084B","","","0.71073","MoKα","","0.0729","0.0473","","","0.0951","0.1098","","","","","","1.035","","","","has coordinates","295311","2024-10-06","09:05:34",""
"7063410","7.2795","0.0001","8.2434","0.0001","12.9863","0.0002","108.135","0.001","97.304","0.001","95.743","0.001","726.456","0.018","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C4 H18 N4 O12 Pt V -","- C4 H18 N4 O12 Pt V -","- C8 H36 N8 O24 Pt2 V2 -","2","1","","Vorobyeva, Sofia N.; Rudzis, Zakhar V.; Sukhikh, Taisiya S.; Filatov, Evgeny Yu.; Plusnin, Pavel E.; Nadolinny, Vladimir A.; Bogomyakov, Artem S.; Korenev, Sergey V.","Double complex salts based on tetraamminplatinum(ii) and vanadyl(iv) bisoxalate for the preparation of bimetallic Pt–V alloys","New Journal of Chemistry","2024","48","36","15894","15903","10.1039/D4NJ03084B","","","0.71073","MoKα","","0.0252","0.0192","","","0.0414","0.0433","","","","","","1.066","","","","has coordinates","295311","2024-10-06","09:05:34",""
"7063411","19.603","0.008","7.945","0.003","15.358","0.006","90","","97.242","0.013","90","","2372.9","1.6","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H12 N4 O9 Pt V -","- C4 H12 N4 O9 Pt V -","- C32 H96 N32 O72 Pt8 V8 -","8","1","","Vorobyeva, Sofia N.; Rudzis, Zakhar V.; Sukhikh, Taisiya S.; Filatov, Evgeny Yu.; Plusnin, Pavel E.; Nadolinny, Vladimir A.; Bogomyakov, Artem S.; Korenev, Sergey V.","Double complex salts based on tetraamminplatinum(ii) and vanadyl(iv) bisoxalate for the preparation of bimetallic Pt–V alloys","New Journal of Chemistry","2024","48","36","15894","15903","10.1039/D4NJ03084B","","","0.71073","MoKα","","0.0996","0.0561","","","0.0987","0.119","","","","","","0.95","","","","has coordinates","295311","2024-10-06","09:05:34",""
"7063412","11.2233","0.0009","11.4457","0.0006","13.8029","0.0012","111.594","0.007","113.52","0.008","92.114","0.005","1476.2","0.2","298","","298","","","","","","","","","6","P 1","P 1","1","[Mn(O-Vanen)(H2O)NCS]2.4CH3CN","","","- C27 H32 Mn N5 O5 S -","- C27 H32 Mn N5 O5 S -","- C54 H64 Mn2 N10 O10 S2 -","2","2","","Narayanaswamy, Srinivasan; Bhargavi, G.; Rajasekharan, M. V.","Exploring supramolecular architectures in Mn(iii) two-compartment o-vanhd Schiff base complexes: insights from apical aqua ligands and bond valence sum analysis","New Journal of Chemistry","2024","48","34","15215","15226","10.1039/D4NJ02177K","","","0.71073","MoKα","","0.1335","0.0661","","","0.0787","0.1018","","","","","","0.983","","","","has coordinates","294611","2024-09-06","01:45:44",""
"7063413","13.8746","0.0013","13.304","0.0013","15.4715","0.0014","90","","116.494","0.001","90","","2555.9","0.4","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H30 Cl Mn N2 O11 -","- C22 H30 Cl Mn N2 O11 -","- C88 H120 Cl4 Mn4 N8 O44 -","4","2","","Narayanaswamy, Srinivasan; Bhargavi, G.; Rajasekharan, M. V.","Exploring supramolecular architectures in Mn(iii) two-compartment o-vanhd Schiff base complexes: insights from apical aqua ligands and bond valence sum analysis","New Journal of Chemistry","2024","48","34","15215","15226","10.1039/D4NJ02177K","","","0.71073","MoKα","","0.0414","0.0388","","","0.1028","0.1049","","","","","","1.025","","","","has coordinates","294611","2024-09-06","01:45:44",""
"7063414","8.2741","0.0007","24.624","0.002","11.7985","0.001","90","","96.269","0.002","90","","2389.5","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","[Mn(O-Vanen)(H2O)NNN]2.2CH3OH","","","- C23 H30 Mn N5 O6 -","- C23 H30 Mn N5 O6 -","- C92 H120 Mn4 N20 O24 -","4","2","","Narayanaswamy, Srinivasan; Bhargavi, G.; Rajasekharan, M. V.","Exploring supramolecular architectures in Mn(iii) two-compartment o-vanhd Schiff base complexes: insights from apical aqua ligands and bond valence sum analysis","New Journal of Chemistry","2024","48","34","15215","15226","10.1039/D4NJ02177K","","","0.71073","MoKα","","0.0752","0.0558","","","0.1123","0.1204","","","","","","1.015","","","","has coordinates","294611","2024-09-06","01:45:44",""
"7063415","12.4415","0.0002","12.8011","0.0002","59.9701","0.0007","90","","90","","90","","9551.1","0.2","150","2","150.01","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H28 F N Ni P2 S2 -","- C35 H28 F N Ni P2 S2 -","- C420 H336 F12 N12 Ni12 P24 S24 -","12","3","","Kushwaha, Aparna; Srivastava, Devyani; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Chauhan, Ratna; Ahmed, Sarfaraz; Kumar, Abhinav","Supramolecular and electrocatalytic OER properties of new heteroleptic fluoro- and trifluoromethyl-substituted Ni(ii)-dithiolates: effects of substituents and dihedral angle on the electrocatalytic performance","New Journal of Chemistry","2024","48","36","15856","15865","10.1039/D4NJ03502J","","x-ray","1.54184","CuKα","","0.0823","0.0809","","","0.1675","0.1682","","","","","","1.185","","","","has coordinates,has disorder","295309","2024-10-06","09:05:13",""
"7063416","11.903","0.0004","14.9884","0.0004","19.4818","0.0005","90","","104.714","0.003","90","","3361.71","0.17","150","2","149.9","0.6","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 F3 N Ni P2 S2 -","- C36 H28 F3 N Ni P2 S2 -","- C144 H112 F12 N4 Ni4 P8 S8 -","4","1","","Kushwaha, Aparna; Srivastava, Devyani; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Chauhan, Ratna; Ahmed, Sarfaraz; Kumar, Abhinav","Supramolecular and electrocatalytic OER properties of new heteroleptic fluoro- and trifluoromethyl-substituted Ni(ii)-dithiolates: effects of substituents and dihedral angle on the electrocatalytic performance","New Journal of Chemistry","2024","48","36","15856","15865","10.1039/D4NJ03502J","","x-ray","0.71073","MoKα","","0.0884","0.0552","","","0.1293","0.146","","","","","","1.036","","","","has coordinates,has disorder","295309","2024-10-06","09:05:14",""
"7063417","17.5971","0.0005","7.7989","0.0002","15.1023","0.0004","90","","100.622","0.001","90","","2037.09","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Au2 Cl6 N3 -","- C14 H13 Au2 Cl6 N3 -","- C56 H52 Au8 Cl24 N12 -","4","1","","Das, Pooja; Roy, Sraddhya; Das, Chaitali; Biswas, Raju; Chaterjee, Nabanita; Dinda, Joydev","Structure-based design to explore the anticancer efficacy of organometallic Pt(ii)- and Au(iii)-N-heterocyclic carbene (NHC) complexes","New Journal of Chemistry","2024","48","37","16189","16201","10.1039/D4NJ02853H","","","0.71073","MoKα","","0.0392","0.03","","","0.063","0.0667","","","","","","1.043","","","","has coordinates","295302","2024-10-06","09:03:12",""
"7063418","11.4704","0.0006","14.022","0.0006","7.675","0.0003","90","","109.538","0.001","90","","1163.35","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H K2 N9 O6 -","- C5 H K2 N9 O6 -","- C20 H4 K8 N36 O24 -","4","1","","Liu, Shichang; Dong, Zhen; Ye, Zhiwen","Metal salts of fused triazole–triazine as promising energetic materials: crystal structures, energetic properties and high thermal stability","New Journal of Chemistry","2024","48","37","16331","16336","10.1039/D4NJ02823F","","","0.71073","MoKα","","0.0373","0.0298","","","0.0734","0.077","","","","","","1.048","","","","has coordinates","295304","2024-10-06","09:03:36",""
"7063419","7.7439","0.001","12.895","0.002","12.8216","0.0019","90","","101.938","0.005","90","","1252.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H N9 O6 Rb2 -","- C5 H N9 O6 Rb2 -","- C20 H4 N36 O24 Rb8 -","4","1","","Liu, Shichang; Dong, Zhen; Ye, Zhiwen","Metal salts of fused triazole–triazine as promising energetic materials: crystal structures, energetic properties and high thermal stability","New Journal of Chemistry","2024","48","37","16331","16336","10.1039/D4NJ02823F","","","0.71073","MoKα","","0.0574","0.0323","","","0.059","0.0648","","","","","","1.021","","","","has coordinates","295304","2024-10-06","09:03:37",""
"7063420","8.9427","0.0006","11.6294","0.0007","10.563","0.0007","90","","114.417","0.002","90","","1000.28","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H2 Cs N7 O5 -","- C5 H2 Cs N7 O5 -","- C20 H8 Cs4 N28 O20 -","4","1","","Liu, Shichang; Dong, Zhen; Ye, Zhiwen","Metal salts of fused triazole–triazine as promising energetic materials: crystal structures, energetic properties and high thermal stability","New Journal of Chemistry","2024","48","37","16331","16336","10.1039/D4NJ02823F","","","0.71073","MoKα","","0.0306","0.0222","","","0.0445","0.0468","","","","","","1.041","","","","has coordinates","295304","2024-10-06","09:03:37",""
"7063421","25.9308","0.0005","22.5853","0.0004","7.4632","0.0001","90","","90","","90","","4370.86","0.13","293","2","293","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- B3 F4 H K2 O4 -","- B3 F4 H K2 O4 -","- B72 F96 H24 K48 O96 -","24","3","","Ouyang, Tao; Chen, Xu; Chen, Shanshan; Li, Yanqiang; Shang, Xiaoying; Bai, Zhiyong; Jiang, Ningtao; Yan, Zhishuo; Luo, Junhua; Zhao, Sangen","A nonlinear optical crystal with deep-ultraviolet transparency and appropriate birefringence achieved using π-conjugated confined [B3O3F4(OH)]2−","New Journal of Chemistry","2024","48","35","15281","15286","10.1039/D4NJ02834A","","x-ray","1.54184","CuKα","","0.0407","0.0375","","","0.107","0.1097","","","","","","1.06","","","","has coordinates,has disorder","295319","2024-10-06","09:07:15",""
"7063422","13.9094","0.0014","15.1975","0.0014","19.4579","0.0016","105.358","0.002","95.154","0.003","116.471","0.003","3446","0.6","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C77 H80 B Cl4 N3 O S2 -","- C77 H80 B Cl4 N3 O S2 -","- C154 H160 B2 Cl8 N6 O2 S4 -","2","1","","Zhao, He; Han, Wenkun; Xu, Jianan; Bi, Yan; Li, He; Yang, Tianyu; Ma, Xiaoyu; Su, Chunhui","Constructing highly efficient multiple resonance fluorescence materials by inserting benzothiophene within B/N-skeletons","New Journal of Chemistry","2024","48","36","16119","16126","10.1039/D4NJ01922A","","","0.71073","MoKα","","0.1239","0.0825","","","0.2218","0.2568","","","","","","1.037","","","","has coordinates,has disorder","295312","2024-10-06","09:05:54",""
"7063423","23.434","0.002","10.2746","0.0009","24.74","0.003","90","","102.216","0.003","90","","5821.9","1","301","","301","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H62 B N3 S2 -","- C62 H62 B N3 S2 -","- C248 H248 B4 N12 S8 -","4","1","","Zhao, He; Han, Wenkun; Xu, Jianan; Bi, Yan; Li, He; Yang, Tianyu; Ma, Xiaoyu; Su, Chunhui","Constructing highly efficient multiple resonance fluorescence materials by inserting benzothiophene within B/N-skeletons","New Journal of Chemistry","2024","48","36","16119","16126","10.1039/D4NJ01922A","","","0.71073","MoKα","","0.1855","0.0985","","","0.2505","0.3052","","","","","","1.024","","","","has coordinates","295312","2024-10-06","09:05:55",""
"7063424","7.8979","0.0002","11.9743","0.0004","14.4105","0.0004","90","","90","","90","","1362.83","0.07","111.1","0.14","111.1","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 O4 -","- C17 H14 O4 -","- C68 H56 O16 -","4","1","","Ma, Haoyun; An, Xinkun; Zhang, Tingting; He, Xie; Li, Yiyi; Wang, Mingan","Synthesis of 3′H-spiro[cyclohexane-1,1′-isobenzofuran]-2,5-dien-4-one and Skeleton construction of a type D spirobisnaphthalene structure via dearomatization by a high-valence iodine reagent and Diels–Alder reaction","New Journal of Chemistry","2024","48","36","15846","15855","10.1039/D4NJ03285C","","x-ray","1.54184","CuKα","","0.0384","0.0365","","","0.0975","0.0997","","","","","","1.057","","","","has coordinates","295310","2024-10-06","09:05:23",""
"7063425","9.00305","0.00016","17.8739","0.0004","21.0833","0.0003","90","","91.3815","0.0015","90","","3391.73","0.11","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H50 B2 F4 N6 O4 -","- C34 H48 B2 F4 N6 O4 -","- C136 H192 B8 F16 N24 O16 -","4","1","","Xu, Shun-Qiang; Yang, Ting-Yu; Huang, Po-Tan; Yang, Chi-Heng; Khantamat, Orawan; Chan, Leong-Perng; Li, Chien-Hung","Rapid synthesis of a BODIPY derivative serving as a highly selective and sensitive fluorescence chemosensor for Hg2+ ion detection","New Journal of Chemistry","2024","48","39","17064","17070","10.1039/D3NJ03275B","","x-ray","0.71073","MoKα","","0.0537","0.0435","","","0.116","0.1212","","","","","","1.045","","","","has coordinates","296641","2024-12-06","20:20:29",""
"7063426","13.1578","0.0001","7.9741","0.0001","20.9819","0.0002","90","","91.086","0.001","90","","2201.06","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 Cl2 N3 O2 -","- C25 H19 Cl2 N3 O2 -","- C100 H76 Cl8 N12 O8 -","4","1","","Gond, Kavyashree Kuppayya; Maddani, Mahagundappa Rachappa","Convenient synthesis of spiro-pyrazolone–pyrrolidinones via ipso-cyclization of arylidene pyrazolones with 2-chloro-N-phenylacetamides","New Journal of Chemistry","2024","48","36","15866","15869","10.1039/D4NJ02670E","","x-ray","1.54184","CuKα","","0.0411","0.0358","","","0.0926","0.0963","","","","","","1.068","","","","has coordinates","295305","2024-10-06","09:04:16",""
"7063427","8.1513","0.0008","5.6813","0.0006","14.797","0.0015","90","","93.787","0.003","90","","683.75","0.12","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H15 N3 O -","- C16 H15 N3 O -","- C32 H30 N6 O2 -","2","1","","Gogoi, Priyanka; Rahman, Monisur; Hazarika, Roktopol; Das, Babulal; Deori, Kalyanjyoti; Sarma, Diganta","Regioselective one-pot synthesis of 1,4-disubstituted 1,2,3-triazoles over Ag–Zn-based nanoheterostructured catalysts","New Journal of Chemistry","2024","48","38","16609","16619","10.1039/D4NJ03273J","","","0.71073","MoKα","","0.0666","0.0492","","","0.1057","0.1202","","","","","","1.076","","","","has coordinates","295320","2024-10-06","09:07:28",""
"7063428","8.987","0.0009","17.1569","0.0016","24.1034","0.0018","90","","90","","90","","3716.5","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H22 N2 O2 -","- C23 H22 N2 O2 -","- C184 H176 N16 O16 -","8","1","","Karataş, Mert Olgun; Özdemir, Namık; Küçükbay, Hasan","Synthesis of imidazole-fused pentacyclic pyrrolo[3,4-c]coumarins via base-promoted rearrangement of coumarin-substituted N-heterocyclic carbene precursors","New Journal of Chemistry","2024","48","38","16676","16682","10.1039/D4NJ03146F","","","0.71073","MoKα","","0.1333","0.0514","","","0.0986","0.121","","","","","","0.9","","","","has coordinates","295321","2024-10-06","09:07:38",""
"7063429","19.64","0.0016","14.6692","0.0016","7.1693","0.0006","90","","96.833","0.007","90","","2050.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N2 O2 -","- C26 H22 N2 O2 -","- C104 H88 N8 O8 -","4","1","","Karataş, Mert Olgun; Özdemir, Namık; Küçükbay, Hasan","Synthesis of imidazole-fused pentacyclic pyrrolo[3,4-c]coumarins via base-promoted rearrangement of coumarin-substituted N-heterocyclic carbene precursors","New Journal of Chemistry","2024","48","38","16676","16682","10.1039/D4NJ03146F","","","0.71073","MoKα","","0.1397","0.0563","","","0.1012","0.1224","","","","","","0.863","","","","has coordinates","295321","2024-10-06","09:07:41",""
"7063430","8.085","0.0016","9.5451","0.0018","12.413","0.003","103.148","0.016","100.212","0.016","100.313","0.016","893.7","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C44 H40 N4 O6 -","2","1","","Karataş, Mert Olgun; Özdemir, Namık; Küçükbay, Hasan","Synthesis of imidazole-fused pentacyclic pyrrolo[3,4-c]coumarins via base-promoted rearrangement of coumarin-substituted N-heterocyclic carbene precursors","New Journal of Chemistry","2024","48","38","16676","16682","10.1039/D4NJ03146F","","","0.71073","MoKα","","0.1585","0.0516","","","0.0653","0.0864","","","","","","0.882","","","","has coordinates","295321","2024-10-06","09:07:41",""
"7063431","7.3332","0.0006","14.6008","0.0014","18.4846","0.0017","90","","93.359","0.003","90","","1975.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N2 O2 -","- C26 H20 N2 O2 -","- C104 H80 N8 O8 -","4","1","","Karataş, Mert Olgun; Özdemir, Namık; Küçükbay, Hasan","Synthesis of imidazole-fused pentacyclic pyrrolo[3,4-c]coumarins via base-promoted rearrangement of coumarin-substituted N-heterocyclic carbene precursors","New Journal of Chemistry","2024","48","38","16676","16682","10.1039/D4NJ03146F","","","0.71073","MoKα","","0.0938","0.0534","","","0.1139","0.1313","","","","","","1.056","","","","has coordinates","295321","2024-10-06","09:07:41",""
"7063432","18.6374","0.0005","5.0271","0.0001","28.1614","0.0008","90","","108.374","0.002","90","","2503.99","0.11","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 Co N6 S4 -","- C20 H24 Co N6 S4 -","- C80 H96 Co4 N24 S16 -","4","0.5","","Ferchichi, Amal; Makhlouf, Jawher; Chukwuemeka, Kelechi; Valkonen, Arto; Abuelizz, Hatem A.; Al-Salahi, Rashad; El Bakri, Youness; Smirani, Wajda","Synthesis, crystal structure, thermal analysis, spectroscopic, optical polarizability, and DFT studies, and molecular docking approaches of novel 2-methyl-benzylammonium derivatives for potential anti-inflammatory control","New Journal of Chemistry","2024","48","36","15747","15759","10.1039/D4NJ03197K","","","0.71073","MoKα","","0.0912","0.0554","","","0.1021","0.1119","","","","","","1.037","","","","has coordinates","295308","2024-10-06","09:04:55",""
"7063433","6.5707","0.0003","10.0248","0.0005","14.7305","0.0008","100.787","0.002","91.137","0.003","90.534","0.003","952.88","0.08","170","2","170","2","","","","","","","","4","P 1","P 1","1","","","","- C9 H12 N2 S -","- C9 H12 N2 S -","- C36 H48 N8 S4 -","4","4","","Ferchichi, Amal; Makhlouf, Jawher; Chukwuemeka, Kelechi; Valkonen, Arto; Abuelizz, Hatem A.; Al-Salahi, Rashad; El Bakri, Youness; Smirani, Wajda","Synthesis, crystal structure, thermal analysis, spectroscopic, optical polarizability, and DFT studies, and molecular docking approaches of novel 2-methyl-benzylammonium derivatives for potential anti-inflammatory control","New Journal of Chemistry","2024","48","36","15747","15759","10.1039/D4NJ03197K","","","0.71073","MoKα","","0.0764","0.058","","","0.1231","0.1314","","","","","","1.035","","","","has coordinates","295308","2024-10-06","09:04:56",""
"7063434","11.0596","0.0007","11.2945","0.0008","15.3318","0.0009","111.6","0.006","93.776","0.005","104.186","0.006","1700.3","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H41 N2 O P -","- C41 H41 N2 O P -","- C82 H82 N4 O2 P2 -","2","1","","Pei, Jiaqi; Tang, Tiantian; Zhang, Jianing; Qin, Yunlong; Cheng, Pengfei; Wang, Qilin","Diastereoselective dearomative bifunctionalization of isoquinolinium salts to access bridged tetrahydroisoquinolines","New Journal of Chemistry","2024","48","37","16151","16154","10.1039/D4NJ02968B","","x-ray","1.54184","CuKα","","0.0858","0.0655","","","0.1714","0.198","","","","","","1.031","","","","has coordinates","295301","2024-10-06","09:02:59",""
"7063435","5.616","0.0016","11.962","0.003","12.004","0.004","113.799","0.009","91.846","0.01","100.923","0.009","719.2","0.4","144","2","144","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 Cu N2 O2 -","- C36 H40 Cu N2 O2 -","- C36 H40 Cu N2 O2 -","1","0.5","","Roy, Suparna; Barma, Arpita; Muhuri, Debasmita; Ghosh, Pritam; Roy, Partha","Synthesis and characterization of copper(ii) complexes: their catalytic behavior towards alcohol oxidation using NaOCl as the oxidant","New Journal of Chemistry","2024","48","34","14948","14957","10.1039/D4NJ03011G","","","0.71073","MoKα","","0.0763","0.0485","","","0.0897","0.1034","","","","","","1.068","","","","has coordinates","294389","2024-09-05","06:12:03",""
"7063436","8.1767","0.0006","8.1955","0.0006","12.1083","0.0008","92.454","0.002","109.282","0.002","95.012","0.002","760.74","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H34 Br2 Cu N6 O10 -","- C26 H34 Br2 Cu N6 O10 -","- C26 H34 Br2 Cu N6 O10 -","1","0.5","","Roy, Suparna; Barma, Arpita; Muhuri, Debasmita; Ghosh, Pritam; Roy, Partha","Synthesis and characterization of copper(ii) complexes: their catalytic behavior towards alcohol oxidation using NaOCl as the oxidant","New Journal of Chemistry","2024","48","34","14948","14957","10.1039/D4NJ03011G","","","0.71073","MoKα","","0.041","0.0366","","","0.1074","0.1122","","","","","","1.017","","","","has coordinates","294389","2024-09-05","06:12:14",""
"7063437","11.3224","0.0005","6.2518","0.0002","16.4528","0.0006","90","","92.734","0.002","90","","1163.29","0.08","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 O10 S2 Zn -","- C20 H26 O10 S2 Zn -","- C40 H52 O20 S4 Zn2 -","2","0.5","","Lakhdari-Idir, Houria; Ait Ramdane-Terbouche, Chafia; Terbouche, Achour; Ait Kaci Azzou, Katia; Ait Ramdane, Khaled; Roisnel, Thierry; Aoulmi, Fodil; Manseri, Amar; Hauchard, Didier","A novel symmetrical mononuclear zinc complex: synthesis, crystal structure, Hirshfeld surface analysis, DFT calculations, and application in a supercapacitor electrode","New Journal of Chemistry","2024","48","37","16344","16358","10.1039/D4NJ02698E","","x-ray","0.71073","MoKα","","0.027","0.0254","","","0.0737","0.0759","","","","","","0.813","","","","has coordinates","295303","2024-10-06","09:03:20",""
"7063438","11.7722","0.0003","12.5423","0.0003","14.3998","0.0004","77.402","0.002","69.513","0.002","71.13","0.002","1871.37","0.09","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C33 H40 Cl0.15 F6 I0.86 N8 O P Ru -","- C33 H40 Cl0.147 F6 I0.853 N8 O P Ru -","- C66 H80 Cl0.294 F12 I1.706 N16 O2 P2 Ru2 -","2","1","","Srivastava, Navdeep; Meena, Rohitash; Singh, Amrendra K.","Phosphine-free Ru(ii)–CNC pincer complexes with mixed protic- and classical-NHCs in the same molecule for hydrogen production via oxidant-free benzyl alcohol dehydrogenation to benzoic acids","New Journal of Chemistry","2024","48","39","17071","17082","10.1039/D4NJ03172E","","","0.71073","MoKα","","0.0712","0.0477","","","0.1048","0.1189","","","","","","1.044","","","","has coordinates,has disorder","296640","2024-12-06","20:20:21",""
"7063439","9.0475","0.0001","10.47","0.0002","12.6844","0.0002","70.937","0.001","82.24","0.001","84.179","0.001","1123.16","0.03","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 N2 O3 S -","- C25 H24 N2 O3 S -","- C50 H48 N4 O6 S2 -","2","1","","Chen, Jiadong; Tang, Shengbiao","Copper-catalyzed decarboxylative ethynyl methylene cyclic carbamates with amines: modular synthesis of 3-aminopyrroles","New Journal of Chemistry","2024","48","39","16996","16999","10.1039/D4NJ03137G","","","1.34139","GaKα","","0.0504","0.0407","","","0.1005","0.1067","","","","","","1.043","","","","has coordinates","296639","2024-12-06","20:20:14",""
"7063440","7.2871","0.0003","7.2871","0.0003","4.2516","0.0003","90","","90","","90","","225.77","0.02","298","2","298","2","","","","","","","","2","P -4 21 m","P -4 2ab","113","","","","- Ba Se3 -","- Ba Se3 -","- Ba2 Se6 -","2","0.25","","Srivastava, Komal; Ray, Akshay K.; Yadav, Sweta; Deepa, Melepurath; Prakash, Jai","A low-temperature solution route for the synthesis of single crystals of BaSe3 and its photovoltaic study","New Journal of Chemistry","2024","48","38","16869","16876","10.1039/D4NJ03041A","","","0.71073","MoKα","","0.0149","0.0139","","","0.0324","0.0329","","","","","","1.154","","","","has coordinates","295322","2024-10-06","09:07:47",""
"7063441","7.9937","0.001","8.0745","0.0009","11.8456","0.0014","90","","94.29","0.011","90","","762.43","0.16","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 N O -","- C19 H17 N O -","- C38 H34 N2 O2 -","2","1","","Patel, Shailykumari K.; Deshmukh, Aniket A.; Kahar, Lata; Raghavaiah, Pallepogu; Singh, Vinay K.","Chiral metal–dithiocarbamate complexes with pendant phenolic groups: synthesis, crystallographic, photophysical and in silico study","New Journal of Chemistry","2024","48","40","17472","17484","10.1039/D4NJ03057E","","x-ray","0.71073","MoKα","","0.0819","0.045","","","0.0959","0.1122","","","","","","1.01","","","","has coordinates","296652","2024-12-06","20:24:21",""
"7063442","7.9446","0.0009","8.028","0.0009","11.7907","0.0014","90","","94.139","0.011","90","","750.04","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 N O -","- C19 H17 N O -","- C38 H34 N2 O2 -","2","1","","Patel, Shailykumari K.; Deshmukh, Aniket A.; Kahar, Lata; Raghavaiah, Pallepogu; Singh, Vinay K.","Chiral metal–dithiocarbamate complexes with pendant phenolic groups: synthesis, crystallographic, photophysical and in silico study","New Journal of Chemistry","2024","48","40","17472","17484","10.1039/D4NJ03057E","","x-ray","0.71073","MoKα","","0.075","0.0489","","","0.1151","0.1334","","","","","","1.03","","","","has coordinates","296652","2024-12-06","20:24:21",""
"7063443","8.37","0.02","9.63","0.03","12.83","0.03","84.11","0.1","82.71","0.07","81.9","0.09","1012","5","140","","140","","","","","","","","","6","P 1","P 1","1","","","","- C43 H43 N3 Ni O3 S4 -","- C43 H43 N3 Ni O3 S4 -","- C43 H43 N3 Ni O3 S4 -","1","1","","Patel, Shailykumari K.; Deshmukh, Aniket A.; Kahar, Lata; Raghavaiah, Pallepogu; Singh, Vinay K.","Chiral metal–dithiocarbamate complexes with pendant phenolic groups: synthesis, crystallographic, photophysical and in silico study","New Journal of Chemistry","2024","48","40","17472","17484","10.1039/D4NJ03057E","","","0.71073","MoKα","","0.1733","0.0791","","","0.1498","0.1879","","","","","","0.998","","","","has coordinates","296652","2024-12-06","20:24:21",""
"7063444","10.118","0.008","11.742","0.009","14.272","0.012","69.73","0.03","72.48","0.03","73.77","0.03","1487","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","none","none","","- C32 H24 F3 N3 O5 P V -","- C32 H22 F3 N3 O5 P V -","- C64 H44 F6 N6 O10 P2 V2 -","2","1","","Martins, Francisco Mainardi; Durigon, Daniele Cocco; Chaves, Otávio Augusto; Peralta, Rosely Aparecida; Back, Davi Fernando; Terenzi, Hernán","Zwitterionic dioxidovanadium(v) complexes containing fluorinated triphenylphosphonium ligands: structure and biomacromolecule studies","New Journal of Chemistry","2024","48","41","17722","17733","10.1039/D4NJ03087G","","","0.71073","MoKα","","0.0623","0.0474","","","0.1295","0.1394","","","","","","0.991","","","","has coordinates","296627","2024-12-06","20:17:14",""
"7063445","11.288","0.004","20.111","0.007","15.857","0.005","90","","105.698","0.01","90","","3465","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H31 F3 N2 O7 P V -","- C38 H31 F3 N2 O7 P V -","- C152 H124 F12 N8 O28 P4 V4 -","4","1","","Martins, Francisco Mainardi; Durigon, Daniele Cocco; Chaves, Otávio Augusto; Peralta, Rosely Aparecida; Back, Davi Fernando; Terenzi, Hernán","Zwitterionic dioxidovanadium(v) complexes containing fluorinated triphenylphosphonium ligands: structure and biomacromolecule studies","New Journal of Chemistry","2024","48","41","17722","17733","10.1039/D4NJ03087G","","","0.71073","MoKα","","0.0742","0.0621","","","0.1644","0.1822","","","","","","1.25","","","","has coordinates","296627","2024-12-06","20:17:15",""
"7063446","14.696","0.004","14.852","0.004","16.796","0.004","111.604","0.007","91.134","0.008","111.054","0.008","3131.7","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H52 F6 N6 O10 P2 V2 -","- C66 H52 F6 N6 O10 P2 V2 -","- C132 H104 F12 N12 O20 P4 V4 -","2","1","","Martins, Francisco Mainardi; Durigon, Daniele Cocco; Chaves, Otávio Augusto; Peralta, Rosely Aparecida; Back, Davi Fernando; Terenzi, Hernán","Zwitterionic dioxidovanadium(v) complexes containing fluorinated triphenylphosphonium ligands: structure and biomacromolecule studies","New Journal of Chemistry","2024","48","41","17722","17733","10.1039/D4NJ03087G","","","0.71073","MoKα","","0.1123","0.0951","","","0.165","0.1034","","","","","","1.008","","","","has coordinates","296627","2024-12-06","20:17:15",""
"7063447","7.5938","0.0002","25.7733","0.0009","10.7174","0.0004","90","","95.79","0.002","90","","2086.88","0.12","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H26 Fe N5 O6 -","- C19 H26 Fe N5 O6 -","- C76 H104 Fe4 N20 O24 -","4","1","","Tesfaye, Dawit; Gebrezgiabher, Mamo; Braun, Jonas; Sani, Taju; Gismelseed, Abbasher; Hochdörffer, Tim; Schünemann, Volker; Kuchár, Juraj; Černák, Juraj; Anson, Christopher E.; Thomas, Madhu; Powell, Annie K.","Spin crossover behaviour of asymmetrical iron(iii) Schiff base complexes from ethylenediamine","New Journal of Chemistry","2024","48","40","17616","17622","10.1039/D4NJ03532A","","","0.71073","MoKα","","0.0508","0.0367","","","0.077","0.0846","","","","","","1.048","","","","has coordinates","296653","2024-12-06","20:24:32",""
"7063448","7.5856","0.0005","25.835","0.002","10.6741","0.0007","90","","95.694","0.007","90","","2081.5","0.3","299","2","299","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H26 Fe N5 O6 -","- C19 H26 Fe N5 O6 -","- C76 H104 Fe4 N20 O24 -","4","1","","Tesfaye, Dawit; Gebrezgiabher, Mamo; Braun, Jonas; Sani, Taju; Gismelseed, Abbasher; Hochdörffer, Tim; Schünemann, Volker; Kuchár, Juraj; Černák, Juraj; Anson, Christopher E.; Thomas, Madhu; Powell, Annie K.","Spin crossover behaviour of asymmetrical iron(iii) Schiff base complexes from ethylenediamine","New Journal of Chemistry","2024","48","40","17616","17622","10.1039/D4NJ03532A","","","0.71073","MoKα","","0.0457","0.0437","","","0.1166","0.1189","","","","","","1.083","","","","has coordinates","296653","2024-12-06","20:24:33",""
"7063449","9.5094","0.0004","9.7005","0.0004","10.5055","0.0005","90.837","0.003","92.565","0.003","97.079","0.003","960.54","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 Fe N5 O5 -","- C18 H22 Fe N5 O5 -","- C36 H44 Fe2 N10 O10 -","2","1","","Tesfaye, Dawit; Gebrezgiabher, Mamo; Braun, Jonas; Sani, Taju; Gismelseed, Abbasher; Hochdörffer, Tim; Schünemann, Volker; Kuchár, Juraj; Černák, Juraj; Anson, Christopher E.; Thomas, Madhu; Powell, Annie K.","Spin crossover behaviour of asymmetrical iron(iii) Schiff base complexes from ethylenediamine","New Journal of Chemistry","2024","48","40","17616","17622","10.1039/D4NJ03532A","","","0.71073","MoKα","","0.0694","0.0448","","","0.0983","0.1088","","","","","","1.061","","","","has coordinates","296653","2024-12-06","20:24:33",""
"7063450","12.541","0.003","13.436","0.003","17.462","0.004","84.63","0.03","76.91","0.03","79.8","0.03","2816.2","1.2","100","","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C101 H69 Cl21 Co3 N34 O6 Zr2 -","- C100 H68 Cl18 Co3 N34 O6 Zr2 -","- C100 H68 Cl18 Co3 N34 O6 Zr2 -","1","0.5","","Belova, Svetlana A.; Dudkin, Semyon V.; Belov, Alexander S.; Danshina, Anastasia A.; Dorovatovskii, Pavel V.; Budnikova, Yulia H.; Khrizanforova, Vera V.; Bratskaya, Svetlana Yu.; Balatskiy, Denis V.; Voloshin, Yan Z.","Synthesis, structure and spectroelectrochemistry of hybrid metal(iv)phthalocyaninato-capped 3d-metal pyrazoloximates as prospective precursors of stimuli-induced (responsive) single-molecule magnets, logic gates and qubits","New Journal of Chemistry","2024","48","41","17831","17848","10.1039/D4NJ02908A","","","0.745","synchrotron","","0.2","0.1531","","","0.4001","0.4304","","","","","","1.488","","","","has coordinates,has disorder","296628","2024-12-06","20:17:33",""
"7063451","12.632","0.002","13.972","0.003","15.789","0.003","97.067","0.005","101.196","0.005","92.14","0.005","2707.5","0.9","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C102 H78 Cl16 Fe3 N34 O6 Zr2 -","- C100 H74 Cl12 Fe3 N34 O6 Zr2 -","- C100 H74 Cl12 Fe3 N34 O6 Zr2 -","1","0.5","","Belova, Svetlana A.; Dudkin, Semyon V.; Belov, Alexander S.; Danshina, Anastasia A.; Dorovatovskii, Pavel V.; Budnikova, Yulia H.; Khrizanforova, Vera V.; Bratskaya, Svetlana Yu.; Balatskiy, Denis V.; Voloshin, Yan Z.","Synthesis, structure and spectroelectrochemistry of hybrid metal(iv)phthalocyaninato-capped 3d-metal pyrazoloximates as prospective precursors of stimuli-induced (responsive) single-molecule magnets, logic gates and qubits","New Journal of Chemistry","2024","48","41","17831","17848","10.1039/D4NJ02908A","","","0.71073","MoKα","","0.2579","0.0952","","","0.2012","0.2794","","","","","","0.968","","","","has coordinates","296628","2024-12-06","20:17:33",""
"7063452","11.2098","0.0017","15.554","0.002","15.734","0.002","81.418","0.009","72.559","0.009","79.554","0.009","2560.6","0.6","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C53 H44.4 Cl2 Co N17 O5.2 Zr -","- C53 H40 Cl2 Co N17 O3 Zr -","- C106 H80 Cl4 Co2 N34 O6 Zr2 -","2","1","","Belova, Svetlana A.; Dudkin, Semyon V.; Belov, Alexander S.; Danshina, Anastasia A.; Dorovatovskii, Pavel V.; Budnikova, Yulia H.; Khrizanforova, Vera V.; Bratskaya, Svetlana Yu.; Balatskiy, Denis V.; Voloshin, Yan Z.","Synthesis, structure and spectroelectrochemistry of hybrid metal(iv)phthalocyaninato-capped 3d-metal pyrazoloximates as prospective precursors of stimuli-induced (responsive) single-molecule magnets, logic gates and qubits","New Journal of Chemistry","2024","48","41","17831","17848","10.1039/D4NJ02908A","","","0.71073","MoKα","","0.1482","0.0991","","","0.2527","0.3002","","","","","","1.054","","","","has coordinates","296628","2024-12-06","20:17:33",""
"7063453","12.7743","0.0005","20.9149","0.0008","24.0058","0.0009","105.651","0.002","94.089","0.002","94.732","0.002","6125.5","0.4","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C51 H38 Cl13 Fe N17 O3 Zr -","- C49 H36 Cl7 Fe N17 O3 Zr -","- C196 H144 Cl28 Fe4 N68 O12 Zr4 -","4","2","","Belova, Svetlana A.; Dudkin, Semyon V.; Belov, Alexander S.; Danshina, Anastasia A.; Dorovatovskii, Pavel V.; Budnikova, Yulia H.; Khrizanforova, Vera V.; Bratskaya, Svetlana Yu.; Balatskiy, Denis V.; Voloshin, Yan Z.","Synthesis, structure and spectroelectrochemistry of hybrid metal(iv)phthalocyaninato-capped 3d-metal pyrazoloximates as prospective precursors of stimuli-induced (responsive) single-molecule magnets, logic gates and qubits","New Journal of Chemistry","2024","48","41","17831","17848","10.1039/D4NJ02908A","","","0.71073","MoKα","","0.1283","0.0796","","","0.2144","0.2444","","","","","","1.037","","","","has coordinates","296628","2024-12-06","20:17:33",""
"7063454","10.9488","0.0002","15.2489","0.0005","9.43379","0.00019","90","","96.3474","0.0018","90","","1565.38","0.07","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 Cl N4 O2 S -","- C16 H9 Cl N4 O2 S -","- C64 H36 Cl4 N16 O8 S4 -","4","1","","Kumar, Sandeep; Gupta, Ashis Kumar; Vaishanv, Narendra Kumar; Kant, Ruchir; Mohanan, Kishor","CsF-mediated reaction of diazo compounds with 3-nitroindoles: access to cyano- and phosphonylpyrazolo[4,3-b]indoles","New Journal of Chemistry","2024","48","40","17670","17675","10.1039/D4NJ03266G","","x-ray","1.54184","CuKα","","0.0447","0.0404","","","0.105","0.1082","","","","","","1.045","","","","has coordinates","296651","2024-12-06","20:24:11",""
"7063455","9.7148","0.0002","10.9759","0.0004","17.1768","0.0005","90","","90","","90","","1831.54","0.09","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 N3 O5 P -","- C16 H20 N3 O5 P -","- C64 H80 N12 O20 P4 -","4","1","","Kumar, Sandeep; Gupta, Ashis Kumar; Vaishanv, Narendra Kumar; Kant, Ruchir; Mohanan, Kishor","CsF-mediated reaction of diazo compounds with 3-nitroindoles: access to cyano- and phosphonylpyrazolo[4,3-b]indoles","New Journal of Chemistry","2024","48","40","17670","17675","10.1039/D4NJ03266G","","x-ray","1.54184","CuKα","","0.0392","0.0364","","","0.0956","0.0978","","","","","","1.076","","","","has coordinates","296651","2024-12-06","20:24:12",""
"7063456","12.0547","0.0003","11.8933","0.0003","22.4765","0.0005","90","","101.864","0.0012","90","","3153.62","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H47 N3 O S Ti -","- C39 H47 N3 O S Ti -","- C156 H188 N12 O4 S4 Ti4 -","4","1","","Schwitalla, Kevin; Claußen, Marie; Schmidtmann, Marc; Beckhaus, Rüdiger","Syntheses and coordination chemistry of thiosemicarbazone-based titanium complexes","New Journal of Chemistry","2024","48","42","18066","18074","10.1039/D4NJ04061A","","","1.54178","CuKα","","0.0355","0.0315","","","0.0818","0.0847","","","","","","1.037","","","","has coordinates","296637","2024-12-06","20:19:53",""
"7063457","13.7863","0.0007","22.5048","0.0013","17.5439","0.001","90","","105.069","0.002","90","","5256","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H54 F6 N6 O11 S4 Ti2 -","- C42 H54 F6 N6 O11 S4 Ti2 -","- C168 H216 F24 N24 O44 S16 Ti8 -","4","0.5","","Schwitalla, Kevin; Claußen, Marie; Schmidtmann, Marc; Beckhaus, Rüdiger","Syntheses and coordination chemistry of thiosemicarbazone-based titanium complexes","New Journal of Chemistry","2024","48","42","18066","18074","10.1039/D4NJ04061A","","","0.71073","MoKα","","0.0634","0.0556","","","0.1387","0.1434","","","","","","1.113","","","","has coordinates,has disorder","296637","2024-12-06","20:19:54",""
"7063458","11.6805","0.0006","12.0032","0.0006","12.9169","0.0007","92.218","0.003","107.971","0.003","109.627","0.002","1601.95","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H47 N3 S Ti -","- C39 H47 N3 S Ti -","- C78 H94 N6 S2 Ti2 -","2","1","","Schwitalla, Kevin; Claußen, Marie; Schmidtmann, Marc; Beckhaus, Rüdiger","Syntheses and coordination chemistry of thiosemicarbazone-based titanium complexes","New Journal of Chemistry","2024","48","42","18066","18074","10.1039/D4NJ04061A","","","0.71073","MoKα","","0.0357","0.0283","","","0.0773","0.0812","","","","","","1.045","","","","has coordinates","296637","2024-12-06","20:19:54",""
"7063459","23.3583","0.0014","10.5011","0.0005","30.2781","0.0018","90","","90","","90","","7426.8","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H52 N4 S Ti -","- C44 H52 N4 S Ti -","- C352 H416 N32 S8 Ti8 -","8","1","","Schwitalla, Kevin; Claußen, Marie; Schmidtmann, Marc; Beckhaus, Rüdiger","Syntheses and coordination chemistry of thiosemicarbazone-based titanium complexes","New Journal of Chemistry","2024","48","42","18066","18074","10.1039/D4NJ04061A","","","0.71073","MoKα","","0.0553","0.0449","","","0.0909","0.0954","","","","","","1.085","","","","has coordinates","296637","2024-12-06","20:19:54",""
"7063460","14.4377","0.0005","12.587","0.0005","21.9625","0.0008","90","","97.415","0.0015","90","","3957.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H45 N3 S2 Ti -","- C47 H45 N3 S2 Ti -","- C188 H180 N12 S8 Ti4 -","4","1","","Schwitalla, Kevin; Claußen, Marie; Schmidtmann, Marc; Beckhaus, Rüdiger","Syntheses and coordination chemistry of thiosemicarbazone-based titanium complexes","New Journal of Chemistry","2024","48","42","18066","18074","10.1039/D4NJ04061A","","","0.71073","MoKα","","0.0394","0.035","","","0.0909","0.0939","","","","","","1.068","","","","has coordinates","296637","2024-12-06","20:19:54",""
"7063461","11.3903","0.0004","15.3731","0.0005","24.4921","0.0009","90","","90.899","0.003","90","","4288.1","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H58 O6 -","- C42 H58 O6 -","- C168 H232 O24 -","4","1","","Cherkasova, Anna V.; Martyanov, Konstantin A.; Rychagova, Elena A.; Kozhanov, Konstantin A.; Cherkasov, Anton V.; Kuropatov, Viacheslav A.","A family of dioxyarylene linked di-o-quinones. Structural dependence on the topology of the linker: a comparative study","New Journal of Chemistry","2024","48","42","18075","18087","10.1039/D4NJ03965C","","","0.71073","MoKα","","0.1206","0.0547","","","0.1089","0.116","","","","","","1.006","","","","has coordinates","296634","2024-12-06","20:18:50",""
"7063462","10.2098","0.0003","10.4124","0.0003","29.8234","0.0009","90","","90","","90","","3170.48","0.16","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H42 O6 -","- C34 H42 O6 -","- C136 H168 O24 -","4","1","","Cherkasova, Anna V.; Martyanov, Konstantin A.; Rychagova, Elena A.; Kozhanov, Konstantin A.; Cherkasov, Anton V.; Kuropatov, Viacheslav A.","A family of dioxyarylene linked di-o-quinones. Structural dependence on the topology of the linker: a comparative study","New Journal of Chemistry","2024","48","42","18075","18087","10.1039/D4NJ03965C","","","0.71073","MoKα","","0.066","0.0589","","","0.1726","0.1801","","","","","","1.018","","","","has coordinates,has disorder","296634","2024-12-06","20:18:51",""
"7063463","11.8467","0.001","25.0666","0.0013","12.2051","0.0009","90","","113.534","0.009","90","","3322.9","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H44 O6 -","- C38 H44 O6 -","- C152 H176 O24 -","4","1","","Cherkasova, Anna V.; Martyanov, Konstantin A.; Rychagova, Elena A.; Kozhanov, Konstantin A.; Cherkasov, Anton V.; Kuropatov, Viacheslav A.","A family of dioxyarylene linked di-o-quinones. Structural dependence on the topology of the linker: a comparative study","New Journal of Chemistry","2024","48","42","18075","18087","10.1039/D4NJ03965C","","","0.71073","MoKα","","0.1126","0.0759","","","0.1687","0.1884","","","","","","1.069","","","","has coordinates,has disorder","296634","2024-12-06","20:18:51",""
"7063464","15.744","0.0015","4.6282","0.0003","17.3456","0.0016","90","","106.856","0.01","90","","1209.61","0.19","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-4-chloro-2-[[o-tolylimino]methylphenol","","- C14 H12 Cl N O -","- C14 H12 Cl N O -","- C56 H48 Cl4 N4 O4 -","4","1","","Obradović, Radojko; Joksimović, Nenad; Janković, Nenad; Kosanić, Marijana; Matić, Jovana; Milović, Emilija; Bogdanović, Goran A.; Petronijević, Jelena","Discovery of Schiff bases as potent antibacterial and antifungal agents","New Journal of Chemistry","2024","48","40","17492","17499","10.1039/D4NJ02683G","","x-ray","0.71073","MoKα","","0.1012","0.0536","","","0.1245","0.1555","","","","","","1.022","","","","has coordinates","296654","2024-12-06","20:24:40",""
"7063465","4.1889","","4.1889","","5.123","","90","","90","","120","","77.849","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Indium Nickel (1/2)","","- In Ni2 -","- In Ni2 -","- In2 Ni4 -","2","0.0833333","","Liu, Kang; Chi, Xiaowang; Guo, Yan; Hu, Kongqiu; Mei, Lei; Yu, Jipan; Shi, Weiqun","Advancing the understanding of M–O covalency in isostructural M–OSiMe3 (M = Ce, Th, U) complexes","New Journal of Chemistry","2024","48","42","18241","18248","10.1039/D4NJ03128H","","","","","","","","","","","","","","","","","","","","","has coordinates","296636","2024-12-06","20:19:18",""
"7063466","16.9979","0.0006","16.9979","0.0006","23.6994","0.001","90","","90","","120","","5930.1","0.4","150","0.1","150.15","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C33 H54 Ce N4 O Si4 -","- C33 H54 Ce N4 O Si4 -","- C198 H324 Ce6 N24 O6 Si24 -","6","0.333333","","Liu, Kang; Chi, Xiaowang; Guo, Yan; Hu, Kongqiu; Mei, Lei; Yu, Jipan; Shi, Weiqun","Advancing the understanding of M–O covalency in isostructural M–OSiMe3 (M = Ce, Th, U) complexes","New Journal of Chemistry","2024","48","42","18241","18248","10.1039/D4NJ03128H","","","0.71073","MoKα","","0.0368","0.0327","","","0.083","0.0874","","","","","","1.05","","","","has coordinates","296636","2024-12-06","20:19:18",""
"7063467","17.171","0.004","17.171","0.004","23.79","0.008","90","","90","","120","","6075","3","170","2","170","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C33 H54 N4 O Si4 U -","- C33 H54 N4 O Si4 U -","- C198 H324 N24 O6 Si24 U6 -","6","0.333333","","Liu, Kang; Chi, Xiaowang; Guo, Yan; Hu, Kongqiu; Mei, Lei; Yu, Jipan; Shi, Weiqun","Advancing the understanding of M–O covalency in isostructural M–OSiMe3 (M = Ce, Th, U) complexes","New Journal of Chemistry","2024","48","42","18241","18248","10.1039/D4NJ03128H","","","0.71073","MoKα","","0.0212","0.0144","","","0.0326","0.0336","","","","","","0.892","","","","has coordinates","296636","2024-12-06","20:19:18",""
"7063468","17.113","0.004","17.113","0.004","24.012","0.005","90","","90","","120","","6090","2","170","","170","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C33 H54 N4 O Si4 Th -","- C33 H54 N4 O Si4 Th -","- C198 H324 N24 O6 Si24 Th6 -","6","0.333333","","Liu, Kang; Chi, Xiaowang; Guo, Yan; Hu, Kongqiu; Mei, Lei; Yu, Jipan; Shi, Weiqun","Advancing the understanding of M–O covalency in isostructural M–OSiMe3 (M = Ce, Th, U) complexes","New Journal of Chemistry","2024","48","42","18241","18248","10.1039/D4NJ03128H","","","0.71076","MoKα","","0.0149","0.0109","","","0.024","0.0256","","","","","","1.102","","","","has coordinates","296636","2024-12-06","20:19:18",""
"7063469","11.3841","0.0004","16.7664","0.0007","19.1613","0.0007","90","","106.492","0.001","90","","3506.9","0.2","170","","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H45 Ce Cl N4 Si3 -","- C30 H45 Ce Cl N4 Si3 -","- C120 H180 Ce4 Cl4 N16 Si12 -","4","1","","Liu, Kang; Chi, Xiaowang; Guo, Yan; Hu, Kongqiu; Mei, Lei; Yu, Jipan; Shi, Weiqun","Advancing the understanding of M–O covalency in isostructural M–OSiMe3 (M = Ce, Th, U) complexes","New Journal of Chemistry","2024","48","42","18241","18248","10.1039/D4NJ03128H","","","0.71073","MoKα","","0.0164","0.0155","","","0.0386","0.0393","","","","","","1.089","","","","has coordinates","296636","2024-12-06","20:19:18",""
"7063470","10.13","0.004","11.153","0.002","12.193","0.002","117.157","0.002","97.065","0.003","102.71","0.004","1155.4","0.5","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H64 Cu2 Fe O14 P2 -","- C38 H64 Cu2 Fe O14 P2 -","- C38 H64 Cu2 Fe O14 P2 -","1","0.5","","Uvarova, Marina A.; Shmelev, Maxim A.; Bekker, Olga B.; Lutsenko, Irina A.; Nefedov, Sergey E.; Eremenko, Igor L.","Targeted design of heterotrimetallic 1-D coordination polymers based on functionalized metallocenes featuring antibacterial activity","New Journal of Chemistry","2024","48","40","17391","17395","10.1039/D4NJ03598D","","","0.71073","MoKα","","0.0379","0.0295","","","0.0755","0.0796","","","","","","1.041","","","","has coordinates,has disorder","296650","2024-12-06","20:24:03",""
"7063471","11.799","0.003","12.068","0.003","12.269","0.003","69.334","0.003","78.013","0.004","65.678","0.004","1485.5","0.6","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C45 H34 Cu2 Fe Mn4 O20 P2 -","- C45 H34 Cu2 Fe Mn4 O20 P2 -","- C45 H34 Cu2 Fe Mn4 O20 P2 -","1","0.5","","Uvarova, Marina A.; Shmelev, Maxim A.; Bekker, Olga B.; Lutsenko, Irina A.; Nefedov, Sergey E.; Eremenko, Igor L.","Targeted design of heterotrimetallic 1-D coordination polymers based on functionalized metallocenes featuring antibacterial activity","New Journal of Chemistry","2024","48","40","17391","17395","10.1039/D4NJ03598D","","","0.71073","MoKα","","0.2138","0.0987","","","0.2536","0.3344","","","","","","0.959","","","","has coordinates","296650","2024-12-06","20:24:04",""
"7063472","11.261","0.004","12.185","0.005","12.516","0.005","68.836","0.006","78.965","0.007","70.326","0.006","1503.3","1","150","2","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H43 Fe Mn4 Ni2 O26 P2 -","- C54 H43 Fe Mn4 Ni2 O26 P2 -","- C54 H43 Fe Mn4 Ni2 O26 P2 -","1","0.5","","Uvarova, Marina A.; Shmelev, Maxim A.; Bekker, Olga B.; Lutsenko, Irina A.; Nefedov, Sergey E.; Eremenko, Igor L.","Targeted design of heterotrimetallic 1-D coordination polymers based on functionalized metallocenes featuring antibacterial activity","New Journal of Chemistry","2024","48","40","17391","17395","10.1039/D4NJ03598D","","","0.71073","MoKα","","0.1456","0.0687","","","0.1427","0.1771","","","","","","0.96","","","","has coordinates,has disorder","296650","2024-12-06","20:24:04",""
"7063473","11.2271","0.0011","12.173","0.0012","12.4586","0.0012","68.883","0.002","78.97","0.002","70.241","0.002","1490.1","0.3","150","2","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H40 Co2 Fe Mn4 O26 P2 -","- C54 H40 Co2 Fe Mn4 O26 P2 -","- C54 H40 Co2 Fe Mn4 O26 P2 -","1","0.5","","Uvarova, Marina A.; Shmelev, Maxim A.; Bekker, Olga B.; Lutsenko, Irina A.; Nefedov, Sergey E.; Eremenko, Igor L.","Targeted design of heterotrimetallic 1-D coordination polymers based on functionalized metallocenes featuring antibacterial activity","New Journal of Chemistry","2024","48","40","17391","17395","10.1039/D4NJ03598D","","","0.71073","MoKα","","0.0942","0.052","","","0.1113","0.1299","","","","","","1.014","","","","has coordinates,has disorder","296650","2024-12-06","20:24:04",""
"7063474","7.8894","0.0002","11.3473","0.0002","14.4942","0.0002","93.723","0.001","92.398","0.002","101.789","0.002","1265.5","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H22 Ce N5 Ni O14 -","- C19 H22 Ce N5 Ni O14 -","- C38 H44 Ce2 N10 Ni2 O28 -","2","1","","Krešáková, Lenka; Litecká, Miroslava; Oyarzabal, Itziar; Titiš, Ján; Červeňáková, Michaela; Hillard, Elizabeth A.; Robert, Jerome; Černák, Juraj","Two Ni/Ce complexes based on bicompartmental ligands with field supported slow magnetic relaxation","New Journal of Chemistry","2024","48","41","17750","17760","10.1039/D4NJ03545C","","","1.54184","CuKα","","0.0452","0.0444","","","0.123","0.1237","","","","","","1.111","","","","has coordinates,has disorder","296630","2024-12-06","20:17:54",""
"7063475","8.8746","0.0001","16.048","0.0002","10.0771","0.0001","90","","91.844","0.001","90","","1434.43","0.03","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H28 Ce N5 Ni O15 -","- C21 H28 Ce N5 Ni O15 -","- C42 H56 Ce2 N10 Ni2 O30 -","2","1","","Krešáková, Lenka; Litecká, Miroslava; Oyarzabal, Itziar; Titiš, Ján; Červeňáková, Michaela; Hillard, Elizabeth A.; Robert, Jerome; Černák, Juraj","Two Ni/Ce complexes based on bicompartmental ligands with field supported slow magnetic relaxation","New Journal of Chemistry","2024","48","41","17750","17760","10.1039/D4NJ03545C","","","1.54184","CuKα","","0.0622","0.0621","","","0.1577","0.158","","","","","","1.028","","","","has coordinates","296630","2024-12-06","20:17:55",""
"7063476","6.3057","0.0002","9.752","0.0003","13.073","0.0004","90","","94.8","0.002","90","","801.08","0.04","198","","198","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H4 N8 O2 -","- C5 H4 N8 O2 -","- C20 H16 N32 O8 -","4","1","","Jin, Gan; Lei, Caijin; Cheng, Guangbin; Yang, Hongwei","Synthesis of novel insensitive heat-resistant explosives based on a fused-tricyclic skeleton","New Journal of Chemistry","2024","48","42","18120","18127","10.1039/D4NJ03802A","","","1.54178","CuKα","","0.0431","0.0314","","","0.0771","0.0825","","","","","","1.078","","","","has coordinates,has disorder","296638","2024-12-06","20:20:07",""
"7063477","14.5643","0.0012","9.362","0.0008","15.0278","0.0011","90","","117.847","0.003","90","","1811.8","0.3","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","123","","- C6 H6 N8 O2 -","- C6 H6 N8 O2 -","- C48 H48 N64 O16 -","8","2","","Jin, Gan; Lei, Caijin; Cheng, Guangbin; Yang, Hongwei","Synthesis of novel insensitive heat-resistant explosives based on a fused-tricyclic skeleton","New Journal of Chemistry","2024","48","42","18120","18127","10.1039/D4NJ03802A","","","0.71073","MoKα","","0.1051","0.0556","","","0.1333","0.1605","","","","","","1.042","","","","has coordinates,has disorder","296638","2024-12-06","20:20:07",""
"7063478","6.7579","0.0003","8.4422","0.0004","16.3524","0.0006","90","","90","","90","","932.93","0.07","223","","223","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H7 N7 O2 -","- C7 H7 N7 O2 -","- C28 H28 N28 O8 -","4","1","","Jin, Gan; Lei, Caijin; Cheng, Guangbin; Yang, Hongwei","Synthesis of novel insensitive heat-resistant explosives based on a fused-tricyclic skeleton","New Journal of Chemistry","2024","48","42","18120","18127","10.1039/D4NJ03802A","","","1.54178","CuKα","","0.0442","0.0378","","","0.0986","0.1013","","","","","","1.049","","","","has coordinates","296638","2024-12-06","20:20:07",""
"7063479","6.3809","0.0006","10.3716","0.0008","12.1362","0.001","90","","91.201","0.006","90","","803","0.12","233","","233","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 N7 O2 -","- C6 H5 N7 O2 -","- C24 H20 N28 O8 -","4","1","","Jin, Gan; Lei, Caijin; Cheng, Guangbin; Yang, Hongwei","Synthesis of novel insensitive heat-resistant explosives based on a fused-tricyclic skeleton","New Journal of Chemistry","2024","48","42","18120","18127","10.1039/D4NJ03802A","","","1.54178","CuKα","","0.0789","0.0575","","","0.1583","0.1739","","","","","","1.039","","","","has coordinates","296638","2024-12-06","20:20:07",""
"7063480","3.5414","0.0001","30.1434","0.0003","8.6469","0.0001","90","","94.605","0.001","90","","920.08","0.03","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H7 N6 Na O7 -","- C2 H7 N6 Na O7 -","- C8 H28 N24 Na4 O28 -","4","1","","Guo, Jinkun; Huang, Shiliang; Wei, Liyuan; Lang, Qing; Hao, Wenjia; Xu, Yuangang; Liu, Yu; Lu, Ming","Dinitromethyltetrazole (DNMT)-based energetic coordination polymers (ECPs) as lead-free primary explosives and laser initiators","New Journal of Chemistry","2024","48","41","18014","18021","10.1039/D4NJ03134B","","","1.54184","CuKα","","0.0427","0.0393","","","0.1094","0.1126","","","","","","1.059","","","","has coordinates","296629","2024-12-06","20:17:45",""
"7063481","4.8171","0.0001","9.132","0.0002","7.6157","0.0001","90","","92.019","0.002","90","","334.805","0.011","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C2 H K N6 O4 -","- C2 H K N6 O4 -","- C4 H2 K2 N12 O8 -","2","1","","Guo, Jinkun; Huang, Shiliang; Wei, Liyuan; Lang, Qing; Hao, Wenjia; Xu, Yuangang; Liu, Yu; Lu, Ming","Dinitromethyltetrazole (DNMT)-based energetic coordination polymers (ECPs) as lead-free primary explosives and laser initiators","New Journal of Chemistry","2024","48","41","18014","18021","10.1039/D4NJ03134B","","","1.54178","CuKα","","0.0303","0.03","","","0.0779","0.0781","","","","","","1.068","","","","has coordinates","296629","2024-12-06","20:17:45",""
"7063482","10.05","0.0002","9.42575","0.00016","9.12606","0.00018","90","","90","","90","","864.5","0.03","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C2 N6 O4 Rb2 -","- C2 N6 O4 Rb2 -","- C8 N24 O16 Rb8 -","4","0.5","","Guo, Jinkun; Huang, Shiliang; Wei, Liyuan; Lang, Qing; Hao, Wenjia; Xu, Yuangang; Liu, Yu; Lu, Ming","Dinitromethyltetrazole (DNMT)-based energetic coordination polymers (ECPs) as lead-free primary explosives and laser initiators","New Journal of Chemistry","2024","48","41","18014","18021","10.1039/D4NJ03134B","","","1.54184","CuKα","","0.0285","0.0278","","","0.0768","0.0774","","","","","","1.081","","","","has coordinates","296629","2024-12-06","20:17:45",""
"7063483","6.2901","0.0002","7.7","0.0002","12.2839","0.0002","90","","90","","90","","594.96","0.03","295","2","295","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C2 H5 N5 O4 -","- C2 H5 N5 O4 -","- C8 H20 N20 O16 -","4","0.5","","Guo, Jinkun; Huang, Shiliang; Wei, Liyuan; Lang, Qing; Hao, Wenjia; Xu, Yuangang; Liu, Yu; Lu, Ming","Dinitromethyltetrazole (DNMT)-based energetic coordination polymers (ECPs) as lead-free primary explosives and laser initiators","New Journal of Chemistry","2024","48","41","18014","18021","10.1039/D4NJ03134B","","","1.54178","CuKα","","0.0415","0.0393","","","0.1199","0.1227","","","","","","1.132","","","","has coordinates","296629","2024-12-06","20:17:45",""
"7063484","10.3881","0.0003","15.7906","0.0004","5.0603","0.0001","90","","90","","90","","830.06","0.04","295","2","295","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C2 H6 N6 O6 -","- C2 H6.0002 N6 O6 -","- C8 H24.0008 N24 O24 -","4","0.5","","Guo, Jinkun; Huang, Shiliang; Wei, Liyuan; Lang, Qing; Hao, Wenjia; Xu, Yuangang; Liu, Yu; Lu, Ming","Dinitromethyltetrazole (DNMT)-based energetic coordination polymers (ECPs) as lead-free primary explosives and laser initiators","New Journal of Chemistry","2024","48","41","18014","18021","10.1039/D4NJ03134B","","","1.54178","CuKα","","0.0543","0.0526","","","0.1471","0.1496","","","","","","1.066","","","","has coordinates","296629","2024-12-06","20:17:45",""
"7063485","4.92","0.0003","8.99","0.0006","9.6109","0.0005","65.39","0.006","84.667","0.004","75.517","0.005","374.17","0.04","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C2 H Cs N6 O4 -","- C2 H Cs N6 O4 -","- C4 H2 Cs2 N12 O8 -","2","1","","Guo, Jinkun; Huang, Shiliang; Wei, Liyuan; Lang, Qing; Hao, Wenjia; Xu, Yuangang; Liu, Yu; Lu, Ming","Dinitromethyltetrazole (DNMT)-based energetic coordination polymers (ECPs) as lead-free primary explosives and laser initiators","New Journal of Chemistry","2024","48","41","18014","18021","10.1039/D4NJ03134B","","","1.54178","CuKα","","0.0844","0.0439","","","0.1207","0.163","","","","","","1.117","","","","has coordinates","296629","2024-12-06","20:17:45",""
"7063486","8.8222","0.001","13.4017","0.0015","15.0898","0.0018","102.111","0.004","95.984","0.004","102.789","0.004","1679.7","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H28 Cl3 N6 O3 Rh -","- C37 H28 Cl3 N6 O3 Rh -","- C74 H56 Cl6 N12 O6 Rh2 -","2","1","","Bakaev, I. V.; Komlyagina, V. I.; Ulantikov, A. A.; Romashev, N. F.; Gushchin, A. L.","Rhodium complexes bearing 2-(pyridin-2-yl)hydrazino acenaphthene-1-one: synthesis, structure and electrochemical studies","New Journal of Chemistry","2024","48","43","18456","18464","10.1039/D4NJ03595J","","","0.71073","MoKα","","0.0829","0.0515","","","0.102","0.1177","","","","","","1.006","","","","has coordinates","296632","2024-12-06","20:18:26",""
"7063487","29.0387","0.0018","10.4088","0.0006","11.1178","0.0005","90","","90","","90","","3360.4","0.3","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H46 Cl3 N4 O Rh -","- C33 H46 Cl3 N4 O Rh -","- C132 H184 Cl12 N16 O4 Rh4 -","4","1","","Bakaev, I. V.; Komlyagina, V. I.; Ulantikov, A. A.; Romashev, N. F.; Gushchin, A. L.","Rhodium complexes bearing 2-(pyridin-2-yl)hydrazino acenaphthene-1-one: synthesis, structure and electrochemical studies","New Journal of Chemistry","2024","48","43","18456","18464","10.1039/D4NJ03595J","","","0.71073","MoKα","","0.0711","0.0441","","","0.0898","0.1003","","","","","","0.999","","","","has coordinates","296632","2024-12-06","20:18:26",""
"7063488","8.6875","0.0005","11.9709","0.0006","13.0563","0.0008","90","","108.676","0.002","90","","1286.32","0.13","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Ba4 Cu Fe S6 -","- Ba4 Cu Fe S6 -","- Ba16 Cu4 Fe4 S24 -","4","1","","Rout, Sambit S. S.; Panigrahi, Gopabandhu; Yadav, Sweta; Ramanujachary, K. V.; Prakash, Jai","Ba4FeCuS6: a new mixed metal sulfide with a pseudo-zero-dimensional structure containing rare CuS3 units","New Journal of Chemistry","2024","48","42","18177","18186","10.1039/D4NJ03944K","","","0.71073","MoKα","","0.0617","0.0457","","","0.0995","0.1029","","","","","","1.158","","","","has coordinates","296635","2024-12-06","20:18:58",""
"7063489","11.3112","0.0009","6.6485","0.0005","18.4942","0.0014","90","","104.164","0.008","90","","1348.53","0.19","297.3","0.9","297.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cu N3 O3 -","- C15 H13 Cu N3 O3 -","- C60 H52 Cu4 N12 O12 -","4","1","","Panda, Subhashree S.; Kumari, Supriya; Dixit, Manjusha; Sharma, Nagendra K.","Synthesis and DNA cleavage studies of rationally designed metallopeptides from N-salicyl-AA-picolamide (SAP) and Cu(ii) ions","New Journal of Chemistry","2024","48","45","19188","19194","10.1039/D4NJ03573A","","","0.71073","MoKα","","0.0381","0.0319","","","0.0783","0.0814","","","","","","1.0286","","","","has coordinates","296655","2024-12-06","20:25:14",""
"7063490","7.3019","0.0001","13.83","0.0002","16.2105","0.0002","90","","94.256","0.001","90","","1632.51","0.04","296.1","0.1","296.1","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 Cu N3 O3 -","- C18 H19 Cu N3 O3 -","- C72 H76 Cu4 N12 O12 -","4","1","","Panda, Subhashree S.; Kumari, Supriya; Dixit, Manjusha; Sharma, Nagendra K.","Synthesis and DNA cleavage studies of rationally designed metallopeptides from N-salicyl-AA-picolamide (SAP) and Cu(ii) ions","New Journal of Chemistry","2024","48","45","19188","19194","10.1039/D4NJ03573A","","","1.54184","CuKα","","0.0368","0.0341","","","0.0981","0.1006","","","","","","1.081","","","","has coordinates","296655","2024-12-06","20:25:14",""
"7063491","7.2629","0.0002","10.8594","0.0004","11.348","0.0004","114.939","0.004","104.016","0.003","96.535","0.003","763.32","0.06","298.47","0.11","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 Cu N3 O3 -","- C16 H15 Cu N3 O3 -","- C32 H30 Cu2 N6 O6 -","2","1","","Panda, Subhashree S.; Kumari, Supriya; Dixit, Manjusha; Sharma, Nagendra K.","Synthesis and DNA cleavage studies of rationally designed metallopeptides from N-salicyl-AA-picolamide (SAP) and Cu(ii) ions","New Journal of Chemistry","2024","48","45","19188","19194","10.1039/D4NJ03573A","","","0.71073","MoKα","","0.0273","0.0251","","","0.0642","0.0654","","","","","","1.0405","","","","has coordinates","296655","2024-12-06","20:25:14",""
"7063492","5.1877","0.0007","9.1943","0.0014","12.1179","0.0017","97.507","0.012","92.846","0.012","101.614","0.012","559.59","0.14","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 Cu N2 O7 -","- C9 H10 Cu N2 O7 -","- C18 H20 Cu2 N4 O14 -","2","1","","López-Gastélum, Karla-Alejandra; Chávez-Urías, Iván-Fernando; López-González, Luis E.; García, Juventino J.; Flores-Alamo, Marcos; Morales-Morales, David; Galindo, Jordi R.; Sugich-Miranda, Rocío; Medrano Valenzuela, Felipe; Velázquez-Contreras, Enrique F.; Rocha-Alonzo, Fernando","Synthesis, structural analysis, DFT study, and catalytic performance of a glycine-Schiff base binuclear copper(ii) complex","New Journal of Chemistry","2024","48","43","18569","18579","10.1039/D4NJ03659J","","","0.71073","MoKα","","0.0508","0.0398","","","0.0845","0.0934","","","","","","1.079","","","","has coordinates","296633","2024-12-06","20:18:32",""
"7063493","15.202","0.003","22.359","0.004","27.45","0.005","90","","99.91","0.03","90","","9191","3","273","2","273","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C86 H115 Cl Co2 K N3 O8 P3 -","- C86 H115 Cl Co2 K N3 O8 P3 -","- C344 H460 Cl4 Co8 K4 N12 O32 P12 -","4","1","","Du, Jun; Shi, Zhi-Qiang; Wang, Cong; Cui, Peng","Ligand redistribution reactions for the synthesis of heterobimetallic rare-earth metal complexes of Co(ii) and Fe(ii)","New Journal of Chemistry","2024","48","44","18695","18699","10.1039/D4NJ03582H","","x-ray","0.71073","MoKα","","0.0946","0.0738","","","0.2248","0.2483","","","","","","1.075","","","","has coordinates,has disorder","296626","2024-12-06","20:17:02",""
"7063494","21.2208","0.001","21.2208","0.001","20.8628","0.0012","90","","90","","120","","8136.3","0.7","273","2","273","2","","","","","","","","8","P -3","-P 3","147","","","","- C108 H140 Cl6 Co2 N4 O5 P4 Y2 -","- C108 H140 Cl6 Co2 N4 O5 P4 Y2 -","- C324 H420 Cl18 Co6 N12 O15 P12 Y6 -","3","0.5","","Du, Jun; Shi, Zhi-Qiang; Wang, Cong; Cui, Peng","Ligand redistribution reactions for the synthesis of heterobimetallic rare-earth metal complexes of Co(ii) and Fe(ii)","New Journal of Chemistry","2024","48","44","18695","18699","10.1039/D4NJ03582H","","x-ray","0.71073","MoKα","","0.0797","0.0519","","","0.1328","0.161","","","","","","1.145","","","","has coordinates,has disorder","296626","2024-12-06","20:17:02",""
"7063495","10.3337","0.0004","12.37","0.0006","24.6238","0.0012","94.167","0.002","97.369","0.002","92.465","0.002","3109","0.2","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H83 Cl Fe2 N3 O P3 -","- C70 H83 Cl Fe2 N3 O P3 -","- C140 H166 Cl2 Fe4 N6 O2 P6 -","2","1","","Du, Jun; Shi, Zhi-Qiang; Wang, Cong; Cui, Peng","Ligand redistribution reactions for the synthesis of heterobimetallic rare-earth metal complexes of Co(ii) and Fe(ii)","New Journal of Chemistry","2024","48","44","18695","18699","10.1039/D4NJ03582H","","x-ray","0.71073","MoKα","","0.1207","0.0766","","","0.1484","0.1753","","","","","","1.062","","","","has coordinates,has disorder","296626","2024-12-06","20:17:02",""
"7063496","17.77","0.002","12.4984","0.0012","33.75","0.004","90","","96.105","0.003","90","","7453.2","1.4","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C76 H82 Cl Fe2 N4 O3 P3 -","- C76 H82 Cl Fe2 N4 O3 P3 -","- C304 H328 Cl4 Fe8 N16 O12 P12 -","4","1","","Du, Jun; Shi, Zhi-Qiang; Wang, Cong; Cui, Peng","Ligand redistribution reactions for the synthesis of heterobimetallic rare-earth metal complexes of Co(ii) and Fe(ii)","New Journal of Chemistry","2024","48","44","18695","18699","10.1039/D4NJ03582H","","x-ray","0.71073","MoKα","","0.128","0.0737","","","0.1966","0.2369","","","","","","1.079","","","","has coordinates,has disorder","296626","2024-12-06","20:17:02",""
"7063497","14.527","0.0003","11.6368","0.0002","20.4175","0.0003","90","","93.104","0.001","90","","3446.47","0.11","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H38 N5 O13 Tb -","- C32 H38 N5 O13 Tb -","- C128 H152 N20 O52 Tb4 -","4","0.5","","Smirnova, Ksenia S.; Sanzhenakova, Elizaveta A.; Eltsov, Ilia V.; Pozdnyakov, Ivan P.; Russkikh, Alena A.; Dotsenko, Victor V.; Lider, Elizaveta V.","Photoluminescent lanthanide(iii) coordination polymers based on 2-{[(4-methylphenyl)amino]methylene}-5,5-dimethylcyclohexane-1,3-dione","New Journal of Chemistry","2024","48","43","18536","18545","10.1039/D4NJ03444A","","","0.71073","MoKα","","0.0318","0.0273","","","0.0567","0.0588","","","","","","1.047","","","","has coordinates","296631","2024-12-06","20:18:14",""
"7063498","14.5613","0.0005","11.6777","0.0006","20.3665","0.0008","90","","93.018","0.002","90","","3458.4","0.3","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H38 Eu N5 O13 -","- C32 H38 Eu N5 O13 -","- C128 H152 Eu4 N20 O52 -","4","0.5","","Smirnova, Ksenia S.; Sanzhenakova, Elizaveta A.; Eltsov, Ilia V.; Pozdnyakov, Ivan P.; Russkikh, Alena A.; Dotsenko, Victor V.; Lider, Elizaveta V.","Photoluminescent lanthanide(iii) coordination polymers based on 2-{[(4-methylphenyl)amino]methylene}-5,5-dimethylcyclohexane-1,3-dione","New Journal of Chemistry","2024","48","43","18536","18545","10.1039/D4NJ03444A","","","0.71073","MoKα","","0.0321","0.0275","","","0.0522","0.0546","","","","","","1.042","","","","has coordinates","296631","2024-12-06","20:18:16",""
"7063499","14.4892","0.0006","11.6159","0.0004","20.4562","0.0008","90","","93.116","0.002","90","","3437.8","0.2","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H38 Dy N5 O13 -","- C32 H38 Dy N5 O13 -","- C128 H152 Dy4 N20 O52 -","4","0.5","","Smirnova, Ksenia S.; Sanzhenakova, Elizaveta A.; Eltsov, Ilia V.; Pozdnyakov, Ivan P.; Russkikh, Alena A.; Dotsenko, Victor V.; Lider, Elizaveta V.","Photoluminescent lanthanide(iii) coordination polymers based on 2-{[(4-methylphenyl)amino]methylene}-5,5-dimethylcyclohexane-1,3-dione","New Journal of Chemistry","2024","48","43","18536","18545","10.1039/D4NJ03444A","","","0.71073","MoKα","","0.033","0.0276","","","0.0525","0.0539","","","","","","1.044","","","","has coordinates","296631","2024-12-06","20:18:16",""
"7063500","14.6306","0.0004","11.6855","0.0003","20.3367","0.0005","90","","93.055","0.001","90","","3471.94","0.16","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H38 N5 O13 Sm -","- C32 H38 N5 O13 Sm -","- C128 H152 N20 O52 Sm4 -","4","0.5","","Smirnova, Ksenia S.; Sanzhenakova, Elizaveta A.; Eltsov, Ilia V.; Pozdnyakov, Ivan P.; Russkikh, Alena A.; Dotsenko, Victor V.; Lider, Elizaveta V.","Photoluminescent lanthanide(iii) coordination polymers based on 2-{[(4-methylphenyl)amino]methylene}-5,5-dimethylcyclohexane-1,3-dione","New Journal of Chemistry","2024","48","43","18536","18545","10.1039/D4NJ03444A","","","0.71073","MoKα","","0.0228","0.0204","","","0.0466","0.0475","","","","","","1.041","","","","has coordinates","296631","2024-12-06","20:18:16",""
"7063501","11.8139","0.001","5.8067","0.0004","20.3464","0.0013","90","","100.245","0.004","90","","1373.5","0.17","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C64 H76 N4 O8 -","4","1","","Smirnova, Ksenia S.; Sanzhenakova, Elizaveta A.; Eltsov, Ilia V.; Pozdnyakov, Ivan P.; Russkikh, Alena A.; Dotsenko, Victor V.; Lider, Elizaveta V.","Photoluminescent lanthanide(iii) coordination polymers based on 2-{[(4-methylphenyl)amino]methylene}-5,5-dimethylcyclohexane-1,3-dione","New Journal of Chemistry","2024","48","43","18536","18545","10.1039/D4NJ03444A","","","0.71073","MoKα","","0.095","0.058","","","0.1355","0.1602","","","","","","1.058","","","","has coordinates","296631","2024-12-06","20:18:16",""
"7063502","14.5319","0.0005","11.6177","0.0005","20.4408","0.0007","90","","93.279","0.003","90","","3445.3","0.2","130.01","0.1","130.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H38 Gd N5 O13 -","- C32 H38 Gd N5 O13 -","- C128 H152 Gd4 N20 O52 -","4","0.5","","Smirnova, Ksenia S.; Sanzhenakova, Elizaveta A.; Eltsov, Ilia V.; Pozdnyakov, Ivan P.; Russkikh, Alena A.; Dotsenko, Victor V.; Lider, Elizaveta V.","Photoluminescent lanthanide(iii) coordination polymers based on 2-{[(4-methylphenyl)amino]methylene}-5,5-dimethylcyclohexane-1,3-dione","New Journal of Chemistry","2024","48","43","18536","18545","10.1039/D4NJ03444A","","","0.71073","MoKα","","0.0271","0.0251","","","0.0545","0.0552","","","","","","1.089","","","","has coordinates","296631","2024-12-06","20:18:16",""
"7063503","9.9765","0.0003","41.7796","0.0016","13.3216","0.0005","90","","107.303","0.001","90","","5301.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C65 H49 N5 O4 Zn -","- C65 H49 N5 O4 Zn -","- C260 H196 N20 O16 Zn4 -","4","1","","Arif, Waseem; Kumar, Vipin; Chetti, Prabhakar; Kumar, Ravi","β-Methoxyphenyl substituted porphyrins: synthesis, characterization and comprehensive spectral, structural, electrochemical and theoretical analysis","New Journal of Chemistry","2024","48","44","18848","18864","10.1039/D4NJ03904A","","","0.71073","MoKα","","0.1118","0.0892","","","0.1759","0.1851","","","","","","1.23","","","","has coordinates,has disorder","296625","2024-12-06","20:16:38",""
"7063504","13.2014","0.0007","13.3397","0.0007","14.8686","0.0007","65.629","0.002","76.969","0.002","89.43","0.002","2313.5","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H44 Cu N4 O4 -","- C60 H44 Cu N4 O4 -","- C120 H88 Cu2 N8 O8 -","2","1","","Arif, Waseem; Kumar, Vipin; Chetti, Prabhakar; Kumar, Ravi","β-Methoxyphenyl substituted porphyrins: synthesis, characterization and comprehensive spectral, structural, electrochemical and theoretical analysis","New Journal of Chemistry","2024","48","44","18848","18864","10.1039/D4NJ03904A","","","0.71073","MoKα","","0.0579","0.0415","","","0.0946","0.1037","","","","","","1.082","","","","has coordinates","296625","2024-12-06","20:16:38",""
"7063505","25.4032","0.0011","10.7091","0.0005","36.4314","0.0015","90","","109.79","0.002","90","","9325.7","0.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C58 H42 N4 O2 -","- C58 H42 N4 O2 -","- C464 H336 N32 O16 -","8","1","","Arif, Waseem; Kumar, Vipin; Chetti, Prabhakar; Kumar, Ravi","β-Methoxyphenyl substituted porphyrins: synthesis, characterization and comprehensive spectral, structural, electrochemical and theoretical analysis","New Journal of Chemistry","2024","48","44","18848","18864","10.1039/D4NJ03904A","","","1.54178","CuKα","","0.1373","0.0721","","","0.1922","0.2726","","","","","","1.052","","","","has coordinates","296625","2024-12-06","20:16:38",""
"7063506","9.147","0.002","13.35","0.003","16.012","0.004","90","","91.037","0.008","90","","1954.9","0.8","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H36 N4 O2 P2 -","- C48 H36 N4 O2 P2 -","- C96 H72 N8 O4 P4 -","2","0.5","","Pandey, Ankit; Balakrishna, Maravanji S.","Catalytic utility of a bimetallic (pincer) PNN-based nickel complex in the synthesis of quinolines and α-alkylation of ketones","New Journal of Chemistry","2024","48","46","19549","19560","10.1039/D4NJ04250F","","","0.71073","MoKα","","0.0701","0.0541","","","0.1341","0.1411","","","","","","1.126","","","","has coordinates","296642","2024-12-06","20:21:01",""
"7063507","7.4221","0.0006","9.7208","0.0008","15.3202","0.0014","75.512","0.003","84.689","0.003","82.27","0.003","1058.46","0.16","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Br2 N4 O2 -","- C24 H16 Br2 N4 O2 -","- C48 H32 Br4 N8 O4 -","2","1","","Pandey, Ankit; Balakrishna, Maravanji S.","Catalytic utility of a bimetallic (pincer) PNN-based nickel complex in the synthesis of quinolines and α-alkylation of ketones","New Journal of Chemistry","2024","48","46","19549","19560","10.1039/D4NJ04250F","","","0.71073","MoKα","","0.0679","0.0504","","","0.1287","0.1386","","","","","","1.036","","","","has coordinates","296642","2024-12-06","20:21:01",""
"7063508","17.2416","0.0006","16.0245","0.0004","39.9762","0.001","90","","90","","90","","11044.9","0.5","111.15","","111.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C48 H34 Cl2 N4 Ni2 O2 P2 -","- C48 H34 Cl2 N4 Ni2 O2 P2 -","- C384 H272 Cl16 N32 Ni16 O16 P16 -","8","1","","Pandey, Ankit; Balakrishna, Maravanji S.","Catalytic utility of a bimetallic (pincer) PNN-based nickel complex in the synthesis of quinolines and α-alkylation of ketones","New Journal of Chemistry","2024","48","46","19549","19560","10.1039/D4NJ04250F","","","0.71073","MoKα","","0.0539","0.0363","","","0.0788","0.0863","","","","","","1.041","","","","has coordinates","296642","2024-12-06","20:21:01",""
"7063509","14.9657","0.0003","16.2514","0.0004","27.9021","0.0006","90","","103.418","0.0008","90","","6600.9","0.3","120","","120","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C68.5 H61.5 F12 N8.5 O3.5 Pt2 S2 -","- C68.5 H61.5 F12 N8.5 O3.5 Pt2 S2 -","- C274 H246 F48 N34 O14 Pt8 S8 -","4","2","","Salthouse, Rebecca J.; Dikova, Yana M.; Etherington, Marc K.; Williams, J. A. Gareth","Dinuclear platinum(ii) complexes featuring rigidly linked Pt(NCN)X units: the effect of X = SCN− in favouring low-energy, excimer-like luminescence","New Journal of Chemistry","2024","48","44","18865","18872","10.1039/D4NJ03357D","","x-ray","0.71073","MoKα","","0.0832","0.0646","","","0.1541","0.1665","","","","","","1.031","","","","has coordinates,has disorder","296624","2024-12-06","20:16:15",""
"7063510","27.1448","0.0013","9.4225","0.0004","27.3977","0.0012","90","","92.154","0.002","90","","7002.6","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H41 Cl3 Ni O4 P2 -","- C32 H41 Cl3 Ni O4 P2 -","- C256 H328 Cl24 Ni8 O32 P16 -","8","2","","López-Robledo, Luis E; Ortiz-Fuentes, Evelin E; Rufino-Felipe, Ernesto; Serrano-García, Juan Sebastián; Arenaza-Corona, Antonino; Hernandez Ortega, Simon; Valdes, Hugo; Lucero, González-Sebastián; Reyes-Marquez, Viviana; Morales-Morales, David","Naphthyl and Biphenyl para-substituted POCOP-Ni(II) Pincer Complexes as Efficient Catalysts in C-S Cross-Coupling Reactions","New Journal of Chemistry","2024","","","","","10.1039/D4NJ03776F","","","0.71073","MoKα","","0.0701","0.0591","","","0.1273","0.1326","","","","","","1.164","","","","has coordinates","295708","2024-11-01","01:19:27",""
"7063511","9.136","0.0004","29.4452","0.0016","12.7283","0.0007","90","","94.484","0.002","90","","3413.6","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H29 Cl Ni O4 P2 -","- C41 H29 Cl Ni O4 P2 -","- C164 H116 Cl4 Ni4 O16 P8 -","4","1","","López-Robledo, Luis E; Ortiz-Fuentes, Evelin E; Rufino-Felipe, Ernesto; Serrano-García, Juan Sebastián; Arenaza-Corona, Antonino; Hernandez Ortega, Simon; Valdes, Hugo; Lucero, González-Sebastián; Reyes-Marquez, Viviana; Morales-Morales, David","Naphthyl and Biphenyl para-substituted POCOP-Ni(II) Pincer Complexes as Efficient Catalysts in C-S Cross-Coupling Reactions","New Journal of Chemistry","2024","","","","","10.1039/D4NJ03776F","","","0.71073","MoKα","","0.0561","0.0436","","","0.0883","0.0948","","","","","","1.116","","","","has coordinates","295708","2024-11-01","01:19:28",""
"7063512","8.0438","0.0002","28.5592","0.001","16.4261","0.0005","90","","102.766","0.001","90","","3680.2","0.19","199","2","199","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C73 H98 Cl2 Ni2 O8 P4 -","- C73 H98 Cl2 Ni2 O8 P4 -","- C146 H196 Cl4 Ni4 O16 P8 -","2","0.5","","López-Robledo, Luis E; Ortiz-Fuentes, Evelin E; Rufino-Felipe, Ernesto; Serrano-García, Juan Sebastián; Arenaza-Corona, Antonino; Hernandez Ortega, Simon; Valdes, Hugo; Lucero, González-Sebastián; Reyes-Marquez, Viviana; Morales-Morales, David","Naphthyl and Biphenyl para-substituted POCOP-Ni(II) Pincer Complexes as Efficient Catalysts in C-S Cross-Coupling Reactions","New Journal of Chemistry","2024","","","","","10.1039/D4NJ03776F","","","0.71073","MoKα","","0.0768","0.0502","","","0.0971","0.1089","","","","","","1.068","","","","has coordinates,has disorder","295708","2024-11-01","01:19:28",""
"7063513","18.918","0.0002","5.9168","0.0001","25.4906","0.0002","90","","92.35","0.0008","90","","2850.87","0.06","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","SCFCMPYR","","- C18 H14 Fe N2 O2 -","- C18 H14 Fe N2 O2 -","- C144 H112 Fe8 N16 O16 -","8","1","","Halder, Biplob; Mitra, Amit; Mishra, Ananya; Naik, Lincoln; Sarkar, Nandini; Dhiman, Rohan; Chatterjee, Saurav","Solid supported synthesis of pyrazinyl and oxindolyl tethered ferrocenyl conjugates with unusual rotational flexibility as promising inhibitors of HEWL amyloid fibrillation and cytotoxicity","New Journal of Chemistry","2024","48","47","19876","19899","10.1039/D4NJ04116J","","","0.4275","synchrotron","","0.0402","0.0369","","","0.0926","0.0945","","","","","","1.074","","","","has coordinates","296647","2024-12-06","20:23:21",""
"7063514","30.1975","0.0011","6.035","0.0003","11.4035","0.0005","90","","90","","90","","2078.2","0.16","298","","298","","","","","","","","","4","P n a 21","P 2c -2n","33","","SCFCDIAP","","- C28 H22 Fe O2 -","- C28 H22 Fe O2 -","- C112 H88 Fe4 O8 -","4","1","","Halder, Biplob; Mitra, Amit; Mishra, Ananya; Naik, Lincoln; Sarkar, Nandini; Dhiman, Rohan; Chatterjee, Saurav","Solid supported synthesis of pyrazinyl and oxindolyl tethered ferrocenyl conjugates with unusual rotational flexibility as promising inhibitors of HEWL amyloid fibrillation and cytotoxicity","New Journal of Chemistry","2024","48","47","19876","19899","10.1039/D4NJ04116J","","x-ray","0.71073","MoKα","","0.0489","0.0342","","","0.0621","0.0673","","","","","","1.049","","","","has coordinates","296647","2024-12-06","20:23:22",""
"7063515","12.4065","0.0005","11.8508","0.0005","13.1663","0.0007","90","","90","","90","","1935.8","0.15","278","","278","","","","","","","","","5","P c a 21","P 2c -2ac","29","","FCDIPYR","","- C24 H18 Fe N4 O2 -","- C24 H18 Fe N4 O2 -","- C96 H72 Fe4 N16 O8 -","4","1","","Halder, Biplob; Mitra, Amit; Mishra, Ananya; Naik, Lincoln; Sarkar, Nandini; Dhiman, Rohan; Chatterjee, Saurav","Solid supported synthesis of pyrazinyl and oxindolyl tethered ferrocenyl conjugates with unusual rotational flexibility as promising inhibitors of HEWL amyloid fibrillation and cytotoxicity","New Journal of Chemistry","2024","48","47","19876","19899","10.1039/D4NJ04116J","","x-ray","0.71073","MoKα","","0.0518","0.0404","","","0.0962","0.1031","","","","","","1.043","","","","has coordinates","296647","2024-12-06","20:23:22",""
"7063516","9.9399","0.0005","10.6305","0.0005","11.8378","0.0004","64.339","0.004","84.268","0.003","83.514","0.004","1118.45","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H13 F6 I N2 O6 S2 -","- C18 H13 F6 I N2 O6 S2 -","- C36 H26 F12 I2 N4 O12 S4 -","2","1","","Safinskaya, Yana V.; Il’in, Mikhail V.; Bolotin, Dmitrii S.","Base-mediated intramolecular aryl–aryl coupling in pyrazolyl-containing iodolium salts","New Journal of Chemistry","2024","48","45","19034","19039","10.1039/D4NJ02894E","","x-ray","1.54184","CuKα","","0.1002","0.085","","","0.2504","0.2881","","","","","","1.205","","","","has coordinates","296656","2024-12-06","20:25:20",""
"7063517","6.0042","0.0009","20.645","0.003","8.6691","0.0013","90","","103.459","0.005","90","","1045.1","0.3","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 O S2 -","- C11 H8 O S2 -","- C44 H32 O4 S8 -","4","1","","Purushothaman, Palani; Karpagam, Subramanian; Katiyan, Mohammed Rehan; Sakvai, Mohammed Safiullah","Anticorrosive performance of thiophene-based inhibitor-reinforced PVB coating on mild steel: an inclusive approach to the structural advantage of corrosion inhibitors","New Journal of Chemistry","2024","48","47","19900","19911","10.1039/D4NJ03239J","","","0.71073","MoKα","","0.0661","0.0466","","","0.107","0.1259","","","","","","1.1054","","","","has coordinates,has disorder","296648","2024-12-06","20:23:39",""
"7063518","25.472","0.0009","14.6171","0.0003","21.3754","0.0007","90","","116.727","0.004","90","","7108.3","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C66 H42 F21 Nd O8 P2 S3 -","- C66 H42 F21 Nd O8 P2 S3 -","- C264 H168 F84 Nd4 O32 P8 S12 -","4","0.5","","Ahmed, Zubair; Ali, Asgar; Imam, Faisal; Carvalho, Rafael S.; Cremona, Marco","Photophysical and optoelectronic studies of 1.06 and 13.3 μm emissive neodymium complexes","New Journal of Chemistry","2024","48","45","19266","19282","10.1039/D4NJ03842H","","","0.71073","MoKα","","0.066","0.0527","","","0.128","0.1344","","","","","","1.21","","","","has coordinates,has disorder","296657","2024-12-06","20:25:28",""
"7063519","12.9159","0.0002","13.4516","0.0002","14.7014","0.0002","90","","106.134","0.002","90","","2453.61","0.07","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N2 O4 S2 Zn -","- C26 H22 N2 O4 S2 Zn -","- C104 H88 N8 O16 S8 Zn4 -","4","1","","Pratap, Rajesh; Kumari, Soni; Chaturvedi, Nishtha; Mishra, Rajnikant; Bhattacharya, Subrato","Synthesis, characterization, and biological applications of zinc(ii) complexes of the methylthiosalicylate ligand","New Journal of Chemistry","2024","48","47","19763","19778","10.1039/D4NJ03927K","","","0.71073","MoKα","","0.0476","0.0309","","","0.0718","0.0772","","","","","","1.0349","","","","has coordinates","296644","2024-12-06","20:22:46",""
"7063520","11.276","0.0006","17.4923","0.0009","15.1911","0.001","90","","109.384","0.007","90","","2826.5","0.3","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 N2 O5 S2 Zn -","- C26 H22 N2 O4 S2 Zn -","- C104 H88 N8 O16 S8 Zn4 -","4","1","","Pratap, Rajesh; Kumari, Soni; Chaturvedi, Nishtha; Mishra, Rajnikant; Bhattacharya, Subrato","Synthesis, characterization, and biological applications of zinc(ii) complexes of the methylthiosalicylate ligand","New Journal of Chemistry","2024","48","47","19763","19778","10.1039/D4NJ03927K","","","0.71073","MoKα","","0.0806","0.0508","","","0.1398","0.1561","","","","","","1.0321","","","","has coordinates","296644","2024-12-06","20:22:46",""
"7063521","8.7007","0.0003","16.6815","0.0005","17.3948","0.0006","90","","90.253","0.003","90","","2524.67","0.14","293","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H62 N4 O9 S4 Zn2 -","- C44 H62 N4 O9 S4 Zn2 -","- C88 H124 N8 O18 S8 Zn4 -","2","1","","Pratap, Rajesh; Kumari, Soni; Chaturvedi, Nishtha; Mishra, Rajnikant; Bhattacharya, Subrato","Synthesis, characterization, and biological applications of zinc(ii) complexes of the methylthiosalicylate ligand","New Journal of Chemistry","2024","48","47","19763","19778","10.1039/D4NJ03927K","","x-ray","0.71073","MoKα","","0.0961","0.0658","","","0.1635","0.1786","","","","","","1.043","","","","has coordinates","296644","2024-12-06","20:22:46",""
"7063522","9.2575","0.0004","29.501","0.0008","10.2104","0.0004","90","","112.315","0.005","90","","2579.69","0.19","293","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H22 N2 O4 S2 Zn -","- C28 H22 N2 O4 S2 Zn -","- C112 H88 N8 O16 S8 Zn4 -","4","2","","Pratap, Rajesh; Kumari, Soni; Chaturvedi, Nishtha; Mishra, Rajnikant; Bhattacharya, Subrato","Synthesis, characterization, and biological applications of zinc(ii) complexes of the methylthiosalicylate ligand","New Journal of Chemistry","2024","48","47","19763","19778","10.1039/D4NJ03927K","","x-ray","0.71073","MoKα","","0.1258","0.0592","","","0.1275","0.1508","","","","","","1.006","","","","has coordinates","296644","2024-12-06","20:22:46",""
"7063523","9.6476","0.0003","10.3299","0.0003","10.6385","0.0003","81.756","0.002","87.651","0.002","75.422","0.003","1015.47","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 N6 O19 Zn4 -","- C30 H34 N6 O19 Zn4 -","- C30 H34 N6 O19 Zn4 -","1","0.5","","Arya, Kushal; Mehra, Sanjay; Kumar, Ajay; Saini, Vaneet; Kumar, Arvind; Mehta, Surinder Kumar; Kataria, Ramesh","Comparative study of luminescent Cd-MOF and Cd-MOF@HNT nanomaterials for the detection of hydroxyl-functionalized nitroaromatic compounds","New Journal of Chemistry","2024","48","47","20018","20033","10.1039/D4NJ04352A","","x-ray","0.71073","MoKα","","0.052","0.0387","","","0.1018","0.1074","","","","","","1.07","","","","has coordinates,has disorder","296649","2024-12-06","20:23:50",""
"7063524","8.5736","0.0013","7.5326","0.0012","13.072","0.002","90","","90","","90","","844.2","0.2","273.15","","273.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- B5 H K O9 Rb -","- B5 H K O9 Rb -","- B20 H4 K4 O36 Rb4 -","4","1","","Ababaikeri, Aihaimaitijiang; Pan, Xueting; Hou, Xueling; Han, Jian","K, Rb-hydroxyborates series with deep-ultraviolet KRbB5O8(OH) possessing moderate second harmonic generation response","New Journal of Chemistry","2024","48","46","19501","19507","10.1039/D4NJ04016C","","","0.71073","MoKα","","0.0427","0.0394","","","0.0873","0.0896","","","","","","1.054","","","","has coordinates,has disorder","296643","2024-12-06","20:21:23",""
"7063525","9.103","0.0005","6.6379","0.0003","16.3616","0.0009","90","","91.866","0.003","90","","988.12","0.09","156","","156","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","KRbB6O9(OH)2","","- B6 H2 K O11 Rb -","- B6 H2 K O11 Rb -","- B24 H8 K4 O44 Rb4 -","4","1","","Ababaikeri, Aihaimaitijiang; Pan, Xueting; Hou, Xueling; Han, Jian","K, Rb-hydroxyborates series with deep-ultraviolet KRbB5O8(OH) possessing moderate second harmonic generation response","New Journal of Chemistry","2024","48","46","19501","19507","10.1039/D4NJ04016C","","","0.71073","MoKα","","0.0568","0.0471","","","0.1178","0.1218","","","","","","1.104","","","","has coordinates","296643","2024-12-06","20:21:23",""
"7063526","18.1442","0.0008","6.9056","0.0003","13.4447","0.0007","90","","95.926","0.002","90","","1675.57","0.14","300","","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","k3.3Rb0.7B10O19(OH)2","","- B10 H4 K3.3 O19 Rb0.7 -","- B10 H4 K3.3 O19 Rb0.7 -","- B40 H16 K13.2 O76 Rb2.8 -","4","0.5","","Ababaikeri, Aihaimaitijiang; Pan, Xueting; Hou, Xueling; Han, Jian","K, Rb-hydroxyborates series with deep-ultraviolet KRbB5O8(OH) possessing moderate second harmonic generation response","New Journal of Chemistry","2024","48","46","19501","19507","10.1039/D4NJ04016C","","","0.71073","MoKα","","0.0422","0.0375","","","0.1053","0.1083","","","","","","1.148","","","","has coordinates","296643","2024-12-06","20:21:23",""
"7063527","7.88082","0.00011","12.52489","0.00013","16.0163","0.00014","97.1059","0.0008","91.7213","0.001","94.7055","0.001","1562.19","0.03","100.01","0.13","100.01","0.13","","","","","","","","4","P -1","-P 1","2","","","","- C36 H29 N8 O4 -","- C36 H29 N8 O4 -","- C72 H58 N16 O8 -","2","1","","Golubev, Artem A.; Simdianov, Ivan V.; Smetanin, Ilia A.; Agafonova, Anastasiya V.; Rostovskii, Nikolai V.; Khlebnikov, Alexander F.; Novikov, Mikhail S.","2-Azidoazirines suitable for click chemistry: synthesis of 1-(2H-azirin-2-yl)-1H-1,2,3-triazoles","New Journal of Chemistry","2024","48","47","19957","19962","10.1039/D4NJ03517H","","x-ray","1.54184","CuKα","","0.0405","0.036","","","0.0955","0.0987","","","","","","1.051","","","","has coordinates","296645","2024-12-06","20:22:57",""
"7063528","8.1274","0.0004","19.4244","0.0007","7.4857","0.0003","90","","110.223","0.005","90","","1108.92","0.09","99.9","0.3","99.9","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","methyl 2-azido-3-(2-bromophenyl)-2H-azirine-2-carboxylate","","- C10 H7 Br N4 O2 -","- C10 H7 Br N4 O2 -","- C40 H28 Br4 N16 O8 -","4","1","","Golubev, Artem A.; Simdianov, Ivan V.; Smetanin, Ilia A.; Agafonova, Anastasiya V.; Rostovskii, Nikolai V.; Khlebnikov, Alexander F.; Novikov, Mikhail S.","2-Azidoazirines suitable for click chemistry: synthesis of 1-(2H-azirin-2-yl)-1H-1,2,3-triazoles","New Journal of Chemistry","2024","48","47","19957","19962","10.1039/D4NJ03517H","","x-ray","1.54184","CuKα","","0.0422","0.0363","","","0.0903","0.0932","","","","","","1.078","","","","has coordinates","296645","2024-12-06","20:22:57",""
"7063529","5.9685","0.0003","9.2906","0.0004","9.6913","0.0004","101.346","0.004","99.374","0.004","99.632","0.004","508.69","0.04","99.8","0.7","99.8","0.7","","","","","","","","4","P -1","-P 1","2","","","","- C10 H8 N4 O2 -","- C10 H8 N4 O2 -","- C20 H16 N8 O4 -","2","1","","Golubev, Artem A.; Simdianov, Ivan V.; Smetanin, Ilia A.; Agafonova, Anastasiya V.; Rostovskii, Nikolai V.; Khlebnikov, Alexander F.; Novikov, Mikhail S.","2-Azidoazirines suitable for click chemistry: synthesis of 1-(2H-azirin-2-yl)-1H-1,2,3-triazoles","New Journal of Chemistry","2024","48","47","19957","19962","10.1039/D4NJ03517H","","x-ray","1.54184","CuKα","","0.0444","0.0381","","","0.1001","0.1048","","","","","","1.06","","","","has coordinates","296645","2024-12-06","20:22:57",""
"7063530","13.8856","0.0003","15.5863","0.0004","12.3909","0.0003","90","","92.948","0.002","90","","2678.15","0.11","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis[5-(4-chlorophenyl)-3-hydroxy-4-methylthiazole-2(3H)-thionolato]zinc(II)","","- C25 H19 Cl2 N3 O2 S4 Zn -","- C25 H19 Cl2 N3 O2 S4 Zn -","- C100 H76 Cl8 N12 O8 S16 Zn4 -","4","1","","Saito, Ryota; Naito, Yuki; Yoshikawa, Yutaka; Yasui, Hiroyuki; Kikkawa, Shoko; Ju, Huiyeong; Ohba, Rintaro; Miyamoto, Tae; Sano, Shogo; Maeda, Kazuya; Tamura, Mako; Azumaya, Isao","Synthesis, crystal structure, and insulin-mimetic activity of zinc(II) complexes with 4-alkyl- and 4,5-dialkyl-3-hydroxythiazole-2(3H)-thiones as a new class of hypoglycemic agent candidates","New Journal of Chemistry","2024","","","","","10.1039/D4NJ04035J","","","0.71073","MoKα","","0.0442","0.0317","","","0.0662","0.0696","","","","","","1.027","","","","has coordinates","295898","2024-11-13","01:43:32",""
"7063531","11.6997","0.0005","7.5824","0.0003","17.0546","0.0007","90","","108.729","0.0006","90","","1432.83","0.1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[3-hydroxy-4,5-dimethyl-2-thioxo-3-thiazololato]zinc(II)","","- C10 H12 N2 O2 S4 Zn -","- C10 H12 N2 O2 S4 Zn -","- C40 H48 N8 O8 S16 Zn4 -","4","1","","Saito, Ryota; Naito, Yuki; Yoshikawa, Yutaka; Yasui, Hiroyuki; Kikkawa, Shoko; Ju, Huiyeong; Ohba, Rintaro; Miyamoto, Tae; Sano, Shogo; Maeda, Kazuya; Tamura, Mako; Azumaya, Isao","Synthesis, crystal structure, and insulin-mimetic activity of zinc(II) complexes with 4-alkyl- and 4,5-dialkyl-3-hydroxythiazole-2(3H)-thiones as a new class of hypoglycemic agent candidates","New Journal of Chemistry","2024","","","","","10.1039/D4NJ04035J","","","0.71073","MoKα","","0.0312","0.0299","","","0.0855","0.0865","","","","","","1.045","","","","has coordinates","295898","2024-11-13","01:43:34",""
"7063532","7.5733","0.0016","8.7066","0.0019","13.442","0.003","78.741","0.002","74.963","0.002","88.673","0.003","839.2","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Bis[4-ethyl-3-hydroxy-5-methylthiazole-2(3H)-thionolato]zinc(II)","","- C12 H16 N2 O2 S4 Zn -","- C12 H16 N2 O2 S4 Zn -","- C24 H32 N4 O4 S8 Zn2 -","2","1","","Saito, Ryota; Naito, Yuki; Yoshikawa, Yutaka; Yasui, Hiroyuki; Kikkawa, Shoko; Ju, Huiyeong; Ohba, Rintaro; Miyamoto, Tae; Sano, Shogo; Maeda, Kazuya; Tamura, Mako; Azumaya, Isao","Synthesis, crystal structure, and insulin-mimetic activity of zinc(II) complexes with 4-alkyl- and 4,5-dialkyl-3-hydroxythiazole-2(3H)-thiones as a new class of hypoglycemic agent candidates","New Journal of Chemistry","2024","","","","","10.1039/D4NJ04035J","","","0.71073","MoKα","","0.0609","0.0376","","","0.0844","0.0963","","","","","","1.006","","","","has coordinates","295898","2024-11-13","01:43:36",""
"7063533","8.6523","0.0003","21.5296","0.0008","10.1015","0.0004","90","","103.203","0.0006","90","","1831.97","0.12","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[4-(tert-butyl)-3-hydroxythiazole-2(3H)-thionolato]zinc(II)","","- C14 H20 N2 O2 S4 Zn -","- C14 H20 N2 O2 S4 Zn -","- C56 H80 N8 O8 S16 Zn4 -","4","1","","Saito, Ryota; Naito, Yuki; Yoshikawa, Yutaka; Yasui, Hiroyuki; Kikkawa, Shoko; Ju, Huiyeong; Ohba, Rintaro; Miyamoto, Tae; Sano, Shogo; Maeda, Kazuya; Tamura, Mako; Azumaya, Isao","Synthesis, crystal structure, and insulin-mimetic activity of zinc(II) complexes with 4-alkyl- and 4,5-dialkyl-3-hydroxythiazole-2(3H)-thiones as a new class of hypoglycemic agent candidates","New Journal of Chemistry","2024","","","","","10.1039/D4NJ04035J","","","0.71073","MoKα","","0.0249","0.0223","","","0.0553","0.057","","","","","","1.03","","","","has coordinates","295898","2024-11-13","01:43:38",""
"7063534","8.3806","0.0003","13.3652","0.0004","9.0229","0.0003","90","","103.793","0.0004","90","","981.5","0.06","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis[3-hydroxy-4,5-dimethyl-2-thioxo-3-thiazololato]zinc(II)","","- C15 H17 N3 O2 S4 Zn -","- C15 H17 N3 O2 S4 Zn -","- C30 H34 N6 O4 S8 Zn2 -","2","1","","Saito, Ryota; Naito, Yuki; Yoshikawa, Yutaka; Yasui, Hiroyuki; Kikkawa, Shoko; Ju, Huiyeong; Ohba, Rintaro; Miyamoto, Tae; Sano, Shogo; Maeda, Kazuya; Tamura, Mako; Azumaya, Isao","Synthesis, crystal structure, and insulin-mimetic activity of zinc(II) complexes with 4-alkyl- and 4,5-dialkyl-3-hydroxythiazole-2(3H)-thiones as a new class of hypoglycemic agent candidates","New Journal of Chemistry","2024","","","","","10.1039/D4NJ04035J","","","0.71073","MoKα","","0.0169","0.0168","","","0.0444","0.0445","","","","","","1.064","","","","has coordinates","295898","2024-11-13","01:43:39",""
"7063535","11.9955","0.0007","10.9525","0.0007","12.7788","0.0008","90","","94.206","0.001","90","","1674.37","0.18","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[3-hydroxy-4,5,6,7-tetrahydrobenzo[d]thiazole-2(3H)-thionolato]zinc(II)","","- C14 H16 N2 O2 S4 Zn -","- C14 H16 N2 O2 S4 Zn -","- C56 H64 N8 O8 S16 Zn4 -","4","0.5","","Saito, Ryota; Naito, Yuki; Yoshikawa, Yutaka; Yasui, Hiroyuki; Kikkawa, Shoko; Ju, Huiyeong; Ohba, Rintaro; Miyamoto, Tae; Sano, Shogo; Maeda, Kazuya; Tamura, Mako; Azumaya, Isao","Synthesis, crystal structure, and insulin-mimetic activity of zinc(II) complexes with 4-alkyl- and 4,5-dialkyl-3-hydroxythiazole-2(3H)-thiones as a new class of hypoglycemic agent candidates","New Journal of Chemistry","2024","","","","","10.1039/D4NJ04035J","","","0.71073","MoKα","","0.0262","0.0232","","","0.0568","0.06","","","","","","1.033","","","","has coordinates","295898","2024-11-13","01:43:40",""
"7063536","22.2728","0.0008","13.758","0.0003","20.7491","0.0006","90","","115.802","0.004","90","","5724.2","0.4","150","2","149.9","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C120 H106 N8 Ni4 O5 P8 S8 -","- C120 H106 N8 Ni4 O5 P8 S8 -","- C240 H212 N16 Ni8 O10 P16 S16 -","2","0.5","","Srivastava, Shreya; Daniel, Omoding; Kushwaha, Aparna; Kociok-Köhn, Gabriele; Ahmed, Sarfaraz; Kumar, Abhinav","Supramolecular and homogeneous electrocatalytic HER properties of new heteroleptic cyanoacetamide dithiolate based Ni(II) tertiary phosphanes: Effect of co-ligand flexibility on electrocatalytic performance","New Journal of Chemistry","2024","","","","","10.1039/D4NJ04282D","","x-ray","0.71073","MoKα","","0.0946","0.0622","","","0.1155","0.1284","","","","","","1.066","","","","has coordinates,has disorder","295925","2024-11-15","01:18:55",""
"7063537","21.0214","0.0008","20.6073","0.0007","17.9611","0.0005","90","","107.451","0.003","90","","7422.5","0.4","150","2","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 Fe N2 Ni O P2 S2 -","- C38 H30 Fe N2 Ni O P2 S2 -","- C304 H240 Fe8 N16 Ni8 O8 P16 S16 -","8","2","","Srivastava, Shreya; Daniel, Omoding; Kushwaha, Aparna; Kociok-Köhn, Gabriele; Ahmed, Sarfaraz; Kumar, Abhinav","Supramolecular and homogeneous electrocatalytic HER properties of new heteroleptic cyanoacetamide dithiolate based Ni(II) tertiary phosphanes: Effect of co-ligand flexibility on electrocatalytic performance","New Journal of Chemistry","2024","","","","","10.1039/D4NJ04282D","","x-ray","0.71073","MoKα","","0.0804","0.0508","","","0.0972","0.1093","","","","","","1.048","","","","has coordinates,has disorder","295925","2024-11-15","01:18:56",""
"7063538","24.5993","0.0003","16.68773","0.00012","19.7885","0.0002","90","","113.502","0.0014","90","","7449.44","0.15","150","2","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 N2 Ni O P2 S2 -","- C40 H32 N2 Ni O P2 S2 -","- C320 H256 N16 Ni8 O8 P16 S16 -","8","2","","Srivastava, Shreya; Daniel, Omoding; Kushwaha, Aparna; Kociok-Köhn, Gabriele; Ahmed, Sarfaraz; Kumar, Abhinav","Supramolecular and homogeneous electrocatalytic HER properties of new heteroleptic cyanoacetamide dithiolate based Ni(II) tertiary phosphanes: Effect of co-ligand flexibility on electrocatalytic performance","New Journal of Chemistry","2024","","","","","10.1039/D4NJ04282D","","x-ray","1.54184","CuKα","","0.0669","0.0554","","","0.1515","0.1598","","","","","","1.039","","","","has coordinates,has disorder","295925","2024-11-15","01:18:57",""
"7063539","18.2329","0.0019","7.2566","0.0008","15.731","0.002","90","","113.051","0.005","90","","1915.2","0.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N O6 S -","- C21 H17 N O6 S -","- C84 H68 N4 O24 S4 -","4","1","","Chaitanya, Kalakonda Raga; Ambala, Srinivas; Kodiripaka, Bheeshma Geetanjali; Babu, Bathini Nagendra","Regioselective alkenylation of masked carboxylic acid derivatives of coumarins with acrylates via oxidative C(sp2)–C(sp2) cross-coupling","New Journal of Chemistry","2024","48","47","19742","19745","10.1039/D4NJ04014G","","","0.71073","MoKα","","0.0934","0.0596","","","0.1358","0.1554","","","","","","1.068","","","","has coordinates","296646","2024-12-06","20:23:04",""
"7063540","12.1528","0.0004","12.5134","0.0004","14.9487","0.0005","67.721","0.001","79.142","0.001","66.455","0.001","1926.63","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H42 Co Dy N4 O15 -","- C35 H42 Co Dy N4 O15 -","- C70 H84 Co2 Dy2 N8 O30 -","2","1","","Panja, Anangamohan; Jaglicic, Zvonko; Herchel, Radovan; Jana, Narayan Ch.; Brandão, Paula; Pramanik, Kuheli","The distinguishing effect of the magnetic states of cobalt on the performance of single-molecule magnet behaviors in a closely related CoIIIDyIII and CoIIDyIII complexes","New Journal of Chemistry","2024","","","","","10.1039/D4NJ03979C","","","0.71073","MoKα","","0.0287","0.0241","","","0.0548","0.057","","","","","","1.053","","","","has coordinates,has disorder","295990","2024-11-19","01:29:59",""
"7063541","35.215","0.003","42.917","0.004","12.7391","0.0009","90","","90","","90","","19253","3","150","2","150","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C47 H58.3 Co Dy N2 O12.5 -","- C47 H58.3 Co Dy N2 O12.5 -","- C752 H932.8 Co16 Dy16 N32 O200 -","16","1","","Panja, Anangamohan; Jaglicic, Zvonko; Herchel, Radovan; Jana, Narayan Ch.; Brandão, Paula; Pramanik, Kuheli","The distinguishing effect of the magnetic states of cobalt on the performance of single-molecule magnet behaviors in a closely related CoIIIDyIII and CoIIDyIII complexes","New Journal of Chemistry","2024","","","","","10.1039/D4NJ03979C","","","0.71073","MoKα","","0.0289","0.0248","","","0.0616","0.0635","","","","","","1.04","","","","has coordinates,has disorder","295990","2024-11-19","01:30:00",""
"7063542","6.7789","0.0003","28.837","0.0012","9.0488","0.0004","90","","106.466","0.001","90","","1696.34","0.13","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2","","- C15 H13 N2 O5 Re S -","- C15 H13 N2 O5 Re S -","- C60 H52 N8 O20 Re4 S4 -","4","1","","Mondal, Tapan Kumar; Das, Akash; Guha, Subhabrata; Halder, Arpan; Gharami, Saswati; Naskar, Rahul; Das, Gaurav","Synthesis, characterization, DNA/Protein binding study and anticancer activity of novel tricarbonyl Re(I) complexes with ONS donor azo-thioether ligands","New Journal of Chemistry","2024","","","","","10.1039/D4NJ03255A","","","0.71073","MoKα","","0.0313","0.0281","","","0.0698","0.0719","","","","","","1.12","","","","has coordinates","296000","2024-11-20","01:14:22",""
"7063543","12.3197","0.0013","18.6903","0.0019","9.6299","0.0011","90","","111.997","0.003","90","","2056","0.4","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N2 O4 Re S -","- C21 H15 N2 O4 Re S -","- C84 H60 N8 O16 Re4 S4 -","4","1","","Mondal, Tapan Kumar; Das, Akash; Guha, Subhabrata; Halder, Arpan; Gharami, Saswati; Naskar, Rahul; Das, Gaurav","Synthesis, characterization, DNA/Protein binding study and anticancer activity of novel tricarbonyl Re(I) complexes with ONS donor azo-thioether ligands","New Journal of Chemistry","2024","","","","","10.1039/D4NJ03255A","","","0.71073","MoKα","","0.0277","0.023","","","0.0541","0.0566","","","","","","1.065","","","","has coordinates","296000","2024-11-20","01:14:23",""
"7063544","8.7357","0.0004","12.7597","0.0006","14.3635","0.0006","90","","90","","90","","1601.03","0.12","300","","300","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- B8 Cs1.13 N O16 Rb1.87 -","- B8 Cs1.131 N O16 Rb1.869 -","- B32 Cs4.524 N4 O64 Rb7.476 -","4","1","","Liu, Changyou; Liu, Xu; Feng, Qiuyuan; Hou, Ketian; Zhang, Bei; Lu, Juanjuan","Rb1.87Cs1.13B8O13(NO3): A new acentric borate-nitrate with two different types of three-dimensional interpenetrating lattices","New Journal of Chemistry","2024","","","","","10.1039/D4NJ04372C","","","0.71073","MoKα","","0.0359","0.0296","","","0.0574","0.0606","","","","","","1.043","","","","has coordinates","296035","2024-11-21","01:37:04",""
"7063545","25.474","0.014","14.648","0.008","6.969","0.004","90","","94.997","0.017","90","","2591","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H7 Ag N3 O6 -","- C12 H7 Ag N3 O6 -","- C96 H56 Ag8 N24 O48 -","8","1","","Kaur, Rupali; Yadav, Neeraj; Gouda, Laxman; Jassal, Amanpreet Kaur","Insight on the diversity of dimensionality in silver-based coordination polymers for enhanced supercapacitor performance","New Journal of Chemistry","2024","","","","","10.1039/D4NJ04451G","","","0.71073","MoKα","","0.1263","0.0594","","","0.1436","0.1781","","","","","","0.883","","","","has coordinates","296078","2024-11-23","01:25:29",""
"7063546","7.1387","0.0003","9.6061","0.0004","11.4125","0.0005","90.441","0.0017","94.919","0.0015","108.822","0.0016","737.52","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 Ag N2 O4 -","- C16 H15 Ag N2 O4 -","- C32 H30 Ag2 N4 O8 -","2","1","","Kaur, Rupali; Yadav, Neeraj; Gouda, Laxman; Jassal, Amanpreet Kaur","Insight on the diversity of dimensionality in silver-based coordination polymers for enhanced supercapacitor performance","New Journal of Chemistry","2024","","","","","10.1039/D4NJ04451G","","","0.71073","MoKα","","0.0341","0.0279","","","0.0706","0.0753","","","","","","1.057","","","","has coordinates","296078","2024-11-23","01:25:29",""
"7063547","5.8699","0.0002","5.8699","0.0002","13.4589","0.0009","90","","90","","90","","463.74","0.04","99","2","99","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","C4O2F2","Acetylenedicarbonyl Fluoride","","- C4 F2 O2 -","- C4 F2 O2 -","- C16 F8 O8 -","4","0.5","","Hollenwäger, Dirk; Nitzer, Alexander; Leitz, Dominik; Kornath, Andreas J.","Structures and properties of the mono- and diprotonated species of acetylenedicarbonyl fluoride","New Journal of Chemistry","2024","","","","","10.1039/D4NJ04175E","","","0.71073","MoKα","","0.0421","0.0352","","","0.0709","0.0732","","","","","","1.088","","","","has coordinates","296079","2024-11-23","01:25:54",""
"7063548","7.68","0.0008","7.9588","0.0007","8.2202","0.0007","102.824","0.007","104.736","0.008","110.992","0.009","425.53","0.08","101","2","101","2","","","","","","","","5","P -1","-P 1","2","[C4(OH)OF2][SbF6]","protonated Acetylenedicarbonyl Fluoride","","- C4 H F8 O2 Sb -","- C4 H F8 O2 Sb -","- C8 H2 F16 O4 Sb2 -","2","1","","Hollenwäger, Dirk; Nitzer, Alexander; Leitz, Dominik; Kornath, Andreas J.","Structures and properties of the mono- and diprotonated species of acetylenedicarbonyl fluoride","New Journal of Chemistry","2024","","","","","10.1039/D4NJ04175E","","","0.71073","MoKα","","0.0413","0.0335","","","0.0807","0.0836","","","","","","1.074","","","","has coordinates","296079","2024-11-23","01:25:55",""
"7063549","7.4703","0.0006","8.0314","0.001","9.7471","0.0005","94.096","0.007","91.767","0.005","114.341","0.009","530.28","0.09","98","2","98","2","","","","","","","","5","P -1","-P 1","2","[C4(OH)2F2][Sb2F11]","diprotonated Acetylenedicarbonyl Fluoride","","- C2 H2 F13 O Sb2 -","- C2 H2 F13 O Sb2 -","- C4 H4 F26 O2 Sb4 -","2","1","","Hollenwäger, Dirk; Nitzer, Alexander; Leitz, Dominik; Kornath, Andreas J.","Structures and properties of the mono- and diprotonated species of acetylenedicarbonyl fluoride","New Journal of Chemistry","2024","","","","","10.1039/D4NJ04175E","","","0.71073","MoKα","","0.0421","0.0318","","","0.0635","0.0688","","","","","","1.026","","","","has coordinates","296079","2024-11-23","01:25:56",""
"7063550","17.3013","0.0015","4.7563","0.0004","26.838","0.002","90","","98.01","0.004","90","","2187","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Br2 O2 S4 Zn -","- C20 H16 Br2 O2 S4 Zn -","- C80 H64 Br8 O8 S16 Zn4 -","4","0.5","","Yadav, Chote Lal; Kushwaha, Anamika; Singh, Rajan; Kumar, Akhilesh; Singh, Rakesh; Drew, Michael G. B.; Manar, Krishna Kumar; Singh, Nanhai","Anti-leishmanial Study of Discrete Tetrahedral Zinc(II) β-oxodithioester Complexes","New Journal of Chemistry","2024","","","","","10.1039/D4NJ04275A","","","0.71073","MoKα","","0.0932","0.048","","","0.0814","0.0934","","","","","","1.03","","","","has coordinates","296130","2024-11-27","01:27:08",""
"7063551","24.5268","0.0014","4.7097","0.0003","16.8095","0.0009","90","","110.665","0.003","90","","1816.8","0.19","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 O4 S4 Zn -","- C16 H14 O4 S4 Zn -","- C64 H56 O16 S16 Zn4 -","4","0.5","","Yadav, Chote Lal; Kushwaha, Anamika; Singh, Rajan; Kumar, Akhilesh; Singh, Rakesh; Drew, Michael G. B.; Manar, Krishna Kumar; Singh, Nanhai","Anti-leishmanial Study of Discrete Tetrahedral Zinc(II) β-oxodithioester Complexes","New Journal of Chemistry","2024","","","","","10.1039/D4NJ04275A","","","0.71073","MoKα","","0.0443","0.0363","","","0.0833","0.088","","","","","","1.072","","","","has coordinates,has disorder","296130","2024-11-27","01:27:08",""
"7063552","17.3481","0.0016","51.429","0.005","4.7643","0.0004","90","","90","","90","","4250.7","0.7","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C20 H16 F2 O2 S4 Zn -","- C20 H16 F2 O2 S4 Zn -","- C160 H128 F16 O16 S32 Zn8 -","8","0.5","","Yadav, Chote Lal; Kushwaha, Anamika; Singh, Rajan; Kumar, Akhilesh; Singh, Rakesh; Drew, Michael G. B.; Manar, Krishna Kumar; Singh, Nanhai","Anti-leishmanial Study of Discrete Tetrahedral Zinc(II) β-oxodithioester Complexes","New Journal of Chemistry","2024","","","","","10.1039/D4NJ04275A","","","0.71073","MoKα","","0.0199","0.0189","","","0.0449","0.0455","","","","","","1.07","","","","has coordinates","296130","2024-11-27","01:27:08",""
"7063553","3.59786","0.00013","11.9961","0.0004","4.7679","0.0002","90","","105.285","0.0006","90","","198.505","0.013","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-dihydro[1,2,3]triazolo[4,5-d][1,2,3]triazole","","- C2 H2 N6 -","- C2 H2 N6 -","- C4 H4 N12 -","2","0.5","","Kuznetsova, Agata; Leonov, Nikita E.; Anikin, Oleg V.; Klenov, Michael S.; Churakov, Aleksandr M.; Strelenko, Yuri A.; Novikov, Roman A.; Fedyanin, Ivan V.; Pivkina, Alla N.; Kon'kova, Tatyana S.; Sinditskii, Valery P.; Smirnova, Anastasia D.; Tartakovsky, Vladimir","Parent 1,4-dihydro-[1,2,3]triazolo[4,5-d][1,2,3]triazole and its derivatives as precursors for the design of promising high energy density materials†","New Journal of Chemistry","2024","","","","","10.1039/D4NJ04427D","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","","0.00889","3.602","","","","","","","has coordinates","296131","2024-11-27","01:28:10",""
"7063554","4.1132","0.0006","6.0633","0.0008","6.1413","0.0008","92.207","0.005","96.659","0.005","100.975","0.005","149.06","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C4 H6 N6 -","- C4 H6 N6 -","- C4 H6 N6 -","1","0.5","","Kuznetsova, Agata; Leonov, Nikita E.; Anikin, Oleg V.; Klenov, Michael S.; Churakov, Aleksandr M.; Strelenko, Yuri A.; Novikov, Roman A.; Fedyanin, Ivan V.; Pivkina, Alla N.; Kon'kova, Tatyana S.; Sinditskii, Valery P.; Smirnova, Anastasia D.; Tartakovsky, Vladimir","Parent 1,4-dihydro-[1,2,3]triazolo[4,5-d][1,2,3]triazole and its derivatives as precursors for the design of promising high energy density materials†","New Journal of Chemistry","2024","","","","","10.1039/D4NJ04427D","","","0.71073","MoKα","","0.0517","0.0424","","","0.1041","0.1117","","","","","","1.015","","","","has coordinates","296131","2024-11-27","01:28:14",""
"7063555","3.879","0.0003","6.2602","0.0005","12.9022","0.0011","90","","98.274","0.002","90","","310.05","0.04","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 N6 -","- C4 H6 N6 -","- C8 H12 N12 -","2","0.5","","Kuznetsova, Agata; Leonov, Nikita E.; Anikin, Oleg V.; Klenov, Michael S.; Churakov, Aleksandr M.; Strelenko, Yuri A.; Novikov, Roman A.; Fedyanin, Ivan V.; Pivkina, Alla N.; Kon'kova, Tatyana S.; Sinditskii, Valery P.; Smirnova, Anastasia D.; Tartakovsky, Vladimir","Parent 1,4-dihydro-[1,2,3]triazolo[4,5-d][1,2,3]triazole and its derivatives as precursors for the design of promising high energy density materials†","New Journal of Chemistry","2024","","","","","10.1039/D4NJ04427D","","","0.71073","MoKα","","0.0392","0.0379","","","0.0975","0.0984","","","","","","1.07","","","","has coordinates,has disorder","296131","2024-11-27","01:28:27",""
"7063556","3.6557","0.0005","10.3968","0.0014","13.7717","0.0018","90","","90","","90","","523.43","0.12","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H2 N6 O -","- C3 H2 N6 O -","- C12 H8 N24 O4 -","4","1","","Kuznetsova, Agata; Leonov, Nikita E.; Anikin, Oleg V.; Klenov, Michael S.; Churakov, Aleksandr M.; Strelenko, Yuri A.; Novikov, Roman A.; Fedyanin, Ivan V.; Pivkina, Alla N.; Kon'kova, Tatyana S.; Sinditskii, Valery P.; Smirnova, Anastasia D.; Tartakovsky, Vladimir","Parent 1,4-dihydro-[1,2,3]triazolo[4,5-d][1,2,3]triazole and its derivatives as precursors for the design of promising high energy density materials†","New Journal of Chemistry","2024","","","","","10.1039/D4NJ04427D","","","0.71073","MoKα","","0.0382","0.0312","","","0.0763","0.0783","","","","","","0.999","","","","has coordinates","296131","2024-11-27","01:28:30",""
"7063557","10.1984","0.0009","13.0426","0.0011","14.4939","0.0012","90","","90","","90","","1927.9","0.3","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H27 Cl N6 O4 -","- C14 H27 Cl N6 O4 -","- C56 H108 Cl4 N24 O16 -","4","1","","Kuznetsova, Agata; Leonov, Nikita E.; Anikin, Oleg V.; Klenov, Michael S.; Churakov, Aleksandr M.; Strelenko, Yuri A.; Novikov, Roman A.; Fedyanin, Ivan V.; Pivkina, Alla N.; Kon'kova, Tatyana S.; Sinditskii, Valery P.; Smirnova, Anastasia D.; Tartakovsky, Vladimir","Parent 1,4-dihydro-[1,2,3]triazolo[4,5-d][1,2,3]triazole and its derivatives as precursors for the design of promising high energy density materials†","New Journal of Chemistry","2024","","","","","10.1039/D4NJ04427D","","","0.71073","MoKα","","0.056","0.0407","","","0.1008","0.1054","","","","","","1.081","","","","has coordinates","296131","2024-11-27","01:28:33",""
"7063558","12.0258","0.0005","9.4375","0.0004","25.3166","0.0012","90","","103.74","0.001","90","","2791","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H54 N8 O7 -","- C18 H54 N8 O7 -","- C72 H216 N32 O28 -","4","0.5","","Kuznetsova, Agata; Leonov, Nikita E.; Anikin, Oleg V.; Klenov, Michael S.; Churakov, Aleksandr M.; Strelenko, Yuri A.; Novikov, Roman A.; Fedyanin, Ivan V.; Pivkina, Alla N.; Kon'kova, Tatyana S.; Sinditskii, Valery P.; Smirnova, Anastasia D.; Tartakovsky, Vladimir","Parent 1,4-dihydro-[1,2,3]triazolo[4,5-d][1,2,3]triazole and its derivatives as precursors for the design of promising high energy density materials†","New Journal of Chemistry","2024","","","","","10.1039/D4NJ04427D","","","0.71073","MoKα","","0.0643","0.045","","","0.1108","0.1205","","","","","","1.015","","","","has coordinates,has disorder","296131","2024-11-27","01:28:35",""
"7063559","7.349","0.0002","7.9396","0.0002","10.7583","0.0003","95.085","0.002","92.657","0.002","96.029","0.002","620.82","0.03","100","0.1","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C4 H6 N6 -","- C4 H6 N6 -","- C16 H24 N24 -","4","2","","Kuznetsova, Agata; Leonov, Nikita E.; Anikin, Oleg V.; Klenov, Michael S.; Churakov, Aleksandr M.; Strelenko, Yuri A.; Novikov, Roman A.; Fedyanin, Ivan V.; Pivkina, Alla N.; Kon'kova, Tatyana S.; Sinditskii, Valery P.; Smirnova, Anastasia D.; Tartakovsky, Vladimir","Parent 1,4-dihydro-[1,2,3]triazolo[4,5-d][1,2,3]triazole and its derivatives as precursors for the design of promising high energy density materials†","New Journal of Chemistry","2024","","","","","10.1039/D4NJ04427D","","x-ray","1.54184","CuKα","","0.0441","0.0416","","","0.1043","0.1065","","","","","","1.038","","","","has coordinates","296131","2024-11-27","01:28:36",""
"7063560","10.7292","0.0001","7.5194","0.0001","12.3463","0.0001","90","","96.776","0.001","90","","989.107","0.018","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H13 N7 O -","- C7 H13 N7 O -","- C28 H52 N28 O4 -","4","1","","Kuznetsova, Agata; Leonov, Nikita E.; Anikin, Oleg V.; Klenov, Michael S.; Churakov, Aleksandr M.; Strelenko, Yuri A.; Novikov, Roman A.; Fedyanin, Ivan V.; Pivkina, Alla N.; Kon'kova, Tatyana S.; Sinditskii, Valery P.; Smirnova, Anastasia D.; Tartakovsky, Vladimir","Parent 1,4-dihydro-[1,2,3]triazolo[4,5-d][1,2,3]triazole and its derivatives as precursors for the design of promising high energy density materials†","New Journal of Chemistry","2024","","","","","10.1039/D4NJ04427D","","x-ray","1.54184","CuKα","","0.0392","0.0385","","","0.0969","0.0975","","","","","","1.09","","","","has coordinates","296131","2024-11-27","01:28:36",""
"7063561","6.5074","0.0003","13.053","0.0006","7.7581","0.0004","90","","114.532","0.002","90","","599.49","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2 H3 Cl N6 -","- C2 H3 Cl N6 -","- C8 H12 Cl4 N24 -","4","1","","Kuznetsova, Agata; Leonov, Nikita E.; Anikin, Oleg V.; Klenov, Michael S.; Churakov, Aleksandr M.; Strelenko, Yuri A.; Novikov, Roman A.; Fedyanin, Ivan V.; Pivkina, Alla N.; Kon'kova, Tatyana S.; Sinditskii, Valery P.; Smirnova, Anastasia D.; Tartakovsky, Vladimir","Parent 1,4-dihydro-[1,2,3]triazolo[4,5-d][1,2,3]triazole and its derivatives as precursors for the design of promising high energy density materials†","New Journal of Chemistry","2024","","","","","10.1039/D4NJ04427D","","","0.71073","MoKα","","0.0323","0.0263","","","0.0719","0.0734","","","","","","1.151","","","","has coordinates","296131","2024-11-27","01:28:36",""
"7063562","5.4366","0.0003","8.4565","0.0004","14.4529","0.0008","90","","90.185","0.004","90","","664.46","0.06","150","2","150","2","","","","","","","no","4","P 1 21/c 1","-P 2ybc","14","phosphate","potassium scandium phosphate hydrated","","- K O8 P2 Sc -","- K O8 P2 Sc -","- K4 O32 P8 Sc4 -","4","1","","Topnikova, Anastasia P.; Belokoneva, Elena L.; Dimitrova, Olga V.; Volkov, Anatoly S.; Stefanovich, Sergey Yu.; Maltsev, Viktor V.; Zorina, Leokadiya V.","Hydrated and fluorinated potassium scandium phosphates: topology symmetry analysis and structure prediction","New Journal of Chemistry","2024","","","","","10.1039/D4NJ04229H","","x-ray","0.71073","MoKα","","0.0682","0.0653","","","0.1797","0.1813","","","","","","1.151","","","","has coordinates","296139","2024-11-28","01:10:40",""
"7063563","14.5271","0.0006","8.4948","0.0003","5.4375","0.0002","90","","90","","90","","671.01","0.04","293","2","293","2","","","","","","","no","4","P n a m","-P 2c 2n","62","phosphate","potassium scandium phosphate hydrated","","- K0.5 O4 P Sc0.5 -","- K0.5 O4 P Sc0.5 -","- K4 O32 P8 Sc4 -","8","1","","Topnikova, Anastasia P.; Belokoneva, Elena L.; Dimitrova, Olga V.; Volkov, Anatoly S.; Stefanovich, Sergey Yu.; Maltsev, Viktor V.; Zorina, Leokadiya V.","Hydrated and fluorinated potassium scandium phosphates: topology symmetry analysis and structure prediction","New Journal of Chemistry","2024","","","","","10.1039/D4NJ04229H","","x-ray","0.71073","MoKα","","0.0357","0.033","","","0.0947","0.0974","","","","","","1.108","","","","has coordinates","296139","2024-11-28","01:10:42",""
"7063564","15.6067","0.0009","8.8198","0.0005","11.2063","0.0006","90","","90","","90","","1542.52","0.15","150","2","150","2","","","","","","","no","5","C m c 21","C 2c -2","36","phosphate","potassium scandium fluorinated phosphate","","- F7 K3 O10 P3 Sc3 -","- F7 K3 O10 P3 Sc3 -","- F28 K12 O40 P12 Sc12 -","4","0.5","","Topnikova, Anastasia P.; Belokoneva, Elena L.; Dimitrova, Olga V.; Volkov, Anatoly S.; Stefanovich, Sergey Yu.; Maltsev, Viktor V.; Zorina, Leokadiya V.","Hydrated and fluorinated potassium scandium phosphates: topology symmetry analysis and structure prediction","New Journal of Chemistry","2024","","","","","10.1039/D4NJ04229H","","x-ray","0.71073","MoKα","","0.0643","0.0535","","","0.1174","0.1385","","","","","","1.152","","","","has coordinates","296139","2024-11-28","01:10:42",""
"7063566","25.1793","0.0009","6.2747","0.0001","20.2026","0.0005","90","","103.253","0.003","90","","3106.85","0.15","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C24 H21 Cd N5 O9 -","- C24 H21 Cd N5 O9 -","- C96 H84 Cd4 N20 O36 -","4","1","","Arya, Kushal; Mehra, Sanjay; Kumar, Ajay; Saini, Vaneet; Kumar, Arvind; Mehta, Surinder Kumar; Kataria, Ramesh","Comparative study of luminescent Cd-MOF and Cd-MOF@HNT nanomaterials for the detection of hydroxyl-functionalized nitroaromatic compounds","New Journal of Chemistry","2024","48","47","20018","20033","10.1039/D4NJ04352A","","x-ray","0.71073","MoKα","","0.0575","0.0411","","","0.0943","0.1022","","","","","","0.993","","","","has coordinates","296230","2024-12-05","17:15:38",""
"7063569","11.8334","0.0005","17.227","0.0007","8.0612","0.0003","90","","98.576","0.004","90","","1624.93","0.11","301.2","0.1","301.2","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C16 H30 Cl2 I6 N2 O2 Pb2 -","- C16 H30 Cl2 I6 N2 O2 Pb2 -","- C32 H60 Cl4 I12 N4 O4 Pb4 -","2","1","","Hu, Hui-Yi; Xu, Ya-Xin; Yuan, Shu-Ting; Ma, Jing-Yang; Xia, Guang; Shi, Shu-Ting; Zhou, Zi-Xiong; Yuan, Jin bin; Yu, Li-De","Halogen engineering tuned band gap and structural phase transition in lead iodide hybrid perovskite semiconductor","New Journal of Chemistry","2024","","","","","10.1039/D4NJ04595E","","x-ray","0.71073","MoKα","","0.0532","0.0368","","","0.0832","0.0882","","","","","","0.954","","","","has coordinates","296248","2024-12-06","01:17:31",""
"7063570","8.0496","0.0004","9.9774","0.0005","21.0802","0.0013","90","","94.908","0.005","90","","1686.83","0.16","301.18","0.1","301.18","0.1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C8 H15 I4 N O Pb -","- C8 H15 I4 N O Pb -","- C32 H60 I16 N4 O4 Pb4 -","4","1","","Hu, Hui-Yi; Xu, Ya-Xin; Yuan, Shu-Ting; Ma, Jing-Yang; Xia, Guang; Shi, Shu-Ting; Zhou, Zi-Xiong; Yuan, Jin bin; Yu, Li-De","Halogen engineering tuned band gap and structural phase transition in lead iodide hybrid perovskite semiconductor","New Journal of Chemistry","2024","","","","","10.1039/D4NJ04595E","","x-ray","0.71073","MoKα","","0.0476","0.0375","","","0.0927","0.0966","","","","","","1.01","","","","has coordinates","296248","2024-12-06","01:17:32",""
"7063571","17.9058","0.001","8.079","0.0004","23.1217","0.0011","90","","90","","90","","3344.8","0.3","286.9","0.3","286.9","0.3","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 Br2 I6 N2 O2 Pb2 -","- C16 H28 Br2 I6 N2 O2 Pb2 -","- C64 H112 Br8 I24 N8 O8 Pb8 -","4","1","","Hu, Hui-Yi; Xu, Ya-Xin; Yuan, Shu-Ting; Ma, Jing-Yang; Xia, Guang; Shi, Shu-Ting; Zhou, Zi-Xiong; Yuan, Jin bin; Yu, Li-De","Halogen engineering tuned band gap and structural phase transition in lead iodide hybrid perovskite semiconductor","New Journal of Chemistry","2024","","","","","10.1039/D4NJ04595E","","x-ray","0.71073","MoKα","","0.0975","0.0712","","","0.1972","0.2136","","","","","","0.983","","","","has coordinates","296248","2024-12-06","01:17:32",""
"7132385","18.802","0.0002","17.9299","0.0002","22.3674","0.0002","90","","90","","90","","7540.45","0.13","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H66 Ni P2 -","- C42 H66 Ni P2 -","- C336 H528 Ni8 P16 -","8","1","","Lin, Lirong; Tresp, David S.; Spasyuk, Denis M.; Lalancette, Roger A.; Prokopchuk, Demyan E.","Accessing Ni(0) to Ni(IV) <i>via</i> nickel-carbon-phosphorus bond reorganization.","Chemical communications (Cambridge, England)","2024","60","6","674","677","10.1039/d3cc04687g","","x-ray","1.54184","CuKα","","0.0494","0.0387","","","0.0922","0.0997","","","","","","1.039","","","","has coordinates","289359","2024-02-04","11:14:41",""
"7132386","14.818","0.0003","16.711","0.0003","19.124","0.0005","94.76","0.002","90.21","0.002","90.44","0.002","4719.04","0.18","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C90 H66 B2 F40 Ni P2 -","- C90 H66 B2 F40 Ni P2 -","- C180 H132 B4 F80 Ni2 P4 -","2","1","","Lin, Lirong; Tresp, David S.; Spasyuk, Denis M.; Lalancette, Roger A.; Prokopchuk, Demyan E.","Accessing Ni(0) to Ni(IV) <i>via</i> nickel-carbon-phosphorus bond reorganization.","Chemical communications (Cambridge, England)","2024","60","6","674","677","10.1039/d3cc04687g","","","1.54184","CuKα","","0.1752","0.1558","","","0.3887","0.4047","","","","","","1.028","","","","has coordinates,has disorder","289359","2024-02-04","11:14:41",""
"7132403","11.0196","0.0003","11.9729","0.0003","12.4127","0.0003","68.202","0.003","71.011","0.003","87.557","0.002","1432.13","0.08","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H33 N O2 S -","- C36 H33 N O2 S -","- C72 H66 N2 O4 S2 -","2","1","","Gharpure, Santosh J.; Kumari, Sanyog","Cascade radical cyclization on 3-propargyl-2-alkenyl indole gives stereoselective access to cyclohepta[<i>b</i>]indole over carbazole.","Chemical communications (Cambridge, England)","2024","60","5","538","541","10.1039/d3cc05237k","","x-ray","0.71073","MoKα","","0.0527","0.0416","","","0.0989","0.1053","","","","","","1.041","","","","has coordinates","289337","2024-02-04","11:07:06",""
"7132404","19.4285","0.0018","11.6342","0.0008","16.4121","0.0014","90","","113.21","0.01","90","","3409.5","0.6","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H35 N O4 S2 -","- C41 H35 N O4 S2 -","- C164 H140 N4 O16 S8 -","4","1","","Gharpure, Santosh J.; Kumari, Sanyog","Cascade radical cyclization on 3-propargyl-2-alkenyl indole gives stereoselective access to cyclohepta[<i>b</i>]indole over carbazole.","Chemical communications (Cambridge, England)","2024","60","5","538","541","10.1039/d3cc05237k","","x-ray","0.71073","MoKα","","0.1321","0.0748","","","0.1893","0.2547","","","","","","0.968","","","","has coordinates","289337","2024-02-04","11:07:06",""
"7132405","13.651","0.003","8.9231","0.0012","22.78","0.003","90","","95.384","0.015","90","","2762.6","0.8","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H30 N2 O2 S -","- C35 H30 N2 O2 S -","- C140 H120 N8 O8 S4 -","4","1","","Gharpure, Santosh J.; Kumari, Sanyog","Cascade radical cyclization on 3-propargyl-2-alkenyl indole gives stereoselective access to cyclohepta[<i>b</i>]indole over carbazole.","Chemical communications (Cambridge, England)","2024","60","5","538","541","10.1039/d3cc05237k","","x-ray","0.71073","MoKα","","0.1738","0.0979","","","0.225","0.2881","","","","","","1.015","","","","has coordinates","289337","2024-02-04","11:07:06",""
"7132406","10.4151","0.0005","11.5788","0.0008","12.6011","0.0009","95.743","0.006","112.337","0.006","116.102","0.006","1195.11","0.18","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H25 N S -","- C32 H25 N S -","- C64 H50 N2 S2 -","2","1","","Gharpure, Santosh J.; Kumari, Sanyog","Cascade radical cyclization on 3-propargyl-2-alkenyl indole gives stereoselective access to cyclohepta[<i>b</i>]indole over carbazole.","Chemical communications (Cambridge, England)","2024","60","5","538","541","10.1039/d3cc05237k","","x-ray","0.71073","MoKα","","0.0762","0.0484","","","0.1193","0.1353","","","","","","1.047","","","","has coordinates","289337","2024-02-04","11:07:06",""
"7132407","10.5565","0.0003","17.7776","0.0007","19.8243","0.0008","72.058","0.003","79.538","0.003","73.177","0.003","3370.5","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H35 N O4 S2 -","- C41 H35 N O4 S2 -","- C164 H140 N4 O16 S8 -","4","2","","Gharpure, Santosh J.; Kumari, Sanyog","Cascade radical cyclization on 3-propargyl-2-alkenyl indole gives stereoselective access to cyclohepta[<i>b</i>]indole over carbazole.","Chemical communications (Cambridge, England)","2024","60","5","538","541","10.1039/d3cc05237k","","x-ray","0.71073","MoKα","","0.0919","0.0594","","","0.1173","0.1433","","","","","","1.031","","","","has coordinates","296876","2024-12-16","17:34:43",""
"7132408","10.3514","0.0006","27.898","0.002","15.1231","0.0011","90","","101.799","0.007","90","","4275","0.5","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H33 F5 N2 O4 S2 -","- C44 H33 F5 N2 O4 S2 -","- C176 H132 F20 N8 O16 S8 -","4","1","","Gharpure, Santosh J.; Kumari, Sanyog","Cascade radical cyclization on 3-propargyl-2-alkenyl indole gives stereoselective access to cyclohepta[<i>b</i>]indole over carbazole.","Chemical communications (Cambridge, England)","2024","60","5","538","541","10.1039/d3cc05237k","","x-ray","0.71073","MoKα","","0.1792","0.0985","","","0.2581","0.3464","","","","","","1.029","","","","has coordinates","289337","2024-02-04","11:07:06",""
"7132409","12.669","0.003","12.856","0.003","13.378","0.003","95.35","0.03","113.56","0.03","111.6","0.03","1781.6","1.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H42 N2 -","- C48 H42 N2 -","- C96 H84 N4 -","2","1","","Gentile, Giuseppe; Bartolomei, Beatrice; Dosso, Jacopo; Demitri, Nicola; Filippini, Giacomo; Prato, Maurizio","Synthesis of a novel tetra-phenol π-extended phenazine and its application as an organo-photocatalyst.","Chemical communications (Cambridge, England)","2024","60","5","602","605","10.1039/d3cc05176e","","","0.6199","Synchrotron","","0.1607","0.0684","","","0.1479","0.1862","","","","","","0.958","","","","has coordinates","289338","2024-02-04","11:07:32",""
"7132410","19.373","0.004","17.608","0.004","23.058","0.005","90","","92.25","0.03","90","","7859","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C51 H48.75 Cl0.75 N2 -","- C48 H42 N2 -","- C384 H336 N16 -","8","2","","Gentile, Giuseppe; Bartolomei, Beatrice; Dosso, Jacopo; Demitri, Nicola; Filippini, Giacomo; Prato, Maurizio","Synthesis of a novel tetra-phenol π-extended phenazine and its application as an organo-photocatalyst.","Chemical communications (Cambridge, England)","2024","60","5","602","605","10.1039/d3cc05176e","","","0.6199","Synchrotron","","0.1434","0.0747","","","0.2024","0.2423","","","","","","1.016","","","","has coordinates","289338","2024-02-04","11:07:33",""
"7132412","8.0807","0.0002","11.4488","0.0003","13.0502","0.0004","75.453","0.002","79.894","0.002","79.458","0.002","1138.21","0.06","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H10 N2 O -","- C16 H10 N2 O -","- C64 H40 N8 O4 -","4","2","","Nipate, Dhananjay S.; Meena, Neha; Swami, Prakash N.; Rangan, Krishnan; Kumar, Anil","Rh(III)-catalyzed oxidative [4+2] annulation of 2-arylquinoxalines and 2-aryl-2<i>H</i>-indazoles with allyl alcohols.","Chemical communications (Cambridge, England)","2024","60","3","344","347","10.1039/d3cc04600a","","x-ray","1.54184","CuKα","","0.044","0.0395","","","0.1073","0.1105","","","","","","1.066","","","","has coordinates","289391","2024-02-04","11:24:20",""
"7132413","6.0915","0.0003","10.7543","0.0004","17.1562","0.0008","100.087","0.003","92.581","0.003","102.264","0.002","1077.32","0.08","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H26 O2 -","- C30 H26 O2 -","- C60 H52 O4 -","2","1","","Garbini, Mauro; Brunetti, Andrea; Pedrazzani, Riccardo; Monari, Magda; Marcaccio, Massimo; Bertuzzi, Giulio; Bandini, Marco","Reductive cyclodimerization of chalcones: exploring the ""self-adaptability"" of galvanostatic electrosynthesis.","Chemical communications (Cambridge, England)","2024","60","4","404","407","10.1039/d3cc04920e","","","1.54178","CuKα","","0.0659","0.054","","","0.155","0.167","","","","","","1.258","","","","has coordinates","289347","2024-02-04","11:10:17",""
"7132414","20.754","0.0016","5.945","0.0005","24.1084","0.0019","90","","112.709","0.002","90","","2744","0.4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33 H34 O3 -","- C33 H34 O3 -","- C132 H136 O12 -","4","1","","Garbini, Mauro; Brunetti, Andrea; Pedrazzani, Riccardo; Monari, Magda; Marcaccio, Massimo; Bertuzzi, Giulio; Bandini, Marco","Reductive cyclodimerization of chalcones: exploring the ""self-adaptability"" of galvanostatic electrosynthesis.","Chemical communications (Cambridge, England)","2024","60","4","404","407","10.1039/d3cc04920e","","","0.71073","MoKα","","0.1171","0.0982","","","0.216","0.2272","","","","","","1.139","","","","has coordinates","289347","2024-02-04","11:10:18",""
"7132415","6.574","0.0003","6.7445","0.0003","9.8903","0.0005","70.105","0.002","78.877","0.002","61.726","0.002","362.88","0.03","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- B4 O9 Pb Te -","- B4 O9 Pb Te -","- B8 O18 Pb2 Te2 -","2","1","","Zhang, Ruonan; Tudi, Abudukadi; Yang, Xia; Wang, Xuping; Yang, Zhihua; Han, Shujuan; Pan, Shilie","PbTeB<sub>4</sub>O<sub>9</sub>: a lead tellurium borate with unprecedented fundamental building block [B<sub>4</sub>O<sub>10</sub>] and large birefringence.","Chemical communications (Cambridge, England)","2024","60","3","340","343","10.1039/d3cc05382b","","","0.71073","MoKα","","0.0225","0.0214","","","0.0473","0.0481","","","","","","1.112","","","","has coordinates","289392","2024-02-04","11:24:28",""
"7132418","13.3084","0.0001","13.3384","0.0003","17.3783","0.0003","90.036","0.001","109.162","0.001","110.969","0.001","2696.47","0.08","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C52 H60 D12 I2 Mo3 S4 U -","- C52 H60 D12 I2 Mo3 S4 U -","- C104 H120 D24 I4 Mo6 S8 U2 -","2","1","","Patra, Kamaless; Brennessel, William W.; Matson, Ellen M.","Molybdenum sulphide clusters as redox-active supports for low-valent uranium.","Chemical communications (Cambridge, England)","2024","60","5","530","533","10.1039/d3cc05561b","","x-ray","1.54184","CuKα","","0.0294","0.0284","","","0.0717","0.0722","","","","","","1.086","","","","has coordinates,has disorder","289342","2024-02-04","11:08:39",""
"7132419","11.0151","0.0001","20.2686","0.0001","24.6766","0.0002","90","","90","","90","","5509.31","0.07","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C59 H78 Mo3 N2 S4 U -","- C59 H78 Mo3 N2 S4 U -","- C236 H312 Mo12 N8 S16 U4 -","4","1","","Patra, Kamaless; Brennessel, William W.; Matson, Ellen M.","Molybdenum sulphide clusters as redox-active supports for low-valent uranium.","Chemical communications (Cambridge, England)","2024","60","5","530","533","10.1039/d3cc05561b","","x-ray","1.54184","CuKα","","0.0403","0.0379","","","0.0922","0.0933","","","","","","1.11","","","","has coordinates","289342","2024-02-04","11:08:40",""
"7132420","11.2243","0.00009","20.51803","0.00014","21.54896","0.00019","79.9966","0.0007","75.1189","0.0007","87.6951","0.0006","4723.32","0.07","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H60 I Mo3 S4 U -","- C40 H60 I Mo3 S4 U -","- C160 H240 I4 Mo12 S16 U4 -","4","2","","Patra, Kamaless; Brennessel, William W.; Matson, Ellen M.","Molybdenum sulphide clusters as redox-active supports for low-valent uranium.","Chemical communications (Cambridge, England)","2024","60","5","530","533","10.1039/d3cc05561b","","x-ray","1.54184","CuKα","","0.0475","0.0445","","","0.1239","0.1261","","","","","","1.039","","","","has coordinates","289342","2024-02-04","11:08:40",""
"7132423","20.8975","0.0008","9.037","0.0002","31.2449","0.0014","90","","108.922","0.005","90","","5581.8","0.4","170","0.1","170","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C30 H25 Br2 N3 O4 S -","- C30 H25 Br2 N3 O4 S -","- C240 H200 Br16 N24 O32 S8 -","8","1","","Feng, Guang-Chao; Li, Jun-Chi; Huang, Xiang; Liu, Ji-Kai; Wu, Bin; Yang, Jin-Ming","Cascade hydroarylation/Diels-Alder cycloaddition of alkynylindoles with electron-deficient alkynes and alkenes.","Chemical communications (Cambridge, England)","2024","60","3","328","331","10.1039/d3cc05210a","","x-ray","1.54184","CuKα","","0.0889","0.0558","","","0.1267","0.1434","","","","","","1.026","","","","has coordinates","289390","2024-02-04","11:24:12",""
"7132424","24.2953","0.0006","24.2953","0.0006","16.7274","0.0008","90","","90","","90","","9873.5","0.6","113.15","","113.15","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C24 H21 Cl N2 O2 S -","- C24 H21 Cl N2 O2 S -","- C384 H336 Cl16 N32 O32 S16 -","16","1","","Zhou, Pan; Wu, Senhui; Niu, Kaikai; Song, Hongjian; Liu, Yuxiu; Zhang, Jingjing; Wang, Qingmin","Intramolecular trapping of an iminium salt: rapid construction of quindoline derivatives.","Chemical communications (Cambridge, England)","2024","60","3","292","295","10.1039/d3cc05143a","","x-ray","0.71073","MoKα","","0.1126","0.0934","","","0.2617","0.2778","","","","","","1.061","","","","has coordinates","289393","2024-02-04","11:24:40",""
"7132425","13.7564","0.0001","17.4685","0.0001","25.0576","0.0002","86.19","0.001","81.914","0.001","67.772","0.001","5517.96","0.08","105","8","105.15","","","","","","","","","8","P -1","-P 1","2","","","","- C56.5 H47 Cl F6 N4 O5.5 P Ru -","- C56.5 H47 Cl F6 N4 O5.5 P Ru -","- C226 H188 Cl4 F24 N16 O22 P4 Ru4 -","4","2","","Wang, Rui; Pan, Yunling; Feng, Sushan; Liang, Chenyi; Xie, Jianhui; Lau, Tai-Chu; Liu, Yingying","Structure and reactivity of a seven-coordinate ruthenium acylperoxo complex.","Chemical communications (Cambridge, England)","2024","60","3","312","315","10.1039/d3cc04751b","","","1.54184","CuKα","","0.0699","0.067","","","0.1859","0.1888","","","","","","1.026","","","","has coordinates","289389","2024-02-04","11:24:02",""
"7132426","6.459","0.003","26.872","0.012","13.342","0.005","90","","98.252","0.009","90","","2291.7","1.7","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N3 O -","- C24 H23 N3 O -","- C96 H92 N12 O4 -","4","1","","Chen, Longkun; Zhang, Mingshuai; Liu, Meichen; Liu, Zhuoyuan; Qiu, Yuetong; Zhang, Zhilai; Yu, Fuchao; Huang, Jiuzhong","Rh(III)-catalyzed selective mono- and dual-functionalization/cyclization of 1-aryl-5-aminopyrazoles with iodonium ylides.","Chemical communications (Cambridge, England)","2024","60","4","432","435","10.1039/d3cc05266d","","","0.71073","MoKα","","0.1607","0.0755","","","0.1935","0.2423","","","","","","0.917","","","","has coordinates","289345","2024-02-04","11:09:50",""
"7132427","9.915","0.003","13.033","0.004","14.176","0.004","113.225","0.005","97.316","0.005","101.109","0.006","1609.3","0.8","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H36 Br N3 O4 S -","- C33 H36 Br N3 O4 S -","- C66 H72 Br2 N6 O8 S2 -","2","1","","Chen, Longkun; Zhang, Mingshuai; Liu, Meichen; Liu, Zhuoyuan; Qiu, Yuetong; Zhang, Zhilai; Yu, Fuchao; Huang, Jiuzhong","Rh(III)-catalyzed selective mono- and dual-functionalization/cyclization of 1-aryl-5-aminopyrazoles with iodonium ylides.","Chemical communications (Cambridge, England)","2024","60","4","432","435","10.1039/d3cc05266d","","","0.71073","MoKα","","0.1135","0.0604","","","0.1434","0.1691","","","","","","1.009","","","","has coordinates","289345","2024-02-04","11:09:50",""
"7132428","11.0303","0.0009","16.4864","0.0013","15.3533","0.0012","90","","92.425","0.002","90","","2789.5","0.4","243","2","243","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(ButCOO)2W(PMe3)3H2","","","- C19 H47 O4 P3 W -","- C19 H47 O4 P3 W -","- C76 H188 O16 P12 W4 -","4","1","","Ju, Shaoying; Zhang, Chi; Tang, Beili; Liu, Liu Leo; Stephan, Douglas W.; Wu, Yile","The Lewis superacidic aluminium cation: [(NHC)Al(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sup/>.","Chemical communications (Cambridge, England)","2024","60","6","698","701","10.1039/d3cc05440c","","","0.71073","MoKα","","0.029","0.0244","","","0.0629","0.0652","","","","","","0.989","","","","has coordinates","289358","2024-02-04","11:14:21",""
"7132429","14.4808","0.0011","12.6637","0.0009","20.244","0.0014","90","","90","","90","","3712.4","0.5","260","","260","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C39 H36 Al F11 N2 -","- C39 H36 Al F11 N2 -","- C156 H144 Al4 F44 N8 -","4","1","","Ju, Shaoying; Zhang, Chi; Tang, Beili; Liu, Liu Leo; Stephan, Douglas W.; Wu, Yile","The Lewis superacidic aluminium cation: [(NHC)Al(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sup/>.","Chemical communications (Cambridge, England)","2024","60","6","698","701","10.1039/d3cc05440c","","","1.54178","CuKα","","0.068","0.0564","","","0.1304","0.1391","","","","","","1.092","","","","has coordinates","289358","2024-02-04","11:14:21",""
"7132430","12.8701","0.0005","14.0245","0.0006","21.8859","0.0009","75.193","0.002","78.87","0.002","70.815","0.002","3581.2","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C77 H52 Al B F30 N2 -","- C77 H52 Al B F30 N2 -","- C154 H104 Al2 B2 F60 N4 -","2","1","","Ju, Shaoying; Zhang, Chi; Tang, Beili; Liu, Liu Leo; Stephan, Douglas W.; Wu, Yile","The Lewis superacidic aluminium cation: [(NHC)Al(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sup/>.","Chemical communications (Cambridge, England)","2024","60","6","698","701","10.1039/d3cc05440c","","","1.54178","CuKα","","0.0719","0.0642","","","0.1643","0.1694","","","","","","1.049","","","","has coordinates,has disorder","289358","2024-02-04","11:14:21",""
"7132431","18.2366","0.0007","12.6216","0.0004","30.5952","0.0012","90","","94.208","0.002","90","","7023.3","0.4","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75.45 H48.2 Al B F31 N2 -","- C75.45 H48.2 Al B F31 N2 -","- C301.8 H192.8 Al4 B4 F124 N8 -","4","1","","Ju, Shaoying; Zhang, Chi; Tang, Beili; Liu, Liu Leo; Stephan, Douglas W.; Wu, Yile","The Lewis superacidic aluminium cation: [(NHC)Al(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sup/>.","Chemical communications (Cambridge, England)","2024","60","6","698","701","10.1039/d3cc05440c","","","1.54178","CuKα","","0.0693","0.051","","","0.1437","0.1556","","","","","","1.036","","","","has coordinates,has disorder","289358","2024-02-04","11:14:21",""
"7132432","58.9625","0.0013","12.3783","0.0003","42.5423","0.0017","90","","132.777","0.001","90","","22790.6","1.2","200","2","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C123 H96 Al2 B F40 N7 -","- C123 H96 Al2 B F40 N7 -","- C984 H768 Al16 B8 F320 N56 -","8","1","","Ju, Shaoying; Zhang, Chi; Tang, Beili; Liu, Liu Leo; Stephan, Douglas W.; Wu, Yile","The Lewis superacidic aluminium cation: [(NHC)Al(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sup/>.","Chemical communications (Cambridge, England)","2024","60","6","698","701","10.1039/d3cc05440c","","","1.54178","CuKα","","0.0567","0.0411","","","0.111","0.121","","","","","","1.045","","","","has coordinates,has disorder","289358","2024-02-04","11:14:21",""
"7132433","9.5876","0.0005","11.2736","0.0005","10.0616","0.0005","90","","90","","90","","1087.53","0.09","293","2","293","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- C8 H30 B20 -","- C8 H30 B20 -","- C16 H60 B40 -","2","0.25","","Chen, Feijing; Guo, Wenjing; Ma, Yan-Na; Chen, Xuenian","9,9'-Bis-<i>o</i>-carboranes: synthesis and exploration of properties.","Chemical communications (Cambridge, England)","2024","60","5","614","617","10.1039/d3cc05041f","","x-ray","1.54184","CuKα","","0.0669","0.0603","","","0.175","0.1858","","","","","","1.042","","","","has coordinates,has disorder","289336","2024-02-04","11:06:44",""
"7132434","13.41936","0.00017","25.17","0.0003","25.1694","0.0003","90","","90","","90","","8501.35","0.18","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C4 H20 B20 Cl2 O0.06 -","- C4.375 H19.5 B20 Cl3 -","- C70 H312 B320 Cl48 -","16","2","","Chen, Feijing; Guo, Wenjing; Ma, Yan-Na; Chen, Xuenian","9,9'-Bis-<i>o</i>-carboranes: synthesis and exploration of properties.","Chemical communications (Cambridge, England)","2024","60","5","614","617","10.1039/d3cc05041f","","x-ray","1.54184","CuKα","","0.0798","0.0708","","","0.2022","0.2143","","","","","","1.053","","","","has coordinates,has disorder","289336","2024-02-04","11:06:44",""
"7132435","12.3573","0.0003","12.905","0.0003","13.124","0.0003","90","","112.213","0.003","90","","1937.57","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H22 B20 O2 -","- C4 H22 B20 O2 -","- C16 H88 B80 O8 -","4","1","","Chen, Feijing; Guo, Wenjing; Ma, Yan-Na; Chen, Xuenian","9,9'-Bis-<i>o</i>-carboranes: synthesis and exploration of properties.","Chemical communications (Cambridge, England)","2024","60","5","614","617","10.1039/d3cc05041f","","x-ray","1.54184","CuKα","","0.08","0.0675","","","0.1854","0.2037","","","","","","1.035","","","","has coordinates","289336","2024-02-04","11:06:44",""
"7132436","6.9432","0.0003","10.0433","0.0005","12.6587","0.0006","90","","97.066","0.004","90","","876.02","0.07","149.99","0.1","149.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C2 H11 B10 -","- C2 H11 B10 -","- C8 H44 B40 -","4","1","","Chen, Feijing; Guo, Wenjing; Ma, Yan-Na; Chen, Xuenian","9,9'-Bis-<i>o</i>-carboranes: synthesis and exploration of properties.","Chemical communications (Cambridge, England)","2024","60","5","614","617","10.1039/d3cc05041f","","x-ray","1.54184","CuKα","","0.0716","0.0659","","","0.1841","0.1896","","","","","","1.084","","","","has coordinates","289336","2024-02-04","11:06:44",""
"7132437","20.2379","0.0007","7.7225","0.0002","18.3961","0.0006","90","","96.014","0.003","90","","2859.25","0.16","293","2","293","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C20 H34 B20 -","- C20 H34 B20 -","- C80 H136 B80 -","4","1","","Chen, Feijing; Guo, Wenjing; Ma, Yan-Na; Chen, Xuenian","9,9'-Bis-<i>o</i>-carboranes: synthesis and exploration of properties.","Chemical communications (Cambridge, England)","2024","60","5","614","617","10.1039/d3cc05041f","","x-ray","1.54184","CuKα","","0.1137","0.0988","","","0.2969","0.3124","","","","","","1.066","","","","has coordinates","289336","2024-02-04","11:06:44",""
"7132438","9.2397","0.0004","17.1741","0.0007","12.2399","0.0005","90","","109.52","0.005","90","","1830.64","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H54 B20 Si4 -","- C16 H54 B20 Si4 -","- C32 H108 B40 Si8 -","2","0.5","","Chen, Feijing; Guo, Wenjing; Ma, Yan-Na; Chen, Xuenian","9,9'-Bis-<i>o</i>-carboranes: synthesis and exploration of properties.","Chemical communications (Cambridge, England)","2024","60","5","614","617","10.1039/d3cc05041f","","x-ray","1.54184","CuKα","","0.0587","0.0491","","","0.1294","0.1406","","","","","","1.053","","","","has coordinates","289336","2024-02-04","11:06:44",""
"7132439","10.7318","0.0003","13.0844","0.0004","18.4673","0.0005","89.977","0.002","78.418","0.002","88.417","0.002","2539.36","0.13","169.99","0.1","169.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H84 B38 N2 -","- C24 H84 B38 N2 -","- C48 H168 B76 N4 -","2","1","","Chen, Feijing; Guo, Wenjing; Ma, Yan-Na; Chen, Xuenian","9,9'-Bis-<i>o</i>-carboranes: synthesis and exploration of properties.","Chemical communications (Cambridge, England)","2024","60","5","614","617","10.1039/d3cc05041f","","x-ray","1.54184","CuKα","","0.0771","0.0628","","","0.174","0.1828","","","","","","1.041","","","","has coordinates,has disorder","289336","2024-02-04","11:06:44",""
"7132440","11.2612","0.0005","17.2885","0.001","18.0579","0.0011","85.761","0.005","87.21","0.004","82.019","0.004","3469.5","0.3","297","","297","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H62 B18 N2 -","- C20 H62 B18 N2 -","- C80 H248 B72 N8 -","4","2","","Chen, Feijing; Guo, Wenjing; Ma, Yan-Na; Chen, Xuenian","9,9'-Bis-<i>o</i>-carboranes: synthesis and exploration of properties.","Chemical communications (Cambridge, England)","2024","60","5","614","617","10.1039/d3cc05041f","","x-ray","1.54184","CuKα","","0.1235","0.0877","","","0.2596","0.3026","","","","","","1.036","","","","has coordinates,has disorder","289336","2024-02-04","11:06:44",""
"7132441","7.0876","0.0001","9.0701","0.0001","22.1771","0.0001","93.434","0.001","95.177","0.001","94.89","0.001","1411.39","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H32 N5 O14.5 -","- C23 H23 N5 O10 -","- C46 H46 N10 O20 -","2","1","","Almuhana, Asia R. Y.; Orton, Georgia R. F.; Rosenberg, Callum; Champness, Neil R.","Photoinduced radical formation in hydrogen-bonded organic frameworks.","Chemical communications (Cambridge, England)","2024","60","4","452","455","10.1039/d3cc05236b","","","1.54178","CuKα","","0.0606","0.0558","","","0.162","0.167","","","","","","1.039","","","","has coordinates,has disorder","289346","2024-02-04","11:10:03",""
"7132442","7.843","0.0004","19.3052","0.0012","23.3588","0.0007","88.568","0.005","81.294","0.004","86.534","0.005","3489.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","HOF_C","","- C54 H78 N13 O36 -","- C54 H44 N13 O19 -","- C108 H88 N26 O38 -","2","1","","Almuhana, Asia R. Y.; Orton, Georgia R. F.; Rosenberg, Callum; Champness, Neil R.","Photoinduced radical formation in hydrogen-bonded organic frameworks.","Chemical communications (Cambridge, England)","2024","60","4","452","455","10.1039/d3cc05236b","","","0.6889","Synchrotron","","0.3195","0.1372","","","0.3187","0.3727","","","","","","0.802","","","","has coordinates","289346","2024-02-04","11:10:04",""
"7132443","7.1361","0.0001","9.0655","0.0001","20.9919","0.0003","88.41","0.001","87.473","0.001","83.432","0.001","1347.44","0.03","99.98","0.1","100.15","","","","","","","","","4","P -1","-P 1","2","","HOF_2","","- C27 H29 N6 O11 -","- C27 H29 N6 O11 -","- C54 H58 N12 O22 -","2","1","","Almuhana, Asia R. Y.; Orton, Georgia R. F.; Rosenberg, Callum; Champness, Neil R.","Photoinduced radical formation in hydrogen-bonded organic frameworks.","Chemical communications (Cambridge, England)","2024","60","4","452","455","10.1039/d3cc05236b","","","1.54184","CuKα","","0.0399","0.0384","","","0.1038","0.1048","","","","","","1.051","","","","has coordinates","289346","2024-02-04","11:10:04",""
"7132444","6.3722","0.0005","13.4572","0.0011","14.9777","0.0014","66.406","0.008","89.765","0.007","84.766","0.006","1171.35","0.19","101","1","101","1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C48 H36 N4 O2 -","2","1","","Bhoi, Saswat Ranjan; Debnath, Chhanda; Gandhi, Shikha","Pd/Brønsted acid catalysed intramolecular <i>N</i>-allylation of indoles and pyrroles with alkynes for the synthesis of N-fused heterocycles.","Chemical communications (Cambridge, England)","2024","60","4","428","431","10.1039/d3cc05023h","","x-ray","0.71073","MoKα","","0.0617","0.0492","","","0.1481","0.1556","","","","","","1.074","","","","has coordinates","289344","2024-02-04","11:09:40",""
"7132445","8.0868","0.0012","6.9699","0.001","10.0387","0.0015","90","","90.595","0.002","90","","565.79","0.14","296.15","","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H12 O2 -","- C15 H12 O2 -","- C30 H24 O4 -","2","1","","Zhang, Xu; Wang, Di; Chang, Mengfan; Xu, Xuefeng; Li, Wenguang; Wang, Wanya","Pd(II)-Catalyzed tandem selective dehydrogenative [4+2] annulation of 2-methyl-1,3-cycloalkanediones with olefins.","Chemical communications (Cambridge, England)","2024","60","5","594","597","10.1039/d3cc05191a","","","0.71073","MoKα","","0.0541","0.0493","","","0.1395","0.1448","","","","","","1.067","","","","has coordinates","289335","2024-02-04","11:06:20",""
"7132446","15.586","0.005","21.146","0.006","9.659","0.003","90","","90.83","0.006","90","","3183.1","1.7","296.15","","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 O2 -","- C22 H16 O2 -","- C176 H128 O16 -","8","2","","Zhang, Xu; Wang, Di; Chang, Mengfan; Xu, Xuefeng; Li, Wenguang; Wang, Wanya","Pd(II)-Catalyzed tandem selective dehydrogenative [4+2] annulation of 2-methyl-1,3-cycloalkanediones with olefins.","Chemical communications (Cambridge, England)","2024","60","5","594","597","10.1039/d3cc05191a","","","0.71073","MoKα","","0.2007","0.1203","","","0.3299","0.3739","","","","","","1.055","","","","has coordinates","289335","2024-02-04","11:06:20",""
"7132447","30.7988","0.0015","4.6614","0.0003","22.7529","0.0015","90","","94.524","0.005","90","","3256.4","0.3","150","0.16","150","0.16","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H13 Cl2 N O3 -","- C18 H13 Cl2 N O3 -","- C144 H104 Cl16 N8 O24 -","8","1","","Liu, Jing; Liu, Deng-Yin; Yang, Qian; Zeng, Yao-Fu; Wang, Xiao-Li; Wang, Peng-Fei; Ruan, Yu-Jun; Wen, Miao-Miao; Zhang, Shang-Shi; Du, Li-da; Liu, Xu-Ge","Cp*Rh(III)-catalyzed regioselective cyclization of aromatic amides with allenes.","Chemical communications (Cambridge, England)","2024","60","5","598","601","10.1039/d3cc05342c","","x-ray","0.71073","MoKα","","0.0481","0.0392","","","0.09","0.097","","","","","","1.061","","","","has coordinates","289334","2024-02-04","11:06:04",""
"7132448","5.3629","0.0004","17.7232","0.0015","18.1847","0.0018","90","","94.638","0.008","90","","1722.8","0.3","150","0.18","150","0.18","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Br N2 O3 -","- C20 H15 Br N2 O3 -","- C80 H60 Br4 N8 O12 -","4","1","","Liu, Jing; Liu, Deng-Yin; Yang, Qian; Zeng, Yao-Fu; Wang, Xiao-Li; Wang, Peng-Fei; Ruan, Yu-Jun; Wen, Miao-Miao; Zhang, Shang-Shi; Du, Li-da; Liu, Xu-Ge","Cp*Rh(III)-catalyzed regioselective cyclization of aromatic amides with allenes.","Chemical communications (Cambridge, England)","2024","60","5","598","601","10.1039/d3cc05342c","","x-ray","1.54184","CuKα","","0.1268","0.0913","","","0.2469","0.2834","","","","","","1.046","","","","has coordinates","289334","2024-02-04","11:06:05",""
"7132449","9.1689","0.0006","16.185","0.0009","22.5667","0.0013","90","","94.33","0.003","90","","3339.3","0.3","100","","100","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 Cl2 Ge N4 -","- C28 H36 Cl2 Ge N4 -","- C112 H144 Cl8 Ge4 N16 -","4","1","","Eisner, Teresa; Kostenko, Arseni; J Kiefer, Fiona; Inoue, Shigeyoshi","Synthesis and isolation of a cyclic bis-vinyl germylene <i>via</i> a diazoolefin adduct of germylene dichloride.","Chemical communications (Cambridge, England)","2024","60","5","558","561","10.1039/d3cc05090d","","x-ray","0.71073","MoKα","","0.0646","0.0405","","","0.109","0.1203","","","","","","1.026","","","","has coordinates","289343","2024-02-04","11:09:27",""
"7132450","31.096","0.002","12.7331","0.0008","18.1401","0.0011","90","","94.162","0.003","90","","7163.6","0.8","100","","100","","","","","","","","see text","6","C 1 c 1","C -2yc","9","","","","- C68 H92 Cl4 N8 O3 Sn2 -","- C68 H92 Cl4 N8 O3 Sn2 -","- C272 H368 Cl16 N32 O12 Sn8 -","4","1","","Eisner, Teresa; Kostenko, Arseni; J Kiefer, Fiona; Inoue, Shigeyoshi","Synthesis and isolation of a cyclic bis-vinyl germylene <i>via</i> a diazoolefin adduct of germylene dichloride.","Chemical communications (Cambridge, England)","2024","60","5","558","561","10.1039/d3cc05090d","","x-ray","0.71073","MoKα","","0.0167","0.0166","","","0.0437","0.0438","","","","","","1.052","","","","has coordinates,has disorder","289343","2024-02-04","11:09:27",""
"7132451","39.42","0.002","12.489","0.0008","22.5821","0.0013","90","","111.047","0.004","90","","10375.8","1.1","100","","100","","","","","","","","see text","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H72 Ge N6 -","- C56 H72 Ge N6 -","- C448 H576 Ge8 N48 -","8","1","","Eisner, Teresa; Kostenko, Arseni; J Kiefer, Fiona; Inoue, Shigeyoshi","Synthesis and isolation of a cyclic bis-vinyl germylene <i>via</i> a diazoolefin adduct of germylene dichloride.","Chemical communications (Cambridge, England)","2024","60","5","558","561","10.1039/d3cc05090d","","x-ray","0.71073","MoKα","","0.0416","0.0359","","","0.0847","0.088","","","","","","1.028","","","","has coordinates","289343","2024-02-04","11:09:27",""
"7132452","5.8787","0.0003","25.8705","0.0014","12.0671","0.0006","90","","101.194","0.002","90","","1800.31","0.16","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 O -","- C26 H16 O -","- C104 H64 O4 -","4","1","","Calikyilmaz, Eylul; Karaoglu, Gozde; Demir, Mete; Şahin, Onur; Ulgut, Burak; Akdag, Akin; Türkmen, Yunus Emre","Intramolecular through-space charge transfer between benzofuran and ynone groups on a naphthalene spacer.","Chemical communications (Cambridge, England)","2024","60","5","550","553","10.1039/d3cc05109a","","","0.71073","MoKα","","0.1092","0.0529","","","0.1048","0.1291","","","","","","1.08","","","","has coordinates","289340","2024-02-04","11:08:10",""
"7132453","17.015","0.0013","17.56","0.002","7.712","0.002","90","","90","","90","","2304.2","0.7","95.15","","95.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C55 H48 Cl2 N6 O2 -","- C55 H48 Cl2 N6 O2 -","- C110 H96 Cl4 N12 O4 -","2","0.5","","Yamanomoto, Ken; Yamamoto, Kota; Yoshida, Satoshi; Sato, Sota; Akiyama, Takahiko","Enantioselective synthesis of 3-(<i>N</i>-indolyl)quinolines containing axial and central chiralities.","Chemical communications (Cambridge, England)","2024","60","5","582","585","10.1039/d3cc05142k","","","0.9","synchrotron","","0.036","0.0347","","","0.0925","0.0936","","","","","","1.067","","","","has coordinates","289341","2024-02-04","11:08:20",""
"7132454","8.3585","0.0006","14.7884","0.001","25.0191","0.0017","90","","90.077","0.004","90","","3092.6","0.4","110","","110","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C35 H34 B F4 N O1.5 P -","- C35 H34 B F4 N O1.5 P -","- C140 H136 B4 F16 N4 O6 P4 -","4","2","","Litle, Elishua D.; Gabbaï, François P","Double axial stabilization of a carbenium ion <i>via</i> convergent PO → C<sup>+</sup> tetrel bonding.","Chemical communications (Cambridge, England)","2024","60","6","690","693","10.1039/d3cc04729f","","","1.54178","CuKα","","0.0681","0.0579","","","0.1402","0.1481","","","","","","1.028","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7132455","12.224","0.002","25.959","0.005","12.87","0.002","90","","91.755","0.005","90","","4082","1.2","110","","110","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C45 H38 B F4 N O2 P2 -","- C45 H38 B F4 N O2 P2 -","- C180 H152 B4 F16 N4 O8 P8 -","4","0.5","","Litle, Elishua D.; Gabbaï, François P","Double axial stabilization of a carbenium ion <i>via</i> convergent PO → C<sup>+</sup> tetrel bonding.","Chemical communications (Cambridge, England)","2024","60","6","690","693","10.1039/d3cc04729f","","","1.54178","CuKα","","0.0485","0.0453","","","0.1249","0.1288","","","","","","1.112","","","","has coordinates","289353","2024-02-04","11:12:06",""
"7132456","15.3105","0.001","10.7158","0.0008","15.7073","0.0011","90","","92.104","0.002","90","","2575.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 N O2 P -","- C33 H30 N O2 P -","- C132 H120 N4 O8 P4 -","4","1","","Litle, Elishua D.; Gabbaï, François P","Double axial stabilization of a carbenium ion <i>via</i> convergent PO → C<sup>+</sup> tetrel bonding.","Chemical communications (Cambridge, England)","2024","60","6","690","693","10.1039/d3cc04729f","","","0.71073","MoKα","","0.0631","0.0544","","","0.1326","0.1371","","","","","","1.121","","","","has coordinates","289353","2024-02-04","11:12:06",""
"7132457","12.0136","0.0017","12.8997","0.0018","13.449","0.0019","71.834","0.003","71.445","0.003","67.41","0.003","1781","0.4","109.99","","109.99","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H40 N O3.5 P2 -","- C45 H40 N O3.5 P2 -","- C90 H80 N2 O7 P4 -","2","1","","Litle, Elishua D.; Gabbaï, François P","Double axial stabilization of a carbenium ion <i>via</i> convergent PO → C<sup>+</sup> tetrel bonding.","Chemical communications (Cambridge, England)","2024","60","6","690","693","10.1039/d3cc04729f","","","0.71073","MoKα","","0.219","0.1369","","","0.2074","0.2382","","","","","","1.18","","","","has coordinates,has disorder","289353","2024-02-04","11:12:06",""
"7132458","13.849","0.003","13.924","0.003","14.623","0.003","115.72","0.005","90.378","0.005","96.195","0.005","2521.1","0.9","110.01","","110.01","","","","","","","","","6","P -1","-P 1","2","","","","- C61 H56 Cl2 N O P2 -","- C61 H56 Cl2 N O P2 -","- C122 H112 Cl4 N2 O2 P4 -","2","1","","Litle, Elishua D.; Gabbaï, François P","Double axial stabilization of a carbenium ion <i>via</i> convergent PO → C<sup>+</sup> tetrel bonding.","Chemical communications (Cambridge, England)","2024","60","6","690","693","10.1039/d3cc04729f","","","0.71073","MoKα","","0.0946","0.0562","","","0.1205","0.1464","","","","","","1.025","","","","has coordinates","289353","2024-02-04","11:12:06",""
"7132459","10.845","0.0005","11.7874","0.0006","11.0385","0.0005","90","","97.286","0.005","90","","1399.71","0.12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H31 Br O6 -","- C32 H31 Br O6 -","- C64 H62 Br2 O12 -","2","1","","Liu, Zi-Hao; Xiao, Jian; Zhai, Qian-Qian; Tang, Xi; Xu, Li-Jun; Zhuang, Zhi-Yuan; Wang, Ya-Wen; Peng, Yu","Intramolecular Ni-catalyzed reductive coupling enables enantiodivergent synthesis of linoxepin.","Chemical communications (Cambridge, England)","2024","60","6","694","697","10.1039/d3cc05312a","","","0.71073","MoKα","","0.0614","0.0432","","","0.0773","0.0865","","","","","","1.01","","","","has coordinates","289360","2024-02-04","11:14:58",""
"7132460","8.41567","0.00015","11.8302","0.0003","18.4063","0.0003","90","","90","","90","","1832.51","0.06","149.99","0.1","149.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 O6 -","- C22 H22 O6 -","- C88 H88 O24 -","4","1","","Liu, Zi-Hao; Xiao, Jian; Zhai, Qian-Qian; Tang, Xi; Xu, Li-Jun; Zhuang, Zhi-Yuan; Wang, Ya-Wen; Peng, Yu","Intramolecular Ni-catalyzed reductive coupling enables enantiodivergent synthesis of linoxepin.","Chemical communications (Cambridge, England)","2024","60","6","694","697","10.1039/d3cc05312a","","x-ray","1.54184","CuKα","","0.037","0.0339","","","0.085","0.087","","","","","","1.069","","","","has coordinates","289360","2024-02-04","11:14:58",""
"7132461","7.60702","0.00016","8.8987","0.0002","25.627","0.0006","90","","90","","90","","1734.76","0.07","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 O6 -","- C21 H18 O6 -","- C84 H72 O24 -","4","1","","Liu, Zi-Hao; Xiao, Jian; Zhai, Qian-Qian; Tang, Xi; Xu, Li-Jun; Zhuang, Zhi-Yuan; Wang, Ya-Wen; Peng, Yu","Intramolecular Ni-catalyzed reductive coupling enables enantiodivergent synthesis of linoxepin.","Chemical communications (Cambridge, England)","2024","60","6","694","697","10.1039/d3cc05312a","","","1.54184","CuKα","","0.0328","0.0311","","","0.0812","0.0826","","","","","","1.052","","","","has coordinates","289360","2024-02-04","11:14:58",""
"7132462","11.4469","0.0004","11.4469","0.0004","4.7028","0.0002","90","","90","","120","","533.66","0.03","150","","150","","","","","","","","","4","P 63","P 6c","173","","","","- C9 H15 F3 O3 -","- C9 H15 F3 O3 -","- C18 H30 F6 O6 -","2","0.333333","","Haridas, Shyamkumar V.; von Delius, Max","Synthesis and supramolecular properties of all-<i>cis</i>-2,4,6-trifluorocyclohexane-1,3,5-triol.","Chemical communications (Cambridge, England)","2024","60","5","606","609","10.1039/d3cc05510h","","x-ray","1.54184","CuKα","","0.0306","0.027","","","0.0697","0.0726","","","","","","1.105","","","","has coordinates","289339","2024-02-04","11:08:00",""
"7132463","17.1696","0.0005","9.4705","0.0003","4.8298","0.0001","90","","90","","90","","785.35","0.04","149.95","0.1","149.95","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C6 H11 F3 O4 -","- C6 H11 F3 O4 -","- C24 H44 F12 O16 -","4","0.5","","Haridas, Shyamkumar V.; von Delius, Max","Synthesis and supramolecular properties of all-<i>cis</i>-2,4,6-trifluorocyclohexane-1,3,5-triol.","Chemical communications (Cambridge, England)","2024","60","5","606","609","10.1039/d3cc05510h","","x-ray","1.54184","CuKα","","0.0383","0.0357","","","0.0947","0.0982","","","","","","1.11","","","","has coordinates","289339","2024-02-04","11:08:00",""
"7132464","18.1588","0.0005","9.2165","0.0002","16.7115","0.0005","90","","92.384","0.003","90","","2794.43","0.13","150","0.14","150","0.14","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H15 F3 O3 -","- C15 H15 F3 O3 -","- C120 H120 F24 O24 -","8","1","","Haridas, Shyamkumar V.; von Delius, Max","Synthesis and supramolecular properties of all-<i>cis</i>-2,4,6-trifluorocyclohexane-1,3,5-triol.","Chemical communications (Cambridge, England)","2024","60","5","606","609","10.1039/d3cc05510h","","x-ray","1.54184","CuKα","","0.0677","0.0556","","","0.1737","0.1785","","","","","","1.318","","","","has coordinates","289339","2024-02-04","11:08:00",""
"7132465","6.4778","0.0001","8.9049","0.0001","19.2107","0.0002","90","","98.964","0.001","90","","1094.62","0.02","150","0.14","150","0.14","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H15 F3 O4 -","- C10 H15 F3 O4 -","- C40 H60 F12 O16 -","4","1","","Haridas, Shyamkumar V.; von Delius, Max","Synthesis and supramolecular properties of all-<i>cis</i>-2,4,6-trifluorocyclohexane-1,3,5-triol.","Chemical communications (Cambridge, England)","2024","60","5","606","609","10.1039/d3cc05510h","","x-ray","1.54184","CuKα","","0.0339","0.0324","","","0.0883","0.0897","","","","","","1.05","","","","has coordinates","289339","2024-02-04","11:08:00",""
"7132466","8.2213","0.0005","12.3633","0.0008","12.5168","0.0008","116.455","0.001","95.181","0.002","102.301","0.002","1087.63","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H7 Ag3 F12 N4 -","- C18 H7 Ag3 F12 N4 -","- C36 H14 Ag6 F24 N8 -","2","1","","Titov, Aleksei A.; Smol'yakov, Alexander F.; Chernyadyev, Andrey Yu; Godovikov, Ivan A.; Filippov, Oleg A.; Shubina, Elena S.","Pyrazolate <i>vs.</i> phenylethynide: direct exchange of the anionic bridging ligand in a cyclic trinuclear silver complex.","Chemical communications (Cambridge, England)","2024","60","7","847","850","10.1039/d3cc05659g","","","0.71073","MoKα","","0.0336","0.0281","","","0.0628","0.066","","","","","","1.035","","","","has coordinates,has disorder","289361","2024-02-04","11:15:17",""
"7132467","13.3037","0.0006","15.8607","0.0007","16.964","0.0008","90.382","0.001","106.152","0.001","109.675","0.001","3217.5","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H10 Ag6 F30 N10 -","- C33 H10 Ag6 F30 N10 -","- C66 H20 Ag12 F60 N20 -","2","1","","Titov, Aleksei A.; Smol'yakov, Alexander F.; Chernyadyev, Andrey Yu; Godovikov, Ivan A.; Filippov, Oleg A.; Shubina, Elena S.","Pyrazolate <i>vs.</i> phenylethynide: direct exchange of the anionic bridging ligand in a cyclic trinuclear silver complex.","Chemical communications (Cambridge, England)","2024","60","7","847","850","10.1039/d3cc05659g","","","0.71073","MoKα","","0.0484","0.0423","","","0.128","0.1327","","","","","","1.059","","","","has coordinates","289361","2024-02-04","11:15:18",""
"7132468","8.3017","0.0004","13.9812","0.0007","14.6108","0.0007","112.009","0.002","98.334","0.002","104.508","0.002","1467.25","0.13","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H29 F N2 O5 S2 -","- C33 H29 F N2 O5 S2 -","- C66 H58 F2 N4 O10 S4 -","2","1","","Liu, Xiao-Li; Ji, Shun-Jun; Cai, Zhong-Jian","Palladium-catalyzed carbomonofluoromethylation of unactivated alkenes: rapid access to γ-monofluoromethyl carboxylic acid derivatives.","Chemical communications (Cambridge, England)","2024","60","6","730","733","10.1039/d3cc05380f","","","0.71073","MoKα","","0.0959","0.0563","","","0.1338","0.1529","","","","","","1.014","","","","has coordinates","289356","2024-02-04","11:12:39",""
"7132469","9.9625","0.0005","13.7996","0.0012","20.0668","0.0018","102.386","0.002","95.157","0.002","93.654","0.002","2673.8","0.4","150","","150","","","","","","","","","9","P -1","-P 1","2","","","","- C5 Cl3.4 F43.4 N O13.8 S3.4 Sb Te7 Xe -","- C5 Cl3.4001 F43.4001 N O13.8002 S3.4001 Sb Te7 Xe -","- C10 Cl6.8002 F86.8002 N2 O27.6004 S6.8002 Sb2 Te14 Xe2 -","2","1","","Toraman, Ahmet N.; Fischer, Lukas; Pérez-Bitrián, Alberto; Wiesner, Anja; Hoffmann, Kurt F.; Riedel, Sebastian","[Xe(OTeF<sub>5</sub>)(py<sup>F</sup>)]<sup>+</sup>: a strong oxidizing xenonium(II) teflate cation with N-donor bases.","Chemical communications (Cambridge, England)","2024","60","13","1711","1714","10.1039/d3cc05560d","","","0.71073","MoKα","","0.0347","0.0326","","","0.0849","0.0861","","","","","","1.139","","","","has coordinates,has disorder","290091","2024-03-04","19:50:22",""
"7132470","11.421","0.0011","9.3158","0.001","21.599","0.002","90","","96.498","0.004","90","","2283.3","0.4","108","2","108","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H3 N8 Na O7 -","- C5 H3 N8 Na O7 -","- C40 H24 N64 Na8 O56 -","8","1","","Balaraju, Muntha; Kommu, Nagarjuna; Vangara, Srinivas; Sahoo, Aswini K.; Thaltiri, Vikranth; Sahoo, Akhila K.","Synthetic manifestation of trinitro-pyrazolo-2<i>H</i>-1,2,3-triazoles (TNPT) as insensitive energetic materials.","Chemical communications (Cambridge, England)","2024","60","7","827","830","10.1039/d3cc05116a","","","0.71073","MoKα","","0.0327","0.029","","","0.0753","0.0789","","","","","","1.0597","","","","has coordinates","289368","2024-02-04","11:17:58",""
"7132471","11.9516","0.0002","8.6036","0.0002","10.7241","0.0002","90","","104.501","0.001","90","","1067.6","0.04","296","2","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H2 N8 O6 -","- C5 H2 N8 O6 -","- C20 H8 N32 O24 -","4","1","","Balaraju, Muntha; Kommu, Nagarjuna; Vangara, Srinivas; Sahoo, Aswini K.; Thaltiri, Vikranth; Sahoo, Akhila K.","Synthetic manifestation of trinitro-pyrazolo-2<i>H</i>-1,2,3-triazoles (TNPT) as insensitive energetic materials.","Chemical communications (Cambridge, England)","2024","60","7","827","830","10.1039/d3cc05116a","","","1.54178","CuKα","","0.039","0.0352","","","0.0914","0.0933","","","","","","1.057","","","","has coordinates","289368","2024-02-04","11:17:59",""
"7132472","6.6812","0.001","7.0171","0.0011","7.8472","0.0012","90","","104.571","0.005","90","","356.06","0.09","104","2","104","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C5 H4 N6 O2 -","- C5 H4 N6 O2 -","- C10 H8 N12 O4 -","2","1","","Balaraju, Muntha; Kommu, Nagarjuna; Vangara, Srinivas; Sahoo, Aswini K.; Thaltiri, Vikranth; Sahoo, Akhila K.","Synthetic manifestation of trinitro-pyrazolo-2<i>H</i>-1,2,3-triazoles (TNPT) as insensitive energetic materials.","Chemical communications (Cambridge, England)","2024","60","7","827","830","10.1039/d3cc05116a","","","0.71073","MoKα","","0.0306","0.0303","","","0.0802","0.0804","","","","","","1.064","","","","has coordinates","289368","2024-02-04","11:17:59",""
"7132473","9.1552","0.0005","8.1515","0.0004","15.7139","0.0007","90","","106.884","0.005","90","","1122.16","0.1","297.8","","297.8","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H4 N8 O6 -","- C6 H4 N8 O6 -","- C24 H16 N32 O24 -","4","1","","Balaraju, Muntha; Kommu, Nagarjuna; Vangara, Srinivas; Sahoo, Aswini K.; Thaltiri, Vikranth; Sahoo, Akhila K.","Synthetic manifestation of trinitro-pyrazolo-2<i>H</i>-1,2,3-triazoles (TNPT) as insensitive energetic materials.","Chemical communications (Cambridge, England)","2024","60","7","827","830","10.1039/d3cc05116a","","x-ray","0.71073","MoKα","","0.0499","0.0427","","","0.126","0.1329","","","","","","1.065","","","","has coordinates","289368","2024-02-04","11:17:59",""
"7132474","8.8502","0.0004","7.3093","0.0004","16.7588","0.0007","90","","98.44","0.004","90","","1072.37","0.09","298.35","","298.35","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H3 N9 O6 -","- C5 H3 N9 O6 -","- C20 H12 N36 O24 -","4","1","","Balaraju, Muntha; Kommu, Nagarjuna; Vangara, Srinivas; Sahoo, Aswini K.; Thaltiri, Vikranth; Sahoo, Akhila K.","Synthetic manifestation of trinitro-pyrazolo-2<i>H</i>-1,2,3-triazoles (TNPT) as insensitive energetic materials.","Chemical communications (Cambridge, England)","2024","60","7","827","830","10.1039/d3cc05116a","","x-ray","0.71073","MoKα","","0.1318","0.0686","","","0.1798","0.2247","","","","","","1.011","","","","has coordinates","289368","2024-02-04","11:17:59",""
"7132475","5.1838","0.0008","9.1275","0.0012","12.3907","0.0018","107.311","0.004","99.537","0.005","102.736","0.004","528.83","0.13","107","2","107","","","","","","","","","4","P -1","-P 1","2","","","","- C5 H5 N9 O6 -","- C5 H5 N9 O6 -","- C10 H10 N18 O12 -","2","1","","Balaraju, Muntha; Kommu, Nagarjuna; Vangara, Srinivas; Sahoo, Aswini K.; Thaltiri, Vikranth; Sahoo, Akhila K.","Synthetic manifestation of trinitro-pyrazolo-2<i>H</i>-1,2,3-triazoles (TNPT) as insensitive energetic materials.","Chemical communications (Cambridge, England)","2024","60","7","827","830","10.1039/d3cc05116a","","","0.71073","MoKα","","0.0366","0.0328","","","0.0869","0.0904","","","","","","1.0514","","","","has coordinates","289368","2024-02-04","11:17:59",""
"7132476","12.176","0.004","13.726","0.004","16.323","0.005","68.781","0.009","86.578","0.01","79.806","0.01","2502.9","1.4","103","","103","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H37 B2 Co Fe2 N24 O3.5 -","- C42 H37 B2 Co Fe2 N24 O3.5 -","- C84 H74 B4 Co2 Fe4 N48 O7 -","2","1","","Kharel, Ranjan; Yadav, Jyoti; Konar, Sanjit","Modulation of single-chain magnet behaviour in a heterometallic Fe<sub>2</sub>Co cyanide-bridged 2D sheet.","Chemical communications (Cambridge, England)","2024","60","7","839","842","10.1039/d3cc03647b","","","0.71073","MoKα","","0.1424","0.0681","","","0.1471","0.1858","","","","","","0.971","","","","has coordinates,has disorder","289370","2024-02-04","11:18:46",""
"7132477","12.358","0.0004","13.8278","0.0005","16.4558","0.0005","68.011","0.002","86.398","0.002","78.696","0.002","2556.72","0.15","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C42.5 H40 B2 Fe2 N24 O4 Zn -","- C42.5 H40 B2 Fe2 N24 O4 Zn -","- C85 H80 B4 Fe4 N48 O8 Zn2 -","2","1","","Kharel, Ranjan; Yadav, Jyoti; Konar, Sanjit","Modulation of single-chain magnet behaviour in a heterometallic Fe<sub>2</sub>Co cyanide-bridged 2D sheet.","Chemical communications (Cambridge, England)","2024","60","7","839","842","10.1039/d3cc03647b","","","1.54178","CuKα","","0.0503","0.0451","","","0.1112","0.114","","","","","","1.068","","","","has coordinates,has disorder","289370","2024-02-04","11:18:47",""
"7132478","11.9253","0.0007","13.8081","0.0008","16.3778","0.0009","68.189","0.003","86.117","0.004","80.393","0.004","2468.6","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H34 B2 Co Fe2 N24 -","- C42 H34 B2 Co Fe2 N24 -","- C84 H68 B4 Co2 Fe4 N48 -","2","1","","Kharel, Ranjan; Yadav, Jyoti; Konar, Sanjit","Modulation of single-chain magnet behaviour in a heterometallic Fe<sub>2</sub>Co cyanide-bridged 2D sheet.","Chemical communications (Cambridge, England)","2024","60","7","839","842","10.1039/d3cc03647b","","","1.54178","CuKα","","0.0673","0.0459","","","0.1037","0.113","","","","","","1.052","","","","has coordinates","289370","2024-02-04","11:18:47",""
"7132479","12.328","0.006","13.811","0.007","16.392","0.008","68.709","0.014","86.93","0.015","79.551","0.016","2557","2","245","2","245","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H35 B2 Co Fe2 N24 O3.5 -","- C42 H35 B2 Co Fe2 N24 O3.5 -","- C84 H70 B4 Co2 Fe4 N48 O7 -","2","1","","Kharel, Ranjan; Yadav, Jyoti; Konar, Sanjit","Modulation of single-chain magnet behaviour in a heterometallic Fe<sub>2</sub>Co cyanide-bridged 2D sheet.","Chemical communications (Cambridge, England)","2024","60","7","839","842","10.1039/d3cc03647b","","","0.71073","MoKα","","0.1097","0.0542","","","0.1162","0.1441","","","","","","1.022","","","","has coordinates,has disorder","289370","2024-02-04","11:18:47",""
"7132480","11.046","0.002","18.14","0.003","20.185","0.004","81.621","0.006","86.362","0.007","82.139","0.007","3959.9","1.3","100","","100","","","","","","","","see text","9","P -1","-P 1","2","","","","- C74 H65 Cu F6 Fe N8 O7 P2 S2 -","- C74 H65 Cu F6 Fe N8 O7 P2 S2 -","- C148 H130 Cu2 F12 Fe2 N16 O14 P4 S4 -","2","1","","Rickmeyer, Kerstin; Huber, Matthias; Hess, Corinna R.","Influence of a neighbouring Cu centre on electro- and photocatalytic CO<sub>2</sub> reduction by Fe-Mabiq.","Chemical communications (Cambridge, England)","2024","60","7","819","822","10.1039/d3cc04777f","","x-ray","0.71073","MoKα","","0.0448","0.0357","","","0.0943","0.0968","","","","","","1.062","","","","has coordinates","289367","2024-02-04","11:17:29",""
"7132481","12.8059","0.0019","16.387","0.002","20.403","0.003","90","","105.269","0.006","90","","4130.4","1","100","","100","","","","","","","","see text","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H39 F3 Fe N10 O3 S -","- C38 H39 F3 Fe N10 O3 S -","- C152 H156 F12 Fe4 N40 O12 S4 -","4","1","","Rickmeyer, Kerstin; Huber, Matthias; Hess, Corinna R.","Influence of a neighbouring Cu centre on electro- and photocatalytic CO<sub>2</sub> reduction by Fe-Mabiq.","Chemical communications (Cambridge, England)","2024","60","7","819","822","10.1039/d3cc04777f","","x-ray","0.71073","MoKα","","0.0524","0.0482","","","0.1424","0.1474","","","","","","1.123","","","","has coordinates,has disorder","289367","2024-02-04","11:17:29",""
"7132482","15.9232","0.001","15.0712","0.0011","16.8379","0.0011","90","","90","","90","","4040.8","0.5","110","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Co_dadtBz","","- C21 H28 Co N2 S2 -","- C21 H28 Co N2 S2 -","- C168 H224 Co8 N16 S16 -","8","1","","Jana, Manish; Quiroz, Manuel; Darensbourg, Marcetta Y.","A single carbon atom controls the geometry and reactivity of Co<sup>II</sup>(N<sub>2</sub>S<sub>2</sub>) complexes.","Chemical communications (Cambridge, England)","2024","60","9","1128","1131","10.1039/d3cc05394f","","","0.71073","MoKα","","0.0486","0.0291","","","0.0619","0.0741","","","","","","1.161","","","","has coordinates","289374","2024-02-04","11:20:01",""
"7132483","17.8761","0.0003","13.6323","0.0003","15.8821","0.0003","90","","102.083","0.002","90","","3784.6","0.13","100.01","0.12","100.01","0.12","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C40 H52 Co2 N4 S4 -","- C40 H52 Co2 N4 S4 -","- C160 H208 Co8 N16 S16 -","4","0.5","","Jana, Manish; Quiroz, Manuel; Darensbourg, Marcetta Y.","A single carbon atom controls the geometry and reactivity of Co<sup>II</sup>(N<sub>2</sub>S<sub>2</sub>) complexes.","Chemical communications (Cambridge, England)","2024","60","9","1128","1131","10.1039/d3cc05394f","","x-ray","1.54184","CuKα","","0.0518","0.0435","","","0.095","0.0988","","","","","","1.076","","","","has coordinates","289374","2024-02-04","11:20:02",""
"7132484","13.2062","0.0012","14.533","0.0013","18.5933","0.0017","90","","105.716","0.002","90","","3435.1","0.5","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H43 Co N3 O6 S2 W -","- C31 H43 Co N3 O6 S2 W -","- C124 H172 Co4 N12 O24 S8 W4 -","4","1","","Jana, Manish; Quiroz, Manuel; Darensbourg, Marcetta Y.","A single carbon atom controls the geometry and reactivity of Co<sup>II</sup>(N<sub>2</sub>S<sub>2</sub>) complexes.","Chemical communications (Cambridge, England)","2024","60","9","1128","1131","10.1039/d3cc05394f","","","0.71073","MoKα","","0.03","0.0276","","","0.0692","0.0711","","","","","","1.019","","","","has coordinates,has disorder","289374","2024-02-04","11:20:02",""
"7132485","24.5425","0.0016","11.5431","0.0008","24.7944","0.0017","90","","115.177","0.003","90","","6356.9","0.8","110","","110","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H70 Co2 N6 O8 S4 W2 -","- C54 H70 Co2 N6 O8 S4 W2 -","- C216 H280 Co8 N24 O32 S16 W8 -","4","1","","Jana, Manish; Quiroz, Manuel; Darensbourg, Marcetta Y.","A single carbon atom controls the geometry and reactivity of Co<sup>II</sup>(N<sub>2</sub>S<sub>2</sub>) complexes.","Chemical communications (Cambridge, England)","2024","60","9","1128","1131","10.1039/d3cc05394f","","","1.54178","CuKα","","0.0424","0.0308","","","0.0692","0.0747","","","","","","1.02","","","","has coordinates,has disorder","289374","2024-02-04","11:20:02",""
"7132486","9.2858","0.0006","10.8685","0.0007","27.6229","0.0017","90","","90","","90","","2787.8","0.3","300","","300","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H28 N2 O6 -","- C34 H28 N2 O6 -","- C136 H112 N8 O24 -","4","1","","Zhang, Xuan; Song, Xiaoxiao; Ni, Qijian","Organocatalytic regio- and enantioselective C1-arylation of β,γ-alkynyl-α-imino esters with pyrrolo[2,1-<i>a</i>]isoquinolines.","Chemical communications (Cambridge, England)","2024","60","7","831","834","10.1039/d3cc04946a","","x-ray","1.54178","CuKα","","0.047","0.043","","","0.109","0.1124","","","","","","1.058","","","","has coordinates","289364","2024-02-04","11:16:13",""
"7132487","10.1018","0.0008","11.4504","0.0007","13.7104","0.0012","105.43","0.003","99.759","0.003","108.874","0.004","1388.58","0.19","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H30 N2 O6 -","- C31 H30 N2 O6 -","- C62 H60 N4 O12 -","2","1","","Zhang, Xuan; Song, Xiaoxiao; Ni, Qijian","Organocatalytic regio- and enantioselective C1-arylation of β,γ-alkynyl-α-imino esters with pyrrolo[2,1-<i>a</i>]isoquinolines.","Chemical communications (Cambridge, England)","2024","60","7","831","834","10.1039/d3cc04946a","","x-ray","0.71073","MoKα","","0.1009","0.049","","","0.1165","0.1398","","","","","","1.022","","","","has coordinates,has disorder","289364","2024-02-04","11:16:14",""
"7132488","17.9362","0.0006","11.3297","0.0004","24.0854","0.0009","90","","96.57","0.003","90","","4862.3","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55.5 H60 B Cl N6 Ni -","- C55.5 H60 B Cl N6 Ni -","- C222 H240 B4 Cl4 N24 Ni4 -","4","1","","Audsley, Gabrielle; Carpentier, Ambre; Pécharman, Anne-Frédérique; Wright, James; Roseveare, Thomas M.; Clark, Ewan R.; Macgregor, Stuart A.; Riddlestone, Ian M.","Contrasting reactivity of B-Cl and B-H bonds at [Ni(IMes)<sub>2</sub>] to form unsupported Ni-boryls.","Chemical communications (Cambridge, England)","2024","60","7","874","877","10.1039/d3cc05369e","","x-ray","1.54184","CuKα","","0.0833","0.0457","","","0.1028","0.1114","","","","","","0.827","","","","has coordinates,has disorder","289369","2024-02-04","11:18:26",""
"7132489","12.5356","0.0001","7.8928","0.0001","33.1689","0.0003","90","","92.781","0.001","90","","3277.9","0.06","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H40 B2 N6 -","- C41 H40 B2 N6 -","- C164 H160 B8 N24 -","4","1","","Audsley, Gabrielle; Carpentier, Ambre; Pécharman, Anne-Frédérique; Wright, James; Roseveare, Thomas M.; Clark, Ewan R.; Macgregor, Stuart A.; Riddlestone, Ian M.","Contrasting reactivity of B-Cl and B-H bonds at [Ni(IMes)<sub>2</sub>] to form unsupported Ni-boryls.","Chemical communications (Cambridge, England)","2024","60","7","874","877","10.1039/d3cc05369e","","x-ray","1.54184","CuKα","","0.0461","0.0422","","","0.1165","0.1201","","","","","","1.021","","","","has coordinates","289369","2024-02-04","11:18:26",""
"7132490","12.2169","0.0002","15.9479","0.0002","24.7366","0.0004","90","","98.364","0.001","90","","4768.27","0.13","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H56 B N4 Ni O4 -","- C54 H56 B N4 Ni O4 -","- C216 H224 B4 N16 Ni4 O16 -","4","1","","Audsley, Gabrielle; Carpentier, Ambre; Pécharman, Anne-Frédérique; Wright, James; Roseveare, Thomas M.; Clark, Ewan R.; Macgregor, Stuart A.; Riddlestone, Ian M.","Contrasting reactivity of B-Cl and B-H bonds at [Ni(IMes)<sub>2</sub>] to form unsupported Ni-boryls.","Chemical communications (Cambridge, England)","2024","60","7","874","877","10.1039/d3cc05369e","","x-ray","1.54184","CuKα","","0.0596","0.0454","","","0.1094","0.1166","","","","","","1.085","","","","has coordinates","289369","2024-02-04","11:18:26",""
"7132491","12.0673","0.0003","13.458","0.0005","15.2235","0.0005","91.823","0.003","99.146","0.003","97.973","0.003","2413.63","0.14","150.01","0.1","150.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C55.2 H57 B F0.2 N4 Ni2 O4 -","- C54 H56 B N4 Ni2 O4 -","- C108 H112 B2 N8 Ni4 O8 -","2","1","","Audsley, Gabrielle; Carpentier, Ambre; Pécharman, Anne-Frédérique; Wright, James; Roseveare, Thomas M.; Clark, Ewan R.; Macgregor, Stuart A.; Riddlestone, Ian M.","Contrasting reactivity of B-Cl and B-H bonds at [Ni(IMes)<sub>2</sub>] to form unsupported Ni-boryls.","Chemical communications (Cambridge, England)","2024","60","7","874","877","10.1039/d3cc05369e","","x-ray","1.54184","CuKα","","0.057","0.0426","","","0.1024","0.1108","","","","","","1.015","","","","has coordinates,has disorder","289369","2024-02-04","11:18:26",""
"7132492","11.4827","0.0003","15.0976","0.0004","15.7441","0.0005","85.618","0.002","84.57","0.002","75.422","0.002","2625.77","0.13","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C57 H69 B N6 Ni O -","- C53 H59 B N6 Ni -","- C106 H118 B2 N12 Ni2 -","2","1","","Audsley, Gabrielle; Carpentier, Ambre; Pécharman, Anne-Frédérique; Wright, James; Roseveare, Thomas M.; Clark, Ewan R.; Macgregor, Stuart A.; Riddlestone, Ian M.","Contrasting reactivity of B-Cl and B-H bonds at [Ni(IMes)<sub>2</sub>] to form unsupported Ni-boryls.","Chemical communications (Cambridge, England)","2024","60","7","874","877","10.1039/d3cc05369e","","x-ray","1.54184","CuKα","","0.0465","0.038","","","0.1009","0.1058","","","","","","1.048","","","","has coordinates","289369","2024-02-04","11:18:26",""
"7132493","10.482","0.004","13.929","0.005","33.577","0.013","90","","96.737","0.007","90","","4869","3","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C54 H52 B Cl D6 N4 Ni O2 -","- C54 H52 B Cl D6 N4 Ni O2 -","- C216 H208 B4 Cl4 D24 N16 Ni4 O8 -","4","1","","Audsley, Gabrielle; Carpentier, Ambre; Pécharman, Anne-Frédérique; Wright, James; Roseveare, Thomas M.; Clark, Ewan R.; Macgregor, Stuart A.; Riddlestone, Ian M.","Contrasting reactivity of B-Cl and B-H bonds at [Ni(IMes)<sub>2</sub>] to form unsupported Ni-boryls.","Chemical communications (Cambridge, England)","2024","60","7","874","877","10.1039/d3cc05369e","","","0.71073","MoKα","","0.1071","0.0648","","","0.1517","0.1756","","","","","","1.023","","","","has coordinates,has disorder","289369","2024-02-04","11:18:26",""
"7132494","11.432","0.004","14.578","0.007","17.78","0.005","93.226","0.016","107.118","0.01","94.524","0.014","2813.2","1.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H65 B2 Cu2 F10 N5 -","- C63 H65 B2 Cu2 F10 N5 -","- C126 H130 B4 Cu4 F20 N10 -","2","1","","Duwe, Dario; Saha, Koushik; Endres, Lukas; Brückner, Tobias; Dewhurst, Rian D.; Dietz, Maximilian; Radacki, Krzysztof; Fantuzzi, Felipe; Braunschweig, Holger","Stepwise and selective synthesis of chelating, multimetallic and mixed-metal π-diborene complexes.","Chemical communications (Cambridge, England)","2024","60","9","1120","1123","10.1039/d3cc05477b","","","0.71073","MoKα","","0.1118","0.0556","","","0.1205","0.148","","","","","","1.016","","","","has coordinates,has disorder","289379","2024-02-04","11:22:09",""
"7132495","12.547","0.006","18.489","0.008","21.362","0.008","90","","93.295","0.013","90","","4947","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C109 H138 Au2 B4 Br2 N10 -","- C109 H138 Au2 B4 Br2 N10 -","- C218 H276 Au4 B8 Br4 N20 -","2","0.5","","Duwe, Dario; Saha, Koushik; Endres, Lukas; Brückner, Tobias; Dewhurst, Rian D.; Dietz, Maximilian; Radacki, Krzysztof; Fantuzzi, Felipe; Braunschweig, Holger","Stepwise and selective synthesis of chelating, multimetallic and mixed-metal π-diborene complexes.","Chemical communications (Cambridge, England)","2024","60","9","1120","1123","10.1039/d3cc05477b","","x-ray","0.71073","MoKα","K-L~2,3~","0.0516","0.0342","","","0.0697","0.0753","","","","","","1.03","","","","has coordinates,has disorder","289379","2024-02-04","11:22:10",""
"7132496","18.1438","0.0002","11.818","0.0001","23.6127","0.0002","90","","112.15","0.001","90","","4689.46","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H63 B2 Cl2 Cu2 N5 -","- C51 H63 B2 Cl2 Cu2 N5 -","- C204 H252 B8 Cl8 Cu8 N20 -","4","1","","Duwe, Dario; Saha, Koushik; Endres, Lukas; Brückner, Tobias; Dewhurst, Rian D.; Dietz, Maximilian; Radacki, Krzysztof; Fantuzzi, Felipe; Braunschweig, Holger","Stepwise and selective synthesis of chelating, multimetallic and mixed-metal π-diborene complexes.","Chemical communications (Cambridge, England)","2024","60","9","1120","1123","10.1039/d3cc05477b","","x-ray","1.54184","CuKα","K-L~2,3~","0.0581","0.0515","","","0.1283","0.1333","","","","","","1.037","","","","has coordinates,has disorder","289379","2024-02-04","11:22:10",""
"7132497","13.704","0.0001","13.7578","0.0001","24.4253","0.0002","90","","101.318","0.001","90","","4515.52","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H65 B2 Cl Cu N5 -","- C51 H65 B2 Cl Cu N5 -","- C204 H260 B8 Cl4 Cu4 N20 -","4","1","","Duwe, Dario; Saha, Koushik; Endres, Lukas; Brückner, Tobias; Dewhurst, Rian D.; Dietz, Maximilian; Radacki, Krzysztof; Fantuzzi, Felipe; Braunschweig, Holger","Stepwise and selective synthesis of chelating, multimetallic and mixed-metal π-diborene complexes.","Chemical communications (Cambridge, England)","2024","60","9","1120","1123","10.1039/d3cc05477b","","x-ray","1.54184","CuKα","K-L~2,3~","0.0383","0.0339","","","0.0885","0.091","","","","","","1.044","","","","has coordinates","289379","2024-02-04","11:22:10",""
"7132498","23.8864","0.0001","12.6825","0.0001","36.1057","0.0002","90","","95.522","0.001","90","","10887.1","0.12","100","2","99.99","0.11","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C60 H74 Ag B2 Cl N5 -","- C60 H74 Ag B2 Cl N5 -","- C480 H592 Ag8 B16 Cl8 N40 -","8","1","","Duwe, Dario; Saha, Koushik; Endres, Lukas; Brückner, Tobias; Dewhurst, Rian D.; Dietz, Maximilian; Radacki, Krzysztof; Fantuzzi, Felipe; Braunschweig, Holger","Stepwise and selective synthesis of chelating, multimetallic and mixed-metal π-diborene complexes.","Chemical communications (Cambridge, England)","2024","60","9","1120","1123","10.1039/d3cc05477b","","","1.54184","CuKα","","0.0396","0.0366","","","0.0969","0.0988","","","","","","1.042","","","","has coordinates,has disorder","289379","2024-02-04","11:22:10",""
"7132499","35.642","0.009","11.768","0.003","26.907","0.007","90","","101.525","0.012","90","","11058","5","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C120 H148 Au2 B4 Cl4 Cu2 N10 -","- C120 H148 Au2 B4 Cl4 Cu2 N10 -","- C480 H592 Au8 B16 Cl16 Cu8 N40 -","4","1","","Duwe, Dario; Saha, Koushik; Endres, Lukas; Brückner, Tobias; Dewhurst, Rian D.; Dietz, Maximilian; Radacki, Krzysztof; Fantuzzi, Felipe; Braunschweig, Holger","Stepwise and selective synthesis of chelating, multimetallic and mixed-metal π-diborene complexes.","Chemical communications (Cambridge, England)","2024","60","9","1120","1123","10.1039/d3cc05477b","","x-ray","0.71073","MoKα","K-L~2,3~","0.0326","0.0307","","","0.073","0.0744","","","","","","1.034","","","","has coordinates,has disorder","289379","2024-02-04","11:22:10",""
"7132500","13.643","0.003","21.105","0.005","19.074","0.005","90","","91.484","0.007","90","","5490","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C123 H154 Au2 B4 Cl2 N10 -","- C123 H154 Au2 B4 Cl2 N10 -","- C246 H308 Au4 B8 Cl4 N20 -","2","0.5","","Duwe, Dario; Saha, Koushik; Endres, Lukas; Brückner, Tobias; Dewhurst, Rian D.; Dietz, Maximilian; Radacki, Krzysztof; Fantuzzi, Felipe; Braunschweig, Holger","Stepwise and selective synthesis of chelating, multimetallic and mixed-metal π-diborene complexes.","Chemical communications (Cambridge, England)","2024","60","9","1120","1123","10.1039/d3cc05477b","","","0.71073","MoKα","","0.0424","0.0328","","","0.075","0.0789","","","","","","1.092","","","","has coordinates,has disorder","289379","2024-02-04","11:22:10",""
"7132501","15.0923","0.0011","17.1901","0.0014","25.434","0.002","102.384","0.003","91.28","0.002","90.589","0.003","6442.6","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H65 B2 Cl4 Cu4 N5 -","- C51 H65 B2 Cl4 Cu4 N5 -","- C204 H260 B8 Cl16 Cu16 N20 -","4","2","","Duwe, Dario; Saha, Koushik; Endres, Lukas; Brückner, Tobias; Dewhurst, Rian D.; Dietz, Maximilian; Radacki, Krzysztof; Fantuzzi, Felipe; Braunschweig, Holger","Stepwise and selective synthesis of chelating, multimetallic and mixed-metal π-diborene complexes.","Chemical communications (Cambridge, England)","2024","60","9","1120","1123","10.1039/d3cc05477b","","","0.71073","MoKα","","0.1342","0.094","","","0.249","0.2747","","","","","","1.033","","","","has coordinates,has disorder","289379","2024-02-04","11:22:10",""
"7132502","10.093","0.003","11.029","0.002","12.285","0.003","102.228","0.007","113.956","0.007","91.965","0.007","1210.2","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H13 N3 Se -","- C12 H13 N3 Se -","- C48 H52 N12 Se4 -","4","2","","Wang, Hui-Hui; Zhu, Yang-Yun; Chen, Chuan-Li; Huang, Xiao-Bo; Liu, Miao-Chang; Zhou, Yun-Bing; Wu, Hua-Yue","Transition-metal-free four-component reaction of nitriles and disulfides/diselenides.","Chemical communications (Cambridge, England)","2024","60","7","862","865","10.1039/d3cc05416k","","","0.71073","MoKα","","0.0396","0.0267","","","0.0626","0.0693","","","","","","1.013","","","","has coordinates","289365","2024-02-04","11:16:26",""
"7132503","7.0262","0.0011","9.2338","0.0014","24.1","0.004","90","","90","","90","","1563.6","0.4","273","","273","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Br N2 O -","- C18 H13 Br N2 O -","- C72 H52 Br4 N8 O4 -","4","1","","Ishida, Moeka; Adachi, Rina; Kobayashi, Kazuki; Yamamoto, Yukiko; Kawahara, Chinatsu; Yamada, Tsuyoshi; Aoyama, Hiroshi; Kanomata, Kyohei; Akai, Shuji; Lam, Patrick Y. S.; Sajiki, Hironao; Ikawa, Takashi","First atroposelective Chan-Lam coupling for the synthesis of C-N linked biaryls.","Chemical communications (Cambridge, England)","2024","60","6","678","681","10.1039/d3cc05447k","","","0.71075","MoKα","","0.0309","0.0277","","","0.0539","0.0543","","","","","","0.922","","","","has coordinates","289354","2024-02-04","11:12:16",""
"7132504","10.4746","0.0001","23.45","0.0002","23.6481","0.0002","90","","91.91","0.001","90","","5805.44","0.09","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Ru2(trop2dae)(trop2dad)]x3(THF)","","- C76 H76 N4 O3 Ru2 -","- C76 H76 N4 O3 Ru2 -","- C304 H304 N16 O12 Ru8 -","4","1","","Himmelbauer, Daniel; Müller, Fabian; Schweinzer, Clara; Casas, Fernando; Pribanic, Bruno; Le Corre, Grégoire; Thöny, Debora; Trincado, Monica; Grützmacher, Hansjörg","Selective dehydrogenation of ammonia borane to polycondensated BN rings catalysed by ruthenium olefin complexes.","Chemical communications (Cambridge, England)","2024","60","7","885","888","10.1039/d3cc05709g","","x-ray","0.71073","MoKα","","0.0543","0.0411","","","0.0902","0.0953","","","","","","1.064","","","","has coordinates,has disorder","289366","2024-02-04","11:17:04",""
"7132505","22.6531","0.0009","10.6359","0.0004","13.5057","0.0005","90","","112.83","0.004","90","","2999.1","0.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H40 F6 N2 O6 S2 -","- C24 H40 F6 N2 O6 S2 -","- C96 H160 F24 N8 O24 S8 -","4","0.5","","Nayak, Mithilesh Kumar; Elvers, Benedict J.; Mehta, Sakshi; Krummenacher, Ivo; Mondal, Abhishake; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","Bis-[cyclic(alkyl)(amino)carbene]-derived diradicals.","Chemical communications (Cambridge, England)","2024","60","13","1739","1742","10.1039/d3cc05779h","","","0.71073","MoKα","","0.0615","0.0477","","","0.1177","0.1236","","","","","","1.04","","","","has coordinates","290093","2024-03-04","19:51:00",""
"7132506","6.6145","0.0005","8.4668","0.0005","15.3473","0.0008","88.298","0.005","79.536","0.005","88.611","0.005","844.68","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 F6 N2 O6 S2 -","- C30 H48 F6 N2 O6 S2 -","- C30 H48 F6 N2 O6 S2 -","1","0.5","","Nayak, Mithilesh Kumar; Elvers, Benedict J.; Mehta, Sakshi; Krummenacher, Ivo; Mondal, Abhishake; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","Bis-[cyclic(alkyl)(amino)carbene]-derived diradicals.","Chemical communications (Cambridge, England)","2024","60","13","1739","1742","10.1039/d3cc05779h","","","0.71073","MoKα","","0.0685","0.0448","","","0.0962","0.1028","","","","","","1.047","","","","has coordinates,has disorder","290093","2024-03-04","19:51:01",""
"7132507","12.2275","0.001","7.8196","0.0006","27.4908","0.0019","90","","90","","90","","2628.5","0.3","298","2","298","2","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C26 H46 N2 S2 -","- C26 H46 N2 S2 -","- C104 H184 N8 S8 -","4","0.25","","Nayak, Mithilesh Kumar; Elvers, Benedict J.; Mehta, Sakshi; Krummenacher, Ivo; Mondal, Abhishake; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","Bis-[cyclic(alkyl)(amino)carbene]-derived diradicals.","Chemical communications (Cambridge, England)","2024","60","13","1739","1742","10.1039/d3cc05779h","","","0.71073","MoKα","","0.0616","0.0443","","","0.1175","0.1235","","","","","","1.097","","","","has coordinates","290093","2024-03-04","19:51:01",""
"7132508","11.4316","0.0006","17.5255","0.0009","10.7728","0.0006","90","","101.125","0.005","90","","2117.7","0.2","250","2","250","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H27 F3 Li N O4 S -","- C16 H27 F3 Li N O4 S -","- C64 H108 F12 Li4 N4 O16 S4 -","4","1","","Nayak, Mithilesh Kumar; Elvers, Benedict J.; Mehta, Sakshi; Krummenacher, Ivo; Mondal, Abhishake; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","Bis-[cyclic(alkyl)(amino)carbene]-derived diradicals.","Chemical communications (Cambridge, England)","2024","60","13","1739","1742","10.1039/d3cc05779h","","","0.71073","MoKα","","0.0717","0.0489","","","0.1324","0.1443","","","","","","1.059","","","","has coordinates,has disorder","290093","2024-03-04","19:51:01",""
"7132509","9.2307","0.0007","7.8541","0.0006","15.9582","0.0012","90","","100.261","0.003","90","","1138.45","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H38 N2 S2 -","- C22 H38 N2 S2 -","- C44 H76 N4 S4 -","2","0.5","","Nayak, Mithilesh Kumar; Elvers, Benedict J.; Mehta, Sakshi; Krummenacher, Ivo; Mondal, Abhishake; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","Bis-[cyclic(alkyl)(amino)carbene]-derived diradicals.","Chemical communications (Cambridge, England)","2024","60","13","1739","1742","10.1039/d3cc05779h","","","0.71073","MoKα","","0.0487","0.0446","","","0.1144","0.1189","","","","","","1.023","","","","has coordinates","290093","2024-03-04","19:51:01",""
"7132510","6.1244","0.0005","12.4798","0.0008","17.3975","0.0011","90","","93.516","0.002","90","","1327.21","0.16","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 N2 S2 -","- C28 H46 N2 S2 -","- C56 H92 N4 S4 -","2","0.5","","Nayak, Mithilesh Kumar; Elvers, Benedict J.; Mehta, Sakshi; Krummenacher, Ivo; Mondal, Abhishake; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","Bis-[cyclic(alkyl)(amino)carbene]-derived diradicals.","Chemical communications (Cambridge, England)","2024","60","13","1739","1742","10.1039/d3cc05779h","","","0.71073","MoKα","","0.0324","0.0296","","","0.0692","0.0719","","","","","","1.066","","","","has coordinates","290093","2024-03-04","19:51:01",""
"7132511","11.8035","0.0003","11.8153","0.0002","16.7982","0.0003","90","","104.459","0.002","90","","2268.51","0.08","250","2","250","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H31 F3 Li N O4 S -","- C18 H31 F3 Li N O4 S -","- C72 H124 F12 Li4 N4 O16 S4 -","4","1","","Nayak, Mithilesh Kumar; Elvers, Benedict J.; Mehta, Sakshi; Krummenacher, Ivo; Mondal, Abhishake; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","Bis-[cyclic(alkyl)(amino)carbene]-derived diradicals.","Chemical communications (Cambridge, England)","2024","60","13","1739","1742","10.1039/d3cc05779h","","","0.71073","MoKα","","0.0593","0.0445","","","0.1222","0.1299","","","","","","1.074","","","","has coordinates","290093","2024-03-04","19:51:01",""
"7132512","10.0875","0.0003","11.4427","0.0004","11.5307","0.0004","94.43","0.003","113.237","0.003","109.486","0.003","1118.94","0.08","250","2","250","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H31 F3 Li N O4 S -","- C19 H31 F3 Li N O4 S -","- C38 H62 F6 Li2 N2 O8 S2 -","2","1","","Nayak, Mithilesh Kumar; Elvers, Benedict J.; Mehta, Sakshi; Krummenacher, Ivo; Mondal, Abhishake; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","Bis-[cyclic(alkyl)(amino)carbene]-derived diradicals.","Chemical communications (Cambridge, England)","2024","60","13","1739","1742","10.1039/d3cc05779h","","","0.71073","MoKα","","0.0843","0.0549","","","0.1449","0.1589","","","","","","1.081","","","","has coordinates,has disorder","290093","2024-03-04","19:51:01",""
"7132513","13.0791","0.0002","12.0402","0.0001","12.4424","0.0001","90","","92.773","0.001","90","","1957.07","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H60 N2 O2 -","- C50 H60 N2 O2 -","- C100 H120 N4 O4 -","2","0.5","","Nayak, Mithilesh Kumar; Elvers, Benedict J.; Mehta, Sakshi; Krummenacher, Ivo; Mondal, Abhishake; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","Bis-[cyclic(alkyl)(amino)carbene]-derived diradicals.","Chemical communications (Cambridge, England)","2024","60","13","1739","1742","10.1039/d3cc05779h","","","1.54184","CuKα","","0.0618","0.0585","","","0.1574","0.1607","","","","","","1.063","","","","has coordinates","290093","2024-03-04","19:51:01",""
"7132514","22.9053","0.0008","14.0233","0.0006","16.6472","0.0007","90","","106.774","0.004","90","","5119.7","0.4","250","2","250","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H60 F6 N2 O8 S2 -","- C50 H60 F6 N2 O8 S2 -","- C200 H240 F24 N8 O32 S8 -","4","1","","Nayak, Mithilesh Kumar; Elvers, Benedict J.; Mehta, Sakshi; Krummenacher, Ivo; Mondal, Abhishake; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","Bis-[cyclic(alkyl)(amino)carbene]-derived diradicals.","Chemical communications (Cambridge, England)","2024","60","13","1739","1742","10.1039/d3cc05779h","","","0.71073","MoKα","","0.0964","0.0588","","","0.1591","0.1787","","","","","","1.047","","","","has coordinates,has disorder","290093","2024-03-04","19:51:01",""
"7132515","16.5142","0.0003","16.8828","0.0003","17.9517","0.0003","90.877","0.002","90.703","0.002","106.972","0.002","4785.76","0.15","123.01","0.1","123.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C104 H148 K2 Mg2 N4 O2 -","- C104 H148 K2 Mg2 N4 O2 -","- C208 H296 K4 Mg4 N8 O4 -","2","1","","Mondal, Rahul; Evans, Matthew J.; Nguyen, Dat T.; Rajeshkumar, Thayalan; Maron, Laurent; Jones, Cameron","Steric control of Mg-Mg bond formation <i>vs.</i> N<sub>2</sub> activation in the reduction of bulky magnesium diamide complexes.","Chemical communications (Cambridge, England)","2024","60","8","1016","1019","10.1039/d3cc05787a","","x-ray","1.54184","CuKα","","0.0971","0.0825","","","0.2127","0.2274","","","","","","1.021","","","","has coordinates,has disorder","289333","2024-02-04","11:05:44",""
"7132516","17.4631","0.0004","18.269","0.0003","19.28","0.0003","102.56","0.002","105.43","0.002","92.826","0.002","5749.7","0.2","123.01","0.1","123.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C113 H168 K2 Mg2 N4 O2 -","- C113 H168 K2 Mg2 N4 O2 -","- C226 H336 K4 Mg4 N8 O4 -","2","1","","Mondal, Rahul; Evans, Matthew J.; Nguyen, Dat T.; Rajeshkumar, Thayalan; Maron, Laurent; Jones, Cameron","Steric control of Mg-Mg bond formation <i>vs.</i> N<sub>2</sub> activation in the reduction of bulky magnesium diamide complexes.","Chemical communications (Cambridge, England)","2024","60","8","1016","1019","10.1039/d3cc05787a","","","1.54184","CuKα","","0.1254","0.0959","","","0.2554","0.2782","","","","","","1.098","","","","has coordinates,has disorder","289333","2024-02-04","11:05:45",""
"7132517","18.1842","0.0001","22.1675","0.0001","24.5607","0.0001","90","","90","","90","","9900.38","0.08","123","0.1","123","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C103 H144 K2 Mg2 N4 O3 -","- C103 H144 K2 Mg2 N4 O3 -","- C412 H576 K8 Mg8 N16 O12 -","4","1","","Mondal, Rahul; Evans, Matthew J.; Nguyen, Dat T.; Rajeshkumar, Thayalan; Maron, Laurent; Jones, Cameron","Steric control of Mg-Mg bond formation <i>vs.</i> N<sub>2</sub> activation in the reduction of bulky magnesium diamide complexes.","Chemical communications (Cambridge, England)","2024","60","8","1016","1019","10.1039/d3cc05787a","","x-ray","1.54184","CuKα","","0.0464","0.0438","","","0.1225","0.1266","","","","","","1.057","","","","has coordinates,has disorder","289333","2024-02-04","11:05:45",""
"7132518","58.863","0.002","9.9267","0.0001","34.1523","0.0012","90","","144.652","0.008","90","","11545","2","123.01","0.1","123.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C130 H162 K2 Mg2 N4 O4 -","- C130 H162 K2 Mg2 N4 O4 -","- C520 H648 K8 Mg8 N16 O16 -","4","0.5","","Mondal, Rahul; Evans, Matthew J.; Nguyen, Dat T.; Rajeshkumar, Thayalan; Maron, Laurent; Jones, Cameron","Steric control of Mg-Mg bond formation <i>vs.</i> N<sub>2</sub> activation in the reduction of bulky magnesium diamide complexes.","Chemical communications (Cambridge, England)","2024","60","8","1016","1019","10.1039/d3cc05787a","","x-ray","1.54184","CuKα","","0.0532","0.0468","","","0.1127","0.1165","","","","","","1.057","","","","has coordinates,has disorder","289333","2024-02-04","11:05:45",""
"7132519","13.0578","0.0003","13.4792","0.0004","13.9769","0.0003","67.548","0.002","70.378","0.002","81.771","0.002","2141.24","0.1","123.01","0.1","123.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C49 H68 N2 O -","- C49 H68 N2 O -","- C98 H136 N4 O2 -","2","1","","Mondal, Rahul; Evans, Matthew J.; Nguyen, Dat T.; Rajeshkumar, Thayalan; Maron, Laurent; Jones, Cameron","Steric control of Mg-Mg bond formation <i>vs.</i> N<sub>2</sub> activation in the reduction of bulky magnesium diamide complexes.","Chemical communications (Cambridge, England)","2024","60","8","1016","1019","10.1039/d3cc05787a","","x-ray","1.54184","CuKα","","0.0515","0.0482","","","0.1254","0.1284","","","","","","1.029","","","","has coordinates,has disorder","289333","2024-02-04","11:05:45",""
"7132520","19.617","0.004","21.324","0.004","25.718","0.005","90","","90","","90","","10758","4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C118 H178 K2 Mg2 N4 O4 -","- C118 H178 K2 Mg2 N4 O4 -","- C472 H712 K8 Mg8 N16 O16 -","4","0.5","","Mondal, Rahul; Evans, Matthew J.; Nguyen, Dat T.; Rajeshkumar, Thayalan; Maron, Laurent; Jones, Cameron","Steric control of Mg-Mg bond formation <i>vs.</i> N<sub>2</sub> activation in the reduction of bulky magnesium diamide complexes.","Chemical communications (Cambridge, England)","2024","60","8","1016","1019","10.1039/d3cc05787a","","","0.7109","Synchrotron","","0.0736","0.0646","","","0.1807","0.1901","","","","","","1.031","","","","has coordinates,has disorder","289333","2024-02-04","11:05:45",""
"7132521","15.804","0.003","30.856","0.006","21.944","0.004","90","","101.44","0.03","90","","10488","4","101","0.2","101","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H45 N8 O8.5 -","- C43 H45 N8 O8.5 -","- C344 H360 N64 O68 -","8","2","","Muang-Non, Phonlakrit; Zhou, Carmen; Macreadie, Lauren K.; White, Nicholas G.","Hydrogen-bonded frameworks containing aliphatic 3D linkers show high-capacity water vapour sorption.","Chemical communications (Cambridge, England)","2024","60","6","746","749","10.1039/d3cc05286a","","","0.71075","synchrotron","","0.1001","0.0906","","","0.2681","0.2767","","","","","","1.062","","","","has coordinates,has disorder","289357","2024-02-04","11:13:35",""
"7132522","23.5856","0.0015","23.5856","0.0015","7.525","0.0004","90","","90","","90","","4186","0.4","150","","150","","","","","","","","","4","P -4 n 2","P -4 -2n","118","","","","- C49 H44 N8 O8 -","- C49 H44 N8 O8 -","- C98 H88 N16 O16 -","2","0.25","","Muang-Non, Phonlakrit; Zhou, Carmen; Macreadie, Lauren K.; White, Nicholas G.","Hydrogen-bonded frameworks containing aliphatic 3D linkers show high-capacity water vapour sorption.","Chemical communications (Cambridge, England)","2024","60","6","746","749","10.1039/d3cc05286a","","","1.54184","CuKα","","0.0968","0.077","","","0.2132","0.2342","","","","","","1.014","","","","has coordinates","289357","2024-02-04","11:13:36",""
"7132523","13.879","0.005","12.595","0.004","27.719","0.012","90","","102.35","0.04","90","","4733","3","313.11","0.1","313.11","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C49 H44 N8 O8 -","- C49 H44 N8 O8 -","- C196 H176 N32 O32 -","4","0.5","","Muang-Non, Phonlakrit; Zhou, Carmen; Macreadie, Lauren K.; White, Nicholas G.","Hydrogen-bonded frameworks containing aliphatic 3D linkers show high-capacity water vapour sorption.","Chemical communications (Cambridge, England)","2024","60","6","746","749","10.1039/d3cc05286a","","x-ray","1.54184","CuKα","","0.1789","0.1102","","","0.2598","0.3184","","","","","","0.928","","","","has coordinates","289357","2024-02-04","11:13:36",""
"7132524","11.6434","0.0003","16.4405","0.0005","26.1717","0.0008","90","","96.002","0.002","90","","4982.4","0.3","149.99","0.1","149.99","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C49 H44 N8 O8 -","- C49 H44 N8 O8 -","- C196 H176 N32 O32 -","4","0.5","","Muang-Non, Phonlakrit; Zhou, Carmen; Macreadie, Lauren K.; White, Nicholas G.","Hydrogen-bonded frameworks containing aliphatic 3D linkers show high-capacity water vapour sorption.","Chemical communications (Cambridge, England)","2024","60","6","746","749","10.1039/d3cc05286a","","x-ray","1.54184","CuKα","","0.0989","0.0856","","","0.2519","0.2652","","","","","","1.043","","","","has coordinates,has disorder","289357","2024-02-04","11:13:36",""
"7132525","13.6429","0.0003","15.3717","0.0003","16.0809","0.0003","62.706","0.002","89.94","0.002","63.745","0.002","2600.16","0.13","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C49 H60 N8 O16 -","- C49 H60 N8 O16 -","- C98 H120 N16 O32 -","2","1","","Muang-Non, Phonlakrit; Zhou, Carmen; Macreadie, Lauren K.; White, Nicholas G.","Hydrogen-bonded frameworks containing aliphatic 3D linkers show high-capacity water vapour sorption.","Chemical communications (Cambridge, England)","2024","60","6","746","749","10.1039/d3cc05286a","","x-ray","1.54184","CuKα","","0.0522","0.0489","","","0.1267","0.1297","","","","","","1.03","","","","has coordinates","289357","2024-02-04","11:13:36",""
"7132526","19.5005","0.0019","7.9603","0.0006","18.992","0.002","90","","110.951","0.013","90","","2753.2","0.5","220","0.1","220","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H15 Br N2 O4 -","- C13 H15 Br N2 O4 -","- C104 H120 Br8 N16 O32 -","8","1","","Zhang, Congcong; Chen, Qinhao; Qin, Yunlong; Bu, Zhanwei; Wang, Qilin","Solvent-controlled halohydroxylation or C3-C2 coupling of pyridinium salts through an interrupted dearomative reduction.","Chemical communications (Cambridge, England)","2024","60","8","992","995","10.1039/d3cc05212e","","x-ray","0.71073","MoKα","","0.0543","0.0365","","","0.0771","0.0853","","","","","","1.069","","","","has coordinates","289329","2024-02-04","11:02:46",""
"7132527","10.5757","0.0003","12.8565","0.0003","10.0965","0.0003","90","","111.417","0.003","90","","1277.99","0.07","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Br N2 O3 -","- C13 H13 Br N2 O3 -","- C52 H52 Br4 N8 O12 -","4","1","","Zhang, Congcong; Chen, Qinhao; Qin, Yunlong; Bu, Zhanwei; Wang, Qilin","Solvent-controlled halohydroxylation or C3-C2 coupling of pyridinium salts through an interrupted dearomative reduction.","Chemical communications (Cambridge, England)","2024","60","8","992","995","10.1039/d3cc05212e","","x-ray","1.54184","CuKα","","0.0706","0.0681","","","0.2046","0.2098","","","","","","1.038","","","","has coordinates","289329","2024-02-04","11:02:47",""
"7132528","7.8851","0.0008","16.802","0.002","10.6416","0.0009","90","","111.647","0.011","90","","1310.4","0.3","200","0.1","200","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 Br N2 O3 S -","- C10 H15 Br N2 O3 S -","- C40 H60 Br4 N8 O12 S4 -","4","1","","Zhang, Congcong; Chen, Qinhao; Qin, Yunlong; Bu, Zhanwei; Wang, Qilin","Solvent-controlled halohydroxylation or C3-C2 coupling of pyridinium salts through an interrupted dearomative reduction.","Chemical communications (Cambridge, England)","2024","60","8","992","995","10.1039/d3cc05212e","","x-ray","0.71073","MoKα","","0.0505","0.0342","","","0.0705","0.0762","","","","","","1.024","","","","has coordinates,has disorder","289329","2024-02-04","11:02:47",""
"7132529","8.7417","0.0002","13.759","0.0002","9.4773","0.0002","90","","112.031","0.002","90","","1056.67","0.04","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 N4 O4 -","- C24 H24 N4 O4 -","- C48 H48 N8 O8 -","2","1","","Zhang, Congcong; Chen, Qinhao; Qin, Yunlong; Bu, Zhanwei; Wang, Qilin","Solvent-controlled halohydroxylation or C3-C2 coupling of pyridinium salts through an interrupted dearomative reduction.","Chemical communications (Cambridge, England)","2024","60","8","992","995","10.1039/d3cc05212e","","x-ray","1.54184","CuKα","","0.032","0.0315","","","0.0833","0.0838","","","","","","1.054","","","","has coordinates","289329","2024-02-04","11:02:47",""
"7132530","12.1802","0.0002","11.8247","0.0002","14.6931","0.0003","90","","90.067","0.002","90","","2116.2","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O3 -","- C12 H10 N2 O3 -","- C96 H80 N16 O24 -","8","2","","Zhang, Congcong; Chen, Qinhao; Qin, Yunlong; Bu, Zhanwei; Wang, Qilin","Solvent-controlled halohydroxylation or C3-C2 coupling of pyridinium salts through an interrupted dearomative reduction.","Chemical communications (Cambridge, England)","2024","60","8","992","995","10.1039/d3cc05212e","","x-ray","1.54184","CuKα","","0.0482","0.041","","","0.1063","0.1115","","","","","","1.053","","","","has coordinates","292638","2024-06-28","09:33:36",""
"7132531","21.656","0.0004","21.656","0.0004","7.6612","0.0002","90","","90","","120","","3111.6","0.11","100","0.17","100","0.17","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C20 H8 N6 Se2 Te -","- C20 H8 N6 Se2.0001 Te0.9999 -","- C40 H16 N12 Se4.0002 Te1.9998 -","2","0.0833333","","Eckstein, Brian J.; Martin, Hannah R.; Moghadasnia, Michael P.; Halder, Arijit; Melville, Michael J.; Buzinski, Tara N.; Balaich, Gary J.; McGuirk, C. Michael","Influence of donor point modifications on the assembly of chalcogen-bonded organic frameworks.","Chemical communications (Cambridge, England)","2024","60","6","758","761","10.1039/d3cc05162e","","x-ray","1.54184","CuKα","","0.0795","0.0794","","","0.178","0.1781","","","","","","1.1","","","","has coordinates,has disorder","289355","2024-02-04","11:12:29",""
"7132532","12.505","0.0003","36.9389","0.0007","7.7404","0.0002","90","","107.994","0.003","90","","3400.57","0.15","139.99","0.1","139.99","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Trip2Sez1Tez","Triptycene bis(1,2,5-selenadiazole) mono(1,25-telluradiazole)","","- C20 H8 N6 Se2 Te -","- C20 H8 N6 Se2 Te -","- C80 H32 N24 Se8 Te4 -","4","0.5","","Eckstein, Brian J.; Martin, Hannah R.; Moghadasnia, Michael P.; Halder, Arijit; Melville, Michael J.; Buzinski, Tara N.; Balaich, Gary J.; McGuirk, C. Michael","Influence of donor point modifications on the assembly of chalcogen-bonded organic frameworks.","Chemical communications (Cambridge, England)","2024","60","6","758","761","10.1039/d3cc05162e","","x-ray","0.71073","MoKα","","0.0688","0.0606","","","0.1636","0.1667","","","","","","1.123","","","","has coordinates","289355","2024-02-04","11:12:29",""
"7132533","21.529","0.003","21.529","0.003","7.653","0.0006","90","","90","","120","","3071.9","0.7","100.1","0.3","100.1","0.3","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C20 H8 N6 Se2 Te -","- C20 H8 N6 Se2.0001 Te0.9999 -","- C40 H16 N12 Se4.0002 Te1.9998 -","2","0.0833333","","Eckstein, Brian J.; Martin, Hannah R.; Moghadasnia, Michael P.; Halder, Arijit; Melville, Michael J.; Buzinski, Tara N.; Balaich, Gary J.; McGuirk, C. Michael","Influence of donor point modifications on the assembly of chalcogen-bonded organic frameworks.","Chemical communications (Cambridge, England)","2024","60","6","758","761","10.1039/d3cc05162e","","x-ray","1.54184","CuKα","","0.0913","0.0844","","","0.2314","0.2377","","","","","","1.112","","","","has coordinates,has disorder","289355","2024-02-04","11:12:29",""
"7132534","42.402","0.004","11.4012","0.0012","16.4543","0.0016","90","","90","","90","","7954.6","1.4","150.02","","150.02","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C37 H31 Cl8 Ga N2 P2 -","- C37 H31 Cl8 Ga N2 P2 -","- C296 H248 Cl64 Ga8 N16 P16 -","8","2","","Kim, Hyehwang; Lough, Alan; Qu, Zheng-Wang; Grimme, Stefan; Stephan, Douglas W.","Addition and NN bond cleavage of diazo-compounds by phosphino-phosphenium cations.","Chemical communications (Cambridge, England)","2024","60","8","1031","1034","10.1039/d3cc05728c","","","0.71073","MoKα","","0.1013","0.0521","","","0.1007","0.1155","","","","","","0.9821","","","","has coordinates","289330","2024-02-04","11:04:16",""
"7132535","9.9147","0.0007","18.9028","0.0013","23.475","0.0017","68.039","0.003","85.656","0.003","76.81","0.003","3972.5","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H70 Cl8 Ga2 N10 O P4 -","- C76 H70 Cl8 Ga2 N10 O P4 -","- C152 H140 Cl16 Ga4 N20 O2 P8 -","2","1","","Kim, Hyehwang; Lough, Alan; Qu, Zheng-Wang; Grimme, Stefan; Stephan, Douglas W.","Addition and NN bond cleavage of diazo-compounds by phosphino-phosphenium cations.","Chemical communications (Cambridge, England)","2024","60","8","1031","1034","10.1039/d3cc05728c","","","1.54178","CuKα","","0.0642","0.0532","","","0.1339","0.142","","","","","","1.057","","","","has coordinates,has disorder","289330","2024-02-04","11:04:16",""
"7132536","11.2788","0.001","13.1565","0.0012","16.1265","0.0015","95.445","0.006","108.409","0.005","91.577","0.006","2256.1","0.4","149.98","","149.98","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H51 Cl4 Ga N2 O2 P2 -","- C40 H41 Cl4 Ga N2 O P2 -","- C80 H82 Cl8 Ga2 N4 O2 P4 -","2","1","","Kim, Hyehwang; Lough, Alan; Qu, Zheng-Wang; Grimme, Stefan; Stephan, Douglas W.","Addition and NN bond cleavage of diazo-compounds by phosphino-phosphenium cations.","Chemical communications (Cambridge, England)","2024","60","8","1031","1034","10.1039/d3cc05728c","","","0.71073","MoKα","","0.1215","0.0787","","","0.185","0.2169","","","","","","1.0831","","","","has coordinates","289330","2024-02-04","11:04:16",""
"7132537","9.792","0.007","10.064","0.007","12.02","0.008","96.899","0.017","93.763","0.019","95.349","0.014","1167.3","1.4","150.02","","150.02","","","","","","","","","7","P 1","P 1","1","","","","- C41 H45 Cl6 Ga N2 O4 P2 -","- C41 H45 Cl6 Ga N2 O4 P2 -","- C41 H45 Cl6 Ga N2 O4 P2 -","1","1","","Kim, Hyehwang; Lough, Alan; Qu, Zheng-Wang; Grimme, Stefan; Stephan, Douglas W.","Addition and NN bond cleavage of diazo-compounds by phosphino-phosphenium cations.","Chemical communications (Cambridge, England)","2024","60","8","1031","1034","10.1039/d3cc05728c","","","0.71073","MoKα","","0.0863","0.057","","","0.1295","0.1445","","","","","","1.0272","","","","has coordinates,has disorder","289330","2024-02-04","11:04:16",""
"7132538","12.1657","0.0009","18.5693","0.0011","19.1345","0.0013","90","","102.701","0.005","90","","4216.9","0.5","150.02","","150.02","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C43 H33.5 Cl4 F2 Ga N3 P2 -","- C43 H33.5 Cl4 F2 Ga N3 P2 -","- C172 H134 Cl16 F8 Ga4 N12 P8 -","4","2","","Kim, Hyehwang; Lough, Alan; Qu, Zheng-Wang; Grimme, Stefan; Stephan, Douglas W.","Addition and NN bond cleavage of diazo-compounds by phosphino-phosphenium cations.","Chemical communications (Cambridge, England)","2024","60","8","1031","1034","10.1039/d3cc05728c","","","0.71073","MoKα","","0.1302","0.0676","","","0.1489","0.1843","","","","","","1.0654","","","","has coordinates","289330","2024-02-04","11:04:16",""
"7132539","15.7613","0.0002","13.63024","0.00018","21.2238","0.0018","90","","89.397","0.003","90","","4559.3","0.4","119.99","0.1","119.99","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C78 H140 Al2 K2 N4 O10 Si4 -","- C78 H140 Al2 K2 N4 O10 Si4 -","- C156 H280 Al4 K4 N8 O20 Si8 -","2","1","","O'Reilly, Andrea; Gardiner, Michael G.; McMullin, Claire L.; Fulton, J. Robin; Coles, Martyn P.","Aluminyl derived ethene functionalization with heteroallenes, leading to an intramolecular ligand rearrangement.","Chemical communications (Cambridge, England)","2024","60","7","881","884","10.1039/d3cc05785b","","x-ray","1.54184","CuKα","","0.0281","0.0269","","","0.0741","0.0745","","","","","","1.052","","","","has coordinates,has disorder","289363","2024-02-04","11:15:54",""
"7132540","13.45606","0.00016","23.22737","0.00019","19.4534","0.0002","90","","108.146","0.0013","90","","5777.75","0.11","120","0.1","120","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C116 H170 Al2 K2 N8 O2 Si4 -","- C116 H170 Al2 K2 N8 O2 Si4 -","- C232 H340 Al4 K4 N16 O4 Si8 -","2","0.5","","O'Reilly, Andrea; Gardiner, Michael G.; McMullin, Claire L.; Fulton, J. Robin; Coles, Martyn P.","Aluminyl derived ethene functionalization with heteroallenes, leading to an intramolecular ligand rearrangement.","Chemical communications (Cambridge, England)","2024","60","7","881","884","10.1039/d3cc05785b","","x-ray","1.54184","CuKα","","0.0418","0.0371","","","0.0953","0.1","","","","","","1.016","","","","has coordinates","289363","2024-02-04","11:15:55",""
"7132541","21.7767","0.0002","16.40993","0.00013","25.5079","0.0002","90","","98.7193","0.0009","90","","9010.01","0.13","120","0.1","120","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C85 H146 Al2 K2 N8 O3 Si4 -","- C85 H146 Al2 K2 N8 O3 Si4 -","- C340 H584 Al8 K8 N32 O12 Si16 -","4","1","","O'Reilly, Andrea; Gardiner, Michael G.; McMullin, Claire L.; Fulton, J. Robin; Coles, Martyn P.","Aluminyl derived ethene functionalization with heteroallenes, leading to an intramolecular ligand rearrangement.","Chemical communications (Cambridge, England)","2024","60","7","881","884","10.1039/d3cc05785b","","x-ray","1.54184","CuKα","","0.0468","0.0432","","","0.1142","0.1172","","","","","","1.059","","","","has coordinates,has disorder","289363","2024-02-04","11:15:55",""
"7132542","14.567","0.003","22.094","0.004","18.901","0.004","90","","105.02","0.03","90","","5875","2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C118 H89 B2 F8 N19 Pd2 -","- C118 H89 B2 F8 N19 Pd2 -","- C236 H178 B4 F16 N38 Pd4 -","2","1","","Wu, Meng-Xiang; Hong, Qiong-Yan; Li, Minghui; Jiang, Wei-Ling; Huang, Bin; Lu, Shuai; Wang, Heng; Yang, Hai-Bo; Zhao, Xiao-Li; Shi, Xueliang","Self-assembly of conformation-adaptive dihydrophenazine-based coordination cages.","Chemical communications (Cambridge, England)","2024","60","9","1184","1187","10.1039/d3cc04864k","","","0.71073","MoKα","","0.0981","0.0931","","","0.2469","0.2499","","","","","","1.012","","","","has coordinates","289378","2024-02-04","11:21:09",""
"7132543","13.1218","0.0006","7.9693","0.0004","15.0239","0.0009","90","","98.834","0.005","90","","1552.44","0.14","173","0.1","173","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 Cl4 N4 -","- C36 H28 Cl4 N4 -","- C72 H56 Cl8 N8 -","2","0.5","","Wu, Meng-Xiang; Hong, Qiong-Yan; Li, Minghui; Jiang, Wei-Ling; Huang, Bin; Lu, Shuai; Wang, Heng; Yang, Hai-Bo; Zhao, Xiao-Li; Shi, Xueliang","Self-assembly of conformation-adaptive dihydrophenazine-based coordination cages.","Chemical communications (Cambridge, England)","2024","60","9","1184","1187","10.1039/d3cc04864k","","x-ray","1.54184","CuKα","","0.0947","0.0763","","","0.1969","0.2107","","","","","","1.081","","","","has coordinates","289378","2024-02-04","11:21:09",""
"7132544","26.38","0.004","7.7267","0.0009","12.814","0.0017","90","","98.307","0.013","90","","2584.5","0.6","173","0.1","173","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C29.5 H24 Cl3 N4 -","- C29.5 H24 Cl3 N4 -","- C118 H96 Cl12 N16 -","4","1","","Wu, Meng-Xiang; Hong, Qiong-Yan; Li, Minghui; Jiang, Wei-Ling; Huang, Bin; Lu, Shuai; Wang, Heng; Yang, Hai-Bo; Zhao, Xiao-Li; Shi, Xueliang","Self-assembly of conformation-adaptive dihydrophenazine-based coordination cages.","Chemical communications (Cambridge, England)","2024","60","9","1184","1187","10.1039/d3cc04864k","","x-ray","1.54184","CuKα","","0.1625","0.0958","","","0.2678","0.3543","","","","","","1.153","","","","has coordinates,has disorder","289378","2024-02-04","11:21:09",""
"7132545","16.7748","0.0003","28.6322","0.0005","29.6738","0.0005","110.451","0.001","94.927","0.001","100.329","0.001","12965.9","0.4","307","2","307","","","","","","","","","6","P -1","-P 1","2","","","","- C204 H144 B6 F24 N24 Pd3 -","- C204 H144 B6 F24 N24 Pd3 -","- C408 H288 B12 F48 N48 Pd6 -","2","1","","Wu, Meng-Xiang; Hong, Qiong-Yan; Li, Minghui; Jiang, Wei-Ling; Huang, Bin; Lu, Shuai; Wang, Heng; Yang, Hai-Bo; Zhao, Xiao-Li; Shi, Xueliang","Self-assembly of conformation-adaptive dihydrophenazine-based coordination cages.","Chemical communications (Cambridge, England)","2024","60","9","1184","1187","10.1039/d3cc04864k","","","1.34139","GaKα","","0.2494","0.1022","","","0.2379","0.309","","","","","","0.961","","","","has coordinates,has disorder","289378","2024-02-04","11:21:09",""
"7132546","18.3295","0.0003","10.5061","0.0002","18.8191","0.0003","90","","90","","90","","3624.02","0.11","300.49","0.1","300.49","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C18 H16 Br N O2 S2 -","- C18 H16 Br N O2 S2 -","- C144 H128 Br8 N8 O16 S16 -","8","1","","Chen, Xi; Li, Rui-Peng; Long, Peng; Tang, Yuxi; Li, Jia; Tang, Shouchu","Indium-catalyzed inter- and intramolecular dithianyl-alkyne metathesis reactions.","Chemical communications (Cambridge, England)","2024","60","10","1285","1288","10.1039/d3cc05622h","","x-ray","1.54184","CuKα","","0.0472","0.0435","","","0.1201","0.1231","","","","","","1.077","","","","has coordinates","289317","2024-02-04","10:59:55",""
"7132547","16.63492","0.00009","11.85014","0.00007","24.83906","0.00014","90","","90.9154","0.0005","90","","4895.8","0.05","100.15","","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H61 Cl0.08 F0.92 N6 Th -","- C61 H61 Cl0.08 F0.92 N6 Th -","- C244 H244 Cl0.32 F3.68 N24 Th4 -","4","1","","Mangel, Daniel N.; Brewster, James T.; Juarez, Gabriel J.; Lynch, Vincent M.; Sessler, Jonathan L.","Cyclopentadienyl capped thorium(IV) porphyrinoid complex.","Chemical communications (Cambridge, England)","2024","60","8","1020","1022","10.1039/d3cc05283d","","","1.54184","CuKα","","0.0311","0.0303","","","0.081","0.0819","","","","","","1.058","","","","has coordinates","289331","2024-02-04","11:04:30",""
"7132548","14.3339","0.0012","14.7275","0.0009","17.9016","0.0011","92.412","0.005","90.923","0.006","117.468","0.007","3347.4","0.5","99.9","0.6","99.9","0.6","","","","","","","","5","P -1","-P 1","2","","","","- C78 H82 N6 O6 Th -","- C70 H66 N6 O4 Th -","- C140 H132 N12 O8 Th2 -","2","1","","Mangel, Daniel N.; Brewster, James T.; Juarez, Gabriel J.; Lynch, Vincent M.; Sessler, Jonathan L.","Cyclopentadienyl capped thorium(IV) porphyrinoid complex.","Chemical communications (Cambridge, England)","2024","60","8","1020","1022","10.1039/d3cc05283d","","x-ray","1.54184","CuKα","","0.1376","0.0994","","","0.2335","0.2638","","","","","","1.035","","","","has coordinates","289331","2024-02-04","11:04:31",""
"7132549","8.385","0.002","10.473","0.003","10.511","0.003","109.339","0.003","92.044","0.003","102.717","0.003","843.7","0.4","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H14 N O P S -","- C19 H14 N O P S -","- C38 H28 N2 O2 P2 S2 -","2","1","","Sun, Guangping; Li, Menghang; Cai, Lijuan; Zhu, Jinli; Tang, Yanfeng; Yao, Yong","Carbazole-based artificial light-harvesting system for photocatalytic cross-coupling dehydrogenation reaction.","Chemical communications (Cambridge, England)","2024","60","11","1412","1415","10.1039/d3cc05405e","","","0.71073","MoKα","","0.0396","0.0363","","","0.0929","0.097","","","","","","1.098","","","","has coordinates","289388","2024-02-04","11:23:48",""
"7132550","21.0215","0.0002","22.1806","0.0002","35.4832","0.0003","88.101","0.001","74.928","0.001","87.324","0.001","15954.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C296 H122 Ag27 Au34 F68 P -","- C296 H122 Ag27 Au34 F68 P -","- C592 H244 Ag54 Au68 F136 P2 -","2","1","","Deng, Guocheng; Ki, Taeyoung; Liu, Xiaolin; Chen, Yuping; Lee, Kangjae; Yoo, Seungwoo; Tang, Qing; Bootharaju, Megalamane S.; Hyeon, Taeghwan","Tailoring the subshell and electronic structure of an atomically precise AuAg alloy nanocluster.","Chemical communications (Cambridge, England)","2024","60","10","1289","1292","10.1039/d3cc04432g","","x-ray","1.54184","CuKα","","0.1213","0.1081","","","0.2649","0.2746","","","","","","1.12","","","","has coordinates","289318","2024-02-04","11:00:15",""
"7132551","8.6132","0.0006","14.1366","0.0011","15.1958","0.0012","103.568","0.005","105.921","0.004","102.22","0.004","1652.5","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H62 N14 O18 S2 -","- C62 H58 N14 O18 S2 -","- C62 H58 N14 O18 S2 -","1","0.5","","Zhang, Xin; Mao, Lijun; He, Rongjing; Shi, Yanting; Li, Lingyi; Li, Shuo; Zhu, Chenghao; Zhang, Yanjing; Ma, Da","Tunable cyclic operation of dissipative molecular switches based on anion recognition.","Chemical communications (Cambridge, England)","2024","60","9","1180","1183","10.1039/d3cc05912j","","","1.54178","CuKα","","0.0687","0.0519","","","0.1303","0.1452","","","","","","1.023","","","","has coordinates","289377","2024-02-04","11:20:48",""
"7132552","13.3084","0.0013","13.6054","0.0013","16.2398","0.0016","76.297","0.004","82.378","0.004","61.662","0.003","2513.7","0.4","170","2","170","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H68 B10 N4 S2 Si2 -","- C44 H68 B10 N4 S2 Si2 -","- C88 H136 B20 N8 S4 Si4 -","2","1","","Liu, Rui; Mondal, Kartik Chandra; Wang, Chenfeng; Suthar, Sonam; Fang, Zijie; Zuo, Darui; Li, Yan","Synthesis of SiN/SiS-heterocycles <i>via</i> the reactions of a bis-silylene with isocyanate/isothiocyanate molecules.","Chemical communications (Cambridge, England)","2024","60","9","1148","1151","10.1039/d3cc04950g","","","0.71073","MoKα","","0.0879","0.0557","","","0.1236","0.1415","","","","","","1.02","","","","has coordinates","289372","2024-02-04","11:19:22",""
"7132553","14.118","0.003","18.777","0.004","20.911","0.004","90","","99.975","0.007","90","","5460","2","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H64 B10 F6 N6 O3 Si2 -","- C48 H64 B10 F6 N6 O3 Si2 -","- C192 H256 B40 F24 N24 O12 Si8 -","4","1","","Liu, Rui; Mondal, Kartik Chandra; Wang, Chenfeng; Suthar, Sonam; Fang, Zijie; Zuo, Darui; Li, Yan","Synthesis of SiN/SiS-heterocycles <i>via</i> the reactions of a bis-silylene with isocyanate/isothiocyanate molecules.","Chemical communications (Cambridge, England)","2024","60","9","1148","1151","10.1039/d3cc04950g","","","0.71073","MoKα","","0.1969","0.1204","","","0.2013","0.2405","","","","","","1.109","","","","has coordinates","289372","2024-02-04","11:19:23",""
"7132554","12.922","0.005","17.399","0.008","21.674","0.008","90","","104.21","0.013","90","","4724","3","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H63 B10 N5 O3 Si2 -","- C40 H63 B10 N5 O3 Si2 -","- C160 H252 B40 N20 O12 Si8 -","4","1","","Liu, Rui; Mondal, Kartik Chandra; Wang, Chenfeng; Suthar, Sonam; Fang, Zijie; Zuo, Darui; Li, Yan","Synthesis of SiN/SiS-heterocycles <i>via</i> the reactions of a bis-silylene with isocyanate/isothiocyanate molecules.","Chemical communications (Cambridge, England)","2024","60","9","1148","1151","10.1039/d3cc04950g","","","0.71073","MoKα","","0.0678","0.0452","","","0.1013","0.1148","","","","","","1.032","","","","has coordinates","289372","2024-02-04","11:19:23",""
"7132555","11.741","0.001","17.4714","0.0016","18.7329","0.0018","112.618","0.003","101.299","0.003","100.144","0.003","3341.5","0.5","170","","170","","","","","","","","","7","P -1","-P 1","2","","","","- C64 H88.54 B10 N6 O2 S2 Si2 -","- C64 H88.544 B10 N6 O2 S2 Si2 -","- C128 H177.088 B20 N12 O4 S4 Si4 -","2","1","","Liu, Rui; Mondal, Kartik Chandra; Wang, Chenfeng; Suthar, Sonam; Fang, Zijie; Zuo, Darui; Li, Yan","Synthesis of SiN/SiS-heterocycles <i>via</i> the reactions of a bis-silylene with isocyanate/isothiocyanate molecules.","Chemical communications (Cambridge, England)","2024","60","9","1148","1151","10.1039/d3cc04950g","","","0.71073","MoKα","","0.132","0.111","","","0.2895","0.3058","","","","","","1.069","","","","has coordinates,has disorder","289372","2024-02-04","11:19:23",""
"7132556","12.2822","0.0007","20.2269","0.0011","25.5456","0.0013","90","","90.955","0.002","90","","6345.4","0.6","170","2","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H87 B10 N6 O3 Si2 -","- C62 H87 B10 N6 O3 Si2 -","- C248 H348 B40 N24 O12 Si8 -","4","1","","Liu, Rui; Mondal, Kartik Chandra; Wang, Chenfeng; Suthar, Sonam; Fang, Zijie; Zuo, Darui; Li, Yan","Synthesis of SiN/SiS-heterocycles <i>via</i> the reactions of a bis-silylene with isocyanate/isothiocyanate molecules.","Chemical communications (Cambridge, England)","2024","60","9","1148","1151","10.1039/d3cc04950g","","","0.71073","MoKα","","0.079","0.0519","","","0.1192","0.1358","","","","","","1.04","","","","has coordinates,has disorder","289372","2024-02-04","11:19:23",""
"7132557","15.8355","0.0012","10.979","0.0009","9.9081","0.0007","90","","100.451","0.002","90","","1694","0.2","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2.15 H3.08 B1.54 -","- C2.15385 H3.07692 B1.53846 -","- C56 H80 B40 -","26","6.5","","Yang, Han-Bo; Guo, Yan; Cao, Ke; Jiang, Qi-Jia; Teng, Chao-Chao; Zhu, Dao-Yong; Wang, Shao-Hua","Iridium-catalyzed selective arylation of B(6)-H of 3-aryl-<i>o</i>-carboranes with arylboronic acid <i>via</i> direct B-H activation.","Chemical communications (Cambridge, England)","2024","60","9","1124","1127","10.1039/d3cc05630a","","","0.71073","MoKα","","0.1311","0.0673","","","0.141","0.1764","","","","","","1.029","","","","has coordinates","289373","2024-02-04","11:19:36",""
"7132558","21.59","0.004","20.575","0.003","13.578","0.002","90","","97.516","0.005","90","","5979.7","1.7","193","","193","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C61 H74 O10 S4 -","- C61 H74 O10 S4 -","- C244 H296 O40 S16 -","4","0.5","","Zhao, Xueru; Hua, Bin; Shao, Li","Constructing a solid-state supramolecular polymer based on host-guest recognition between perethylated pillar[5]arene and tetrathiafulvalene.","Chemical communications (Cambridge, England)","2024","60","9","1164","1167","10.1039/d3cc03579d","","","0.71073","MoKα","","0.2097","0.1555","","","0.4375","0.5004","","","","","","1.146","","","","has coordinates,has disorder","289375","2024-02-04","11:20:13",""
"7132559","6.8847","0.0003","8.411","0.0003","12.8724","0.0004","92.96","0.003","101.422","0.003","105.459","0.003","699.89","0.05","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Cd O2 S2 -","- C14 H14 Cd O2 S2 -","- C28 H28 Cd2 O4 S4 -","2","1","","Nishibe, Asuka; Akiyoshi, Ryohei; Saeki, Akinori; Ogasawara, Kazuyoshi; Tsuruoka, Takaaki; Tanaka, Daisuke","Engineering of CdS-chain arrays assembled through S⋯S interactions in 1D semiconductive coordination polymers.","Chemical communications (Cambridge, England)","2024","60","10","1277","1280","10.1039/d3cc05689a","","x-ray","0.71073","MoKα","","0.0287","0.0233","","","0.055","0.0577","","","","","","1.054","","","","has coordinates","289316","2024-02-04","10:59:46",""
"7132560","35.4228","0.001","16.8199","0.0004","7.2761","0.0002","90","","90","","90","","4335.2","0.2","293","","293","","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C14 H14 Cd O2 S2 -","- C14 H14 Cd O2 S2 -","- C168 H168 Cd12 O24 S24 -","12","1.5","","Nishibe, Asuka; Akiyoshi, Ryohei; Saeki, Akinori; Ogasawara, Kazuyoshi; Tsuruoka, Takaaki; Tanaka, Daisuke","Engineering of CdS-chain arrays assembled through S⋯S interactions in 1D semiconductive coordination polymers.","Chemical communications (Cambridge, England)","2024","60","10","1277","1280","10.1039/d3cc05689a","","x-ray","1.54184","CuKα","","0.0605","0.0429","","","0.1066","0.1175","","","","","","1.007","","","","has coordinates","289316","2024-02-04","10:59:47",""
"7132561","28.1725","0.0006","13.9425","0.0003","7.0402","0.0002","90","","90","","90","","2765.36","0.11","150","","150","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C14 H14 Cd O2 S2 -","- C14 H14 Cd O2 S2 -","- C112 H112 Cd8 O16 S16 -","8","1","","Nishibe, Asuka; Akiyoshi, Ryohei; Saeki, Akinori; Ogasawara, Kazuyoshi; Tsuruoka, Takaaki; Tanaka, Daisuke","Engineering of CdS-chain arrays assembled through S⋯S interactions in 1D semiconductive coordination polymers.","Chemical communications (Cambridge, England)","2024","60","10","1277","1280","10.1039/d3cc05689a","","x-ray","0.71073","MoKα","","0.029","0.0278","","","0.0698","0.0702","","","","","","1.247","","","","has coordinates","289316","2024-02-04","10:59:47",""
"7132562","17.137","0.001","23.973","0.002","15.008","0.001","90","","90.389","0.008","90","","6165.5","0.8","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C76 Cl28 -","- C76 Cl28 -","- C304 Cl112 -","4","0.5","","Brotsman, Victor A.; Troyanov, Sergey I.","Non-classical (NC), heptagon-containing fullerenes obtained <i>via</i> chlorination-promoted cage transformations: C<sub>76</sub>(NC2a)Cl<sub>24</sub> and C<sub>76</sub>(NC2b)Cl<sub>28</sub>.","Chemical communications (Cambridge, England)","2024","60","7","893","896","10.1039/d3cc05336a","","","0.85507","synchrotron","","0.0483","0.0452","","","0.1041","0.106","","","","","","1.015","","","","has coordinates","289362","2024-02-04","11:15:32",""
"7132563","23.672","0.001","21.259","0.001","16.433","0.001","90","","131.763","0.009","90","","6168.5","1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C83 H8 Cl24 -","- C83 Cl24 -","- C332 Cl96 -","4","0.5","","Brotsman, Victor A.; Troyanov, Sergey I.","Non-classical (NC), heptagon-containing fullerenes obtained <i>via</i> chlorination-promoted cage transformations: C<sub>76</sub>(NC2a)Cl<sub>24</sub> and C<sub>76</sub>(NC2b)Cl<sub>28</sub>.","Chemical communications (Cambridge, England)","2024","60","7","893","896","10.1039/d3cc05336a","","","0.895","synchrotron","","0.0582","0.0423","","","0.112","0.1186","","","","","","1.07","","","","has coordinates","289362","2024-02-04","11:15:32",""
"7132564","27.071","0.009","13.5223","0.0006","7.5005","0.0004","90","","90","","90","","2745.6","0.9","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C34 H21 F6 N O -","- C34 H21 F6 N O -","- C136 H84 F24 N4 O4 -","4","1","","Barhate, Komal Vasant; Wadawale, Amey P.; Chandrakumar, K. R. S.; Agarwal, Neeraj","Modulation of Δ<i>E</i><sub>ST</sub> and room temperature phosphorescence in carbazole derivatives.","Chemical communications (Cambridge, England)","2024","60","11","1408","1411","10.1039/d3cc05119f","","x-ray","1.54184","CuKα","","0.0874","0.0651","","","0.2021","0.2847","","","","","","1.301","","","","has coordinates,has disorder","289386","2024-02-04","11:23:31",""
"7132565","14.5446","0.0001","21.9876","0.0005","7.5051","0.0001","90","","101.383","0.001","90","","2352.93","0.06","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 F2 N O -","- C32 H21 F2 N O -","- C128 H84 F8 N4 O4 -","4","1","","Barhate, Komal Vasant; Wadawale, Amey P.; Chandrakumar, K. R. S.; Agarwal, Neeraj","Modulation of Δ<i>E</i><sub>ST</sub> and room temperature phosphorescence in carbazole derivatives.","Chemical communications (Cambridge, England)","2024","60","11","1408","1411","10.1039/d3cc05119f","","x-ray","1.54184","CuKα","","0.0936","0.0791","","","0.2417","0.2643","","","","","","1.031","","","","has coordinates","289386","2024-02-04","11:23:31",""
"7132566","13.4199","0.0015","20.874","0.002","23.345","0.003","96.6727","0.0019","97.517","0.0019","107.576","0.0019","6096.2","1.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C57 H74.5 Br2.94 Cl1.06 Mg N5.5 O4 Zn2 -","- C57 H74.5 Br2.9365 Cl1.0635 Mg N5.5 O4 Zn2 -","- C228 H298 Br11.746 Cl4.254 Mg4 N22 O16 Zn8 -","4","2","","Banks, Henry J. S.; Frese, Josef W. A.; Elsegood, Mark R. J.; Redshaw, Carl","Mixed-magnesium/zinc calix[4]arene complexes: structure, and ring opening polymerisation studies.","Chemical communications (Cambridge, England)","2024","60","3","304","307","10.1039/d3cc04899c","","","0.71073","MoKα","","0.1022","0.0512","","","0.104","0.1213","","","","","","1.026","","","","has coordinates,has disorder","288609","2024-01-02","23:00:37",""
"7132567","28.44051","0.00012","33.62784","0.00006","12.56775","0.00013","90","","90","","90","","12019.7","0.14","100","2","100","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C108.92 H138.37 Br2.52 Cl0.48 Mg3 N10.46 O10 Zn3 -","- C100.916 H126.374 Br2.516 Cl0.484 Mg3 N6.458 O10 Zn3 -","- C403.664 H505.496 Br10.064 Cl1.936 Mg12 N25.832 O40 Zn12 -","4","0.5","","Banks, Henry J. S.; Frese, Josef W. A.; Elsegood, Mark R. J.; Redshaw, Carl","Mixed-magnesium/zinc calix[4]arene complexes: structure, and ring opening polymerisation studies.","Chemical communications (Cambridge, England)","2024","60","3","304","307","10.1039/d3cc04899c","","","1.54178","CuKα","","0.0737","0.0718","","","0.2038","0.2053","","","","","","1.057","","","","has coordinates,has disorder","288609","2024-01-02","23:00:38",""
"7132568","17.175","0.0019","23.5379","0.0014","25.6364","0.0016","89.281","0.005","73.491","0.007","87.287","0.007","9925.5","1.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C200 H259 Mg5 N7 O20 Zn2 -","- C199 H257.5 Mg5 N6.5 O20 Zn2 -","- C398 H515 Mg10 N13 O40 Zn4 -","2","1","","Banks, Henry J. S.; Frese, Josef W. A.; Elsegood, Mark R. J.; Redshaw, Carl","Mixed-magnesium/zinc calix[4]arene complexes: structure, and ring opening polymerisation studies.","Chemical communications (Cambridge, England)","2024","60","3","304","307","10.1039/d3cc04899c","","","1.54178","CuKα","","0.3375","0.2453","","","0.5894","0.6853","","","","","","1.018","","","","has coordinates,has disorder","288609","2024-01-02","23:00:38",""
"7132569","19.81378","0.00008","25.56149","0.00011","24.42596","0.0001","90","","108.387","0.0004","90","","11739.5","0.09","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C112.37 H147.56 Br3.42 Cl0.58 Mg2 N9.19 O10 Zn4 -","- C112.372 H147.558 Br3.418 Cl0.582 Mg2 N9.186 O10 Zn4 -","- C449.488 H590.232 Br13.672 Cl2.328 Mg8 N36.744 O40 Zn16 -","4","1","","Banks, Henry J. S.; Frese, Josef W. A.; Elsegood, Mark R. J.; Redshaw, Carl","Mixed-magnesium/zinc calix[4]arene complexes: structure, and ring opening polymerisation studies.","Chemical communications (Cambridge, England)","2024","60","3","304","307","10.1039/d3cc04899c","","","1.54178","CuKα","","0.0622","0.058","","","0.1622","0.1652","","","","","","1.072","","","","has coordinates,has disorder","288609","2024-01-02","23:00:39",""
"7132570","18.5043","0.0018","8.0564","0.0008","18.619","0.0019","90","","103.185","0.004","90","","2702.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 N O3 S -","- C36 H29 N O3 S -","- C144 H116 N4 O12 S4 -","4","1","","Nakate, Ashwini K.; Kataria, Priyanka; Sambherao, Pooja I.; Krishna, Gamidi Rama; Kontham, Ravindar","Divergent access to polycyclic spiro- and fused-<i>N</i>,O-ketals through Bi(OTf)<sub>3</sub>-catalyzed [4+2]-annulation of cyclic <i>N</i>-sulfonyl ketimines and alkynols.","Chemical communications (Cambridge, England)","2024","60","9","1144","1147","10.1039/d3cc05599j","","","0.71073","MoKα","","0.0528","0.0427","","","0.0985","0.1045","","","","","","1.056","","","","has coordinates","289376","2024-02-04","11:20:36",""
"7132571","10.2093","0.0005","12.452","0.0006","14.4031","0.0006","90","","90","","90","","1831.01","0.15","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O3 S -","- C21 H23 N O3 S -","- C84 H92 N4 O12 S4 -","4","1","","Nakate, Ashwini K.; Kataria, Priyanka; Sambherao, Pooja I.; Krishna, Gamidi Rama; Kontham, Ravindar","Divergent access to polycyclic spiro- and fused-<i>N</i>,O-ketals through Bi(OTf)<sub>3</sub>-catalyzed [4+2]-annulation of cyclic <i>N</i>-sulfonyl ketimines and alkynols.","Chemical communications (Cambridge, England)","2024","60","9","1144","1147","10.1039/d3cc05599j","","","1.54178","CuKα","","0.0342","0.0341","","","0.0872","0.0874","","","","","","1.067","","","","has coordinates","289376","2024-02-04","11:20:38",""
"7132572","10.2361","0.0015","18.336","0.003","10.7234","0.0018","90","","98.878","0.007","90","","1988.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 N O4 S -","- C23 H25 N O4 S -","- C92 H100 N4 O16 S4 -","4","1","","Nakate, Ashwini K.; Kataria, Priyanka; Sambherao, Pooja I.; Krishna, Gamidi Rama; Kontham, Ravindar","Divergent access to polycyclic spiro- and fused-<i>N</i>,O-ketals through Bi(OTf)<sub>3</sub>-catalyzed [4+2]-annulation of cyclic <i>N</i>-sulfonyl ketimines and alkynols.","Chemical communications (Cambridge, England)","2024","60","9","1144","1147","10.1039/d3cc05599j","","","0.71073","MoKα","","0.0367","0.0338","","","0.096","0.1087","","","","","","1.188","","","","has coordinates","289376","2024-02-04","11:20:38",""
"7132573","10.9271","0.001","16.5749","0.0017","10.9904","0.001","90","","93.352","0.003","90","","1987.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 N O3 S -","- C25 H23 N O3 S -","- C100 H92 N4 O12 S4 -","4","1","","Nakate, Ashwini K.; Kataria, Priyanka; Sambherao, Pooja I.; Krishna, Gamidi Rama; Kontham, Ravindar","Divergent access to polycyclic spiro- and fused-<i>N</i>,O-ketals through Bi(OTf)<sub>3</sub>-catalyzed [4+2]-annulation of cyclic <i>N</i>-sulfonyl ketimines and alkynols.","Chemical communications (Cambridge, England)","2024","60","9","1144","1147","10.1039/d3cc05599j","","","0.71073","MoKα","","0.0498","0.0458","","","0.122","0.1296","","","","","","1.181","","","","has coordinates","289376","2024-02-04","11:20:38",""
"7132574","7.5575","0.0006","12.6622","0.0011","25.9109","0.0019","90","","90","","90","","2479.5","0.3","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 N O4 -","- C22 H23 N O2 -","- C88 H92 N4 O8 -","4","1","","Xie, Xiang-Qi; Li, Xingguang; Liu, Pei-Nian","Enantioselective synthesis of spiro-<i>N</i>,<i>O</i>-ketals <i>via</i> iridium and Brønsted acid co-catalyzed asymmetric formal [4+2] cycloaddition.","Chemical communications (Cambridge, England)","2024","60","11","1448","1451","10.1039/d3cc05923e","","","1.54178","CuKα","","0.1003","0.0964","","","0.2855","0.2943","","","","","","1.264","","","","has coordinates","289385","2024-02-04","11:23:18",""
"7132575","8.9352","0.0006","9.9706","0.0007","26.0378","0.0018","90","","90","","90","","2319.7","0.3","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 N O4 -","- C22 H23 N O2 -","- C88 H92 N4 O8 -","4","1","","Xie, Xiang-Qi; Li, Xingguang; Liu, Pei-Nian","Enantioselective synthesis of spiro-<i>N</i>,<i>O</i>-ketals <i>via</i> iridium and Brønsted acid co-catalyzed asymmetric formal [4+2] cycloaddition.","Chemical communications (Cambridge, England)","2024","60","11","1448","1451","10.1039/d3cc05923e","","","1.54178","CuKα","","0.0516","0.0502","","","0.155","0.1567","","","","","","1.081","","","","has coordinates","289385","2024-02-04","11:23:18",""
"7132576","18.9446","0.0009","18.9446","0.0009","22.0233","0.0011","90","","90","","120","","6845.2","0.6","100","2","100","2","","","","","","","","4","P 65","P 65","170","","","","- C50.56 H53.12 N6 O4.28 -","- C50.56 H53.12 N6 O4.28 -","- C303.36 H318.72 N36 O25.68 -","6","1","","Hokimoto, Yuya; Nakamura, Takashi","Synthesis of a macrocyclic oligomer of pyridylbenzoxazole utilizing dynamic covalent bonds and its unsymmetric conversion.","Chemical communications (Cambridge, England)","2024","60","10","1281","1284","10.1039/d3cc06216c","","","0.71073","MoKα","","0.0976","0.0709","","","0.2006","0.216","","","","","","1.548","","","","has coordinates,has disorder","289315","2024-02-04","10:59:30",""
"7132577","16.082","0.004","17.555","0.005","17.564","0.005","90","","90","","90","","4959","2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C48 H46 N6 O5 -","- C48 H42 N6 O5 -","- C192 H168 N24 O20 -","4","1","","Hokimoto, Yuya; Nakamura, Takashi","Synthesis of a macrocyclic oligomer of pyridylbenzoxazole utilizing dynamic covalent bonds and its unsymmetric conversion.","Chemical communications (Cambridge, England)","2024","60","10","1281","1284","10.1039/d3cc06216c","","","0.71073","MoKα","","0.1963","0.1644","","","0.365","0.3766","","","","","","2.44","","","","has coordinates","289315","2024-02-04","10:59:31",""
"7132578","11.244","0.005","12.917","0.005","17.778","0.007","86.525","0.004","87.331","0.005","75.394","0.004","2492.7","1.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H64 N6 O7 -","- C56 H64 N6 O7 -","- C112 H128 N12 O14 -","2","1","","Hokimoto, Yuya; Nakamura, Takashi","Synthesis of a macrocyclic oligomer of pyridylbenzoxazole utilizing dynamic covalent bonds and its unsymmetric conversion.","Chemical communications (Cambridge, England)","2024","60","10","1281","1284","10.1039/d3cc06216c","","","0.71073","MoKα","","0.1631","0.0983","","","0.2281","0.2639","","","","","","1.085","","","","has coordinates","289315","2024-02-04","10:59:31",""
"7132579","16.0885","0.0005","20.1668","0.0006","21.6212","0.0007","103.611","0.002","101.577","0.002","109.328","0.002","6129.8","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C106 H110 Cl18 F6 N12 O20 S2 Zn -","- C106 H106 Cl18 F6 N12 O20 S2 Zn -","- C212 H212 Cl36 F12 N24 O40 S4 Zn2 -","2","1","","Hokimoto, Yuya; Nakamura, Takashi","Synthesis of a macrocyclic oligomer of pyridylbenzoxazole utilizing dynamic covalent bonds and its unsymmetric conversion.","Chemical communications (Cambridge, England)","2024","60","10","1281","1284","10.1039/d3cc06216c","","","0.71073","MoKα","","0.135","0.0991","","","0.2609","0.3074","","","","","","1.032","","","","has coordinates,has disorder","289315","2024-02-04","10:59:31",""
"7132580","7.7135","0.0007","22.94","0.002","9.6284","0.0011","90","","100.29","0.011","90","","1676.3","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N3 S -","- C19 H17 N3 S -","- C76 H68 N12 S4 -","4","1","","Zhang, Xiaoxiang; Liu, Chenrui; Wei, Wanxing; Zhang, Zhuan; Liang, Taoyuan","Iodine-dependent oxidative regioselective aminochalcogenation of indolines.","Chemical communications (Cambridge, England)","2024","60","9","1152","1155","10.1039/d3cc05999e","","x-ray","0.71073","MoKα","","0.1152","0.0707","","","0.159","0.186","","","","","","1.041","","","","has coordinates","289371","2024-02-04","11:18:56",""
"7132581","10.1019","0.0002","10.718","0.0003","11.1905","0.0002","64.873","0.002","69.562","0.002","83.168","0.002","1027.3","0.05","293","2","293","","","","","","","","","3","P -1","-P 1","2","","1","","- C25 H26 O5 -","- C25 H26 O5 -","- C50 H52 O10 -","2","1","","Wu, Shu-Yi; Li, Yang; Shen, Peng; Yang, Xin-Han; Ran, Guang-Yao","Palladium-catalysed fragmentary esterification-induced allylic alkylation of allyl carbonates and cyclic vinylogous anhydrides.","Chemical communications (Cambridge, England)","2024","60","11","1416","1419","10.1039/d3cc05758e","","x-ray","1.54184","CuKα","","0.0647","0.0574","","","0.1593","0.1698","","","","","","1.073","","","","has coordinates","289387","2024-02-04","11:23:39",""
"7132582","20.3694","0.001","11.8516","0.0006","19.7496","0.001","90","","106.855","0.0018","90","","4562.9","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H21 Co F O4 P -","- C25 H21 Co F O4 P -","- C200 H168 Co8 F8 O32 P8 -","8","1","","Pietraru, Marie-Hélène; Ponsard, Louise; Lentz, Nicolas; Thuéry, Pierre; Nicolas, Emmanuel; Cantat, Thibault","Fluorophosphoniums as Lewis acids in organometallic catalysis: application to the carbonylation of β-lactones.","Chemical communications (Cambridge, England)","2024","60","8","1043","1046","10.1039/d3cc04282k","","","0.71073","MoKα","","0.0444","0.0308","","","0.0768","0.0823","","","","","","1.046","","","","has coordinates","289332","2024-02-04","11:04:57",""
"7132583","16.5748","0.0004","13.6875","0.0003","10.2341","0.0003","90","","90","","90","","2321.79","0.1","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C22 H33 Co F O4 P -","- C22 H33 Co F O4 P -","- C88 H132 Co4 F4 O16 P4 -","4","0.5","","Pietraru, Marie-Hélène; Ponsard, Louise; Lentz, Nicolas; Thuéry, Pierre; Nicolas, Emmanuel; Cantat, Thibault","Fluorophosphoniums as Lewis acids in organometallic catalysis: application to the carbonylation of β-lactones.","Chemical communications (Cambridge, England)","2024","60","8","1043","1046","10.1039/d3cc04282k","","","0.71073","MoKα","","0.0325","0.0261","","","0.0657","0.0712","","","","","","1.076","","","","has coordinates","289332","2024-02-04","11:05:00",""
"7132584","14.9882","0.0005","15.8456","0.0005","16.4634","0.0005","90","","90","","90","","3910","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H27 Co F O4 P -","- C16 H27 Co F O4 P -","- C128 H216 Co8 F8 O32 P8 -","8","1","","Pietraru, Marie-Hélène; Ponsard, Louise; Lentz, Nicolas; Thuéry, Pierre; Nicolas, Emmanuel; Cantat, Thibault","Fluorophosphoniums as Lewis acids in organometallic catalysis: application to the carbonylation of β-lactones.","Chemical communications (Cambridge, England)","2024","60","8","1043","1046","10.1039/d3cc04282k","","","0.71073","MoKα","","0.0587","0.0353","","","0.0724","0.0804","","","","","","1.087","","","","has coordinates","289332","2024-02-04","11:05:00",""
"7132585","15.6273","0.0006","11.1454","0.0004","21.3411","0.0008","90","","104.896","0.002","90","","3592.1","0.2","100","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C116 H128 N8 O24 S8 -","- C116 H128 N8 O24 S8 -","- C116 H128 N8 O24 S8 -","1","0.25","","Ho, An T.; Vanable, Evan P.; Miguel, Chelsea San; Hull, Kami L.","Iridium-catalysed hydroamination of internal homoallylic amines.","Chemical communications (Cambridge, England)","2024","60","12","1615","1618","10.1039/d3cc05594a","","","0.71073","MoKα","","0.0713","0.0528","","","0.1675","0.1824","","","","","","1.0911","","","","has coordinates,has disorder","290107","2024-03-04","19:55:41",""
"7132586","11.1123","0.0004","11.2096","0.0004","24.9678","0.0009","90","","90","","90","","3110.1","0.19","100.15","","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-(3-(ammonio(phenyl)methyl)cyclohexyl)morpholin-4-ium bis-(4-methylphenylsulfonate)","","- C31 H42 N2 O7 S2 -","- C31 H42 N2 O7 S2 -","- C124 H168 N8 O28 S8 -","4","1","","Ho, An T.; Vanable, Evan P.; Miguel, Chelsea San; Hull, Kami L.","Iridium-catalysed hydroamination of internal homoallylic amines.","Chemical communications (Cambridge, England)","2024","60","12","1615","1618","10.1039/d3cc05594a","","","0.71073","MoKα","","0.0292","0.0275","","","0.0723","0.0737","","","","","","1.035","","","","has coordinates","290107","2024-03-04","19:55:41",""
"7132587","29.863","0.003","9.4396","0.0009","17.2974","0.0016","90","","101.266","0.003","90","","4782.1","0.8","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25.5 H31 Cl N5 -","- C25.5 H31 Cl N5 -","- C204 H248 Cl8 N40 -","8","1","","Mohanty, Aisa; Rout, Smruti Rekha; Dandela, Rambabu; Daw, Prosenjit","Ammonia synthesis by the reductive N-N bond cleavage of hydrazine using an air-stable, phosphine-free ruthenium catalyst.","Chemical communications (Cambridge, England)","2024","60","4","416","419","10.1039/d3cc04490d","","","0.71073","MoKα","","0.1514","0.0648","","","0.1555","0.2061","","","","","","1.029","","","","has coordinates,has disorder","288681","2024-01-04","22:58:35",""
"7132588","17.469","0.005","7.599","0.002","11.007","0.003","90","","90","","90","","1461.1","0.7","298","","298","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H19 N O6 -","- C14 H19 N O6 -","- C56 H76 N4 O24 -","4","1","","Zheng, Peng Xuan; Ou, Song Lin; Qu, Lei Yu; Zhang, Ying; Jiang, Shi Qing; Li, Xiang; Wan, Jun Xiong; Zhang, Min; Bao, Xin","Enriched switching in a donor-acceptor Stenhouse adduct <i>via</i> reversible covalent bonding.","Chemical communications (Cambridge, England)","2024","60","10","1333","1336","10.1039/d3cc03160h","","","0.71073","MoKα","","0.0573","0.0368","","","0.0716","0.0781","","","","","","1.028","","","","has coordinates","289320","2024-02-04","11:00:36",""
"7132589","15.8928","0.0003","20.0176","0.0004","29.1486","0.0006","75.045","0.001","78.775","0.002","78.621","0.002","8681.3","0.3","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C151.5 H201 Au14 Cl F3 P4.5 S9 -","- C151.5 H201 Au14 Cl F3 P4.5 S9 -","- C303 H402 Au28 Cl2 F6 P9 S18 -","2","1","","Liu, Dong; Gao, Guiqi; Zhang, Yongyu; Li, Qinzhen; Yang, Sha; Chai, Jinsong; Yu, Haizhu; Zhu, Manzhou","[Au<sub>14</sub>(2-SAdm)<sub>9</sub>(Dppe)<sub>2</sub>]<sup>+</sup>: a gold nanocluster with a crystallization-induced emission enhancement phenomenon.","Chemical communications (Cambridge, England)","2024","60","10","1337","1340","10.1039/d3cc06335f","","","1.54186","CuKα","","0.0625","0.0533","","","0.1406","0.1552","","","","","","1.038","","","","has coordinates","289319","2024-02-04","11:00:28",""
"7132590","8.0853","0.0005","10.9301","0.0007","13.3531","0.0008","104.791","0.002","92.638","0.002","111.152","0.002","1051.52","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 N3 O3 S -","- C24 H21 N3 O3 S -","- C48 H42 N6 O6 S2 -","2","1","","Tang, Yi; Zhang, Rulei; Dong, Yujie; Yu, Songcheng; Wu, Yongjun; Xiao, Yumei; Guo, Hongchao","4-Vinylbenzodioxinones as a new type of precursor for palladium-catalyzed (4+3) cycloaddition of azomethine imines.","Chemical communications (Cambridge, England)","2024","60","11","1436","1439","10.1039/d3cc06012h","","","0.71073","MoKα","","0.0505","0.0404","","","0.1186","0.1269","","","","","","1.031","","","","has coordinates","289381","2024-02-04","11:22:39",""
"7132591","10.8989","0.0007","11.4714","0.0007","11.6523","0.0008","66.814","0.002","72.69","0.002","71.71","0.002","1246","0.14","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 Br3 N3 O3 S -","- C24 H19 Br3 N3 O3 S -","- C48 H38 Br6 N6 O6 S2 -","2","1","","Tang, Yi; Zhang, Rulei; Dong, Yujie; Yu, Songcheng; Wu, Yongjun; Xiao, Yumei; Guo, Hongchao","4-Vinylbenzodioxinones as a new type of precursor for palladium-catalyzed (4+3) cycloaddition of azomethine imines.","Chemical communications (Cambridge, England)","2024","60","11","1436","1439","10.1039/d3cc06012h","","","0.71073","MoKα","","0.0823","0.0569","","","0.1368","0.1502","","","","","","1.115","","","","has coordinates,has disorder","289381","2024-02-04","11:22:39",""
"7132592","10.5361","0.0001","17.81","0.0002","26.2442","0.0003","90","","90","","90","","4924.67","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N3 O4 S -","- C26 H25 N3 O4 S -","- C208 H200 N24 O32 S8 -","8","2","","Tang, Yi; Zhang, Rulei; Dong, Yujie; Yu, Songcheng; Wu, Yongjun; Xiao, Yumei; Guo, Hongchao","4-Vinylbenzodioxinones as a new type of precursor for palladium-catalyzed (4+3) cycloaddition of azomethine imines.","Chemical communications (Cambridge, England)","2024","60","11","1436","1439","10.1039/d3cc06012h","","x-ray","1.54184","CuKα","","0.0558","0.0445","","","0.1235","0.1342","","","","","","1.026","","","","has coordinates","289381","2024-02-04","11:22:39",""
"7132593","45.975","0.003","37.787","0.003","3.754","0.0003","90","","90","","90","","6521.7","0.8","173.15","","173.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C96 H72 Ag24 N48 O24 -","- C96 H72 Ag24 N48 O24 -","- C192 H144 Ag48 N96 O48 -","2","0.125","","Peng, Shuyin; Sun, Yuqian; Li, Qingqing; Jiang, Zhongwen; Rao, Yin; Wu, Yichen; Li, Qiaowei","Stepwise construction of coordinative linkages and dynamic covalent linkages for a porous metal-organic framework.","Chemical communications (Cambridge, England)","2024","60","11","1488","1491","10.1039/d3cc05650c","","","1.34138","GaKα","","0.0495","0.0395","","","0.1097","0.1118","","","","","","1.159","","","","has coordinates","289382","2024-02-04","11:22:49",""
"7132594","9.7941","0.0009","11.2385","0.0011","23.348","0.002","90","","90","","90","","2569.9","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 N2 O3 S -","- C27 H30 N2 O3 S -","- C108 H120 N8 O12 S4 -","4","1","","Cui, Chen-Chang; Lin, Feng; Wang, Lu-Yao; Liu, Yin-Ping; Tu, Shu-Jiang; Tu, Man-Su; Hao, Wen-Juan; Jiang, Bo","Olefin skeletal rearrangement enabling access to multiarylated <i>N</i>-sulfonyl amidines.","Chemical communications (Cambridge, England)","2024","60","11","1492","1495","10.1039/d3cc05977d","","","0.71073","MoKα","","0.0959","0.063","","","0.1617","0.1919","","","","","","1.074","","","","has coordinates","289380","2024-02-04","11:22:23",""
"7132595","4.7109","0.0004","5.1887","0.0003","25.0379","0.0015","84.32","0.005","88.126","0.006","87.821","0.006","608.31","0.07","100","0.1","100","0.1","","","","","","","","6","P 1","P 1","1","","","","- C24 H22 I2 N4 O4 S -","- C24 H22 I2 N4 O4 S -","- C24 H22 I2 N4 O4 S -","1","1","","Cao, Jinlian; Weng, Peimin; Qi, Yuanwei; Lin, Kexin; Yan, Xiaosheng","Noncovalent interaction network of chalcogen, halogen and hydrogen bonds for supramolecular β-sheet organization.","Chemical communications (Cambridge, England)","2024","60","11","1484","1487","10.1039/d3cc05539f","","x-ray","1.54184","CuKα","","0.0703","0.0692","","","0.1922","0.1933","","","","","","1.067","","","","has coordinates","289384","2024-02-04","11:23:07",""
"7132596","24.6915","0.0005","14.7339","0.0003","15.6091","0.0003","90","","90","","90","","5678.6","0.2","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C73 H55 Cl3 N6 O3 -","- C73 H55 Cl3 N6 O3 -","- C292 H220 Cl12 N24 O12 -","4","1","","Chen, Lihua; Li, Chenfei; Liu, Zheng-Fei; Kuboi, Yoshiaki; Fu, Enguang; Vargas, Lydia Sosa; Adachi, Chihaya; Mathevet, Fabrice; Zhang, Shaodong","A donor-acceptor cage for circularly polarized TADF emission.","Chemical communications (Cambridge, England)","2024","60","13","1758","1761","10.1039/d3cc05136f","","","1.54178","CuKα","","0.0605","0.0519","","","0.1404","0.149","","","","","","1.038","","","","has coordinates","290089","2024-03-04","19:49:58",""
"7132597","25.1162","0.0006","13.2745","0.0003","18.3072","0.0004","90","","110.891","0.002","90","","5702.5","0.2","123","0.1","123","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H82 B3 K N6 O -","- C60 H82 B3 K N6 O -","- C240 H328 B12 K4 N24 O4 -","4","0.5","","Guthardt, Robin; Jones, Cameron","A bromo(boryloxy) silylene and its heavier analogues.","Chemical communications (Cambridge, England)","2024","60","12","1583","1586","10.1039/d3cc05760g","","","1.54184","CuKα","","0.0539","0.0513","","","0.1421","0.1446","","","","","","1.053","","","","has coordinates,has disorder","290108","2024-03-04","19:56:36",""
"7132598","11.4979","0.0004","20.9867","0.0006","13.7765","0.0005","90","","104.384","0.003","90","","3220.1","0.19","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C67 H86 B3 Br N6 O2 Si -","- C67 H86 B3 Br N6 O2 Si -","- C134 H172 B6 Br2 N12 O4 Si2 -","2","1","","Guthardt, Robin; Jones, Cameron","A bromo(boryloxy) silylene and its heavier analogues.","Chemical communications (Cambridge, England)","2024","60","12","1583","1586","10.1039/d3cc05760g","","","0.71073","MoKα","","0.0805","0.068","","","0.1708","0.1843","","","","","","1.04","","","","has coordinates","290108","2024-03-04","19:56:36",""
"7132599","13.321","0.003","20.663","0.004","19.283","0.004","90","","100.62","0.03","90","","5217","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H76 B3 Br N6 -","- C54 H76 B3 Br N6 -","- C216 H304 B12 Br4 N24 -","4","1","","Guthardt, Robin; Jones, Cameron","A bromo(boryloxy) silylene and its heavier analogues.","Chemical communications (Cambridge, England)","2024","60","12","1583","1586","10.1039/d3cc05760g","","","0.7109","Synchrotron","","0.0763","0.0735","","","0.2287","0.2318","","","","","","1.059","","","","has coordinates","290108","2024-03-04","19:56:36",""
"7132600","19.4723","0.0001","23.1794","0.0001","24.8889","0.0001","90","","90","","90","","11233.8","0.09","123","0.1","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C108 H152 B6 Cl6 N12 O2 Si2 -","- C108 H152 B6 Cl6 N12 O2 Si2 -","- C432 H608 B24 Cl24 N48 O8 Si8 -","4","1","","Guthardt, Robin; Jones, Cameron","A bromo(boryloxy) silylene and its heavier analogues.","Chemical communications (Cambridge, England)","2024","60","12","1583","1586","10.1039/d3cc05760g","","","1.54184","CuKα","","0.0477","0.0442","","","0.1175","0.12","","","","","","1.061","","","","has coordinates,has disorder","290108","2024-03-04","19:56:36",""
"7132601","16.4864","0.0006","16.4582","0.0005","44.137","0.0014","95.16","0.003","97.087","0.003","89.93","0.003","11835.7","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C61.5 H83.5 B3 Cl Ge N6 O -","- C61.5 H83.5 B3 Cl Ge N6 O -","- C492 H668 B24 Cl8 Ge8 N48 O8 -","8","4","","Guthardt, Robin; Jones, Cameron","A bromo(boryloxy) silylene and its heavier analogues.","Chemical communications (Cambridge, England)","2024","60","12","1583","1586","10.1039/d3cc05760g","","","0.71073","MoKα","","0.1061","0.0835","","","0.2218","0.2418","","","","","","1.059","","","","has coordinates,has disorder","290108","2024-03-04","19:56:36",""
"7132602","19.5876","0.0001","23.2994","0.0001","24.9438","0.0001","90","","90","","90","","11383.8","0.09","123","0.1","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C108 H152 B6 Br6 N12 O2 Si2 -","- C108 H152 B6 Br6 N12 O2 Si2 -","- C432 H608 B24 Br24 N48 O8 Si8 -","4","1","","Guthardt, Robin; Jones, Cameron","A bromo(boryloxy) silylene and its heavier analogues.","Chemical communications (Cambridge, England)","2024","60","12","1583","1586","10.1039/d3cc05760g","","","1.54184","CuKα","","0.0358","0.0349","","","0.0958","0.0967","","","","","","1.036","","","","has coordinates,has disorder","290108","2024-03-04","19:56:36",""
"7132603","30.8728","0.0004","16.2163","0.0002","33.9145","0.0006","90","","106.314","0.002","90","","16295.4","0.4","123","0.1","123","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C162 H228 B9 Cl3 N18 O3 Sn3 -","- C162 H228 B9 Cl3 N18 O3 Sn3 -","- C648 H912 B36 Cl12 N72 O12 Sn12 -","4","1","","Guthardt, Robin; Jones, Cameron","A bromo(boryloxy) silylene and its heavier analogues.","Chemical communications (Cambridge, England)","2024","60","12","1583","1586","10.1039/d3cc05760g","","x-ray","0.71073","MoKα","","0.096","0.0477","","","0.112","0.1335","","","","","","1.027","","","","has coordinates,has disorder","290108","2024-03-04","19:56:36",""
"7132604","10.8961","0.0011","18.4187","0.0017","9.4952","0.0008","90","","111.962","0.005","90","","1767.3","0.3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 N2 -","- C23 H22 N2 -","- C92 H88 N8 -","4","1","","Liang, Qianqian; Cai, Yan; Jiang, Wenjun; Pang, Mengdi; Fan, Liming; Zhang, Guoying","Palladium-catalyzed allylation and carbonylation: access to allylhydrazones and allyl acylhydrazones.","Chemical communications (Cambridge, England)","2024","60","12","1638","1641","10.1039/d3cc05531k","","","0.71073","MoKα","","0.1697","0.0901","","","0.2066","0.2449","","","","","","1.097","","","","has coordinates","290103","2024-03-04","19:54:39",""
"7132605","10.454","0.0009","20.0412","0.0018","9.0834","0.0008","90","","106.374","0.004","90","","1825.9","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 F N2 -","- C22 H19 F N2 -","- C88 H76 F4 N8 -","4","1","","Liang, Qianqian; Cai, Yan; Jiang, Wenjun; Pang, Mengdi; Fan, Liming; Zhang, Guoying","Palladium-catalyzed allylation and carbonylation: access to allylhydrazones and allyl acylhydrazones.","Chemical communications (Cambridge, England)","2024","60","12","1638","1641","10.1039/d3cc05531k","","","0.71073","MoKα","","0.1708","0.0764","","","0.1914","0.2275","","","","","","1.08","","","","has coordinates","290103","2024-03-04","19:54:39",""
"7132606","10.0309","0.0009","19.6236","0.0018","9.0074","0.0008","90","","104.371","0.004","90","","1717.6","0.3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C88 H80 N8 -","4","1","","Liang, Qianqian; Cai, Yan; Jiang, Wenjun; Pang, Mengdi; Fan, Liming; Zhang, Guoying","Palladium-catalyzed allylation and carbonylation: access to allylhydrazones and allyl acylhydrazones.","Chemical communications (Cambridge, England)","2024","60","12","1638","1641","10.1039/d3cc05531k","","","0.71073","MoKα","","0.1937","0.0881","","","0.1964","0.2396","","","","","","1.024","","","","has coordinates","290103","2024-03-04","19:54:39",""
"7132607","7.4394","0.0007","10.1901","0.0009","13.5234","0.0012","98.505","0.003","92.733","0.002","110.436","0.005","944.63","0.15","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C46 H40 N4 O2 -","2","1","","Liang, Qianqian; Cai, Yan; Jiang, Wenjun; Pang, Mengdi; Fan, Liming; Zhang, Guoying","Palladium-catalyzed allylation and carbonylation: access to allylhydrazones and allyl acylhydrazones.","Chemical communications (Cambridge, England)","2024","60","12","1638","1641","10.1039/d3cc05531k","","","0.71073","MoKα","","0.113","0.0731","","","0.2015","0.2311","","","","","","1.078","","","","has coordinates","290103","2024-03-04","19:54:39",""
"7132608","8.7541","0.0003","15.3319","0.0006","15.5807","0.0006","82.471","0.003","85.577","0.002","81.058","0.002","2044.53","0.13","213","","213","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H43 Cl2 N3 O6 S -","- C44 H43 Cl2 N3 O6 S -","- C88 H86 Cl4 N6 O12 S2 -","2","1","","Liang, Qianqian; Cai, Yan; Jiang, Wenjun; Pang, Mengdi; Fan, Liming; Zhang, Guoying","Palladium-catalyzed allylation and carbonylation: access to allylhydrazones and allyl acylhydrazones.","Chemical communications (Cambridge, England)","2024","60","12","1638","1641","10.1039/d3cc05531k","","","1.34139","GaKα","","0.0608","0.0478","","","0.1251","0.1355","","","","","","1.062","","","","has coordinates","290103","2024-03-04","19:54:39",""
"7132609","19.3124","0.0017","18.4281","0.0016","12.7741","0.0011","90","","103.027","0.003","90","","4429.2","0.7","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C48 H43 Cl O P2 Pd -","- C48 H43 Cl O P2 Pd -","- C192 H172 Cl4 O4 P8 Pd4 -","4","0.5","","Liang, Qianqian; Cai, Yan; Jiang, Wenjun; Pang, Mengdi; Fan, Liming; Zhang, Guoying","Palladium-catalyzed allylation and carbonylation: access to allylhydrazones and allyl acylhydrazones.","Chemical communications (Cambridge, England)","2024","60","12","1638","1641","10.1039/d3cc05531k","","","0.71073","MoKα","","0.1566","0.0929","","","0.2139","0.2385","","","","","","1.105","","","","has coordinates,has disorder","290103","2024-03-04","19:54:39",""
"7132610","9.2641","0.0011","18.7713","0.0017","12.8967","0.0012","90","","101.38","0.003","90","","2198.6","0.4","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C49 H41 F3 O4 P2 Pd S -","- C49 H42 F3 O4 P2 Pd S -","- C98 H84 F6 O8 P4 Pd2 S2 -","2","0.5","","Liang, Qianqian; Cai, Yan; Jiang, Wenjun; Pang, Mengdi; Fan, Liming; Zhang, Guoying","Palladium-catalyzed allylation and carbonylation: access to allylhydrazones and allyl acylhydrazones.","Chemical communications (Cambridge, England)","2024","60","12","1638","1641","10.1039/d3cc05531k","","","0.71073","MoKα","","0.1392","0.0785","","","0.1853","0.212","","","","","","1.065","","","","has coordinates,has disorder","290103","2024-03-04","19:54:39",""
"7132611","6.744","0.002","11.212","0.002","9.487","0.002","90","0.03","90","0.03","90","0.03","717.3","0.3","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C4 H6 N8 O2 -","- C4 H6 N8 O2 -","- C16 H24 N32 O8 -","4","1","","Kumar, Parasar; Kumar, Navaneet; Ghule, Vikas D.; Dharavath, Srinivas","Zwitterionic fused pyrazolo-triazole based high performing energetic materials.","Chemical communications (Cambridge, England)","2024","60","12","1646","1649","10.1039/d3cc05920k","","","0.71073","MoKα","","0.046","0.0377","","","0.0902","0.0956","","","","","","1.049","","","","has coordinates","290104","2024-03-04","19:54:48",""
"7132612","19.961","0.004","14.527","0.003","16.049","0.003","90","","118.68","0.03","90","","4082.8","1.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H50 N2 O4 -","- C52 H50 N2 O4 -","- C208 H200 N8 O16 -","4","0.5","","Gentile, Giuseppe; Bartolomei, Beatrice; Dosso, Jacopo; Demitri, Nicola; Filippini, Giacomo; Prato, Maurizio","Synthesis of a novel tetra-phenol π-extended phenazine and its application as an organo-photocatalyst.","Chemical communications (Cambridge, England)","2024","60","5","602","605","10.1039/d3cc05176e","","","0.62","Synchrotron","","0.12","0.0685","","","0.1861","0.2201","","","","","","1.029","","","","has coordinates","289338","2024-02-04","11:07:33",""
"7132613","12.4406","0.0001","29.2646","0.0003","18.9032","0.0002","90","","92.548","0.001","90","","6875.27","0.12","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H95 Mo6 N7 O18 -","- C56 H95 Mo6 N7 O18 -","- C224 H380 Mo24 N28 O72 -","4","1","","Jones, Claire F.; Hood, Bethany R.; de Coene, Yovan; Lopez-Poves, Ivan; Champagne, Benoît; Clays, Koen; Fielden, John","Bridge improvement work: maximising non-linear optical performance in polyoxometalate derivatives.","Chemical communications (Cambridge, England)","2024","60","13","1731","1734","10.1039/d3cc05433k","","x-ray","1.54184","CuKα","","0.0556","0.0467","","","0.122","0.127","","","","","","1.07","","","","has coordinates,has disorder","290092","2024-03-04","19:50:35",""
"7132614","10.97433","0.00016","9.78846","0.00014","11.7517","0.0002","90","","102.023","0.0016","90","","1234.7","0.03","179.99","0.1","179.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H33 O3 P -","- C30 H33 O3 P -","- C60 H66 O6 P2 -","2","1","","Huang, Yu; Zhang, Yulong; Pan, Li; Wu, Qian; Li, Ning; Shi, Enxue; Xiao, Junhua","CAMDOL-enabled diastereoselective synthesis of α-substituted phosphonates.","Chemical communications (Cambridge, England)","2024","60","14","1924","1927","10.1039/d3cc05436e","","x-ray","1.54184","CuKα","","0.0307","0.0301","","","0.0786","0.079","","","","","","1.08","","","","has coordinates","290097","2024-03-04","19:53:08",""
"7132615","11.2201","0.0006","8.4447","0.0005","13.8792","0.0009","90","","98.303","0.002","90","","1301.28","0.13","170","2","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H34 N3 O3 P -","- C27 H33 N2 O4 P -","- C54 H66 N4 O8 P2 -","2","1","","Chen, Zi-Jia; Fan, Ling-Jie; Xie, Pei-Pei; Qian, Pu-Fan; Hu, Xinquan; Zhou, Tao; Shi, Bing-Feng","Pd(II)-Catalyzed enantioselective C-H olefination toward the synthesis of <i>P</i>-stereogenic phosphinamides.","Chemical communications (Cambridge, England)","2024","60","12","1623","1626","10.1039/d3cc05052a","","","0.71073","MoKα","","0.0313","0.0309","","","0.0798","0.0803","","","","","","1.076","","","","has coordinates,has disorder","290106","2024-03-04","19:55:07",""
"7132616","14.5193","0.0004","29.0183","0.0007","9.5279","0.0002","90","","103.894","0.001","90","","3896.89","0.17","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H54 B N3 Ni P -","- C44 H53 B N3 Ni P -","- C176 H212 B4 N12 Ni4 P4 -","4","1","","Bermejo, José; Ortega-Lepe, Isabel; Santos, Laura L.; Rendón, Nuria; López-Serrano, Joaquín; Álvarez, Eleuterio; Suárez, Andrés","Nitrous oxide activation by picoline-derived Ni-CNP hydrides.","Chemical communications (Cambridge, England)","2024","60","12","1575","1578","10.1039/d3cc05455a","","","0.71073","MoKα","","0.0448","0.0392","","","0.1093","0.1139","","","","","","1.039","","","","has coordinates","290102","2024-03-04","19:54:22",""
"7132617","21.355","0.002","21.355","0.002","11.6688","0.0015","90","","90","","90","","5321.4","1","193","2","193","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C26 H36 N3 Ni O P -","- C26 H36 N3 Ni O P -","- C208 H288 N24 Ni8 O8 P8 -","8","1","","Bermejo, José; Ortega-Lepe, Isabel; Santos, Laura L.; Rendón, Nuria; López-Serrano, Joaquín; Álvarez, Eleuterio; Suárez, Andrés","Nitrous oxide activation by picoline-derived Ni-CNP hydrides.","Chemical communications (Cambridge, England)","2024","60","12","1575","1578","10.1039/d3cc05455a","","","0.71073","MoKα","","0.0463","0.0373","","","0.0932","0.0974","","","","","","1.039","","","","has coordinates","290102","2024-03-04","19:54:23",""
"7132618","11.8846","0.0009","11.8525","0.0008","23.941","0.0016","90","","90","","90","","3372.4","0.4","273","2","273.15","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C10 H32 Bi I9 N4 -","- C10 H32 Bi I9 N4 -","- C40 H128 Bi4 I36 N16 -","4","0.25","","Wang, Yu-Yin; Kang, Huai-Yuan; Zhang, Shao-Ya; Qu, Hao; Zhu, Lin; Zhao, Dan; Li, Xian-Feng; Lei, Xiao-Wu; Yue, Cheng-Yang","Exploring 0D lead-free metal halide with highly efficient blue light emission and high-sensitivity photodetection.","Chemical communications (Cambridge, England)","2024","60","20","2784","2787","10.1039/d3cc06010a","","","0.71073","MoKα","","0.0685","0.0513","","","0.1256","0.1345","","","","","","1.093","","","","has coordinates","290823","2024-04-04","22:34:19",""
"7132619","11.9643","0.0001","16.5858","0.0002","17.5688","0.0001","90.529","0.001","98.876","0.001","109.35","0.001","3243.16","0.06","93","","93","","","","","","","","","5","P -1","-P 1","2","","4b","","- C52 H98 N4 O6 Si6 -","- C52 H98 N4 O6 Si6 -","- C104 H196 N8 O12 Si12 -","2","1","","Kim, Junghwan; Kim, Chungryeol; Lee, Dongwhan","Fluoride-triggered phase transition of metallogels for on-demand <i>in situ</i> containment of fluids.","Chemical communications (Cambridge, England)","2024","60","13","1762","1765","10.1039/d3cc06023c","","x-ray","1.54184","CuKα","","0.0434","0.0415","","","0.1132","0.1147","","","","","","1.121","","","","has coordinates","290086","2024-03-04","19:49:25",""
"7132620","15.9929","0.0003","16.1504","0.0003","17.3188","0.0004","79.449","0.002","65.041","0.002","78.584","0.002","3950.26","0.15","93","","93","","","","","","","","","5","P -1","-P 1","2","","4c","","- C70 H134 N4 O6 Si6 -","- C70 H134 N4 O6 Si6 -","- C140 H268 N8 O12 Si12 -","2","1","","Kim, Junghwan; Kim, Chungryeol; Lee, Dongwhan","Fluoride-triggered phase transition of metallogels for on-demand <i>in situ</i> containment of fluids.","Chemical communications (Cambridge, England)","2024","60","13","1762","1765","10.1039/d3cc06023c","","x-ray","1.54184","CuKα","","0.0512","0.0458","","","0.1243","0.1278","","","","","","1.099","","","","has coordinates","290086","2024-03-04","19:49:25",""
"7132621","12.655","0.003","15.538","0.003","17.066","0.003","90","","90","","90","","3355.7","1.2","143","2","143","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H26 N8 Ni O4 -","- C36 H26 N8 Ni O4 -","- C144 H104 N32 Ni4 O16 -","4","0.5","","Nogita, Kohei; Sugahara, Takaya; Miki, Koji; Mu, Huiying; Kobayashi, Minoru; Harada, Hiroshi; Ohe, Kouichi","A reductively convertible nickel phthalocyanine precursor as a biological thiol-responsive turn-on photoacoustic contrast agent.","Chemical communications (Cambridge, England)","2024","60","11","1472","1475","10.1039/d3cc05628g","","","0.71075","MoKα","","0.0716","0.062","","","0.1136","0.1177","","","","","","1.006","","","","has coordinates","289383","2024-02-04","11:22:59",""
"7132622","21.1441","0.0011","11.5844","0.0007","12.8398","0.0007","90","","90","","90","","3145","0.3","296.15","","296.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","ST-5-149","","- C18 H17 Cl N2 O2 -","- C18 H17 Cl N2 O2 -","- C144 H136 Cl8 N16 O16 -","8","1","","Yadav, Dharmendra K.; Tiwari, Sona; Senthil, Sathyapriya; Vechalapu, Sai Kumari; Duraisamy, Santhosh; Rawat, Viral; Rahman, Mohammed Isfahur; Khanna, Shweta; Allimuthu, Dharmaraja","Diazepam-based covalent modifiers of GPX4 induce ferroptosis in liver cancer cells.","Chemical communications (Cambridge, England)","2024","60","14","1928","1931","10.1039/d3cc06215e","","","0.71073","MoKα","","0.0452","0.0411","","","0.1117","0.1166","","","","","","1.0524","","","","has coordinates","290096","2024-03-04","19:52:57",""
"7132623","13.7896","0.0003","9.0412","0.0002","13.8981","0.0004","90","","108.87","0.001","90","","1639.61","0.07","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","ST-5-156","","- C18 H18 N2 O3 S -","- C18 H18 N2 O3 S -","- C72 H72 N8 O12 S4 -","4","1","","Yadav, Dharmendra K.; Tiwari, Sona; Senthil, Sathyapriya; Vechalapu, Sai Kumari; Duraisamy, Santhosh; Rawat, Viral; Rahman, Mohammed Isfahur; Khanna, Shweta; Allimuthu, Dharmaraja","Diazepam-based covalent modifiers of GPX4 induce ferroptosis in liver cancer cells.","Chemical communications (Cambridge, England)","2024","60","14","1928","1931","10.1039/d3cc06215e","","x-ray","0.71073","MoKα","","0.0378","0.033","","","0.0874","0.0897","","","","","","1.072","","","","has coordinates,has disorder","290096","2024-03-04","19:52:57",""
"7132624","9.1979","0.0004","15.6759","0.0008","10.7636","0.0005","90","","95.704","0.002","90","","1544.27","0.13","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","ST-5-154","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","","Yadav, Dharmendra K.; Tiwari, Sona; Senthil, Sathyapriya; Vechalapu, Sai Kumari; Duraisamy, Santhosh; Rawat, Viral; Rahman, Mohammed Isfahur; Khanna, Shweta; Allimuthu, Dharmaraja","Diazepam-based covalent modifiers of GPX4 induce ferroptosis in liver cancer cells.","Chemical communications (Cambridge, England)","2024","60","14","1928","1931","10.1039/d3cc06215e","","","0.71073","MoKα","","0.0422","0.0373","","","0.0966","0.0997","","","","","","1.0356","","","","has coordinates","290096","2024-03-04","19:52:57",""
"7132625","10.2787","0.0005","11.9147","0.0006","27.5592","0.0015","90","","90","","90","","3375.1","0.3","273.15","","273.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","SP-446","","- C20 H17 Cl N2 O2 -","- C20 H17 Cl N2 O2 -","- C160 H136 Cl8 N16 O16 -","8","2","","Yadav, Dharmendra K.; Tiwari, Sona; Senthil, Sathyapriya; Vechalapu, Sai Kumari; Duraisamy, Santhosh; Rawat, Viral; Rahman, Mohammed Isfahur; Khanna, Shweta; Allimuthu, Dharmaraja","Diazepam-based covalent modifiers of GPX4 induce ferroptosis in liver cancer cells.","Chemical communications (Cambridge, England)","2024","60","14","1928","1931","10.1039/d3cc06215e","","","0.71073","MoKα","","0.0427","0.0352","","","0.0809","0.0872","","","","","","1.0502","","","","has coordinates","296876","2024-12-16","17:34:43",""
"7132626","3.8378","0.0002","8.6367","0.0005","29.4303","0.0019","90","","90","","90","","975.49","0.1","185","","185","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C2.6 H1.8 N0.2 O0.6 -","- C2.6 H1.8 N0.2 O0.6 -","- C52 H36 N4 O12 -","20","5","","Chand, Tapasi; Gupta, Princi; Oza, Nehali; Kapur, Manmohan","Cobalt(II)-catalyzed <i>peri</i>-C(sp<sup>2</sup>)-H selective hydroxylation of naphthalene monoimides.","Chemical communications (Cambridge, England)","2024","60","13","1770","1773","10.1039/d3cc06050k","","","1.54178","CuKα","","0.0529","0.0491","","","0.1361","0.139","","","","","","1.0463","","","","has coordinates","290090","2024-03-04","19:50:08",""
"7132627","28.25","0.002","31.29","0.003","15.7735","0.0012","90","","90","","90","","13943","2","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C38.49 H30.98 Cl3.98 P2 Sb -","- C38.492 H30.984 Cl3.984 P2 Sb -","- C615.872 H495.744 Cl63.744 P32 Sb16 -","16","1","","Obi, Akachukwu D.; Deng, Chun-Lin; Alexis, Andrew J.; Dickie, Diane A.; Gilliard, Jr, Robert J","Geminal bimetallic coordination of a carbone to main-group and transition metals.","Chemical communications (Cambridge, England)","2024","60","14","1880","1883","10.1039/d3cc06226k","","","0.71073","MoKα","","0.0402","0.0308","","","0.0606","0.0649","","","","","","1.043","","","","has coordinates,has disorder","290095","2024-03-04","19:51:53",""
"7132628","27.674","0.004","31.304","0.004","16.183","0.002","90","","90","","90","","14019","3","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C38.5 H31 Br Cl3 P2 Sb -","- C38.5 H31 Br Cl3 P2 Sb -","- C616 H496 Br16 Cl48 P32 Sb16 -","16","1","","Obi, Akachukwu D.; Deng, Chun-Lin; Alexis, Andrew J.; Dickie, Diane A.; Gilliard, Jr, Robert J","Geminal bimetallic coordination of a carbone to main-group and transition metals.","Chemical communications (Cambridge, England)","2024","60","14","1880","1883","10.1039/d3cc06226k","","","0.71073","MoKα","","0.044","0.0338","","","0.0596","0.0628","","","","","","1.022","","","","has coordinates,has disorder","290095","2024-03-04","19:51:53",""
"7132629","14.6987","0.0006","15.5168","0.0007","17.522","0.0007","90","","93.975","0.001","90","","3986.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H32 Cl4 F6 P2 Sb2 -","- C39 H32 Cl4 F6 P2 Sb2 -","- C156 H128 Cl16 F24 P8 Sb8 -","4","1","","Obi, Akachukwu D.; Deng, Chun-Lin; Alexis, Andrew J.; Dickie, Diane A.; Gilliard, Jr, Robert J","Geminal bimetallic coordination of a carbone to main-group and transition metals.","Chemical communications (Cambridge, England)","2024","60","14","1880","1883","10.1039/d3cc06226k","","","0.71073","MoKα","","0.069","0.0642","","","0.1661","0.1687","","","","","","1.191","","","","has coordinates,has disorder","290095","2024-03-04","19:51:53",""
"7132630","11.6409","0.0004","23.1633","0.0009","15.8194","0.0007","90","","97.161","0.002","90","","4232.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 Au Bi Cl8 P2 -","- C40 H34 Au Bi Cl8 P2 -","- C160 H136 Au4 Bi4 Cl32 P8 -","4","1","","Obi, Akachukwu D.; Deng, Chun-Lin; Alexis, Andrew J.; Dickie, Diane A.; Gilliard, Jr, Robert J","Geminal bimetallic coordination of a carbone to main-group and transition metals.","Chemical communications (Cambridge, England)","2024","60","14","1880","1883","10.1039/d3cc06226k","","","0.71073","MoKα","","0.0451","0.0315","","","0.0633","0.0681","","","","","","1.033","","","","has coordinates,has disorder","290095","2024-03-04","19:51:53",""
"7132631","12.135","0.0009","16.6073","0.0012","18.5495","0.0013","107.079","0.002","95.331","0.002","99.299","0.002","3487.2","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C141 H87.9 B2 Br2 Cl5.9 F48.05 P4 Sb2 -","- C141 H87.768 B2 Br2 Cl5.768 F48 P4 Sb2 -","- C141 H87.768 B2 Br2 Cl5.768 F48 P4 Sb2 -","1","0.5","","Obi, Akachukwu D.; Deng, Chun-Lin; Alexis, Andrew J.; Dickie, Diane A.; Gilliard, Jr, Robert J","Geminal bimetallic coordination of a carbone to main-group and transition metals.","Chemical communications (Cambridge, England)","2024","60","14","1880","1883","10.1039/d3cc06226k","","","0.71073","MoKα","","0.0699","0.0391","","","0.0765","0.0875","","","","","","1.007","","","","has coordinates,has disorder","290095","2024-03-04","19:51:53",""
"7132632","10.3202","0.0008","20.6841","0.0013","18.508","0.0013","90","","92.122","0.002","90","","3948.1","0.5","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H37 Br F6 O P2 Sb2 -","- C41 H37 Br F6 O P2 Sb2 -","- C164 H148 Br4 F24 O4 P8 Sb8 -","4","1","","Obi, Akachukwu D.; Deng, Chun-Lin; Alexis, Andrew J.; Dickie, Diane A.; Gilliard, Jr, Robert J","Geminal bimetallic coordination of a carbone to main-group and transition metals.","Chemical communications (Cambridge, England)","2024","60","14","1880","1883","10.1039/d3cc06226k","","","0.71073","MoKα","","0.0332","0.0253","","","0.0546","0.058","","","","","","1.023","","","","has coordinates","290095","2024-03-04","19:51:53",""
"7132633","11.6084","0.0008","23.1906","0.0016","15.8524","0.0011","90","","97.164","0.002","90","","4234.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 Au Cl8 P2 Sb -","- C40 H34 Au Cl8 P2 Sb -","- C160 H136 Au4 Cl32 P8 Sb4 -","4","1","","Obi, Akachukwu D.; Deng, Chun-Lin; Alexis, Andrew J.; Dickie, Diane A.; Gilliard, Jr, Robert J","Geminal bimetallic coordination of a carbone to main-group and transition metals.","Chemical communications (Cambridge, England)","2024","60","14","1880","1883","10.1039/d3cc06226k","","","0.71073","MoKα","","0.0638","0.0409","","","0.0896","0.0974","","","","","","1.065","","","","has coordinates","290095","2024-03-04","19:51:53",""
"7132634","16.1797","0.001","15.4641","0.001","9.7077","0.0006","90","","99.032","0.003","90","","2398.8","0.3","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 In N6 -","- C27 H21 In N6 -","- C108 H84 In4 N24 -","4","1","","Fu, Li-Zhi; He, Piao; Wang, Jia-Wei; Ma, Fan; Liu, Chao; Chen, Guo; Yi, Xiao-Yi","Mononuclear indium(III) photosensitizers for photo-dehalogenation and olefin reduction.","Chemical communications (Cambridge, England)","2024","60","12","1595","1598","10.1039/d3cc05273g","","","0.71073","MoKα","","0.1193","0.0947","","","0.2627","0.2823","","","","","","1.071","","","","has coordinates","290105","2024-03-04","19:54:57",""
"7132635","9.9431","0.0002","10.4086","0.0002","14.78","0.0003","83.547","0.002","80.299","0.001","74.885","0.001","1451.83","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H33 In N6 -","- C33 H33 In N6 -","- C66 H66 In2 N12 -","2","1","","Fu, Li-Zhi; He, Piao; Wang, Jia-Wei; Ma, Fan; Liu, Chao; Chen, Guo; Yi, Xiao-Yi","Mononuclear indium(III) photosensitizers for photo-dehalogenation and olefin reduction.","Chemical communications (Cambridge, England)","2024","60","12","1595","1598","10.1039/d3cc05273g","","","0.71073","MoKα","","0.0634","0.0455","","","0.1146","0.1232","","","","","","1.045","","","","has coordinates,has disorder","290105","2024-03-04","19:54:57",""
"7132636","12.4737","0.0003","14.971","0.0004","26.1547","0.0007","90","","92.786","0.001","90","","4878.5","0.2","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 B2 N4 Si -","- C54 H72 B2 N4 Si -","- C216 H288 B8 N16 Si4 -","4","1","","Brückner, Tobias; Duwe, Dario; Fantuzzi, Felipe; Heß, Merlin; Dewhurst, Rian D.; Radacki, Krzysztof; Braunschweig, Holger","Hydrosilylation of BB triple bonds: catalyst- and reductant-free construction of B-Si bonds and B<sub>2</sub>Si heterocycles.","Chemical communications (Cambridge, England)","2024","60","24","3259","3262","10.1039/d4cc00141a","","","0.71073","MoKα","","0.0583","0.0452","","","0.1079","0.1175","","","","","","1.028","","","","has coordinates","290814","2024-04-04","22:29:11",""
"7132637","22.4231","0.0005","11.6708","0.0002","19.4398","0.0005","90","","113.005","0.001","90","","4682.72","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H68 B2 N4 Si -","- C52 H68 B2 N4 Si -","- C208 H272 B8 N16 Si4 -","4","1","","Brückner, Tobias; Duwe, Dario; Fantuzzi, Felipe; Heß, Merlin; Dewhurst, Rian D.; Radacki, Krzysztof; Braunschweig, Holger","Hydrosilylation of BB triple bonds: catalyst- and reductant-free construction of B-Si bonds and B<sub>2</sub>Si heterocycles.","Chemical communications (Cambridge, England)","2024","60","24","3259","3262","10.1039/d4cc00141a","","","0.71073","MoKα","","0.0891","0.0533","","","0.1042","0.1234","","","","","","1.037","","","","has coordinates,has disorder","290814","2024-04-04","22:29:12",""
"7132638","11.641","0.0002","12.3141","0.0003","17.9847","0.0003","95.791","0.002","101.108","0.002","104.877","0.002","2414.05","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C110 H142 B4 N8 Si2 -","- C110 H142 B4 N8 Si2 -","- C110 H142 B4 N8 Si2 -","1","0.5","","Brückner, Tobias; Duwe, Dario; Fantuzzi, Felipe; Heß, Merlin; Dewhurst, Rian D.; Radacki, Krzysztof; Braunschweig, Holger","Hydrosilylation of BB triple bonds: catalyst- and reductant-free construction of B-Si bonds and B<sub>2</sub>Si heterocycles.","Chemical communications (Cambridge, England)","2024","60","24","3259","3262","10.1039/d4cc00141a","","","1.54184","CuKα","","0.0695","0.0642","","","0.1479","0.1505","","","","","","1.112","","","","has coordinates,has disorder","290814","2024-04-04","22:29:12",""
"7132639","24.18452","0.00019","11.44862","0.00012","68.9173","0.0007","90","","90.4985","0.0008","90","","19081.1","0.3","100","2","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C54 H72 B2 N4 Si -","- C54 H72 B2 N4 Si -","- C864 H1152 B32 N64 Si16 -","16","2","","Brückner, Tobias; Duwe, Dario; Fantuzzi, Felipe; Heß, Merlin; Dewhurst, Rian D.; Radacki, Krzysztof; Braunschweig, Holger","Hydrosilylation of BB triple bonds: catalyst- and reductant-free construction of B-Si bonds and B<sub>2</sub>Si heterocycles.","Chemical communications (Cambridge, England)","2024","60","24","3259","3262","10.1039/d4cc00141a","","","1.54184","CuKα","","0.0634","0.0546","","","0.137","0.1427","","","","","","1.072","","","","has coordinates,has disorder","290814","2024-04-04","22:29:12",""
"7132640","5.561","0.003","7.204","0.003","46.69","0.03","87.22","0.03","87.14","0.03","89.974","0.019","1865.9","1.7","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H37 Br -","- C18 H37 Br -","- C72 H148 Br4 -","4","2","","Musozoda, Muhammadiqboli; Muller, 2nd, Joseph E; Anderson, Grace I.; Boucher, Mairead; Zeller, Matthias; Raymond, Casey C.; Hillesheim, Patrick C.; Mirjafari, Arsalan","Alkyl-templated cocrystallization of long-chain 1-bromoalkanes by lipid-like ionic liquids.","Chemical communications (Cambridge, England)","2024","60","13","1723","1726","10.1039/d3cc04834a","","","1.54178","CuKα","","0.1623","0.122","","","0.3285","0.3586","","","","","","0.989","","","","has coordinates","290094","2024-03-04","19:51:16",""
"7132641","8.7215","0.0005","9.0562","0.0006","25.5173","0.0016","93.301","0.002","91.998","0.002","106.02","0.002","1931.3","0.2","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H69 Br2 N S2 -","- C35 H69 Br2 N S2 -","- C70 H138 Br4 N2 S4 -","2","1","","Musozoda, Muhammadiqboli; Muller, 2nd, Joseph E; Anderson, Grace I.; Boucher, Mairead; Zeller, Matthias; Raymond, Casey C.; Hillesheim, Patrick C.; Mirjafari, Arsalan","Alkyl-templated cocrystallization of long-chain 1-bromoalkanes by lipid-like ionic liquids.","Chemical communications (Cambridge, England)","2024","60","13","1723","1726","10.1039/d3cc04834a","","","1.54178","CuKα","","0.0538","0.0486","","","0.1218","0.1283","","","","","","1.069","","","","has coordinates,has disorder","290094","2024-03-04","19:51:16",""
"7132642","8.6976","0.0006","9.0477","0.0006","15.3351","0.0011","96.503","0.003","101.075","0.003","100.606","0.003","1150.16","0.14","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H40 Br N S2 -","- C21 H40 Br N S2 -","- C42 H80 Br2 N2 S4 -","2","1","","Musozoda, Muhammadiqboli; Muller, 2nd, Joseph E; Anderson, Grace I.; Boucher, Mairead; Zeller, Matthias; Raymond, Casey C.; Hillesheim, Patrick C.; Mirjafari, Arsalan","Alkyl-templated cocrystallization of long-chain 1-bromoalkanes by lipid-like ionic liquids.","Chemical communications (Cambridge, England)","2024","60","13","1723","1726","10.1039/d3cc04834a","","","1.54178","CuKα","","0.0492","0.043","","","0.1153","0.1209","","","","","","1.125","","","","has coordinates","290094","2024-03-04","19:51:16",""
"7132643","5.0644","0.0002","7.3853","0.0003","51.831","0.002","90","","90.179","0.002","90","","1938.58","0.13","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H73 N O4 S3 -","- C35 H73 N O4 S3 -","- C70 H146 N2 O8 S6 -","2","1","","Musozoda, Muhammadiqboli; Muller, 2nd, Joseph E; Anderson, Grace I.; Boucher, Mairead; Zeller, Matthias; Raymond, Casey C.; Hillesheim, Patrick C.; Mirjafari, Arsalan","Alkyl-templated cocrystallization of long-chain 1-bromoalkanes by lipid-like ionic liquids.","Chemical communications (Cambridge, England)","2024","60","13","1723","1726","10.1039/d3cc04834a","","","1.54178","CuKα","","0.074","0.0567","","","0.1343","0.1435","","","","","","1.028","","","","has coordinates","290094","2024-03-04","19:51:16",""
"7132644","12.0756","0.0012","8.8912","0.0009","12.87","0.0012","90","","92.604","0.003","90","","1380.4","0.2","273","2","273.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 -","- C17 H16 N2 -","- C68 H64 N8 -","4","1","","Zhao, Mi-Na; Yang, Zi-Mo; Li, Lian-Qing","DMF as an amine source: iron-catalyzed cyclization of 2<i>H</i>-azirines to imidazoles.","Chemical communications (Cambridge, England)","2024","60","14","1904","1907","10.1039/d3cc06147g","","","0.71073","MoKα","","0.1407","0.0926","","","0.2094","0.2366","","","","","","1.228","","","","has coordinates","290098","2024-03-04","19:53:16",""
"7132645","10.2867","0.0018","12.154","0.002","12.446","0.002","79.931","0.003","88.875","0.003","74.591","0.003","1476.4","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H27 N3 S -","- C39 H27 N3 S -","- C78 H54 N6 S2 -","2","1","","Chen, Jianai; Wang, Haiyang; Yu, Yue; Liu, Jin; Zhao, Fengyi; Li, Weijun; Dong, Yujie","Sulphur-induced structural rearrangement in the self-sensitization photo-oxidation behaviour of phenothiazine-imidazole molecules.","Chemical communications (Cambridge, England)","2024","60","14","1888","1891","10.1039/d3cc06031d","","","0.71073","MoKα","","0.0855","0.0521","","","0.1433","0.1576","","","","","","0.915","","","","has coordinates","290099","2024-03-04","19:53:29",""
"7132646","14.239","0.002","8.5693","0.0012","23.345","0.003","90","","102.743","0.003","90","","2778.4","0.7","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H27 N3 O -","- C39 H27 N3 O -","- C156 H108 N12 O4 -","4","1","","Chen, Jianai; Wang, Haiyang; Yu, Yue; Liu, Jin; Zhao, Fengyi; Li, Weijun; Dong, Yujie","Sulphur-induced structural rearrangement in the self-sensitization photo-oxidation behaviour of phenothiazine-imidazole molecules.","Chemical communications (Cambridge, England)","2024","60","14","1888","1891","10.1039/d3cc06031d","","","0.71073","MoKα","","0.1423","0.0585","","","0.1029","0.1305","","","","","","0.997","","","","has coordinates","290099","2024-03-04","19:53:30",""
"7132647","10.8035","0.0015","11.2186","0.0015","15.653","0.002","69.437","0.002","83.85","0.002","70.803","0.002","1677.4","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H29 Cl2 N3 O S -","- C40 H29 Cl2 N3 O S -","- C80 H58 Cl4 N6 O2 S2 -","2","1","","Chen, Jianai; Wang, Haiyang; Yu, Yue; Liu, Jin; Zhao, Fengyi; Li, Weijun; Dong, Yujie","Sulphur-induced structural rearrangement in the self-sensitization photo-oxidation behaviour of phenothiazine-imidazole molecules.","Chemical communications (Cambridge, England)","2024","60","14","1888","1891","10.1039/d3cc06031d","","","0.71073","MoKα","","0.0633","0.0482","","","0.1339","0.1426","","","","","","0.998","","","","has coordinates","290099","2024-03-04","19:53:30",""
"7132648","17.993","0.006","17.184","0.005","9.741","0.003","90","","103.718","0.006","90","","2925.9","1.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H27 N3 O S -","- C39 H27 N3 O S -","- C156 H108 N12 O4 S4 -","4","1","","Chen, Jianai; Wang, Haiyang; Yu, Yue; Liu, Jin; Zhao, Fengyi; Li, Weijun; Dong, Yujie","Sulphur-induced structural rearrangement in the self-sensitization photo-oxidation behaviour of phenothiazine-imidazole molecules.","Chemical communications (Cambridge, England)","2024","60","14","1888","1891","10.1039/d3cc06031d","","","0.71073","MoKα","","0.1125","0.0537","","","0.1107","0.1282","","","","","","1.017","","","","has coordinates","290099","2024-03-04","19:53:30",""
"7132649","10.141","0.004","10.944","0.004","15.802","0.006","90.812","0.005","103.552","0.005","114.74","0.004","1535.9","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H27 N3 S -","- C39 H27 N3 S -","- C78 H54 N6 S2 -","2","1","","Chen, Jianai; Wang, Haiyang; Yu, Yue; Liu, Jin; Zhao, Fengyi; Li, Weijun; Dong, Yujie","Sulphur-induced structural rearrangement in the self-sensitization photo-oxidation behaviour of phenothiazine-imidazole molecules.","Chemical communications (Cambridge, England)","2024","60","14","1888","1891","10.1039/d3cc06031d","","","0.71073","MoKα","","0.1725","0.1296","","","0.2918","0.3013","","","","","","1.372","","","","has coordinates","290099","2024-03-04","19:53:30",""
"7132650","11.0504","0.0002","11.3069","0.0002","13.576","0.0003","112.089","0.002","90.039","0.002","102.919","0.002","1525.21","0.06","123","","123","","","","","","","","","5","P -1","-P 1","2","N-aryl-2-azaphenalenyl radical cation","N-di(isopropyl)phenyl-5,8-di-tert-butyl-2-azaphenalenyl radical cation","","- C32 H41 F6 N P -","- C32 H41 F6 N P -","- C64 H82 F12 N2 P2 -","2","1","","Inoue, Takeru; Matsuura, Yuuka; Horii, Koki; Konishi, Akihito; Nishida, Jun-Ichi; Yasuda, Makoto; Kawase, Takeshi","<i>N</i>-2,6-Di(isopropyl)phenyl-2-azaphenalenyl radical cations.","Chemical communications (Cambridge, England)","2024","60","13","1735","1738","10.1039/d3cc05968e","","x-ray","1.54184","CuKα","","0.0793","0.074","","","0.2083","0.2138","","","","","","1.059","","","","has coordinates","290088","2024-03-04","19:49:41",""
"7132651","7.1044","0.0002","10.0383","0.0003","10.7169","0.0003","102.103","0.003","109.324","0.003","102.128","0.003","672.07","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H14 N3 O2 -","- C17 H13 N3 O2 -","- C34 H26 N6 O4 -","2","1","","Kuroda, Yusuke; Krell, Maya; Kurokawa, Kazuma; Takasu, Kiyosei","Synthesis of mesoionic triazolones <i>via</i> a formal [3+2] cycloaddition between 4-phenyl-1,2,4-triazoline-3,5-dione and alkynes.","Chemical communications (Cambridge, England)","2024","60","13","1719","1722","10.1039/d3cc05088b","","x-ray","1.54184","CuKα","","0.0404","0.0373","","","0.0983","0.1004","","","","","","1.036","","","","has coordinates","290087","2024-03-04","19:49:33",""
"7132652","10.8643","0.0003","11.6179","0.0005","14.5758","0.0008","77.263","0.004","82.321","0.003","84.958","0.003","1775.15","0.14","113.15","","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H38 N2 O3 Pt -","- C46 H38 N2 O3 Pt -","- C92 H76 N4 O6 Pt2 -","2","1","","Ikeshita, Masahiro; Watanabe, Shinya; Suzuki, Seika; Tanaka, Shota; Hattori, Shingo; Shinozaki, Kazuteru; Imai, Yoshitane; Tsuno, Takashi","Circularly polarized phosphorescence with a large dissymmetry factor from a helical platinum(II) complex.","Chemical communications (Cambridge, England)","2024","60","17","2413","2416","10.1039/d3cc06293g","","x-ray","0.71073","MoKα","","0.0866","0.0722","","","0.1848","0.1933","","","","","","1.08","","","","has coordinates","290075","2024-03-04","19:45:06",""
"7132653","11.8288","0.0004","15.4199","0.0005","12.409","0.0004","90","","98.051","0.003","90","","2241.08","0.13","113.15","","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 N2 O Pt -","- C30 H24 N2 O Pt -","- C120 H96 N8 O4 Pt4 -","4","1","","Ikeshita, Masahiro; Watanabe, Shinya; Suzuki, Seika; Tanaka, Shota; Hattori, Shingo; Shinozaki, Kazuteru; Imai, Yoshitane; Tsuno, Takashi","Circularly polarized phosphorescence with a large dissymmetry factor from a helical platinum(II) complex.","Chemical communications (Cambridge, England)","2024","60","17","2413","2416","10.1039/d3cc06293g","","x-ray","0.71073","MoKα","","0.0444","0.0303","","","0.0573","0.0605","","","","","","1.03","","","","has coordinates","290075","2024-03-04","19:45:07",""
"7132654","15.4081","0.0003","10.2686","0.0002","15.6427","0.0003","90","","99.301","0.002","90","","2442.44","0.08","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(Et4N)2[Zn(CN)4]","","","- C20 H40 N6 Zn -","- C20 H40 N6 Zn -","- C80 H160 N24 Zn4 -","4","0.5","","Zhang, Xiaofeng; Li, Yinghua; Fan, Weibin; Huang, Deguang","Direct transformation of nitriles to cyanide using chloride anion as catalyst.","Chemical communications (Cambridge, England)","2024","60","15","2058","2061","10.1039/d3cc04339h","","","1.54184","CuKα","","0.0232","0.0223","","","0.0601","0.0608","","","","","","1.066","","","","has coordinates","290100","2024-03-04","19:53:46",""
"7132655","10.5787","0.0005","13.3611","0.0006","18.6693","0.0008","73.222","0.002","89.394","0.002","84.62","0.002","2514.9","0.2","104","","104","","","","","","","","","6","P -1","-P 1","2","","","","- C57 H34 Cl Co N6 O5 -","- C57 H34 Cl Co N6 O5 -","- C114 H68 Cl2 Co2 N12 O10 -","2","1","","Bulbul, Amir Sohel; Rathour, Vikram; Ganesan, Vellaichamy; Sankar, Muniappan","π-Extended nonplanar cobalt porphyrins immobilized on MWCNTs as efficient electrocatalysts for selective oxygen reduction reaction.","Chemical communications (Cambridge, England)","2024","60","23","3146","3149","10.1039/d3cc05803d","","","0.71073","MoKα","","0.1041","0.0777","","","0.1843","0.1978","","","","","","1.054","","","","has coordinates","290826","2024-04-04","22:35:33",""
"7132656","11.652","0.002","13.232","0.003","16.02","0.003","106.82","0.03","96.99","0.03","110.12","0.03","2151.7","1.1","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H48 Cl2 Cu2 N10 O12 -","- C36 H48 Cl2 Cu2 N10 O12 -","- C72 H96 Cl4 Cu4 N20 O24 -","2","1","","De Tovar, Jonathan; Philouze, Christian; Thibon-Pourret, Aurore; Belle, Catherine","Insights into non-covalent interactions in dicopper(II,II) complexes bearing a naphthyridine scaffold: anion-dictated electrochemistry.","Chemical communications (Cambridge, England)","2024","60","16","2228","2231","10.1039/d3cc06264c","","x-ray","0.71073","MoKα","","0.0368","0.0294","","","0.0742","0.0804","","","","","","1.089","","","","has coordinates,has disorder","290083","2024-03-04","19:48:36",""
"7132657","10.686","0.002","14.011","0.003","8.0619","0.0016","90","","110.87","0.03","90","","1127.8","0.5","200","","200","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 Cu F6 N4 O8 S2 -","- C12 H20 Cu F6 N4 O8 S2 -","- C24 H40 Cu2 F12 N8 O16 S4 -","2","0.5","","De Tovar, Jonathan; Philouze, Christian; Thibon-Pourret, Aurore; Belle, Catherine","Insights into non-covalent interactions in dicopper(II,II) complexes bearing a naphthyridine scaffold: anion-dictated electrochemistry.","Chemical communications (Cambridge, England)","2024","60","16","2228","2231","10.1039/d3cc06264c","","x-ray","0.71073","MoKα","","0.0325","0.0279","","","0.0782","0.0841","","","","","","1.12","","","","has coordinates,has disorder","290083","2024-03-04","19:48:37",""
"7132658","13.529","0.003","20.929","0.004","16.907","0.003","90","","90","","90","","4787.2","1.6","200","","200","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C40 H52 Cu2 F6 N10 O10 S2 -","- C40 H53 Cu2 F6 N10 O10 S2 -","- C160 H212 Cu8 F24 N40 O40 S8 -","4","0.5","","De Tovar, Jonathan; Philouze, Christian; Thibon-Pourret, Aurore; Belle, Catherine","Insights into non-covalent interactions in dicopper(II,II) complexes bearing a naphthyridine scaffold: anion-dictated electrochemistry.","Chemical communications (Cambridge, England)","2024","60","16","2228","2231","10.1039/d3cc06264c","","x-ray","0.71073","MoKα","","0.0626","0.0409","","","0.0956","0.1114","","","","","","1.121","","","","has coordinates,has disorder","290083","2024-03-04","19:48:37",""
"7132659","11.5059","0.001","15.193","0.002","15.47","0.002","76.645","0.009","73.531","0.009","68.4","0.007","2386.8","0.5","200","","200","","","","","","","","","8","P -1","-P 1","2","","","","- C37.12 H54.51 B2 Cl0.37 Cu2 F8 N10.38 O6.26 -","- C37.124 H54.508 B2 Cl0.364 Cu2 F8 N10.376 O6.261 -","- C74.248 H109.016 B4 Cl0.728 Cu4 F16 N20.752 O12.522 -","2","1","","De Tovar, Jonathan; Philouze, Christian; Thibon-Pourret, Aurore; Belle, Catherine","Insights into non-covalent interactions in dicopper(II,II) complexes bearing a naphthyridine scaffold: anion-dictated electrochemistry.","Chemical communications (Cambridge, England)","2024","60","16","2228","2231","10.1039/d3cc06264c","","x-ray","0.71073","MoKα","","0.0606","0.0429","","","0.1086","0.1261","","","","","","1.11","","","","has coordinates,has disorder","290083","2024-03-04","19:48:37",""
"7132660","11.301","0.002","23.093","0.005","6.9978","0.0014","90","","105.89","0.03","90","","1756.5","0.7","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 N4 O7 -","- C15 H20 N4 O7 -","- C60 H80 N16 O28 -","4","1","","De Tovar, Jonathan; Philouze, Christian; Thibon-Pourret, Aurore; Belle, Catherine","Insights into non-covalent interactions in dicopper(II,II) complexes bearing a naphthyridine scaffold: anion-dictated electrochemistry.","Chemical communications (Cambridge, England)","2024","60","16","2228","2231","10.1039/d3cc06264c","","x-ray","0.71073","MoKα","","0.1134","0.0972","","","0.2889","0.3039","","","","","","1.087","","","","has coordinates,has disorder","290083","2024-03-04","19:48:37",""
"7132661","33.06","0.0002","33.06","0.0002","33.06","0.0002","90","","90","","90","","36133.4","0.4","130.15","","130.15","","","","","","","","","4","I a -3","-I 2b 2c 3","206","","","","- C126 H102 N6 S6 -","- C126 H102 N6 S6 -","- C1008 H816 N48 S48 -","8","0.166667","","Yamamoto, Koji; Tsutsui, Kanta; Tanuma, Miho; Ito, Kaname; Wakamatsu, Kan; Yamamoto, Koji; Nakamura, Yosuke","Phenothiazine cyclic hexamers: synthesis, properties, and complexation behavior with C<sub>60</sub>.","Chemical communications (Cambridge, England)","2024","60","16","2220","2223","10.1039/d3cc06206f","","x-ray","0.71073","MoKα","","0.0679","0.0574","","","0.1837","0.1938","","","","","","1.093","","","","has coordinates","290085","2024-03-04","19:49:09",""
"7132662","15.847","0.002","16.418","0.003","34.089","0.005","90","","101.579","0.005","90","","8689","2","170","","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H98 N13 O24 Sc3 -","- C60 H42 N5 O16 Sc3 -","- C240 H168 N20 O64 Sc12 -","4","1","","Wang, Hao; Shi, Le; Xiong, Zhangyi; Ma, Si; Cao, Honghao; Cai, Shijia; Qiao, Zhiwei; Pan, Jun; Chen, Zhijie","A two-dimensional metal-organic framework assembled from scandium-based cages for the selective capture of sulfur hexafluoride.","Chemical communications (Cambridge, England)","2024","60","17","2397","2400","10.1039/d3cc05087d","","","1.34139","GaKα","","0.1084","0.0863","","","0.251","0.2754","","","","","","1.061","","","","has coordinates","290074","2024-03-04","19:44:53",""
"7132663","11.571","0.004","21.464","0.008","8.872","0.003","90","","107.385","0.009","90","","2102.8","1.3","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 F3 N3 O2 -","- C25 H16 F3 N3 O2 -","- C100 H64 F12 N12 O8 -","4","1","","Lai, Dipti; Bhattacharjee, Suvam; Mandal, Saurodeep; Ghosh, Sumit; Sahoo, Prithidipa; Sinha, Subrata; Hajra, Alakananda","Iodine(III)-promoted oxidative carbotrifluoromethylation of maleimides with imidazopyridines and Langlois' reagent.","Chemical communications (Cambridge, England)","2024","60","16","2232","2235","10.1039/d3cc05889a","","","0.71073","MoKα","","0.0514","0.041","","","0.1038","0.1205","","","","","","1.085","","","","has coordinates","290084","2024-03-04","19:48:47",""
"7132664","13.6416","0.0003","13.6416","0.0003","14.5402","0.0006","90","","90","","90","","2705.83","0.14","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C38 H20 Co N6 -","- C38 H20 Co N6 -","- C152 H80 Co4 N24 -","4","0.25","","Mine, Kosuke; Arae, Sachie; Murakawa, Hiroshi; Tsuchiizu, Masahisa; Hanasaki, Noriaki; Matsuda, Masaki","Diamond lattice in single-component molecular crystals comprising tetrabenzoporphyrin neutral radicals.","Chemical communications (Cambridge, England)","2024","60","22","3019","3022","10.1039/d3cc05948k","","x-ray","0.71073","MoKα","","0.0444","0.0357","","","0.0957","0.101","","","","","","1.107","","","","has coordinates","291504","2024-05-05","00:43:49",""
"7132665","13.7275","0.0003","13.7275","0.0003","14.5027","0.0007","90","","90","","90","","2732.95","0.16","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C38 H20 Fe N6 -","- C38 H20 Fe N6 -","- C152 H80 Fe4 N24 -","4","0.25","","Mine, Kosuke; Arae, Sachie; Murakawa, Hiroshi; Tsuchiizu, Masahisa; Hanasaki, Noriaki; Matsuda, Masaki","Diamond lattice in single-component molecular crystals comprising tetrabenzoporphyrin neutral radicals.","Chemical communications (Cambridge, England)","2024","60","22","3019","3022","10.1039/d3cc05948k","","x-ray","0.71073","MoKα","","0.0578","0.0404","","","0.1069","0.1161","","","","","","1.073","","","","has coordinates","291504","2024-05-05","00:43:56",""
"7132666","13.789","0.0004","13.789","0.0004","14.4334","0.0008","90","","90","","90","","2744.32","0.19","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C36 H20 Cl2 Mn N4 -","- C36 H20 Cl2 Mn N4 -","- C144 H80 Cl8 Mn4 N16 -","4","0.25","","Mine, Kosuke; Arae, Sachie; Murakawa, Hiroshi; Tsuchiizu, Masahisa; Hanasaki, Noriaki; Matsuda, Masaki","Diamond lattice in single-component molecular crystals comprising tetrabenzoporphyrin neutral radicals.","Chemical communications (Cambridge, England)","2024","60","22","3019","3022","10.1039/d3cc05948k","","x-ray","0.71073","MoKα","","0.0551","0.0379","","","0.1103","0.1199","","","","","","1.077","","","","has coordinates","291504","2024-05-05","00:43:56",""
"7132667","50.9312","0.0003","50.9312","0.0003","64.4799","0.0007","90","","90","","90","","167260","2","100","0.2","100","0.2","","","","","","","","8","I 41/a c d :2","-I 4bd 2c","142","","","","- C360 H380 B2 Cu58 F8 O12 P4 S36 -","- C360 H360 Cu58 O12 P4 S36 -","- C5760 H5760 Cu928 O192 P64 S576 -","16","0.5","","Zhang, Qian; Zheng, Hao; Zhou, Jie; Yang, Jia-Ji; Xu, Kai-Yue; Shen, Lian-Yun; Guan, Zong-Jie; Yang, Yang","A bowl-shaped phosphangulene-protected cubic Cu<sub>58</sub> nanocluster.","Chemical communications (Cambridge, England)","2024","60","17","2389","2392","10.1039/d3cc05791g","","x-ray","1.54184","CuKα","","0.1647","0.1516","","","0.4693","0.4847","","","","","","2.257","","","","has coordinates,has disorder","290076","2024-03-04","19:45:56",""
"7132668","10.2222","0.0003","10.4342","0.0004","27.3088","0.0011","90","","90","","90","","2912.77","0.18","180","","180","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 Cl2 N2 O4 -","- C32 H34 Cl2 N2 O4 -","- C128 H136 Cl8 N8 O16 -","4","1","","Qiu, Xujun; Seibert, Jasmin; Fuhr, Olaf; Biedermann, Frank; Bräse, Stefan","Reversing the stereoselectivity of intramolecular [2+2] photocycloaddition utilizing cucurbit[8]uril as a molecular flask.","Chemical communications (Cambridge, England)","2024","60","24","3267","3270","10.1039/d3cc05783f","","x-ray","1.34143","GaKα","","0.071","0.0692","","","0.1833","0.185","","","","","","1.041","","","","has coordinates","290810","2024-04-04","22:27:50",""
"7132669","9.9127","0.0003","12.0311","0.0004","17.7893","0.0007","96.019","0.001","99.704","0.001","95.561","0.001","2065.42","0.12","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H46 N10 O8 P4 -","- C38 H46 N10 O8 P4 -","- C76 H92 N20 O16 P8 -","2","1","","Shayan, Mohsen; Abdollahi, Maryam F.; Lawrence, Mason Chester; Guinand, Etienne C.; Goulet, Maxime; George, Tanner; Masuda, Jason D.; Katz, Michael J.; Laventure, Audrey; Werner-Zwanziger, Ulrike; Chitnis, Saurabh S.","Rigid PN cages as 3-dimensional building blocks for crystalline or amorphous networked materials.","Chemical communications (Cambridge, England)","2024","60","19","2629","2632","10.1039/d3cc05804b","","","0.71073","MoKα","","0.0798","0.0564","","","0.1368","0.1692","","","","","","1.183","","","","has coordinates","290078","2024-03-04","19:46:40",""
"7132670","9.0435","0.00015","10.15596","0.00016","10.73364","0.00012","108.653","0.0012","99.9637","0.0012","113.648","0.0016","802.4","0.03","99.9","0.3","99.9","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18.8 N5 O2 P -","- C15 H18.8 N5 O2 P -","- C30 H37.6 N10 O4 P2 -","2","1","","Shayan, Mohsen; Abdollahi, Maryam F.; Lawrence, Mason Chester; Guinand, Etienne C.; Goulet, Maxime; George, Tanner; Masuda, Jason D.; Katz, Michael J.; Laventure, Audrey; Werner-Zwanziger, Ulrike; Chitnis, Saurabh S.","Rigid PN cages as 3-dimensional building blocks for crystalline or amorphous networked materials.","Chemical communications (Cambridge, England)","2024","60","19","2629","2632","10.1039/d3cc05804b","","x-ray","1.54184","CuKα","","0.0486","0.0447","","0.1126","0.1097","0.1126","","","","","","1.0002","","","","has coordinates,has disorder","290078","2024-03-04","19:46:44",""
"7132671","17.7137","0.0004","10.1405","0.0002","18.5083","0.0004","90","","92.467","0.001","90","","3321.49","0.12","200","","200","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H80 N20 O12 P4 Zn2 -","- C52 H80 N20 O12 P4 Zn2 -","- C104 H160 N40 O24 P8 Zn4 -","2","0.5","","Shayan, Mohsen; Abdollahi, Maryam F.; Lawrence, Mason Chester; Guinand, Etienne C.; Goulet, Maxime; George, Tanner; Masuda, Jason D.; Katz, Michael J.; Laventure, Audrey; Werner-Zwanziger, Ulrike; Chitnis, Saurabh S.","Rigid PN cages as 3-dimensional building blocks for crystalline or amorphous networked materials.","Chemical communications (Cambridge, England)","2024","60","19","2629","2632","10.1039/d3cc05804b","","","1.54178","CuKα","","0.1846","0.1352","","","0.3327","0.4196","","","","","","1.664","","","","has coordinates,has disorder","290078","2024-03-04","19:46:51",""
"7132672","12.2983","0.0007","10.2366","0.0005","22.8341","0.0012","90","","94.766","0.002","90","","2864.7","0.3","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H66 Co2 N18 O10 P4 -","- C46 H66 Co2 N18 O10 P4 -","- C92 H132 Co4 N36 O20 P8 -","2","0.5","","Shayan, Mohsen; Abdollahi, Maryam F.; Lawrence, Mason Chester; Guinand, Etienne C.; Goulet, Maxime; George, Tanner; Masuda, Jason D.; Katz, Michael J.; Laventure, Audrey; Werner-Zwanziger, Ulrike; Chitnis, Saurabh S.","Rigid PN cages as 3-dimensional building blocks for crystalline or amorphous networked materials.","Chemical communications (Cambridge, England)","2024","60","19","2629","2632","10.1039/d3cc05804b","","","0.71073","MoKα","","0.1131","0.0667","","","0.1393","0.1606","","","","","","1.133","","","","has coordinates,has disorder","290078","2024-03-04","19:47:00",""
"7132673","17.5968","0.0015","10.1687","0.001","18.3843","0.0017","90","","92.14","0.003","90","","3287.3","0.5","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H80 Co2 N20 O12 P4 -","- C52 H80 Co2 N20 O12 P4 -","- C104 H160 Co4 N40 O24 P8 -","2","0.5","","Shayan, Mohsen; Abdollahi, Maryam F.; Lawrence, Mason Chester; Guinand, Etienne C.; Goulet, Maxime; George, Tanner; Masuda, Jason D.; Katz, Michael J.; Laventure, Audrey; Werner-Zwanziger, Ulrike; Chitnis, Saurabh S.","Rigid PN cages as 3-dimensional building blocks for crystalline or amorphous networked materials.","Chemical communications (Cambridge, England)","2024","60","19","2629","2632","10.1039/d3cc05804b","","","0.71073","MoKα","","0.0689","0.0529","","","0.1332","0.1427","","","","","","1.106","","","","has coordinates,has disorder","290078","2024-03-04","19:47:09",""
"7132674","4.3436","0.0007","6.3169","0.001","7.0009","0.0012","92.888","0.008","95.126","0.007","104.803","0.007","184.44","0.05","302","","302","","","","","","","","","4","P -1","-P 1","2","","","","- B2 F O4 Sb -","- B2 F O4 Sb -","- B4 F2 O8 Sb2 -","2","1","","Hu, Chenhui; Wu, Mengfan; Han, Jian; Yang, Zhihua; Han, Shujuan; Pan, Shilie","New antimony fluorooxoborates with strong birefringence and unprecedented structural characterisation.","Chemical communications (Cambridge, England)","2024","60","19","2653","2656","10.1039/d3cc05784d","","","0.71073","MoKα","","0.0699","0.063","","","0.1626","0.1667","","","","","","1.169","","","","has coordinates","290080","2024-03-04","19:47:32",""
"7132675","7.534","0.002","12.716","0.003","15.945","0.004","90","","90","","90","","1527.6","0.7","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H16 F2 O2 -","- C19 H16 F2 O2 -","- C76 H64 F8 O8 -","4","1","","Yu, Jiulong; Wu, Jinyu; Zhu, Yu; Xiong, Dong; Yang, Lin; Li, Jun; Zheng, Jianfeng","Chiral phosphoric acid-catalyzed enantioselective [5+1] cycloaddition reaction of <i>C</i>,<i>N</i>-cyclic azomethine imines with isocyanides.","Chemical communications (Cambridge, England)","2024","60","19","2637","2640","10.1039/d3cc05890e","","","1.54178","CuKα","","0.043","0.0318","","","0.0762","0.0946","","","","","","1.168","","","","has coordinates","290081","2024-03-04","19:47:50",""
"7132676","24.3936","0.0008","24.3936","0.0008","16.9622","0.0008","90","","90","","90","","10093.3","0.7","173","2","173","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C27 H24 N4 O -","- C27 H24 N4 O -","- C432 H384 N64 O16 -","16","1","","Yu, Jiulong; Wu, Jinyu; Zhu, Yu; Xiong, Dong; Yang, Lin; Li, Jun; Zheng, Jianfeng","Chiral phosphoric acid-catalyzed enantioselective [5+1] cycloaddition reaction of <i>C</i>,<i>N</i>-cyclic azomethine imines with isocyanides.","Chemical communications (Cambridge, England)","2024","60","19","2637","2640","10.1039/d3cc05890e","","","1.54178","CuKα","","0.0795","0.0664","","","0.1629","0.1736","","","","","","1.052","","","","has coordinates,has disorder","290081","2024-03-04","19:47:51",""
"7132677","26.264","0.002","9.4519","0.0008","18.6059","0.0014","90","","90","","90","","4618.8","0.6","293","2","293.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C27 H24 N4 O -","- C27 H24 N4 O -","- C216 H192 N32 O8 -","8","1","","Yu, Jiulong; Wu, Jinyu; Zhu, Yu; Xiong, Dong; Yang, Lin; Li, Jun; Zheng, Jianfeng","Chiral phosphoric acid-catalyzed enantioselective [5+1] cycloaddition reaction of <i>C</i>,<i>N</i>-cyclic azomethine imines with isocyanides.","Chemical communications (Cambridge, England)","2024","60","19","2637","2640","10.1039/d3cc05890e","","x-ray","0.71073","MoKα","","0.1108","0.0606","","","0.1332","0.1528","","","","","","1.006","","","","has coordinates","290081","2024-03-04","19:47:51",""
"7132678","10.1692","0.0002","9.7507","0.0002","23.6934","0.0005","90","","101.686","0.001","90","","2300.67","0.08","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H22 Cl2 N4 O -","- C27 H22 Cl2 N4 O -","- C108 H88 Cl8 N16 O4 -","4","2","","Yu, Jiulong; Wu, Jinyu; Zhu, Yu; Xiong, Dong; Yang, Lin; Li, Jun; Zheng, Jianfeng","Chiral phosphoric acid-catalyzed enantioselective [5+1] cycloaddition reaction of <i>C</i>,<i>N</i>-cyclic azomethine imines with isocyanides.","Chemical communications (Cambridge, England)","2024","60","19","2637","2640","10.1039/d3cc05890e","","","1.54178","CuKα","","0.0368","0.0329","","","0.0759","0.0783","","","","","","1.059","","","","has coordinates","290081","2024-03-04","19:47:51",""
"7132679","7.8608","0.0005","18.2829","0.0012","13.4885","0.0009","90","","96.3335","0.0012","90","","1926.7","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 Br N3 O2 -","- C23 H18 Br N3 O2 -","- C92 H72 Br4 N12 O8 -","4","1","","Aghaie, Kimia; Amiri, Kamran; Rezaei-Gohar, Mohammad; Rominger, Frank; Dar'in, Dmitry; Sapegin, Alexander; Balalaie, Saeed","Transition-metal-free intramolecular double hydrofunctionalization of alkyne to access 6/7/5-fused heterocyclic skeletons.","Chemical communications (Cambridge, England)","2024","60","19","2661","2664","10.1039/d3cc05724k","","","0.71073","MoKα","","0.055","0.0337","","","0.0684","0.0747","","","","","","1.026","","","","has coordinates","290077","2024-03-04","19:46:14",""
"7132680","9.9612","0.0007","15.0034","0.0009","13.3232","0.0009","90","","99.6334","0.0018","90","","1963.1","0.2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 Br N3 O -","- C23 H18 Br N3 O -","- C92 H72 Br4 N12 O4 -","4","1","","Aghaie, Kimia; Amiri, Kamran; Rezaei-Gohar, Mohammad; Rominger, Frank; Dar'in, Dmitry; Sapegin, Alexander; Balalaie, Saeed","Transition-metal-free intramolecular double hydrofunctionalization of alkyne to access 6/7/5-fused heterocyclic skeletons.","Chemical communications (Cambridge, England)","2024","60","19","2661","2664","10.1039/d3cc05724k","","","0.71073","MoKα","","0.0839","0.0421","","","0.0887","0.1034","","","","","","1.029","","","","has coordinates","290077","2024-03-04","19:46:14",""
"7132681","9.4364","0.0012","30.672","0.004","24.941","0.003","90","","94.189","0.005","90","","7199.5","1.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","FLG-359","","- C26 H19 Mo O6 P -","- C26 H19 Mo O6 P -","- C312 H228 Mo12 O72 P12 -","12","3","","Gleim, Florian; Schnakenburg, Gregor; Ferao, Arturo Espinosa; Streubel, Rainer","Arbuzov meets 1,2-oxaphosphetanes: transient 1,2-oxaphosphetan-2-iums as an entry point to beta-halo phosphane oxides and P-containing oligomers.","Chemical communications (Cambridge, England)","2024","60","19","2625","2628","10.1039/d4cc00254g","","x-ray","0.71073","MoKα","","0.0897","0.0689","","","0.1525","0.1627","","","","","","1.085","","","","has coordinates","290082","2024-03-04","19:48:15",""
"7132682","9.5566","0.0007","10.874","0.0007","12.1513","0.0008","97.716","0.003","112.057","0.003","109.43","0.003","1054.03","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","FLG-327","","- C24 H24 Br O3 P -","- C24 H24 Br O3 P -","- C48 H48 Br2 O6 P2 -","2","1","","Gleim, Florian; Schnakenburg, Gregor; Ferao, Arturo Espinosa; Streubel, Rainer","Arbuzov meets 1,2-oxaphosphetanes: transient 1,2-oxaphosphetan-2-iums as an entry point to beta-halo phosphane oxides and P-containing oligomers.","Chemical communications (Cambridge, England)","2024","60","19","2625","2628","10.1039/d4cc00254g","","x-ray","0.71073","MoKα","","0.0299","0.0259","","","0.0641","0.0661","","","","","","1.049","","","","has coordinates","290082","2024-03-04","19:48:16",""
"7132683","8.1143","0.001","8.9827","0.0013","12.4136","0.0016","94.652","0.011","90.566","0.01","113.742","0.01","824.6","0.2","123","","123","2","","","","","","","","4","P -1","-P 1","2","","FLG-326","","- C21 H19 O P -","- C21 H19 O P -","- C42 H38 O2 P2 -","2","1","","Gleim, Florian; Schnakenburg, Gregor; Ferao, Arturo Espinosa; Streubel, Rainer","Arbuzov meets 1,2-oxaphosphetanes: transient 1,2-oxaphosphetan-2-iums as an entry point to beta-halo phosphane oxides and P-containing oligomers.","Chemical communications (Cambridge, England)","2024","60","19","2625","2628","10.1039/d4cc00254g","","","0.71073","MoKα","","0.1409","0.0611","","","0.1392","0.172","","","","","","0.91","","","","has coordinates","290082","2024-03-04","19:48:16",""
"7132684","8.8789","0.0004","9.5863","0.0004","13.4826","0.0005","84.831","0.003","87.383","0.003","65.062","0.003","1036.32","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","FLG-457","","- C24 H24 Br O2 P -","- C24 H24 Br O2 P -","- C48 H48 Br2 O4 P2 -","2","1","","Gleim, Florian; Schnakenburg, Gregor; Ferao, Arturo Espinosa; Streubel, Rainer","Arbuzov meets 1,2-oxaphosphetanes: transient 1,2-oxaphosphetan-2-iums as an entry point to beta-halo phosphane oxides and P-containing oligomers.","Chemical communications (Cambridge, England)","2024","60","19","2625","2628","10.1039/d4cc00254g","","","1.54186","CuKα","","0.0664","0.0541","","","0.1413","0.1529","","","","","","1.047","","","","has coordinates","290082","2024-03-04","19:48:16",""
"7132685","9.4957","0.0006","18.3164","0.0014","22.5419","0.0016","99.296","0.002","92.701","0.002","95.011","0.002","3846.9","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","FLG-308","","- C28 H23 Mo O6 P -","- C28 H23 Mo O6 P -","- C168 H138 Mo6 O36 P6 -","6","3","","Gleim, Florian; Schnakenburg, Gregor; Ferao, Arturo Espinosa; Streubel, Rainer","Arbuzov meets 1,2-oxaphosphetanes: transient 1,2-oxaphosphetan-2-iums as an entry point to beta-halo phosphane oxides and P-containing oligomers.","Chemical communications (Cambridge, England)","2024","60","19","2625","2628","10.1039/d4cc00254g","","x-ray","0.71073","MoKα","","0.1453","0.065","","","0.1379","0.1588","","","","","","0.996","","","","has coordinates","290082","2024-03-04","19:48:16",""
"7132686","8.9276","0.0015","10.5777","0.0017","14.307","0.002","69.469","0.006","84.259","0.007","72.909","0.007","1209.4","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","FLG-350","","- C29 H26 Br O2 P -","- C29 H26 Br O2 P -","- C58 H52 Br2 O4 P2 -","2","1","","Gleim, Florian; Schnakenburg, Gregor; Ferao, Arturo Espinosa; Streubel, Rainer","Arbuzov meets 1,2-oxaphosphetanes: transient 1,2-oxaphosphetan-2-iums as an entry point to beta-halo phosphane oxides and P-containing oligomers.","Chemical communications (Cambridge, England)","2024","60","19","2625","2628","10.1039/d4cc00254g","","x-ray","0.71073","MoKα","","0.151","0.0874","","","0.2096","0.2394","","","","","","1.078","","","","has coordinates","290082","2024-03-04","19:48:16",""
"7132687","16.4099","0.0016","10.0684","0.001","18.6788","0.0016","90","","90","","90","","3086.1","0.5","100","2","100.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H15 F O -","- C20 H15 F O -","- C160 H120 F8 O8 -","8","1","","Zhang, Zhou; Li, Jin; Cai, Zhiwei; Kang, Songyao; Wang, Jian; Cui, Yue; Han, Siyuan; Sheng, Lei; Yin, Qing; Dai, Ang; Zhao, Weining; Zhao, Fangyuan","Electrochemical aerobic Wacker-type oxygenation of triaryl substituted alkenes to 1,2,2-triarylethanones.","Chemical communications (Cambridge, England)","2024","60","22","3035","3038","10.1039/d3cc05770d","","","1.54178","CuKα","","0.0998","0.0822","","","0.217","0.2324","","","","","","1.081","","","","has coordinates,has disorder","291502","2024-05-05","00:41:46",""
"7132688","6.2987","0.0004","7.8754","0.0005","36.641","0.002","90","","90","","90","","1817.57","0.19","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","md_zxj4","","","- C23 H18 N2 O -","- C23 H18 N2 O -","- C92 H72 N8 O4 -","4","1","","Wang, Mingxu; Gao, Ying; Zhao, Xiao-Jing; Gao, Lu; He, Yonghui","Electrochemical multicomponent [2+2+1] cascade cyclization of enaminones and primary amines towards the synthesis of 4-acylimidazoles.","Chemical communications (Cambridge, England)","2024","60","19","2677","2680","10.1039/d3cc06196e","","","1.54178","CuKα","","0.08","0.0706","","","0.2053","0.2108","","","","","","1.096","","","","has coordinates","290079","2024-03-04","19:47:24",""
"7132689","11.3222","0.0011","12.2948","0.0012","20.0701","0.0019","98.212","0.004","91.794","0.004","114.236","0.004","2508.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H71 Cl Ga Ge N2 -","- C56 H71 Cl Ga Ge N2 -","- C112 H142 Cl2 Ga2 Ge2 N4 -","2","1","","Bücker, Anna; Gehlhaar, Alexander; Wölper, Christoph; Schulz, Stephan","Activation of non-polar bonds by an electron-rich gallagermylene.","Chemical communications (Cambridge, England)","2024","60","21","2902","2905","10.1039/d3cc06223f","","","0.71073","MoKα","","0.0704","0.0424","","","0.0993","0.1106","","","","","","1.025","","","","has coordinates,has disorder","290830","2024-04-04","22:36:58",""
"7132690","45.016","0.004","10.0401","0.0008","23.339","0.0018","90","","102.56","0.004","90","","10296","1.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C53 H66 Cl Ga Ge N2 P4 -","- C53 H66 Cl Ga Ge N2 P4 -","- C424 H528 Cl8 Ga8 Ge8 N16 P32 -","8","1","","Bücker, Anna; Gehlhaar, Alexander; Wölper, Christoph; Schulz, Stephan","Activation of non-polar bonds by an electron-rich gallagermylene.","Chemical communications (Cambridge, England)","2024","60","21","2902","2905","10.1039/d3cc06223f","","","0.71073","MoKα","","0.0676","0.0413","","","0.0929","0.1064","","","","","","1.113","","","","has coordinates,has disorder","290830","2024-04-04","22:36:59",""
"7132691","8.733","0.003","16.125","0.007","16.631","0.007","90","","90","","90","","2342","1.6","299","2","299","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H21 F O -","- C33 H21 F O -","- C132 H84 F4 O4 -","4","1","","Hore, Soumyadip; Singh, Abhijeet; Singh, Ravi P.","Asymmetric 1,2-diaxial synthesis of bi-(hetero)aryl benzofulvene atropisomers <i>via</i> transient directing group-assisted dehydrogenative coupling.","Chemical communications (Cambridge, England)","2024","60","18","2524","2527","10.1039/d3cc06011j","","","0.71073","MoKα","","0.0942","0.0434","","","0.0952","0.1175","","","","","","1.004","","","","has coordinates","290101","2024-03-04","19:53:57",""
"7132692","15.5477","0.0017","14.2729","0.0013","16.1793","0.0016","90","","92.941","0.004","90","","3585.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 Br Cl2 N3 -","- C44 H36 Br Cl2 N3 -","- C176 H144 Br4 Cl8 N12 -","4","1","","Bernt, Felix; Leonhardt, Christopher M.; Schatz, Dominic; Wegner, Hermann A.","Synthesis and investigation of a <i>meta</i>[6]cycloparaphenylene gold(I) <i>N</i>-heterocyclic carbene complex.","Chemical communications (Cambridge, England)","2024","60","22","3055","3058","10.1039/d3cc06225b","","","0.71073","MoKα","","0.0854","0.0666","","","0.1907","0.2144","","","","","","1.023","","","","has coordinates","291503","2024-05-05","00:42:54",""
"7132693","10.2999","0.0005","14.4369","0.0008","17.7726","0.0009","90","","98.815","0.002","90","","2611.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C57 H46 Au Br Cl8 N2 -","- C57 H46 Au Br Cl8 N2 -","- C114 H92 Au2 Br2 Cl16 N4 -","2","0.5","","Bernt, Felix; Leonhardt, Christopher M.; Schatz, Dominic; Wegner, Hermann A.","Synthesis and investigation of a <i>meta</i>[6]cycloparaphenylene gold(I) <i>N</i>-heterocyclic carbene complex.","Chemical communications (Cambridge, England)","2024","60","22","3055","3058","10.1039/d3cc06225b","","","0.71073","MoKα","","0.0487","0.0471","","","0.115","0.1163","","","","","","1.095","","","","has coordinates,has disorder","291503","2024-05-05","00:42:59",""
"7132694","14.1352","0.0004","15.4491","0.0005","19.4502","0.0006","85.75","0.002","69.641","0.002","64.337","0.003","3574.6","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H51 O P Si -","- C39 H51 O P Si -","- C156 H204 O4 P4 Si4 -","4","2","","Tokura, Yu; Xu, Shibo; Yasui, Kosuke; Nishii, Yuji; Hirano, Koji","Pd-catalysed C-H alkynylation of benzophospholes.","Chemical communications (Cambridge, England)","2024","60","20","2792","2795","10.1039/d3cc05994d","","x-ray","0.71073","MoKα","","0.1073","0.0916","","","0.2915","0.3","","","","","","1.095","","","","has coordinates","296876","2024-12-16","17:34:43",""
"7132695","14.0465","0.0002","14.1358","0.0002","14.4268","0.0002","118.189","0.002","92.506","0.001","114.771","0.002","2185.5","0.1","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H32 Cl6 O2 P2 S -","- C46 H32 Cl6 O2 P2 S -","- C92 H64 Cl12 O4 P4 S2 -","2","1","","Tokura, Yu; Xu, Shibo; Yasui, Kosuke; Nishii, Yuji; Hirano, Koji","Pd-catalysed C-H alkynylation of benzophospholes.","Chemical communications (Cambridge, England)","2024","60","20","2792","2795","10.1039/d3cc05994d","","x-ray","1.54184","CuKα","","0.0496","0.045","","","0.1195","0.1234","","","","","","1.068","","","","has coordinates","290824","2024-04-04","22:34:36",""
"7132696","9.475","0.0002","18.8265","0.0003","12.489","0.0002","90","","109.249","0.002","90","","2103.26","0.07","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 O2 P -","- C29 H21 O2 P -","- C116 H84 O8 P4 -","4","1","","Tokura, Yu; Xu, Shibo; Yasui, Kosuke; Nishii, Yuji; Hirano, Koji","Pd-catalysed C-H alkynylation of benzophospholes.","Chemical communications (Cambridge, England)","2024","60","20","2792","2795","10.1039/d3cc05994d","","x-ray","1.54184","CuKα","","0.0421","0.0377","","","0.1013","0.1052","","","","","","1.06","","","","has coordinates","290824","2024-04-04","22:34:36",""
"7132697","9.9714","0.0002","10.8463","0.0002","22.5248","0.0004","77.043","0.002","86.915","0.002","82.273","0.002","2351.83","0.08","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H22 N3 O P -","- C29 H22 N3 O P -","- C116 H88 N12 O4 P4 -","4","2","","Tokura, Yu; Xu, Shibo; Yasui, Kosuke; Nishii, Yuji; Hirano, Koji","Pd-catalysed C-H alkynylation of benzophospholes.","Chemical communications (Cambridge, England)","2024","60","20","2792","2795","10.1039/d3cc05994d","","x-ray","1.54184","CuKα","","0.0464","0.0417","","","0.1109","0.1152","","","","","","1.054","","","","has coordinates","296876","2024-12-16","17:34:43",""
"7132698","10.416","0.004","19.09","0.008","11.659","0.005","90","","113.372","0.013","90","","2128.1","1.5","137","","137","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 O5 S -","- C24 H26 O5 S -","- C96 H104 O20 S4 -","4","1","","Mishra, Manmath; Verma, Kshitiz; Banerjee, Sonbidya; Punniyamurthy, Tharmalingam","Iron-catalyzed cascade C-C/C-O bond formation of 2,4-dienals with donor-acceptor cyclopropanes: access to functionalized hexahydrocyclopentapyrans.","Chemical communications (Cambridge, England)","2024","60","20","2788","2791","10.1039/d3cc06261a","","","0.71073","MoKα","","0.0689","0.0633","","","0.1866","0.1949","","","","","","1.043","","","","has coordinates","290822","2024-04-04","22:34:02",""
"7132699","8.4622","0.0007","17.4106","0.0013","10.0167","0.0007","90","","109.344","0.005","90","","1392.47","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N O3 -","- C14 H19 N O3 -","- C56 H76 N4 O12 -","4","1","","Koch, Katelyn N.; Teo, Aaron J.; Wheeler, Kraig A.","Dual space divergence in small molecule quasiracemates: benzoyl leucine and phenylalanine assemblies.","Chemical communications (Cambridge, England)","2024","60","20","2800","2803","10.1039/d3cc06212k","","x-ray","1.54178","CuKα","K-L~3~","0.0897","0.0559","","","0.1299","0.1522","","","","","","1.0618","","","","has coordinates","290821","2024-04-04","22:33:41",""
"7132700","10.8048","0.0005","10.1624","0.0005","14.3028","0.0006","90","","110.088","0.002","90","","1474.95","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C68 H68 N4 O12 -","4","1","","Koch, Katelyn N.; Teo, Aaron J.; Wheeler, Kraig A.","Dual space divergence in small molecule quasiracemates: benzoyl leucine and phenylalanine assemblies.","Chemical communications (Cambridge, England)","2024","60","20","2800","2803","10.1039/d3cc06212k","","x-ray","1.54178","CuKα","K-L~3~","0.0341","0.0327","","","0.0795","0.0806","","","","","","1.047","","","","has coordinates","290821","2024-04-04","22:33:42",""
"7132701","8.5014","0.0004","16.7568","0.0008","10.0698","0.0005","90","","105.68","0.003","90","","1381.12","0.12","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Cl N O3 -","- C13 H16 Cl N O3 -","- C52 H64 Cl4 N4 O12 -","4","1","","Koch, Katelyn N.; Teo, Aaron J.; Wheeler, Kraig A.","Dual space divergence in small molecule quasiracemates: benzoyl leucine and phenylalanine assemblies.","Chemical communications (Cambridge, England)","2024","60","20","2800","2803","10.1039/d3cc06212k","","x-ray","1.54178","CuKα","K-L~3~","0.0821","0.0607","","","0.1428","0.157","","","","","","1.065","","","","has coordinates","290821","2024-04-04","22:33:42",""
"7132702","10.9337","0.0003","9.852","0.0003","14.5888","0.0005","90","","111.998","0.002","90","","1457.08","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl N O3 -","- C16 H14 Cl N O3 -","- C64 H56 Cl4 N4 O12 -","4","1","","Koch, Katelyn N.; Teo, Aaron J.; Wheeler, Kraig A.","Dual space divergence in small molecule quasiracemates: benzoyl leucine and phenylalanine assemblies.","Chemical communications (Cambridge, England)","2024","60","20","2800","2803","10.1039/d3cc06212k","","x-ray","1.54178","CuKα","K-L~3~","0.0329","0.0284","","","0.067","0.0695","","","","","","1.059","","","","has coordinates","290821","2024-04-04","22:33:42",""
"7132703","8.5052","0.0003","16.9899","0.0007","10.0551","0.0004","90","","107.507","0.002","90","","1385.69","0.09","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H35 Cl N2 O6 -","- C27 H35 Cl N2 O6 -","- C54 H70 Cl2 N4 O12 -","2","1","","Koch, Katelyn N.; Teo, Aaron J.; Wheeler, Kraig A.","Dual space divergence in small molecule quasiracemates: benzoyl leucine and phenylalanine assemblies.","Chemical communications (Cambridge, England)","2024","60","20","2800","2803","10.1039/d3cc06212k","","x-ray","1.54178","CuKα","K-L~3~","0.0373","0.0354","","","0.0938","0.0955","","","","","","1.046","","","","has coordinates","290821","2024-04-04","22:33:42",""
"7132704","10.7599","0.0005","9.7943","0.0005","14.5273","0.0006","90","","111.649","0.003","90","","1422.98","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H33 Cl N2 O6 -","- C30 H33 Cl N2 O6 -","- C60 H66 Cl2 N4 O12 -","2","1","","Koch, Katelyn N.; Teo, Aaron J.; Wheeler, Kraig A.","Dual space divergence in small molecule quasiracemates: benzoyl leucine and phenylalanine assemblies.","Chemical communications (Cambridge, England)","2024","60","20","2800","2803","10.1039/d3cc06212k","","x-ray","1.54178","CuKα","K-L~3~","0.0465","0.038","","","0.0798","0.0835","","","","","","1.05","","","","has coordinates","290821","2024-04-04","22:33:42",""
"7132705","10.7438","0.0004","9.7103","0.0003","14.4644","0.0005","90","","110.923","0.002","90","","1409.5","0.09","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H30 Cl2 N2 O6 -","- C29 H30 Cl2 N2 O6 -","- C58 H60 Cl4 N4 O12 -","2","1","","Koch, Katelyn N.; Teo, Aaron J.; Wheeler, Kraig A.","Dual space divergence in small molecule quasiracemates: benzoyl leucine and phenylalanine assemblies.","Chemical communications (Cambridge, England)","2024","60","20","2800","2803","10.1039/d3cc06212k","","x-ray","1.54178","CuKα","K-L~3~","0.0315","0.0278","","","0.0638","0.0658","","","","","","1.04","","","","has coordinates","290821","2024-04-04","22:33:42",""
"7132706","11.2259","0.0005","9.0079","0.0004","14.0101","0.0006","90","","107.097","0.001","90","","1354.12","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","1","","Koch, Katelyn N.; Teo, Aaron J.; Wheeler, Kraig A.","Dual space divergence in small molecule quasiracemates: benzoyl leucine and phenylalanine assemblies.","Chemical communications (Cambridge, England)","2024","60","20","2800","2803","10.1039/d3cc06212k","","x-ray","1.54178","CuKα","K-L~3~","0.0324","0.0321","","","0.0792","0.0794","","","","","","1.037","","","","has coordinates","290821","2024-04-04","22:33:42",""
"7132707","10.6827","0.0008","9.9438","0.0008","14.441","0.0011","90","","110.66","0.003","90","","1435.37","0.19","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H36 N2 O6 -","- C31 H36 N2 O6 -","- C62 H72 N4 O12 -","2","1","","Koch, Katelyn N.; Teo, Aaron J.; Wheeler, Kraig A.","Dual space divergence in small molecule quasiracemates: benzoyl leucine and phenylalanine assemblies.","Chemical communications (Cambridge, England)","2024","60","20","2800","2803","10.1039/d3cc06212k","","x-ray","1.54178","CuKα","K-L~3~","0.0378","0.0364","","","0.0988","0.1003","","","","","","1.053","","","","has coordinates","290821","2024-04-04","22:33:42",""
"7132708","10.8824","0.0006","10.0217","0.0006","14.4325","0.0008","90","","111.003","0.002","90","","1469.44","0.15","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H31 Cl N2 O6 -","- C33 H31 Cl N2 O6 -","- C66 H62 Cl2 N4 O12 -","2","1","","Koch, Katelyn N.; Teo, Aaron J.; Wheeler, Kraig A.","Dual space divergence in small molecule quasiracemates: benzoyl leucine and phenylalanine assemblies.","Chemical communications (Cambridge, England)","2024","60","20","2800","2803","10.1039/d3cc06212k","","x-ray","1.54178","CuKα","K-L~3~","0.0363","0.0359","","","0.0961","0.0964","","","","","","1.069","","","","has coordinates","290821","2024-04-04","22:33:42",""
"7132709","10.7023","0.0004","9.0828","0.0003","13.337","0.0005","90","","103.692","0.002","90","","1259.61","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O3 -","- C13 H17 N O3 -","- C52 H68 N4 O12 -","4","1","","Koch, Katelyn N.; Teo, Aaron J.; Wheeler, Kraig A.","Dual space divergence in small molecule quasiracemates: benzoyl leucine and phenylalanine assemblies.","Chemical communications (Cambridge, England)","2024","60","20","2800","2803","10.1039/d3cc06212k","","x-ray","1.54178","CuKα","K-L~3~","0.0388","0.0356","","","0.0892","0.0921","","","","","","1.045","","","","has coordinates","290821","2024-04-04","22:33:42",""
"7132710","10.7094","0.0003","9.8205","0.0003","14.5002","0.0004","90","","111.286","0.001","90","","1420.97","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H33 Cl N2 O6 -","- C30 H33 Cl N2 O6 -","- C60 H66 Cl2 N4 O12 -","2","1","","Koch, Katelyn N.; Teo, Aaron J.; Wheeler, Kraig A.","Dual space divergence in small molecule quasiracemates: benzoyl leucine and phenylalanine assemblies.","Chemical communications (Cambridge, England)","2024","60","20","2800","2803","10.1039/d3cc06212k","","x-ray","1.54178","CuKα","K-L~3~","0.0305","0.0282","","","0.0693","0.0706","","","","","","1.048","","","","has coordinates","290821","2024-04-04","22:33:42",""
"7132711","13.8243","0.0008","9.1832","0.0005","13.8585","0.0008","90","","117.871","0.003","90","","1555.27","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H30 F6 N2 O6 -","- C31 H30 F6 N2 O6 -","- C62 H60 F12 N4 O12 -","2","1","","Koch, Katelyn N.; Teo, Aaron J.; Wheeler, Kraig A.","Dual space divergence in small molecule quasiracemates: benzoyl leucine and phenylalanine assemblies.","Chemical communications (Cambridge, England)","2024","60","20","2800","2803","10.1039/d3cc06212k","","x-ray","1.54178","CuKα","K-L~3~","0.0599","0.0511","","","0.1242","0.1321","","","","","","1.04","","","","has coordinates,has disorder","290821","2024-04-04","22:33:42",""
"7132712","12.9498","0.0011","9.6063","0.0008","13.1925","0.0011","90","","117.118","0.003","90","","1460.7","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H29 F3 N2 O6 -","- C33 H29 F3 N2 O6 -","- C66 H58 F6 N4 O12 -","2","1","","Koch, Katelyn N.; Teo, Aaron J.; Wheeler, Kraig A.","Dual space divergence in small molecule quasiracemates: benzoyl leucine and phenylalanine assemblies.","Chemical communications (Cambridge, England)","2024","60","20","2800","2803","10.1039/d3cc06212k","","x-ray","1.54178","CuKα","K-L~3~","0.0273","0.0261","","","0.066","0.0671","","","","","","1.092","","","","has coordinates","290821","2024-04-04","22:33:42",""
"7132713","10.9173","0.0007","9.1344","0.0006","14.1599","0.001","90","","108.014","0.002","90","","1342.85","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H32 N2 O6 -","- C29 H32 N2 O6 -","- C58 H64 N4 O12 -","2","1","","Koch, Katelyn N.; Teo, Aaron J.; Wheeler, Kraig A.","Dual space divergence in small molecule quasiracemates: benzoyl leucine and phenylalanine assemblies.","Chemical communications (Cambridge, England)","2024","60","20","2800","2803","10.1039/d3cc06212k","","x-ray","1.54178","CuKα","K-L~3~","0.0286","0.0283","","","0.0775","0.078","","","","","","1.026","","","","has coordinates,has disorder","290821","2024-04-04","22:33:42",""
"7132714","11.4316","0.0008","9.5763","0.0006","14.2272","0.001","90","","111.456","0.003","90","","1449.55","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H31 F3 N2 O6 -","- C30 H31 F2.9997 N2 O6 -","- C60 H62 F5.9994 N4 O12 -","2","1","","Koch, Katelyn N.; Teo, Aaron J.; Wheeler, Kraig A.","Dual space divergence in small molecule quasiracemates: benzoyl leucine and phenylalanine assemblies.","Chemical communications (Cambridge, England)","2024","60","20","2800","2803","10.1039/d3cc06212k","","x-ray","1.54178","CuKα","K-L~3~","0.0493","0.0479","","","0.1206","0.1221","","","","","","1.063","","","","has coordinates,has disorder","290821","2024-04-04","22:33:42",""
"7132715","8.966","0.0004","17.0296","0.0007","10.0714","0.0004","90","","107.371","0.002","90","","1467.64","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 F3 N O3 -","- C14 H16 F3 N O3 -","- C56 H64 F12 N4 O12 -","4","1","","Koch, Katelyn N.; Teo, Aaron J.; Wheeler, Kraig A.","Dual space divergence in small molecule quasiracemates: benzoyl leucine and phenylalanine assemblies.","Chemical communications (Cambridge, England)","2024","60","20","2800","2803","10.1039/d3cc06212k","","x-ray","1.54178","CuKα","K-L~3~","0.0704","0.06","","","0.1164","0.1227","","","","","","1.155","","","","has coordinates,has disorder","290821","2024-04-04","22:33:42",""
"7132716","22.6518","0.0005","22.6518","0.0005","75.9558","0.0019","90","","90","","120","","33751.8","1.4","150","","150","","","","","","","","","9","P 31 2 1","P 31 2""","152","","","","- C20 H38 K16 N2 Na10.5 O218 P7 W39 Zr3 -","- C20 H24 K16 N2 Na10.5 O211 P7 W39 Zr3 -","- C120 H144 K96 N12 Na63 O1266 P42 W234 Zr18 -","6","1","","Yang, Dongsheng; Liu, Lihua; Zhang, Yunfan; Zhang, Miao; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","A wheel-shaped Zr-substituted phosphotungstate [{Zr(C<sub>2</sub>O<sub>4</sub>)<sub>2</sub>}<sub>3</sub> (PO<sub>4</sub>)(P<sub>6</sub>W<sub>39</sub>O<sub>150</sub>)]<sup>39-</sup> with tunable proton conduction properties.","Chemical communications (Cambridge, England)","2024","60","22","3043","3046","10.1039/d4cc00216d","","","0.71073","MoKα","","0.0419","0.0399","","","0.0907","0.0916","","","","","","1.138","","","","has coordinates","290815","2024-04-04","22:29:40",""
"7132717","9.909","0.003","10.674","0.003","14.833","0.005","90","","104.484","0.01","90","","1519","0.8","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2","","- C20 H48 N10 P2 U -","- C20 H48 N10 P2 U -","- C40 H96 N20 P4 U2 -","2","0.5","","Li, Kai; Rajeshkumar, Thayalan; Zhao, Yue; Wang, Tianwei; Maron, Laurent; Zhu, Congqing","Temperature induced single-crystal to single-crystal transformation of uranium azide complexes.","Chemical communications (Cambridge, England)","2024","60","21","2966","2969","10.1039/d4cc00546e","","","0.71073","MoKα","","0.0256","0.017","","","0.0369","0.0388","","","","","","1.062","","","","has coordinates","290831","2024-04-04","22:37:50",""
"7132718","10.769","0.003","13.579","0.003","20.817","0.005","82.853","0.006","79.684","0.006","69.571","0.005","2800.2","1.2","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","4","","- C40 H98 N10 P4 U2 -","- C40 H96 N10 P4 U2 -","- C80 H192 N20 P8 U4 -","2","1","","Li, Kai; Rajeshkumar, Thayalan; Zhao, Yue; Wang, Tianwei; Maron, Laurent; Zhu, Congqing","Temperature induced single-crystal to single-crystal transformation of uranium azide complexes.","Chemical communications (Cambridge, England)","2024","60","21","2966","2969","10.1039/d4cc00546e","","","0.71073","MoKα","","0.0951","0.0526","","","0.1062","0.121","","","","","","1.032","","","","has coordinates","290831","2024-04-04","22:37:50",""
"7132719","10.5753","0.0013","27.797","0.003","10.3786","0.0013","90","","90","","90","","3050.9","0.6","193","","193","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","3","","- C40 H96 N20 P4 U2 -","- C40 H96 N20 P4 U2 -","- C80 H192 N40 P8 U4 -","2","0.5","","Li, Kai; Rajeshkumar, Thayalan; Zhao, Yue; Wang, Tianwei; Maron, Laurent; Zhu, Congqing","Temperature induced single-crystal to single-crystal transformation of uranium azide complexes.","Chemical communications (Cambridge, England)","2024","60","21","2966","2969","10.1039/d4cc00546e","","","0.71073","MoKα","","0.0689","0.0467","","","0.086","0.0958","","","","","","1.015","","","","has coordinates","290831","2024-04-04","22:37:50",""
"7132720","25.24","0.004","10.392","0.002","25.465","0.005","90","","110.915","0.006","90","","6239","2","313","","313","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H96 N20 P4 U2 -","- C40 H96 N20 P4 U2 -","- C160 H384 N80 P16 U8 -","4","0.5","","Li, Kai; Rajeshkumar, Thayalan; Zhao, Yue; Wang, Tianwei; Maron, Laurent; Zhu, Congqing","Temperature induced single-crystal to single-crystal transformation of uranium azide complexes.","Chemical communications (Cambridge, England)","2024","60","21","2966","2969","10.1039/d4cc00546e","","","0.71073","MoKα","","0.1364","0.0558","","","0.098","0.1252","","","","","","1.026","","","","has coordinates,has disorder","290831","2024-04-04","22:37:50",""
"7132721","25.206","0.006","10.392","0.002","25.457","0.006","90","","110.647","0.007","90","","6240","2","323","","323","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H96 N20 P4 U2 -","- C40 H96 N20 P4 U2 -","- C160 H384 N80 P16 U8 -","4","0.5","","Li, Kai; Rajeshkumar, Thayalan; Zhao, Yue; Wang, Tianwei; Maron, Laurent; Zhu, Congqing","Temperature induced single-crystal to single-crystal transformation of uranium azide complexes.","Chemical communications (Cambridge, England)","2024","60","21","2966","2969","10.1039/d4cc00546e","","","0.71073","MoKα","","0.1156","0.053","","","0.091","0.1131","","","","","","1.008","","","","has coordinates,has disorder","290831","2024-04-04","22:37:50",""
"7132722","25.309","0.002","10.4218","0.0008","25.538","0.002","90","","110.799","0.003","90","","6297.1","0.9","343","","343","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H48 N10 P2 U -","- C20 H48 N10 P2 U -","- C160 H384 N80 P16 U8 -","8","1","","Li, Kai; Rajeshkumar, Thayalan; Zhao, Yue; Wang, Tianwei; Maron, Laurent; Zhu, Congqing","Temperature induced single-crystal to single-crystal transformation of uranium azide complexes.","Chemical communications (Cambridge, England)","2024","60","21","2966","2969","10.1039/d4cc00546e","","","0.71073","MoKα","","0.1613","0.0729","","","0.0991","0.1281","","","","","","1.055","","","","has coordinates,has disorder","290831","2024-04-04","22:37:50",""
"7132723","25.279","0.002","10.4213","0.001","25.477","0.003","90","","110.786","0.003","90","","6274.8","1.1","333","","333","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H96 N20 P4 U2 -","- C40 H96 N20 P4 U2 -","- C160 H384 N80 P16 U8 -","4","0.5","","Li, Kai; Rajeshkumar, Thayalan; Zhao, Yue; Wang, Tianwei; Maron, Laurent; Zhu, Congqing","Temperature induced single-crystal to single-crystal transformation of uranium azide complexes.","Chemical communications (Cambridge, England)","2024","60","21","2966","2969","10.1039/d4cc00546e","","","0.71073","MoKα","","0.0924","0.0453","","","0.093","0.1133","","","","","","1.012","","","","has coordinates,has disorder","290831","2024-04-04","22:37:50",""
"7132724","10.5761","0.0006","27.7942","0.0016","10.3688","0.0006","90","","90","","90","","3048","0.3","193","","193","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","2","","- C40 H96 N20 P4 U2 -","- C40 H96 N20 P4 U2 -","- C80 H192 N40 P8 U4 -","2","0.5","","Li, Kai; Rajeshkumar, Thayalan; Zhao, Yue; Wang, Tianwei; Maron, Laurent; Zhu, Congqing","Temperature induced single-crystal to single-crystal transformation of uranium azide complexes.","Chemical communications (Cambridge, England)","2024","60","21","2966","2969","10.1039/d4cc00546e","","","0.71073","MoKα","","0.0207","0.0185","","","0.0397","0.0406","","","","","","0.895","","","","has coordinates","290831","2024-04-04","22:37:50",""
"7132725","24.9458","0.0011","10.2858","0.0005","25.3172","0.0012","90","","111.158","0.001","90","","6058.2","0.5","193","","193","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C80 H192 N40 P8 U4 -","- C80 H192 N40 P8 U4 -","- C160 H384 N80 P16 U8 -","2","0.5","","Li, Kai; Rajeshkumar, Thayalan; Zhao, Yue; Wang, Tianwei; Maron, Laurent; Zhu, Congqing","Temperature induced single-crystal to single-crystal transformation of uranium azide complexes.","Chemical communications (Cambridge, England)","2024","60","21","2966","2969","10.1039/d4cc00546e","","","0.71073","MoKα","","0.0905","0.0491","","","0.0912","0.1071","","","","","","1.022","","","","has coordinates,has disorder","290831","2024-04-04","22:37:50",""
"7132726","10.1931","0.0014","10.6719","0.001","14.9477","0.0017","90","","102.736","0.004","90","","1586","0.3","353","","353","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H48 N10 P2 U -","- C20 H48 N10 P2 U -","- C40 H96 N20 P4 U2 -","2","0.5","","Li, Kai; Rajeshkumar, Thayalan; Zhao, Yue; Wang, Tianwei; Maron, Laurent; Zhu, Congqing","Temperature induced single-crystal to single-crystal transformation of uranium azide complexes.","Chemical communications (Cambridge, England)","2024","60","21","2966","2969","10.1039/d4cc00546e","","","0.71073","MoKα","","0.1059","0.0455","","","0.1032","0.127","","","","","","0.906","","","","has coordinates","290831","2024-04-04","22:37:50",""
"7132727","9.8845","0.0005","10.6539","0.0006","14.7678","0.0009","90","","104.838","0.002","90","","1503.32","0.15","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5","","- C20 H48 N10 P2 U -","- C20 H48 N10 P2 U -","- C40 H96 N20 P4 U2 -","2","0.5","","Li, Kai; Rajeshkumar, Thayalan; Zhao, Yue; Wang, Tianwei; Maron, Laurent; Zhu, Congqing","Temperature induced single-crystal to single-crystal transformation of uranium azide complexes.","Chemical communications (Cambridge, England)","2024","60","21","2966","2969","10.1039/d4cc00546e","","","0.71073","MoKα","","0.0364","0.0237","","","0.0525","0.0576","","","","","","1.092","","","","has coordinates","290831","2024-04-04","22:37:50",""
"7132728","10.5757","0.0004","27.8005","0.0013","10.3708","0.0004","90","","90","","90","","3049.1","0.2","193","","193","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","3","","- C40 H96 N20 P4 U2 -","- C40 H96 N20 P4 U2 -","- C80 H192 N40 P8 U4 -","2","0.5","","Li, Kai; Rajeshkumar, Thayalan; Zhao, Yue; Wang, Tianwei; Maron, Laurent; Zhu, Congqing","Temperature induced single-crystal to single-crystal transformation of uranium azide complexes.","Chemical communications (Cambridge, England)","2024","60","21","2966","2969","10.1039/d4cc00546e","","","0.71073","MoKα","","0.0324","0.0267","","","0.0503","0.0524","","","","","","0.97","","","","has coordinates","290831","2024-04-04","22:37:50",""
"7132729","24.9421","0.0016","10.2665","0.0007","25.3542","0.0019","90","","111.169","0.002","90","","6054.3","0.7","193","","193","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C20 H48 N10 P2 U -","- C20 H48 N10 P2 U -","- C160 H384 N80 P16 U8 -","8","2","","Li, Kai; Rajeshkumar, Thayalan; Zhao, Yue; Wang, Tianwei; Maron, Laurent; Zhu, Congqing","Temperature induced single-crystal to single-crystal transformation of uranium azide complexes.","Chemical communications (Cambridge, England)","2024","60","21","2966","2969","10.1039/d4cc00546e","","","0.71073","MoKα","","0.1098","0.0607","","","0.132","0.1579","","","","","","1.033","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7132730","10.7059","0.0004","14.2716","0.0004","10.8582","0.0003","90","","101.977","0.001","90","","1622.91","0.09","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H14 Cl2 N2 O2 Sn -","- C16 H14 Cl2 N2 O2 Sn -","- C64 H56 Cl8 N8 O8 Sn4 -","4","1","","Žáková, Andrea; Saha, Pritha; Paparakis, Alexandros; Zábranský, Martin; Gastelu, Gabriela; Kukla, Jaroslav; Uranga, Jorge G.; Hulla, Martin","Hexacoordinated tin complexes catalyse imine hydrogenation with H<sub>2</sub>.","Chemical communications (Cambridge, England)","2024","60","24","3287","3290","10.1039/d3cc05878f","","","0.71073","MoKα","","0.0148","0.0147","","","0.0309","0.0309","","","","","","1.071","","","","has coordinates","290809","2024-04-04","22:27:37",""
"7132731","9.2148","0.0004","13.8751","0.0007","16.7722","0.0008","74.99","0.002","87.948","0.002","80.579","0.002","2043.28","0.17","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C51 H40 B Cl4 N O -","- C51 H40 B Cl4 N O -","- C102 H80 B2 Cl8 N2 O2 -","2","1","","Huang, Yong; Jia, Mengjiao; Li, Chuan; Yang, Yang; He, Yuling; Luo, Yanju; Huang, Yan; Zhou, Liang; Lu, Zhiyun","A spiroacridine-based thermally activated delayed fluorescence emitter for high-efficiency and narrow-band deep-blue OLEDs.","Chemical communications (Cambridge, England)","2024","60","23","3194","3197","10.1039/d4cc00154k","","","0.71073","MoKα","","0.0869","0.062","","","0.1602","0.1776","","","","","","1.038","","","","has coordinates","290827","2024-04-04","22:35:43",""
"7132732","17.46","0.009","36.131","0.011","18.471","0.006","90","","110.07","0.02","90","","10945","8","170","","170","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C194 H142 Ag14 Cl4 F36 P8 Pd S6 -","- C194 H142 Ag14 Cl4 F36 P8 Pd S6 -","- C388 H284 Ag28 Cl8 F72 P16 Pd2 S12 -","2","0.5","","Ma, Along; Ren, Yonggang; Zuo, Yang; Wang, Jiawei; Huang, Shutong; Ma, Xiaoshuang; Wang, Shuxin","Ligand-controlled exposure of active sites on the Pd<sub>1</sub>Ag<sub>14</sub> nanocluster surface to boost electrocatalytic CO<sub>2</sub> reduction.","Chemical communications (Cambridge, England)","2024","60","23","3162","3165","10.1039/d4cc00152d","","","0.71073","MoKα","","0.1238","0.0931","","","0.1956","0.2074","","","","","","1.073","","","","has coordinates","290828","2024-04-04","22:36:10",""
"7132733","19.457","0.014","20.805","0.015","27.84","0.019","82.006","0.016","74.854","0.018","84.149","0.017","10747","13","170","","170","","","","","","","","","7","P -1","-P 1","2","","","","- C183 H171 Ag14 O21 P7 Pd S6 -","- C183 H177 Ag14 O21 P7 Pd S6 -","- C366 H354 Ag28 O42 P14 Pd2 S12 -","2","1","","Ma, Along; Ren, Yonggang; Zuo, Yang; Wang, Jiawei; Huang, Shutong; Ma, Xiaoshuang; Wang, Shuxin","Ligand-controlled exposure of active sites on the Pd<sub>1</sub>Ag<sub>14</sub> nanocluster surface to boost electrocatalytic CO<sub>2</sub> reduction.","Chemical communications (Cambridge, England)","2024","60","23","3162","3165","10.1039/d4cc00152d","","","0.71073","MoKα","","0.175","0.1038","","","0.3052","0.3469","","","","","","1.012","","","","has coordinates,has disorder","290828","2024-04-04","22:36:10",""
"7132734","7.2004","0.0003","6.8661","0.0003","16.0022","0.0006","90","","100.88","0.004","90","","776.91","0.06","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 Br O3 -","- C18 H15 Br O3 -","- C36 H30 Br2 O6 -","2","1","","Sarkar, Rahul; Korell, Alexander; Schneider, Christoph","Organocatalytic enantioselective oxa-Piancatelli rearrangement.","Chemical communications (Cambridge, England)","2024","60","22","3063","3066","10.1039/d4cc00708e","","","0.71073","MoKα","","0.0528","0.0409","","","0.0727","0.0792","","","","","","1.046","","","","has coordinates","291505","2024-05-05","00:44:23",""
"7132735","24.571","0.005","14.09","0.003","20.038","0.004","90","","122.893","0.005","90","","5825","2","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H58 Hg O P4 S2 -","- C66 H58 Hg O P4 S2 -","- C264 H232 Hg4 O4 P16 S8 -","4","0.5","","Jörges, Mike; Gremillion, Alexander J.; Knyszek, Daniel; Kelley, Steven P.; Walensky, Justin R.; Gessner, Viktoria H.","From a mercury(II) bis(yldiide) complex to actinide yldiides.","Chemical communications (Cambridge, England)","2024","60","23","3190","3193","10.1039/d3cc05553a","","","0.71073","MoKα","","0.119","0.0923","","","0.2182","0.2381","","","","","","1.183","","","","has coordinates","290825","2024-04-04","22:35:17",""
"7132736","9.72967","0.00004","15.22975","0.00006","16.93649","0.00008","90","","91.2641","0.0004","90","","2509.05","0.019","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 P2 S -","- C31 H26 P2 S -","- C124 H104 P8 S4 -","4","1","","Jörges, Mike; Gremillion, Alexander J.; Knyszek, Daniel; Kelley, Steven P.; Walensky, Justin R.; Gessner, Viktoria H.","From a mercury(II) bis(yldiide) complex to actinide yldiides.","Chemical communications (Cambridge, England)","2024","60","23","3190","3193","10.1039/d3cc05553a","","x-ray","1.54184","CuKα","","0.0312","0.0306","","","0.0785","0.079","","","","","","1.061","","","","has coordinates","290825","2024-04-04","22:35:17",""
"7132737","12.0774","0.0007","14.1627","0.0007","14.3748","0.0008","94.016","0.002","90.702","0.002","93.297","0.002","2448.4","0.2","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H63 Cl P2 S U -","- C58 H63 Cl P2 S U -","- C116 H126 Cl2 P4 S2 U2 -","2","1","","Jörges, Mike; Gremillion, Alexander J.; Knyszek, Daniel; Kelley, Steven P.; Walensky, Justin R.; Gessner, Viktoria H.","From a mercury(II) bis(yldiide) complex to actinide yldiides.","Chemical communications (Cambridge, England)","2024","60","23","3190","3193","10.1039/d3cc05553a","","","0.71073","MoKα","","0.0439","0.0341","","","0.0635","0.0661","","","","","","1.033","","","","has coordinates","290825","2024-04-04","22:35:17",""
"7132738","9.4692","0.0001","10.8945","0.0001","21.4146","0.0003","77.036","0.001","83.374","0.001","73.667","0.001","2062.75","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H49 K O6 P2 S -","- C43 H49 K O6 P2 S -","- C86 H98 K2 O12 P4 S2 -","2","1","","Jörges, Mike; Gremillion, Alexander J.; Knyszek, Daniel; Kelley, Steven P.; Walensky, Justin R.; Gessner, Viktoria H.","From a mercury(II) bis(yldiide) complex to actinide yldiides.","Chemical communications (Cambridge, England)","2024","60","23","3190","3193","10.1039/d3cc05553a","","x-ray","1.54184","CuKα","","0.0864","0.0753","","","0.1355","0.1403","","","","","","1.05","","","","has coordinates,has disorder","290825","2024-04-04","22:35:17",""
"7132739","12.1389","0.0003","14.1799","0.0004","14.3984","0.0004","94.193","0.001","90.436","0.001","93.016","0.001","2468.15","0.12","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H63 Cl P2 S Th -","- C58 H63 Cl P2 S Th -","- C116 H126 Cl2 P4 S2 Th2 -","2","1","","Jörges, Mike; Gremillion, Alexander J.; Knyszek, Daniel; Kelley, Steven P.; Walensky, Justin R.; Gessner, Viktoria H.","From a mercury(II) bis(yldiide) complex to actinide yldiides.","Chemical communications (Cambridge, England)","2024","60","23","3190","3193","10.1039/d3cc05553a","","","0.71073","MoKα","","0.0239","0.0193","","","0.0393","0.0414","","","","","","1.09","","","","has coordinates","290825","2024-04-04","22:35:17",""
"7132740","8.637","0.003","13.293","0.004","29.631","0.008","90","","96.679","0.009","90","","3378.9","1.8","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 O -","- C19 H20 N2 O -","- C152 H160 N16 O8 -","8","2","","Zhang, Min; Zheng, Yongpeng; Jin, Yangbin; Jiang, Huanfeng; Wu, Wanqing","Palladium-catalyzed ligand-regulated divergent synthesis of pyrrole[2,3-<i>b</i>]indoles and ureas from 2-ethynylanilines and isocyanides.","Chemical communications (Cambridge, England)","2024","60","21","2950","2953","10.1039/d3cc05387c","","","0.71073","MoKα","","0.1894","0.0726","","","0.1353","0.184","","","","","","1.018","","","","has coordinates","290829","2024-04-04","22:36:30",""
"7132741","15.2301","0.0004","10.2357","0.0003","28.4109","0.0008","90","","95.828","0.001","90","","4406.1","0.2","170","","170","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 N4 -","- C26 H28 N4 -","- C208 H224 N32 -","8","1","","Zhang, Min; Zheng, Yongpeng; Jin, Yangbin; Jiang, Huanfeng; Wu, Wanqing","Palladium-catalyzed ligand-regulated divergent synthesis of pyrrole[2,3-<i>b</i>]indoles and ureas from 2-ethynylanilines and isocyanides.","Chemical communications (Cambridge, England)","2024","60","21","2950","2953","10.1039/d3cc05387c","","","0.71073","MoKα","","0.0576","0.041","","","0.0941","0.1071","","","","","","0.959","","","","has coordinates","290829","2024-04-04","22:36:30",""
"7132742","8.4898","0.0001","11.7179","0.0002","16.2792","0.0002","90.732","0.001","99.945","0.001","95.106","0.001","1588.18","0.04","293","","293","","","","","","","","","5","P -1","-P 1","2","","(4-(diphenylamino)pyridin-1-ium)trifluoroborate","","- C17 H14 B F3 N2 -","- C17 H14 B F3 N2 -","- C68 H56 B4 F12 N8 -","4","2","","McDonald, Peter W.; Ritchie, Chris","A multi-chromic boron trifluoride-pyridyl Lewis adduct.","Chemical communications (Cambridge, England)","2024","60","22","3051","3054","10.1039/d3cc05996k","","x-ray","1.54184","CuKα","","0.0633","0.0501","","","0.1129","0.1198","","","","","","0.929","","","","has coordinates","295862","2024-11-09","12:08:12",""
"7132743","10.3062","0.0001","7.7018","0.0001","10.3247","0.0001","90","","101.056","0.001","90","","804.326","0.015","123.01","0.1","123.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","4-(diphenylamino)pyridin-1-ium tetrafluoroborate","","- C17 H15 B F4 N2 -","- C17 H15 B F4 N2 -","- C34 H30 B2 F8 N4 -","2","1","","McDonald, Peter W.; Ritchie, Chris","A multi-chromic boron trifluoride-pyridyl Lewis adduct.","Chemical communications (Cambridge, England)","2024","60","22","3051","3054","10.1039/d3cc05996k","","x-ray","1.54184","CuKα","","0.0328","0.032","","","0.0831","0.0838","","","","","","1.067","","","","has coordinates","291501","2024-05-05","00:40:37",""
"7132744","8.359","0.0002","11.6452","0.0002","16.1214","0.0003","90.762","0.002","100.271","0.002","94.709","0.002","1538.31","0.05","123","0.1","123","0.1","","","","","","","","5","P -1","-P 1","2","","(4-(diphenylamino)pyridin-1-ium)trifluoroborate","","- C17 H14 B F3 N2 -","- C17 H14 B F3 N2 -","- C68 H56 B4 F12 N8 -","4","2","","McDonald, Peter W.; Ritchie, Chris","A multi-chromic boron trifluoride-pyridyl Lewis adduct.","Chemical communications (Cambridge, England)","2024","60","22","3051","3054","10.1039/d3cc05996k","","x-ray","1.54184","CuKα","","0.0399","0.0357","","","0.0891","0.0918","","","","","","0.975","","","","has coordinates","295862","2024-11-09","12:08:12",""
"7132745","8.2526","0.0002","6.5427","0.00017","19.313","0.005","90","","90","","90","","1042.8","0.3","300","","300","","","","","","","","","5","P c c a","-P 2a 2ac","54","Guanadinium Erbium(III) Formate Oxalate","06_GUA04","","- C5 H8 Er N3 O8 -","- C5 H8 Er N3 O8 -","- C20 H32 Er4 N12 O32 -","4","0.5","","Hitchings, Thomas J.; Scatena, Rebecca; Allan, David R.; Cairns, Andrew B.; Saines, Paul J.","Negative linear compressibility exhibited by the hybrid perovskite [(NH<sub>2</sub>)<sub>3</sub>C]Er(HCO<sub>2</sub>)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>).","Chemical communications (Cambridge, England)","2024","60","24","3271","3274","10.1039/d3cc06208b","","","0.4859","Synchrotron","","0.034","0.0223","","","0.0662","0.0693","","","","","","1.093","","","","has coordinates","290812","2024-04-04","22:28:31",""
"7132746","8.1956","0.0002","6.534","0.00018","19.322","0.005","90","","90","","90","","1034.7","0.3","300","","300","","","","","","","","","5","P c c a","-P 2a 2ac","54","Guanadinium Erbium(III) Formate Oxalate","07_GUA04","","- C5 H8 Er N3 O8 -","- C5 H8 Er N3 O8 -","- C20 H32 Er4 N12 O32 -","4","0.5","","Hitchings, Thomas J.; Scatena, Rebecca; Allan, David R.; Cairns, Andrew B.; Saines, Paul J.","Negative linear compressibility exhibited by the hybrid perovskite [(NH<sub>2</sub>)<sub>3</sub>C]Er(HCO<sub>2</sub>)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>).","Chemical communications (Cambridge, England)","2024","60","24","3271","3274","10.1039/d3cc06208b","","","0.4859","Synchrotron","","0.0438","0.0279","","","0.0811","0.0865","","","","","","1.103","","","","has coordinates","290812","2024-04-04","22:28:32",""
"7132747","8.4551","0.00013","6.584","0.00007","19.2134","0.0018","90","","90","","90","","1069.58","0.1","300","","300","","","","","","","","","5","P c c a","-P 2a 2ac","54","Guanadinium Erbium(III) Formate Oxalate","12_GUA03","","- C5 H8 Er N3 O8 -","- C5 H8 Er N3 O8 -","- C20 H32 Er4 N12 O32 -","4","0.5","","Hitchings, Thomas J.; Scatena, Rebecca; Allan, David R.; Cairns, Andrew B.; Saines, Paul J.","Negative linear compressibility exhibited by the hybrid perovskite [(NH<sub>2</sub>)<sub>3</sub>C]Er(HCO<sub>2</sub>)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>).","Chemical communications (Cambridge, England)","2024","60","24","3271","3274","10.1039/d3cc06208b","","","0.4859","Synchrotron","","0.0274","0.018","","","0.0514","0.0528","","","","","","1.076","","","","has coordinates","290812","2024-04-04","22:28:32",""
"7132748","7.8462","0.0014","6.5142","0.0011","19.58","0.02","90","","90","","90","","1000.8","1.1","300","","300","","","","","","","","","5","P c c a","-P 2a 2ac","54","Guanadinium Erbium(III) Formate Oxalate","32_GUA03","","- C5 H8 Er N3 O8 -","- C5 H8 Er N3 O8 -","- C20 H32 Er4 N12 O32 -","4","0.5","","Hitchings, Thomas J.; Scatena, Rebecca; Allan, David R.; Cairns, Andrew B.; Saines, Paul J.","Negative linear compressibility exhibited by the hybrid perovskite [(NH<sub>2</sub>)<sub>3</sub>C]Er(HCO<sub>2</sub>)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>).","Chemical communications (Cambridge, England)","2024","60","24","3271","3274","10.1039/d3cc06208b","","","0.4859","Synchrotron","","0.0714","0.0424","","","0.1007","0.1058","","","","","","0.827","","","","has coordinates","290812","2024-04-04","22:28:32",""
"7132749","8.3154","0.0002","6.549","0.00009","19.234","0.003","90","","90","","90","","1047.44","0.17","300","","300","","","","","","","","","5","P c c a","-P 2a 2ac","54","Guanadinium Erbium(III) Formate Oxalate","30_GUA03","","- C5 H8 Er N3 O8 -","- C5 H8 Er N3 O8 -","- C20 H32 Er4 N12 O32 -","4","0.5","","Hitchings, Thomas J.; Scatena, Rebecca; Allan, David R.; Cairns, Andrew B.; Saines, Paul J.","Negative linear compressibility exhibited by the hybrid perovskite [(NH<sub>2</sub>)<sub>3</sub>C]Er(HCO<sub>2</sub>)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>).","Chemical communications (Cambridge, England)","2024","60","24","3271","3274","10.1039/d3cc06208b","","","0.4859","Synchrotron","","0.0411","0.0273","","","0.0876","0.0948","","","","","","1.031","","","","has coordinates","290812","2024-04-04","22:28:32",""
"7132750","8.3583","0.00018","6.5585","0.00008","19.218","0.002","90","","90","","90","","1053.49","0.11","300","","300","","","","","","","","","5","P c c a","-P 2a 2ac","54","Guanadinium Erbium(III) Formate Oxalate","24_GUA03","","- C5 H8 Er N3 O8 -","- C5 H8 Er N3 O8 -","- C20 H32 Er4 N12 O32 -","4","0.5","","Hitchings, Thomas J.; Scatena, Rebecca; Allan, David R.; Cairns, Andrew B.; Saines, Paul J.","Negative linear compressibility exhibited by the hybrid perovskite [(NH<sub>2</sub>)<sub>3</sub>C]Er(HCO<sub>2</sub>)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>).","Chemical communications (Cambridge, England)","2024","60","24","3271","3274","10.1039/d3cc06208b","","","0.4859","Synchrotron","","0.037","0.0207","","","0.0578","0.0623","","","","","","1.032","","","","has coordinates","290812","2024-04-04","22:28:32",""
"7132751","7.801","0.002","6.5107","0.0013","19.64","0.02","90","","90","","90","","997.5","1.1","300","","300","","","","","","","","","5","P c c a","-P 2a 2ac","54","Guanadinium Erbium(III) Formate Oxalate","34_GUA03","","- C5 H8 Er N3 O8 -","- C5 H8 Er N3 O8 -","- C20 H32 Er4 N12 O32 -","4","0.5","","Hitchings, Thomas J.; Scatena, Rebecca; Allan, David R.; Cairns, Andrew B.; Saines, Paul J.","Negative linear compressibility exhibited by the hybrid perovskite [(NH<sub>2</sub>)<sub>3</sub>C]Er(HCO<sub>2</sub>)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>).","Chemical communications (Cambridge, England)","2024","60","24","3271","3274","10.1039/d3cc06208b","","","0.4859","Synchrotron","","0.0635","0.042","","","0.0992","0.1038","","","","","","0.772","","","","has coordinates","290812","2024-04-04","22:28:32",""
"7132752","8.4958","0.0001","6.5946","0.0001","19.201","0.002","90","","90","","90","","1075.76","0.11","300","","300","","","","","","","","","5","P c c a","-P 2a 2ac","54","Guanadinium Erbium(III) Formate Oxalate","11_GUA03","","- C5 H8 Er N3 O8 -","- C5 H8 Er N3 O8 -","- C20 H32 Er4 N12 O32 -","4","0.5","","Hitchings, Thomas J.; Scatena, Rebecca; Allan, David R.; Cairns, Andrew B.; Saines, Paul J.","Negative linear compressibility exhibited by the hybrid perovskite [(NH<sub>2</sub>)<sub>3</sub>C]Er(HCO<sub>2</sub>)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>).","Chemical communications (Cambridge, England)","2024","60","24","3271","3274","10.1039/d3cc06208b","","","0.4859","Synchrotron","","0.0348","0.0197","","","0.0498","0.0591","","","","","","1.125","","","","has coordinates","290812","2024-04-04","22:28:32",""
"7132753","7.736","0.008","6.479","0.005","19.71","0.12","90","","90","","90","","988","6","300","","300","","","","","","","","","5","P c c a","-P 2a 2ac","54","Guanadinium Erbium(III) Formate Oxalate","36_GUA03","","- C5 H8 Er N3 O8 -","- C5 H8 Er N3 O8 -","- C20 H32 Er4 N12 O32 -","4","0.5","","Hitchings, Thomas J.; Scatena, Rebecca; Allan, David R.; Cairns, Andrew B.; Saines, Paul J.","Negative linear compressibility exhibited by the hybrid perovskite [(NH<sub>2</sub>)<sub>3</sub>C]Er(HCO<sub>2</sub>)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>).","Chemical communications (Cambridge, England)","2024","60","24","3271","3274","10.1039/d3cc06208b","","","0.4859","Synchrotron","","0.1447","0.1159","","","0.2877","0.31","","","","","","1.113","","","","has coordinates","290812","2024-04-04","22:28:32",""
"7132754","8.4154","0.00018","6.5724","0.00008","19.21","0.002","90","","90","","90","","1062.49","0.11","300","","300","","","","","","","","","5","P c c a","-P 2a 2ac","54","Guanadinium Erbium(III) Formate Oxalate","22_GUA04","","- C5 H8 Er N3 O8 -","- C5 H8 Er N3 O8 -","- C20 H32 Er4 N12 O32 -","4","0.5","","Hitchings, Thomas J.; Scatena, Rebecca; Allan, David R.; Cairns, Andrew B.; Saines, Paul J.","Negative linear compressibility exhibited by the hybrid perovskite [(NH<sub>2</sub>)<sub>3</sub>C]Er(HCO<sub>2</sub>)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>).","Chemical communications (Cambridge, England)","2024","60","24","3271","3274","10.1039/d3cc06208b","","","0.4859","Synchrotron","","0.0341","0.0197","","","0.054","0.0562","","","","","","1.032","","","","has coordinates","290812","2024-04-04","22:28:32",""
"7132755","9.1183","0.0008","8.948","0.005","13.1042","0.0007","90","","96.446","0.005","90","","1062.4","0.6","300","","300","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","Dimethylammonium Erbium(III) Formate Oxalate","16_DMA01","","- C6 H10 Er N O8 -","- C6 H10 Er N O8 -","- C24 H40 Er4 N4 O32 -","4","1","","Hitchings, Thomas J.; Scatena, Rebecca; Allan, David R.; Cairns, Andrew B.; Saines, Paul J.","Negative linear compressibility exhibited by the hybrid perovskite [(NH<sub>2</sub>)<sub>3</sub>C]Er(HCO<sub>2</sub>)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>).","Chemical communications (Cambridge, England)","2024","60","24","3271","3274","10.1039/d3cc06208b","","","0.4859","Synchrotron","","0.0664","0.0519","","","0.154","0.1664","","","","","","0.881","","","","has coordinates","290812","2024-04-04","22:28:32",""
"7132756","9.1326","0.0005","8.974","0.004","13.1405","0.0006","90","","96.41","0.004","90","","1070.2","0.5","300","","300","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","Dimethylammonium Erbium(III) Formate Oxalate","14_DMA01","","- C6 H10 Er N O8 -","- C6 H10 Er N O8 -","- C24 H40 Er4 N4 O32 -","4","1","","Hitchings, Thomas J.; Scatena, Rebecca; Allan, David R.; Cairns, Andrew B.; Saines, Paul J.","Negative linear compressibility exhibited by the hybrid perovskite [(NH<sub>2</sub>)<sub>3</sub>C]Er(HCO<sub>2</sub>)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>).","Chemical communications (Cambridge, England)","2024","60","24","3271","3274","10.1039/d3cc06208b","","","0.4859","Synchrotron","","0.0586","0.045","","","0.1512","0.1563","","","","","","0.996","","","","has coordinates","290812","2024-04-04","22:28:32",""
"7132757","9.1263","0.0006","8.963","0.004","13.1305","0.0007","90","","96.44","0.004","90","","1067.3","0.5","300","","300","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","Dimethylammonium Erbium(III) Formate Oxalate","12_DMA01","","- C6 H10 Er N O8 -","- C6 H10 Er N O8 -","- C24 H40 Er4 N4 O32 -","4","1","","Hitchings, Thomas J.; Scatena, Rebecca; Allan, David R.; Cairns, Andrew B.; Saines, Paul J.","Negative linear compressibility exhibited by the hybrid perovskite [(NH<sub>2</sub>)<sub>3</sub>C]Er(HCO<sub>2</sub>)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>).","Chemical communications (Cambridge, England)","2024","60","24","3271","3274","10.1039/d3cc06208b","","","0.4859","Synchrotron","","0.0534","0.0409","","","0.1414","0.1458","","","","","","1.037","","","","has coordinates","290812","2024-04-04","22:28:32",""
"7132758","9.0759","0.0005","8.863","0.006","6.4822","0.0008","90","","96.228","0.005","90","","518.3","0.4","300","","300","","","","","","","","","5","P 1 2/a 1","-P 2ya","13","Dimethylammonium Erbium(III) Formate Oxalate","22_DMA01","","- C6 H10 Er N O8 -","- C6 H10 Er N O8 -","- C12 H20 Er2 N2 O16 -","2","0.5","","Hitchings, Thomas J.; Scatena, Rebecca; Allan, David R.; Cairns, Andrew B.; Saines, Paul J.","Negative linear compressibility exhibited by the hybrid perovskite [(NH<sub>2</sub>)<sub>3</sub>C]Er(HCO<sub>2</sub>)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>).","Chemical communications (Cambridge, England)","2024","60","24","3271","3274","10.1039/d3cc06208b","","","0.4859","Synchrotron","","0.0625","0.0567","","","0.1669","0.1769","","","","","","1.134","","","","has coordinates","290812","2024-04-04","22:28:32",""
"7132759","9.0907","0.0008","8.903","0.006","6.5091","0.0005","90","","96.38","0.006","90","","523.5","0.4","300","","300","","","","","","","","","5","P 1 2/a 1","-P 2ya","13","Dimethylammonium Erbium(III) Formate Oxalate","20_DMA01","","- C6 H10 Er N O8 -","- C6 H10 Er N O8 -","- C12 H20 Er2 N2 O16 -","2","0.5","","Hitchings, Thomas J.; Scatena, Rebecca; Allan, David R.; Cairns, Andrew B.; Saines, Paul J.","Negative linear compressibility exhibited by the hybrid perovskite [(NH<sub>2</sub>)<sub>3</sub>C]Er(HCO<sub>2</sub>)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>).","Chemical communications (Cambridge, England)","2024","60","24","3271","3274","10.1039/d3cc06208b","","","0.4859","Synchrotron","","0.0581","0.0515","","","0.1544","0.1615","","","","","","1.178","","","","has coordinates","290812","2024-04-04","22:28:32",""
"7132760","9.1539","0.0003","8.9987","0.0019","13.1797","0.0002","90","","96.604","0.002","90","","1078.5","0.2","300","","300","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","Dimethylammonium Erbium(III) Formate Oxalate","08_DMA01","","- C6 H10 Er N O8 -","- C6 H10 Er N O8 -","- C24 H40 Er4 N4 O32 -","4","1","","Hitchings, Thomas J.; Scatena, Rebecca; Allan, David R.; Cairns, Andrew B.; Saines, Paul J.","Negative linear compressibility exhibited by the hybrid perovskite [(NH<sub>2</sub>)<sub>3</sub>C]Er(HCO<sub>2</sub>)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>).","Chemical communications (Cambridge, England)","2024","60","24","3271","3274","10.1039/d3cc06208b","","","0.4859","Synchrotron","","0.0489","0.0414","","","0.142","0.1461","","","","","","1.071","","","","has coordinates","290812","2024-04-04","22:28:32",""
"7132761","9.0471","0.0015","8.792","0.011","6.4339","0.0009","90","","96.131","0.01","90","","508.8","0.6","300","","300","","","","","","","","","5","P 1 2/a 1","-P 2ya","13","Dimethylammonium Erbium(III) Formate Oxalate","24_DMA01","","- C6 H10 Er N O8 -","- C6 H10 Er N O8 -","- C12 H20 Er2 N2 O16 -","2","0.5","","Hitchings, Thomas J.; Scatena, Rebecca; Allan, David R.; Cairns, Andrew B.; Saines, Paul J.","Negative linear compressibility exhibited by the hybrid perovskite [(NH<sub>2</sub>)<sub>3</sub>C]Er(HCO<sub>2</sub>)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>).","Chemical communications (Cambridge, England)","2024","60","24","3271","3274","10.1039/d3cc06208b","","","0.4859","Synchrotron","","0.0534","0.0461","","","0.1389","0.146","","","","","","1.092","","","","has coordinates","290812","2024-04-04","22:28:32",""
"7132762","9.1533","0.0002","8.9945","0.0016","13.1812","0.0002","90","","96.747","0.001","90","","1077.68","0.19","300","","300","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","Dimethylammonium Erbium(III) Formate Oxalate","03_DMA01","","- C6 H10 Er N O8 -","- C6 H10 Er N O8 -","- C24 H40 Er4 N4 O32 -","4","1","","Hitchings, Thomas J.; Scatena, Rebecca; Allan, David R.; Cairns, Andrew B.; Saines, Paul J.","Negative linear compressibility exhibited by the hybrid perovskite [(NH<sub>2</sub>)<sub>3</sub>C]Er(HCO<sub>2</sub>)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>).","Chemical communications (Cambridge, England)","2024","60","24","3271","3274","10.1039/d3cc06208b","","","0.4859","Synchrotron","","0.0245","0.0205","","","0.0666","0.0679","","","","","","1.17","","","","has coordinates","290812","2024-04-04","22:28:32",""
"7132763","9.1025","0.0011","8.913","0.008","6.5273","0.0006","90","","96.442","0.007","90","","526.2","0.5","300","","300","","","","","","","","","5","P 1 2/a 1","-P 2ya","13","Dimethylammonium Erbium(III) Formate Oxalate","18_DMA01","","- C6 H10 Er N O8 -","- C6 H10 Er N O8 -","- C12 H20 Er2 N2 O16 -","2","0.5","","Hitchings, Thomas J.; Scatena, Rebecca; Allan, David R.; Cairns, Andrew B.; Saines, Paul J.","Negative linear compressibility exhibited by the hybrid perovskite [(NH<sub>2</sub>)<sub>3</sub>C]Er(HCO<sub>2</sub>)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>).","Chemical communications (Cambridge, England)","2024","60","24","3271","3274","10.1039/d3cc06208b","","","0.4859","Synchrotron","","0.0572","0.0503","","","0.1426","0.1515","","","","","","1.194","","","","has coordinates","290812","2024-04-04","22:28:32",""
"7132764","15.6408","0.0001","26.8262","0.0002","40.7797","0.0004","90","","90.156","0.001","90","","17110.4","0.2","149.99","0.1","149.99","0.1","","","","","","","","7","I 1 2/m 1","-I 2y","12","","","","- C141 H123 Ag4 Cd6 N7 O2 S16 -","- C135.5 H109 Ag4 Cd6 N5 S16 -","- C542 H436 Ag16 Cd24 N20 S64 -","4","0.5","","Li, Yan-Ling; Liu, Yu-Dong; Li, Wei-Li; Li, Fu-An; Feng, Yun-Xiao; Luo, Xiao-Qiang; Han, Yong-Jun","Ligand engineering to achieve synergistic properties in a 2D bilayer supertetrahedral chalcogenide cluster-based assembled material.","Chemical communications (Cambridge, England)","2024","60","24","3279","3282","10.1039/d3cc05726g","","x-ray","1.54184","CuKα","","0.1031","0.0948","","","0.2929","0.3031","","","","","","1.027","","","","has coordinates,has disorder","290811","2024-04-04","22:28:06",""
"7132765","10.6256","0.0006","14.683","0.0008","20.9217","0.001","110.478","0.003","90.035","0.002","90.542","0.002","3057.7","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H36 N2 O9 -","- C35 H36 N2 O9 -","- C140 H144 N8 O36 -","4","2","","Emenike, Bright U.; Shinn, David W.; Spinelle, Ronald A.; Yoo, Barney; Rosario, Ambar M.","Quantifying macrocyclization-induced strain utilizing <i>N</i>-phenylimides as conformational reporters.","Chemical communications (Cambridge, England)","2024","60","30","4040","4043","10.1039/d3cc06296a","","","1.54178","CuKα","","0.0619","0.0497","","","0.1237","0.1311","","","","","","1.047","","","","has coordinates,has disorder","291535","2024-05-05","01:04:50",""
"7132766","10.084","0.0006","15.1221","0.0008","22.373","0.0013","100.593","0.002","94.039","0.002","95.97","0.002","3321.3","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C71 H73 Cl3 N4 O16 S2 -","- C71 H73 Cl3 N4 O16 S2 -","- C142 H146 Cl6 N8 O32 S4 -","2","1","","Emenike, Bright U.; Shinn, David W.; Spinelle, Ronald A.; Yoo, Barney; Rosario, Ambar M.","Quantifying macrocyclization-induced strain utilizing <i>N</i>-phenylimides as conformational reporters.","Chemical communications (Cambridge, England)","2024","60","30","4040","4043","10.1039/d3cc06296a","","","0.71073","MoKα","","0.0948","0.0552","","","0.1342","0.1584","","","","","","1.043","","","","has coordinates,has disorder","291535","2024-05-05","01:04:56",""
"7132767","17.0682","0.0011","11.8271","0.0007","27.346","0.003","90","","106.721","0.004","90","","5286.9","0.8","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C124 H120 N8 O24 -","- C124 H120 N8 O24 -","- C248 H240 N16 O48 -","2","0.5","","Emenike, Bright U.; Shinn, David W.; Spinelle, Ronald A.; Yoo, Barney; Rosario, Ambar M.","Quantifying macrocyclization-induced strain utilizing <i>N</i>-phenylimides as conformational reporters.","Chemical communications (Cambridge, England)","2024","60","30","4040","4043","10.1039/d3cc06296a","","","0.71073","MoKα","","0.0835","0.0566","","","0.1568","0.1732","","","","","","1.106","","","","has coordinates,has disorder","291535","2024-05-05","01:04:56",""
"7132768","5.5787","0.0005","13.2751","0.0009","27.4431","0.0018","90","","90","","90","","2032.4","0.3","193","2","193","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 Cl3 N O2 -","- C23 H18 Cl3 N O2 -","- C92 H72 Cl12 N4 O8 -","4","1","","Wei, Jian; Du, Zhongjian; Wang, Xu; Ji, Chenlei; Li, Longji; You, Yang'en","Palladium-catalyzed enantioselective arylation of trichloro- or tri-/difluoroacetaldimine precursors.","Chemical communications (Cambridge, England)","2024","60","24","3303","3306","10.1039/d4cc00022f","","","0.71073","MoKα","","0.0527","0.0402","","","0.0711","0.0775","","","","","","1.084","","","","has coordinates","290813","2024-04-04","22:28:43",""
"7132769","8.2702","0.0012","12.562","0.0019","13.769","0.002","89.503","0.004","79.822","0.004","87.707","0.004","1406.8","0.4","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H31 N3 O6 S -","- C29 H31 N3 O6 S -","- C58 H62 N6 O12 S2 -","2","1","","Samantaray, Swati; Maharana, Prabhat Kumar; Kar, Subhradeep; Saha, Sharajit; Punniyamurthy, Tharmalingam","Redox-neutral zinc-catalyzed cascade [1,4]-H shift/annulation of diaziridines with donor-acceptor aziridines.","Chemical communications (Cambridge, England)","2024","60","25","3441","3444","10.1039/d4cc00226a","","","0.71073","MoKα","","0.0621","0.0456","","","0.1126","0.1345","","","","","","1.141","","","","has coordinates","290820","2024-04-04","22:32:54",""
"7132770","5.5934","0.0002","10.4137","0.0003","12.5612","0.0004","90","","97.969","0.003","90","","724.6","0.04","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","wc","wc","","- C13 H14 Cl N O4 S -","- C13 H14 Cl N O4 S -","- C26 H28 Cl2 N2 O8 S2 -","2","1","","Wan, Chuan; Yang, Dongyan; Guo, Xiaochun; Zhang, Tuanjie; Ruan, Zhijun; Dai, Chuan; Xing, Yun; Yin, Feng; Wang, Rui; Li, Zigang","β-Carbonyl sulfonium enables cysteine-specific bioconjugation for activity-based protein profiling in live cells.","Chemical communications (Cambridge, England)","2024","60","27","3725","3728","10.1039/d4cc00295d","","","1.54184","CuKα","","0.0303","0.0302","","","0.0824","0.0824","","","","","","1.038","","","","has coordinates","291513","2024-05-05","00:51:02",""
"7132771","37.3204","0.0019","37.3204","0.0019","9.7227","0.0006","90","","90","","120","","11727.6","1.1","100","0.1","100","0.1","","","","","","","","4","R -3 :H","-R 3","148","","","","- C26.68 H32.49 N6 O1.56 -","- C26.686 H32.496 N6 O1.562 -","- C480.348 H584.928 N108 O28.116 -","18","1","","Kang, Xiang; Zhang, Mingtao; Tang, Weiwei; Gong, Junbo","Growth ""self-inhibition"" of irbesartan desmotrope: surface intra-annular tautomer inter-conversion is the culprit.","Chemical communications (Cambridge, England)","2024","60","26","3511","3514","10.1039/d3cc06170a","","x-ray","1.54184","CuKα","","0.0782","0.0615","","","0.1628","0.1719","","","","","","1.06","","","","has coordinates,has disorder","291533","2024-05-05","01:03:05",""
"7132772","4.3263","0.0003","18.5138","0.0016","12.3948","0.0013","90","","97.504","0.003","90","","984.27","0.15","265","2","265.61","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Cl4 N2 O4 Pb S2 -","- C12 H14 Cl4 N2 O4 Pb S2 -","- C24 H28 Cl8 N4 O8 Pb2 S4 -","2","0.5","","Wang, Jing; Yang, Jin-Hai; Chen, Jie; Wang, Shuai-Hua; Chen, Yong-Jun; Xu, Gang","1D Pb halide perovskite-like materials for high performance X-ray detection.","Chemical communications (Cambridge, England)","2024","60","24","3311","3314","10.1039/d4cc00510d","","","0.71073","MoKα","","0.0396","0.0246","","","0.0515","0.0581","","","","","","1.083","","","","has coordinates","290808","2024-04-04","22:27:28",""
"7132773","4.4621","0.0004","19.0334","0.0017","12.5804","0.0013","90","","98.489","0.004","90","","1056.73","0.17","300","2","299.97","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Br4 N2 O4 Pb S2 -","- C12 H12 Br4 N2 O4 Pb S2 -","- C24 H24 Br8 N4 O8 Pb2 S4 -","2","0.5","","Wang, Jing; Yang, Jin-Hai; Chen, Jie; Wang, Shuai-Hua; Chen, Yong-Jun; Xu, Gang","1D Pb halide perovskite-like materials for high performance X-ray detection.","Chemical communications (Cambridge, England)","2024","60","24","3311","3314","10.1039/d4cc00510d","","","0.71073","MoKα","","0.0611","0.0319","","","0.0569","0.0677","","","","","","1.036","","","","has coordinates","290808","2024-04-04","22:27:29",""
"7132774","4.6903","0.0003","19.9065","0.0016","12.82","0.0011","90","","99.393","0.003","90","","1180.92","0.16","299.9","","299.9","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 I4 N2 O4 Pb S2 -","- C12 H12 I4 N2 O4 Pb S2 -","- C24 H24 I8 N4 O8 Pb2 S4 -","2","0.5","","Wang, Jing; Yang, Jin-Hai; Chen, Jie; Wang, Shuai-Hua; Chen, Yong-Jun; Xu, Gang","1D Pb halide perovskite-like materials for high performance X-ray detection.","Chemical communications (Cambridge, England)","2024","60","24","3311","3314","10.1039/d4cc00510d","","","0.71073","MoKα","","0.0369","0.0247","","","0.0469","0.0522","","","","","","1.082","","","","has coordinates","290808","2024-04-04","22:27:29",""
"7132775","37.954","0.0019","10.748","0.0008","24.5839","0.0008","90","","93.542","0.004","90","","10009.3","1","212.99","0.1","213.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H66 N10 O14 S4 -","- C62 H66 N10 O14 S4 -","- C248 H264 N40 O56 S16 -","4","0.5","","Huang, Ming-Feng; Cao, Li-Hui; Zhou, Bin","A solvent-controlled photoresponsive ionic hydrogen-bonded organic framework for encryption applications.","Chemical communications (Cambridge, England)","2024","60","25","3437","3440","10.1039/d4cc00701h","","","1.54184","CuKα","","0.1026","0.0751","","","0.2137","0.2297","","","","","","1.031","","","","has coordinates","290819","2024-04-04","22:32:46",""
"7132776","12.9205","0.0002","27.6064","0.0004","15.3072","0.0002","90","","113.718","0.0007","90","","4998.72","0.13","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 N8 O16 S4 -","- C42 H48 N8 O16 S4 -","- C168 H192 N32 O64 S16 -","4","1","","Huang, Ming-Feng; Cao, Li-Hui; Zhou, Bin","A solvent-controlled photoresponsive ionic hydrogen-bonded organic framework for encryption applications.","Chemical communications (Cambridge, England)","2024","60","25","3437","3440","10.1039/d4cc00701h","","","1.54178","CuKα","","0.0933","0.0895","","","0.2377","0.2409","","","","","","1.081","","","","has coordinates","290819","2024-04-04","22:32:46",""
"7132777","9.1592","0.0003","17.6405","0.0005","10.2784","0.0003","90","","94.192","0.001","90","","1656.27","0.09","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H33 N O7 S -","- C41 H33 N O7 S -","- C82 H66 N2 O14 S2 -","2","1","","Barik, Shilpa; Sankar, Ganga; Biju, Akkattu T.","Enantioselective synthesis of tricyclic oxoquinolines <i>via</i> NHC-catalyzed Michael-aldol-lactamization-dehydration cascade.","Chemical communications (Cambridge, England)","2024","60","32","4290","4293","10.1039/d4cc00502c","","","0.71073","MoKα","","0.0501","0.0354","","","0.0741","0.0803","","","","","","1.042","","","","has coordinates","291516","2024-05-05","00:52:27",""
"7132778","24.1213","0.0014","8.1633","0.0004","24.2668","0.0017","90","","98.981","0.002","90","","4719.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Ca F9 N3 O8 -","- C18 H14 Ca F9 N3 O8 -","- C144 H112 Ca8 F72 N24 O64 -","8","2","","Baudet, Judith; Lesur, Emilie; Ribéraud, Maxime; Chevalier, Arnaud; D'Anfray, Timothée; Thuéry, Pierre; Audisio, Davide; Taran, Frédéric","Synthesis of sydnonimines from sydnones and their use for bioorthogonal release of isocyanates in cells.","Chemical communications (Cambridge, England)","2024","60","27","3657","3660","10.1039/d4cc00490f","","","0.71073","MoKα","","0.0893","0.0825","","","0.2352","0.2414","","","","","","1.107","","","","has coordinates","291512","2024-05-05","00:50:33",""
"7132779","13.4213","0.0005","15.8641","0.0006","16.3965","0.0006","104.442","0.002","102.934","0.002","96.066","0.002","3246.4","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H92 I2 K O10 Si8 U -","- C36 H92 I2 K O10 Si8 U -","- C72 H184 I4 K2 O20 Si16 U2 -","2","1","","Lin, Nathan J.; Zeller, Matthias; Bart, Suzanne C.","Solution and solid-state characterization of rare silyluranium(III) complexes.","Chemical communications (Cambridge, England)","2024","60","29","3954","3957","10.1039/d4cc00655k","","","0.71073","MoKα","","0.0438","0.0287","","","0.0554","0.0595","","","","","","1.024","","","","has coordinates,has disorder","291498","2024-05-05","00:38:17",""
"7132780","14.8717","0.0005","15.8095","0.0005","28.9025","0.0009","90","","103.785","0.002","90","","6599.7","0.4","150","2","150","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C36 H98 I2 K O11 Si8 U -","- C36 H98 I2 K O11 Si8 U -","- C144 H392 I8 K4 O44 Si32 U4 -","4","1","","Lin, Nathan J.; Zeller, Matthias; Bart, Suzanne C.","Solution and solid-state characterization of rare silyluranium(III) complexes.","Chemical communications (Cambridge, England)","2024","60","29","3954","3957","10.1039/d4cc00655k","","","0.71073","MoKα","","0.1344","0.051","","","0.1003","0.1275","","","","","","1.007","","","","has coordinates,has disorder","291498","2024-05-05","00:38:23",""
"7132781","49.049","0.013","13.108","0.005","21.124","0.007","90","","90.054","0.019","90","","13581","8","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H98 I2 K O10 Si8 U -","- C40 H98 I2 K O10 Si8 U -","- C320 H784 I16 K8 O80 Si64 U8 -","8","1","","Lin, Nathan J.; Zeller, Matthias; Bart, Suzanne C.","Solution and solid-state characterization of rare silyluranium(III) complexes.","Chemical communications (Cambridge, England)","2024","60","29","3954","3957","10.1039/d4cc00655k","","","0.71073","MoKα","","0.0842","0.0431","","","0.0971","0.1152","","","","","","1.017","","","","has coordinates,has disorder","291498","2024-05-05","00:38:24",""
"7132782","8.0536","0.0005","8.9238","0.0005","15.0934","0.0009","79.306","0.005","85.035","0.005","65.599","0.005","970.63","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","","axially-fluoro-substituted azabora[6]helicene","","- C27 H15 B F N5 -","- C27 H15 B F N5 -","- C54 H30 B2 F2 N10 -","2","1","","Kage, Yuto; Jiang, Yuchuan; Minakuchi, Namiki; Mori, Shigeki; Shimizu, Soji","One-pot synthesis of azabora[6]helicene by a Schiff base forming reaction.","Chemical communications (Cambridge, England)","2024","60","26","3543","3546","10.1039/d4cc00168k","","x-ray","0.71073","MoKα","","0.0884","0.0534","","","0.1158","0.1277","","","","","","1.05","","","","has coordinates","291532","2024-05-05","01:02:30",""
"7132783","9.3419","0.0004","10.0645","0.0005","14.7904","0.0006","91.141","0.004","105.751","0.004","90.019","0.004","1338.11","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","","axially-phenyl-substituted azabora[6]helicene","","- C34 H22 B Cl2 N5 -","- C34 H22 B Cl2 N5 -","- C68 H44 B2 Cl4 N10 -","2","1","","Kage, Yuto; Jiang, Yuchuan; Minakuchi, Namiki; Mori, Shigeki; Shimizu, Soji","One-pot synthesis of azabora[6]helicene by a Schiff base forming reaction.","Chemical communications (Cambridge, England)","2024","60","26","3543","3546","10.1039/d4cc00168k","","x-ray","0.71073","MoKα","","0.0778","0.0562","","","0.1327","0.1447","","","","","","1.043","","","","has coordinates","291532","2024-05-05","01:02:34",""
"7132784","10.169","0.0002","10.856","0.0002","12.0502","0.0003","90","","102.79","0.002","90","","1297.27","0.05","170","0.18","170","0.18","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 F2 N O -","- C16 H13 F2 N O -","- C64 H52 F8 N4 O4 -","4","1","","Wang, Xuan; Li, Jianlong; Du, Haifang; Liang, Weihong; Luo, Cheng; Wu, Yunshan; Liu, Bo","Synthesis of 1,4-epoxy-2-aryltetrahydro-1-benzazepines <i>via</i> rhodium(III)-catalyzed C-H allylation/intramolecular 1,3-dipolar cycloaddition.","Chemical communications (Cambridge, England)","2024","60","17","2401","2404","10.1039/d3cc05082c","","x-ray","1.54184","CuKα","","0.0428","0.0388","","","0.0998","0.1028","","","","","","1.047","","","","has coordinates","290037","2024-03-04","00:10:49",""
"7132785","9.7065","0.0003","11.7198","0.0004","12.029","0.0004","77.71","0.003","89.322","0.003","71.433","0.003","1265.13","0.08","170","0.1","170","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 F2 N O -","- C16 H13 F2 N O -","- C64 H52 F8 N4 O4 -","4","2","","Wang, Xuan; Li, Jianlong; Du, Haifang; Liang, Weihong; Luo, Cheng; Wu, Yunshan; Liu, Bo","Synthesis of 1,4-epoxy-2-aryltetrahydro-1-benzazepines <i>via</i> rhodium(III)-catalyzed C-H allylation/intramolecular 1,3-dipolar cycloaddition.","Chemical communications (Cambridge, England)","2024","60","17","2401","2404","10.1039/d3cc05082c","","x-ray","1.54184","CuKα","","0.0557","0.0517","","","0.1352","0.1391","","","","","","1.059","","","","has coordinates","290037","2024-03-04","00:10:51",""
"7132786","38.1751","0.0004","38.1751","0.0004","37.5163","0.0006","90","","90","","120","","47349","1","100.01","0.1","100.01","0.1","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C210 H228 Ag3 B F4 N36 O24 -","- C210 H228 Ag3 B F4 N36 O24 -","- C1260 H1368 Ag18 B6 F24 N216 O144 -","6","0.333333","","Bajpayee, Nikhil; Pophali, Salil; Vijayakanth, Thangavel; Nandi, Shyamapada; Desai, Aamod V.; Kumar, Vinod; Jain, Rahul; Bera, Santu; Shimon, Linda J. W.; Misra, Rajkumar","Metal-driven folding and assembly of a minimal β-sheet into a 3D-porous honeycomb framework.","Chemical communications (Cambridge, England)","2024","60","19","2621","2624","10.1039/d3cc05185d","","","1.54184","CuKα","","0.0595","0.0563","","","0.1744","0.1778","","","","","","1.095","","","","has coordinates","290038","2024-03-04","00:12:17",""
"7132787","19.7601","0.0008","19.7601","0.0008","19.9303","0.0011","90","","90","","90","","7782","0.6","190","","190","","","","","","","","","5","P 43","P 4cw","78","","","","- C76 H65 Cu2 N20 O16.5 -","- C76 H65.0008 Cu2 N20 O16.5 -","- C304 H260.003 Cu8 N80 O66 -","4","1","","Qiu, Zhao-Feng; Wang, Peng; Zhang, Xiao-Yu; Chen, Jia-Qi; Zhang, Kai-Yang; Lu, Xiang-Yu; Zhao, Yue; Sun, Wei-Yin","Supramolecular assemblies of Cu(II) with a tetraphenylethene-imidazole ligand for tuning photocatalytic CO<sub>2</sub> reduction.","Chemical communications (Cambridge, England)","2024","60","16","2204","2207","10.1039/d3cc05514k","","","1.34139","GaKα","","0.0976","0.0786","","","0.1978","0.2061","","","","","","1.052","","","","has coordinates,has disorder","290039","2024-03-04","00:13:05",""
"7132788","15.805","0.004","9.323","0.002","27.137","0.007","90","","99.835","0.01","90","","3939.9","1.7","193","","193","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H33 Cl4 Cu2 N9 O -","- C40 H33 Cl4 Cu2 N9 O -","- C160 H132 Cl16 Cu8 N36 O4 -","4","1","","Qiu, Zhao-Feng; Wang, Peng; Zhang, Xiao-Yu; Chen, Jia-Qi; Zhang, Kai-Yang; Lu, Xiang-Yu; Zhao, Yue; Sun, Wei-Yin","Supramolecular assemblies of Cu(II) with a tetraphenylethene-imidazole ligand for tuning photocatalytic CO<sub>2</sub> reduction.","Chemical communications (Cambridge, England)","2024","60","16","2204","2207","10.1039/d3cc05514k","","","0.71073","MoKα","","0.1193","0.0708","","","0.1511","0.1819","","","","","","1.065","","","","has coordinates","290039","2024-03-04","00:13:05",""
"7132789","25.9298","0.0002","25.9298","0.0002","25.9298","0.0002","90","","90","","90","","17434","0.2","100.15","","100.15","","","","","","","","","6","P m -3 n","-P 4n 2 3","223","","","","- C41.5 H45.5 N6.5 O18 Tb Ti -","- C34 H19 N4 O13 Tb Ti -","- C408 H228 N48 O156 Tb12 Ti12 -","12","0.25","","Yao, Qingxia; Pan, Xuze; Si, Xuezhen; Wang, Xin; Zhang, Xiaoying; Hou, Jinle; Su, Jie; Qiu, Yi; Li, Jun","A porous and photoactive Ti-MOF based on a novel tetranuclear [Ti<sub>2</sub>Tb<sub>2</sub>] cluster.","Chemical communications (Cambridge, England)","2024","60","16","2188","2191","10.1039/d3cc06114k","","","0.71073","GaKα","","0.1375","0.1114","","","0.3084","0.3339","","","","","","1.25","","","","has coordinates,has disorder","290040","2024-03-04","00:13:30",""
"7132790","11.4759","0.0004","11.5363","0.0003","19.7187","0.0007","85.779","0.003","79.152","0.003","85.444","0.003","2551.2","0.15","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H32 N2 O5 -","- C29 H32 N2 O5 -","- C116 H128 N8 O20 -","4","2","","Lai, Jingxiong; Huang, You","A highly diastereoselective (5+1) annulation of allenoates and pyrazolones catalyzed by CH<sub>3</sub>OK.","Chemical communications (Cambridge, England)","2024","60","15","2066","2069","10.1039/d3cc05751h","","","0.71073","MoKα","","0.0651","0.0473","","","0.1214","0.1343","","","","","","1.038","","","","has coordinates","290041","2024-03-04","00:15:48",""
"7132791","5.4153","0.0005","11.2753","0.0012","9.4479","0.001","90","","98.633","0.007","90","","570.34","0.1","193","","193","","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3R)-N,N-Dimethyl-2-carboxyl-3-methyl-hexanamide","","- C10 H19 N O3 -","- C10 H19 N O3 -","- C20 H38 N2 O6 -","2","1","","Zhang, Qiuxin; Zhang, Heng; Geng, Senbai; Zhao, Xian; Liu, Shucheng; Hong, Kun; Pan, Jianming; Yan, Xingchen","Green transformation of CO<sub>2</sub> into γ-amino alcohols with continuous stereocenters.","Chemical communications (Cambridge, England)","2024","60","15","2062","2065","10.1039/d3cc05193e","","x-ray","1.54178","CuKα","","0.0492","0.0453","","","0.1199","0.1239","","","","","","1.065","","","","has coordinates","290042","2024-03-04","00:16:00",""
"7132792","13.7335","0.0009","21.8752","0.0011","22.673","0.0013","117.984","0.006","91.487","0.005","103.84","0.005","5764.1","0.7","150","0.1","150","0.1","","","","","","","","8","P -1","-P 1","2","Thesis - Compound 4.6a - CO16","CO16","","- C52 H52 B2 Hg N14 O4 Se2 W2 -","- C52 H52 B2 Hg N14 O4 Se2 W2 -","- C208 H208 B8 Hg4 N56 O16 Se8 W8 -","4","2","","Onn, Chee S.; Hill, Anthony F.; Ward, Jas S.","Spodium bonding in bis(alkynyl)mecurials.","Chemical communications (Cambridge, England)","2024","60","18","2552","2555","10.1039/d3cc06027f","","x-ray","1.54184","CuKα","","0.1182","0.0704","","","0.1611","0.1949","","","","","","0.993","","","","has coordinates","290043","2024-03-04","00:16:41",""
"7132793","7.9715","0.0003","18.2689","0.0006","19.7379","0.0008","90","","101.415","0.003","90","","2817.58","0.18","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Thesis - Compound 2.8 - CO12 xrd","CO12","","- C20 H23 B N6 O2 Se W -","- C20 H23 B N6 O2 Se W -","- C80 H92 B4 N24 O8 Se4 W4 -","4","1","","Onn, Chee S.; Hill, Anthony F.; Ward, Jas S.","Spodium bonding in bis(alkynyl)mecurials.","Chemical communications (Cambridge, England)","2024","60","18","2552","2555","10.1039/d3cc06027f","","x-ray","1.54184","CuKα","","0.1075","0.0981","","","0.2099","0.2139","","","","","","1.163","","","","has coordinates","290043","2024-03-04","00:16:42",""
"7132794","10.6281","0.0005","11.0432","0.0006","15.1354","0.0007","84.687","0.004","87.521","0.004","75.938","0.004","1715.38","0.15","150","0.1","150","0.1","","","","","","","","8","P -1","-P 1","2","Thesis - Compound A.4 - CO32","CO32","","- C29 H43 B N6 O2 Si Te W -","- C29 H43 B N6 O2 Si Te W -","- C58 H86 B2 N12 O4 Si2 Te2 W2 -","2","1","","Onn, Chee S.; Hill, Anthony F.","Carbon-chalcogen wires: alkynyltellurolatocarbynes.","Chemical communications (Cambridge, England)","2024","60","26","3555","3558","10.1039/d4cc00303a","","x-ray","1.54184","CuKα","","0.0784","0.0604","","","0.1471","0.16","","","","","","1.018","","","","has coordinates","290818","2024-04-04","22:32:14",""
"7132795","11.1523","0.0004","11.161","0.0005","14.3505","0.0006","89.093","0.004","89.186","0.003","77.275","0.003","1742.02","0.13","150.01","0.1","150.01","0.1","","","","","","","","10","P -1","-P 1","2","Thesis - Compound A.14 - CO19a","CO19a","","- C21 H30 Au B Cl6 N6 O2 S Te W -","- C21 H30 Au B Cl6 N6 O2 S Te W -","- C42 H60 Au2 B2 Cl12 N12 O4 S2 Te2 W2 -","2","1","","Onn, Chee S.; Hill, Anthony F.","Carbon-chalcogen wires: alkynyltellurolatocarbynes.","Chemical communications (Cambridge, England)","2024","60","26","3555","3558","10.1039/d4cc00303a","","x-ray","1.54184","CuKα","","0.0873","0.0632","","","0.173","0.1831","","","","","","1.075","","","","has coordinates,has disorder","290818","2024-04-04","22:32:15",""
"7132796","10.9539","0.0002","18.7716","0.0004","20.4333","0.0004","90","","102.63","0.002","90","","4099.87","0.14","150.01","0.1","150.01","0.1","","","","","","","","10","P 1 21/n 1","-P 2yn","14","Thesis - Compound A.15 - CO194","CO194","","- C64 H100 B2 Cl4 Cu4 N12 O4 Si2 Te2 W2 -","- C64 H100 B2 Cl4 Cu4 N12 O4 Si2 Te2 W2 -","- C128 H200 B4 Cl8 Cu8 N24 O8 Si4 Te4 W4 -","2","0.5","","Onn, Chee S.; Hill, Anthony F.","Carbon-chalcogen wires: alkynyltellurolatocarbynes.","Chemical communications (Cambridge, England)","2024","60","26","3555","3558","10.1039/d4cc00303a","","x-ray","1.54184","CuKα","","0.0493","0.0372","","","0.0884","0.0954","","","","","","1.025","","","","has coordinates","290818","2024-04-04","22:32:15",""
"7132797","7.9095","0.0002","18.2594","0.0004","9.7522","0.0003","90","","99.742","0.002","90","","1388.13","0.06","149.99","0.1","149.99","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","Thesis - Compound A.10 - CO47","CO47","","- C24 H27 B N8 O2 Te W -","- C24 H27 B N8 O2 Te W -","- C48 H54 B2 N16 O4 Te2 W2 -","2","1","","Onn, Chee S.; Hill, Anthony F.","Carbon-chalcogen wires: alkynyltellurolatocarbynes.","Chemical communications (Cambridge, England)","2024","60","26","3555","3558","10.1039/d4cc00303a","","x-ray","1.54184","CuKα","","0.0532","0.0521","","","0.1347","0.1359","","","","","","1.066","","","","has coordinates","290818","2024-04-04","22:32:15",""
"7132798","12.3181","0.0004","24.9472","0.0013","16.5061","0.0006","90","","108.592","0.004","90","","4807.6","0.4","150.01","0.1","150.01","0.1","","","","","","","","10","P 1 21/m 1","-P 2yb","11","Thesis - Compound A.2 - CO298","CO298","","- C23 H31 Au B Cl N6 O2 S Si W -","- C23 H31 Au B Cl N6 O2 S Si W -","- C138 H186 Au6 B6 Cl6 N36 O12 S6 Si6 W6 -","6","1.5","","Onn, Chee S.; Hill, Anthony F.","Carbon-chalcogen wires: alkynyltellurolatocarbynes.","Chemical communications (Cambridge, England)","2024","60","26","3555","3558","10.1039/d4cc00303a","","x-ray","1.54184","CuKα","","0.097","0.0772","","","0.1912","0.2006","","","","","","1.164","","","","has coordinates,has disorder","290818","2024-04-04","22:32:15",""
"7132799","20.5319","0.0005","14.2779","0.0002","21.6073","0.0004","90","","117.804","0.003","90","","5602.9","0.2","150.01","0.1","150.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Thesis - Compound A.8 - CO5","CO5","","- C26 H27 B N6 O2 Te W -","- C26 H27 B N6 O2 Te W -","- C208 H216 B8 N48 O16 Te8 W8 -","8","2","","Onn, Chee S.; Hill, Anthony F.","Carbon-chalcogen wires: alkynyltellurolatocarbynes.","Chemical communications (Cambridge, England)","2024","60","26","3555","3558","10.1039/d4cc00303a","","x-ray","1.54184","CuKα","","0.0591","0.0561","","","0.1455","0.1485","","","","","","1.11","","","","has coordinates,has disorder","290818","2024-04-04","22:32:15",""
"7132800","8.2405","0.0001","13.6044","0.0003","25.8384","0.0005","90","","90","","90","","2896.67","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H28 F3 N3 O2 -","- C33 H28 F3 N3 O2 -","- C132 H112 F12 N12 O8 -","4","1","","Wang, Lan; Lu, Mengxi; Li, Kuan; Yang, Sen; Wang, Lei; Guo, Hongchao","Palladium-catalyzed enantioselective umpolung allylation of amido-tethered allylic carbonates with isatin-derived ketimines.","Chemical communications (Cambridge, England)","2024","60","27","3729","3732","10.1039/d4cc00060a","","x-ray","1.54184","CuKα","","0.0519","0.0459","","","0.1222","0.1293","","","","","","1.037","","","","has coordinates","290816","2024-04-04","22:30:28",""
"7132801","6.2418","0.0003","18.1094","0.0007","15.2988","0.0006","90","","96.701","0.004","90","","1717.49","0.13","290.9","0.4","290.9","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 F N2 -","- C22 H17 F N2 -","- C88 H68 F4 N8 -","4","1","","Qin, Jiaze; Jiang, Shixuan; Luo, Xiaofeng; Wang, Tianqiang; Liu, Peihua; Yuan, Bingxiang; Yan, Rulong","I<sub>2</sub>-catalyzed synthesis of 3-aminopyrrole with homopropargylic amines and nitrosoarenes.","Chemical communications (Cambridge, England)","2024","60","27","3701","3704","10.1039/d4cc00482e","","","0.71073","MoKα","","0.0901","0.0524","","","0.1131","0.1337","","","","","","1.019","","","","has coordinates","291514","2024-05-05","00:51:24",""
"7132802","11.5521","0.0002","9.4107","0.0002","32.526","0.0006","90","","95.722","0.002","90","","3518.39","0.12","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H28 N8 -","- C38 H28 N8 -","- C152 H112 N32 -","4","1","","Zhang, Li; Luo, Yu-Ting; Xiao, Sai-Jin; Fan, Jia-Qi; Tan, Quan-Gen; Sun, Chen; Song, An-Min; Liang, Ru-Ping; Qiu, Jian-Ding","The construction of a stable hydrogen-bonded organic framework for the photocatalytic reduction and removal of uranium.","Chemical communications (Cambridge, England)","2024","60","26","3583","3586","10.1039/d4cc00438h","","x-ray","1.54184","CuKα","","0.074","0.061","","","0.1818","0.1956","","","","","","1.08","","","","has coordinates","291531","2024-05-05","01:02:01",""
"7132803","7.1586","0.0008","11.9651","0.0014","18.845","0.002","90","","90","","90","","1614.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Br O2 -","- C19 H17 Br O2 -","- C76 H68 Br4 O8 -","4","1","","Li, Zheyao; Zhang, Huiwen; Zhao, Lin; Ma, Yueyue; Wu, Qiufang; Ren, Haosong; Lin, Zhongren; Zheng, Jun; Yu, Xinhong","Metal-free β,γ-C(sp<sup>3</sup>)-H difunctionalization of propanols: DMP-initiated asymmetric spirocyclopropanation.","Chemical communications (Cambridge, England)","2024","60","26","3579","3582","10.1039/d4cc00116h","","","0.71073","MoKα","","0.0708","0.0446","","","0.0886","0.0981","","","","","","1.01","","","","has coordinates","291530","2024-05-05","01:01:35",""
"7132804","9.9434","0.0012","11.2111","0.0013","11.3362","0.0013","100.833","0.002","92.317","0.002","115.863","0.002","1106.1","0.2","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H19 N O5 -","- C29 H19 N O5 -","- C58 H38 N2 O10 -","2","1","","Wang, Kai-Kai; Li, Yan-Li; Li, Ya-Fei; Yao, Wei-Wei; Li, Lan-Xin; He, Xiao-Long; Chen, Rongxiang","Substrate-controlled [4+1] and [3+2] annulations of ninhydrin-derived Morita-Baylis-Hillman carbonates to access polysubstituted furans and cyclopentenes.","Chemical communications (Cambridge, England)","2024","60","27","3717","3720","10.1039/d3cc06276g","","","0.71073","MoKα","","0.0753","0.0483","","","0.1142","0.1305","","","","","","1.037","","","","has coordinates","290817","2024-04-04","22:30:44",""
"7132805","8.5559","0.0017","26.5","0.005","9.988","0.002","90","","99.097","0.004","90","","2236.1","0.8","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H18 O6 -","- C29 H18 O6 -","- C116 H72 O24 -","4","1","","Wang, Kai-Kai; Li, Yan-Li; Li, Ya-Fei; Yao, Wei-Wei; Li, Lan-Xin; He, Xiao-Long; Chen, Rongxiang","Substrate-controlled [4+1] and [3+2] annulations of ninhydrin-derived Morita-Baylis-Hillman carbonates to access polysubstituted furans and cyclopentenes.","Chemical communications (Cambridge, England)","2024","60","27","3717","3720","10.1039/d3cc06276g","","","0.71073","MoKα","","0.1086","0.0514","","","0.1016","0.1197","","","","","","1.007","","","","has coordinates","290817","2024-04-04","22:30:44",""
"7132806","9.4988","0.0002","11.9651","0.0003","17.3667","0.0004","90","","97.139","0.001","90","","1958.49","0.08","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 N -","- C27 H23 N -","- C108 H92 N4 -","4","1","","Shinde, Jivan; Suresh, Sundaram; Kavala, Veerababurao; Yao, Ching-Fa","Pd(II)-catalyzed hydroarylations/hydroalkenylations of terminal alkynes: regioselective synthesis of allylic, homoallylic, and 1,3-diene systems.","Chemical communications (Cambridge, England)","2024","60","28","3790","3793","10.1039/d4cc00049h","","","1.54178","CuKα","","0.0548","0.0492","","","0.1273","0.1342","","","","","","1.041","","","","has coordinates","290807","2024-04-04","22:27:17",""
"7132807","16.5657","0.0015","5.4295","0.0004","14.0697","0.0011","90","","90","","90","","1265.48","0.18","200","2","200","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","","Shinde, Jivan; Suresh, Sundaram; Kavala, Veerababurao; Yao, Ching-Fa","Pd(II)-catalyzed hydroarylations/hydroalkenylations of terminal alkynes: regioselective synthesis of allylic, homoallylic, and 1,3-diene systems.","Chemical communications (Cambridge, England)","2024","60","28","3790","3793","10.1039/d4cc00049h","","","0.71073","MoKα","","0.0701","0.0528","","","0.12","0.1313","","","","","","1.028","","","","has coordinates","290807","2024-04-04","22:27:18",""
"7132808","10.908","0.004","15.648","0.006","14.141","0.005","90","","112.321","0.01","90","","2232.8","1.4","170","2","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H23.62 Cl0.38 N2 O3 S -","- C26 H23.628 Cl0.372 N2 O3 S -","- C104 H94.512 Cl1.488 N8 O12 S4 -","4","1","","Wang, Bi; Liang, Ren-Xiao; Shen, Zhen-Lu; Jia, Yi-Xia","Copper-catalyzed intramolecular dearomative aza-Wacker reaction of indole.","Chemical communications (Cambridge, England)","2024","60","28","3858","3861","10.1039/d3cc06217a","","","0.71073","MoKα","","0.0514","0.0423","","","0.1086","0.1145","","","","","","1.04","","","","has coordinates,has disorder","290801","2024-04-04","22:25:47",""
"7132809","8.546","0.004","6.518","0.003","15.6","0.008","90","","105.428","0.009","90","","837.7","0.7","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H22 O2 -","- C20 H22 O2 -","- C40 H44 O4 -","2","1","","Magham, Lakshmi Revati; Samad, Abdus; Thopate, Satish B.; Nanubolu, Jagadeesh Babu; Chegondi, Rambabu","Organocatalytic enantioselective desymmetrization of enal-tethered cyclohexane-1,3-diones.","Chemical communications (Cambridge, England)","2024","60","28","3834","3837","10.1039/d4cc00487f","","","0.71073","MoKα","","0.0702","0.044","","","0.0899","0.1003","","","","","","1.051","","","","has coordinates","290798","2024-04-04","22:25:15",""
"7132810","8.3513","0.0001","13.4596","0.0002","15.583","0.0002","77.965","0.001","76.1","0.001","77.207","0.001","1635.64","0.04","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cl N O2 -","- C18 H20 Cl N O2 -","- C72 H80 Cl4 N4 O8 -","4","2","","Campbell, Aaron D. G.; Roper, Natalie J.; Waddell, Paul G.; Wills, Corinne; Dixon, Casey M.; Denton, Ross M.; Ermanis, Kristaps; Armstrong, Roly J.","Synthesis, structure and stereodynamics of atropisomeric <i>N</i>-chloroamides.","Chemical communications (Cambridge, England)","2024","60","28","3818","3821","10.1039/d4cc00268g","","x-ray","1.54184","CuKα","","0.0431","0.0395","","","0.1056","0.1083","","","","","","1.065","","","","has coordinates","290802","2024-04-04","22:26:13",""
"7132811","6.2156","0.0001","11.1571","0.0003","24.7517","0.0006","90","","92.551","0.002","90","","1714.78","0.07","150","0.2","150","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Cl F3 N O -","- C18 H17 Cl F2.9973 N O -","- C72 H68 Cl4 F11.9892 N4 O4 -","4","1","","Campbell, Aaron D. G.; Roper, Natalie J.; Waddell, Paul G.; Wills, Corinne; Dixon, Casey M.; Denton, Ross M.; Ermanis, Kristaps; Armstrong, Roly J.","Synthesis, structure and stereodynamics of atropisomeric <i>N</i>-chloroamides.","Chemical communications (Cambridge, England)","2024","60","28","3818","3821","10.1039/d4cc00268g","","x-ray","1.54184","CuKα","","0.0406","0.0361","","","0.0986","0.1026","","","","","","1.092","","","","has coordinates,has disorder","290802","2024-04-04","22:26:15",""
"7132812","9.2235","0.0001","7.0079","0.0001","25.1221","0.0004","90","","94.528","0.002","90","","1618.76","0.04","150","0.2","150","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H24 Cl N O -","- C17 H24 Cl N O -","- C68 H96 Cl4 N4 O4 -","4","1","","Campbell, Aaron D. G.; Roper, Natalie J.; Waddell, Paul G.; Wills, Corinne; Dixon, Casey M.; Denton, Ross M.; Ermanis, Kristaps; Armstrong, Roly J.","Synthesis, structure and stereodynamics of atropisomeric <i>N</i>-chloroamides.","Chemical communications (Cambridge, England)","2024","60","28","3818","3821","10.1039/d4cc00268g","","x-ray","1.54184","CuKα","","0.0433","0.0368","","","0.0961","0.1014","","","","","","1.044","","","","has coordinates","290802","2024-04-04","22:26:15",""
"7132813","18.5653","0.0004","6.3699","0.0001","23.6434","0.0005","90","","108.817","0.002","90","","2646.61","0.1","150","0.2","150","0.2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C14 H18 Cl N O -","- C14 H18 Cl N O -","- C112 H144 Cl8 N8 O8 -","8","1","","Campbell, Aaron D. G.; Roper, Natalie J.; Waddell, Paul G.; Wills, Corinne; Dixon, Casey M.; Denton, Ross M.; Ermanis, Kristaps; Armstrong, Roly J.","Synthesis, structure and stereodynamics of atropisomeric <i>N</i>-chloroamides.","Chemical communications (Cambridge, England)","2024","60","28","3818","3821","10.1039/d4cc00268g","","x-ray","1.54184","CuKα","","0.0668","0.0607","","","0.1564","0.1619","","","","","","1.051","","","","has coordinates","290802","2024-04-04","22:26:15",""
"7132814","16.7373","0.0009","6.1891","0.0002","18.0916","0.0011","90","","110.509","0.006","90","","1755.3","0.17","150","0.2","150","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl N O -","- C19 H22 Cl N O -","- C76 H88 Cl4 N4 O4 -","4","1","","Campbell, Aaron D. G.; Roper, Natalie J.; Waddell, Paul G.; Wills, Corinne; Dixon, Casey M.; Denton, Ross M.; Ermanis, Kristaps; Armstrong, Roly J.","Synthesis, structure and stereodynamics of atropisomeric <i>N</i>-chloroamides.","Chemical communications (Cambridge, England)","2024","60","28","3818","3821","10.1039/d4cc00268g","","x-ray","1.54184","CuKα","","0.0509","0.0428","","","0.1167","0.1354","","","","","","1.148","","","","has coordinates,has disorder","290802","2024-04-04","22:26:15",""
"7132815","17.0047","0.0005","6.656","0.0002","24.757","0.0008","90","","92.075","0.003","90","","2800.24","0.15","150","0.2","150","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H20 Cl N O -","- C15 H20 Cl N O -","- C120 H160 Cl8 N8 O8 -","8","1","","Campbell, Aaron D. G.; Roper, Natalie J.; Waddell, Paul G.; Wills, Corinne; Dixon, Casey M.; Denton, Ross M.; Ermanis, Kristaps; Armstrong, Roly J.","Synthesis, structure and stereodynamics of atropisomeric <i>N</i>-chloroamides.","Chemical communications (Cambridge, England)","2024","60","28","3818","3821","10.1039/d4cc00268g","","x-ray","1.54184","CuKα","","0.0372","0.033","","","0.0886","0.0928","","","","","","1.066","","","","has coordinates","290802","2024-04-04","22:26:15",""
"7132816","12.6132","0.0006","6.8258","0.0004","17.3255","0.0008","90","","93.319","0.004","90","","1489.14","0.13","150","0.2","150","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Cl N O -","- C16 H22 Cl N O -","- C64 H88 Cl4 N4 O4 -","4","1","","Campbell, Aaron D. G.; Roper, Natalie J.; Waddell, Paul G.; Wills, Corinne; Dixon, Casey M.; Denton, Ross M.; Ermanis, Kristaps; Armstrong, Roly J.","Synthesis, structure and stereodynamics of atropisomeric <i>N</i>-chloroamides.","Chemical communications (Cambridge, England)","2024","60","28","3818","3821","10.1039/d4cc00268g","","x-ray","1.54184","CuKα","","0.0557","0.0445","","","0.123","0.1337","","","","","","1.046","","","","has coordinates","290802","2024-04-04","22:26:15",""
"7132817","7.6345","0.0001","9.6295","0.0001","20.4737","0.0002","90","","90","","90","","1505.15","0.03","150","0.2","150","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Cl N O -","- C17 H18 Cl N O -","- C68 H72 Cl4 N4 O4 -","4","1","","Campbell, Aaron D. G.; Roper, Natalie J.; Waddell, Paul G.; Wills, Corinne; Dixon, Casey M.; Denton, Ross M.; Ermanis, Kristaps; Armstrong, Roly J.","Synthesis, structure and stereodynamics of atropisomeric <i>N</i>-chloroamides.","Chemical communications (Cambridge, England)","2024","60","28","3818","3821","10.1039/d4cc00268g","","x-ray","1.54184","CuKα","","0.0259","0.0252","","","0.0649","0.0654","","","","","","1.046","","","","has coordinates","290802","2024-04-04","22:26:15",""
"7132818","6.66649","0.00019","9.4285","0.0003","10.2117","0.0003","93.58","0.002","96.362","0.002","93.083","0.002","635.47","0.03","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 Cl N O -","- C13 H18 Cl N O -","- C26 H36 Cl2 N2 O2 -","2","1","","Campbell, Aaron D. G.; Roper, Natalie J.; Waddell, Paul G.; Wills, Corinne; Dixon, Casey M.; Denton, Ross M.; Ermanis, Kristaps; Armstrong, Roly J.","Synthesis, structure and stereodynamics of atropisomeric <i>N</i>-chloroamides.","Chemical communications (Cambridge, England)","2024","60","28","3818","3821","10.1039/d4cc00268g","","x-ray","1.54184","CuKα","","0.0323","0.0304","","","0.0794","0.0812","","","","","","1.0393","","","","has coordinates","290802","2024-04-04","22:26:15",""
"7132819","10.212","0.003","11.708","0.005","12.522","0.004","106.885","0.01","100.518","0.014","90.377","0.011","1405.7","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H44 B N2 Si -","- C26 H44 B N2 Si -","- C52 H88 B2 N4 Si2 -","2","1","","Wang, Hanqiang","Synthesis, structure and reactivity of iminoborane radicals.","Chemical communications (Cambridge, England)","2024","60","28","3806","3809","10.1039/d4cc00720d","","","0.71073","MoKα","","0.099","0.075","","","0.2089","0.2334","","","","","","1.011","","","","has coordinates","290797","2024-04-04","22:25:06",""
"7132820","10.2572","0.0003","18.663","0.0005","19.5822","0.0005","90","","99.642","0.001","90","","3695.67","0.17","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H62 B N3 O Si -","- C35 H62 B N3 O Si -","- C140 H248 B4 N12 O4 Si4 -","4","1","","Wang, Hanqiang","Synthesis, structure and reactivity of iminoborane radicals.","Chemical communications (Cambridge, England)","2024","60","28","3806","3809","10.1039/d4cc00720d","","","1.54178","CuKα","","0.0547","0.0521","","","0.1526","0.1557","","","","","","1.059","","","","has coordinates","290797","2024-04-04","22:25:06",""
"7132821","16.1834","0.0014","30.376","0.003","17.5363","0.0015","90","","113.974","0.002","90","","7876.9","1.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H96 B2 N4 O2 Si2 -","- C66 H96 B2 N4 O2 Si2 -","- C264 H384 B8 N16 O8 Si8 -","4","0.5","","Wang, Hanqiang","Synthesis, structure and reactivity of iminoborane radicals.","Chemical communications (Cambridge, England)","2024","60","28","3806","3809","10.1039/d4cc00720d","","","0.71073","MoKα","","0.1885","0.0997","","","0.2803","0.35","","","","","","1.055","","","","has coordinates","290797","2024-04-04","22:25:06",""
"7132822","10.8147","0.0018","9.8903","0.0015","16.969","0.003","90","","104.319","0.006","90","","1758.6","0.5","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Cl3 O2 -","- C20 H15 Cl3 O2 -","- C80 H60 Cl12 O8 -","4","1","","Zhou, Hongxun; Li, Lijun; Yan, Qinqin; Ma, Jinyue; Wang, Ying; Gao, Yongjun; Liu, Zhong-Quan; Li, Zejiang","Metal-free radical bicyclization/chloroalkylarylation of 1,6-enynes with chloroalkanes.","Chemical communications (Cambridge, England)","2024","60","29","3938","3941","10.1039/d4cc00651h","","","0.71073","MoKα","","0.063","0.0528","","","0.1236","0.1314","","","","","","1.151","","","","has coordinates","291494","2024-05-05","00:34:14",""
"7132823","12.2366","0.0011","17.3994","0.0015","8.2782","0.0008","90","","102.186","0.004","90","","1722.8","0.3","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 O2 -","- C24 H16 O2 -","- C96 H64 O8 -","4","1","","Zhou, Hongxun; Li, Lijun; Yan, Qinqin; Ma, Jinyue; Wang, Ying; Gao, Yongjun; Liu, Zhong-Quan; Li, Zejiang","Metal-free radical bicyclization/chloroalkylarylation of 1,6-enynes with chloroalkanes.","Chemical communications (Cambridge, England)","2024","60","29","3938","3941","10.1039/d4cc00651h","","","0.71073","MoKα","","0.1004","0.0686","","","0.1453","0.163","","","","","","1.11","","","","has coordinates","291494","2024-05-05","00:34:22",""
"7132824","9.6677","0.0008","12.9019","0.0011","13.3368","0.0011","73.28","0.005","88.509","0.005","71.049","0.005","1502.7","0.2","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 Cl O -","- C19 H15 Cl O -","- C76 H60 Cl4 O4 -","4","2","","Zhou, Hongxun; Li, Lijun; Yan, Qinqin; Ma, Jinyue; Wang, Ying; Gao, Yongjun; Liu, Zhong-Quan; Li, Zejiang","Metal-free radical bicyclization/chloroalkylarylation of 1,6-enynes with chloroalkanes.","Chemical communications (Cambridge, England)","2024","60","29","3938","3941","10.1039/d4cc00651h","","","0.71073","MoKα","","0.164","0.0557","","","0.129","0.1659","","","","","","1.022","","","","has coordinates","292638","2024-06-28","09:33:36",""
"7132825","7.8069","0.0014","7.8757","0.0008","11.9902","0.0016","77.783","0.01","85.879","0.013","77.735","0.011","703.79","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 Br2 N3 Zn -","- C12 H11 Br2 N3 Zn -","- C24 H22 Br4 N6 Zn2 -","2","1","","Samanta, Arup; Behera, Prativa; Chaubey, Amit; Mondal, Avijit; Pal, Debjyoti; Mohar, Kailash; Roy, Lisa; Srimani, Dipankar","Experimental and theoretical insights for designing Zn<sup>2+</sup> complexes to trigger chemo-selective hetero-coupling of alcohols.","Chemical communications (Cambridge, England)","2024","60","30","4056","4059","10.1039/d4cc00864b","","x-ray","0.71073","MoKα","","0.1565","0.0817","","","0.1732","0.2279","","","","","","0.976","","","","has coordinates","291537","2024-05-05","01:06:07",""
"7132826","7.852","0.0004","10.8828","0.0006","11.3769","0.0006","75.796","0.002","74.568","0.002","76.283","0.002","892.99","0.08","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H17 Br2 N3 S Zn -","- C14 H17 Br2 N3 S Zn -","- C28 H34 Br4 N6 S2 Zn2 -","2","1","","Samanta, Arup; Behera, Prativa; Chaubey, Amit; Mondal, Avijit; Pal, Debjyoti; Mohar, Kailash; Roy, Lisa; Srimani, Dipankar","Experimental and theoretical insights for designing Zn<sup>2+</sup> complexes to trigger chemo-selective hetero-coupling of alcohols.","Chemical communications (Cambridge, England)","2024","60","30","4056","4059","10.1039/d4cc00864b","","","0.71073","MoKα","","0.0377","0.0336","","","0.0851","0.0877","","","","","","1.094","","","","has coordinates","291537","2024-05-05","01:06:11",""
"7132827","7.5172","0.0017","10.647","0.002","13.487","0.003","105.076","0.007","92.008","0.007","109.849","0.007","971.3","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H19 Br2 N3 O S Zn -","- C15 H18 Br2 N3 O S Zn -","- C30 H36 Br4 N6 O2 S2 Zn2 -","2","1","","Samanta, Arup; Behera, Prativa; Chaubey, Amit; Mondal, Avijit; Pal, Debjyoti; Mohar, Kailash; Roy, Lisa; Srimani, Dipankar","Experimental and theoretical insights for designing Zn<sup>2+</sup> complexes to trigger chemo-selective hetero-coupling of alcohols.","Chemical communications (Cambridge, England)","2024","60","30","4056","4059","10.1039/d4cc00864b","","","0.71073","MoKα","","0.0529","0.0432","","","0.1247","0.1376","","","","","","0.931","","","","has coordinates","291537","2024-05-05","01:06:11",""
"7132828","7.3412","0.0013","19.033","0.003","13.475","0.002","90","","98.398","0.005","90","","1862.6","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Br2 N3 O S Zn -","- C15 H17 Br2 N3 O S Zn -","- C60 H68 Br8 N12 O4 S4 Zn4 -","4","1","","Samanta, Arup; Behera, Prativa; Chaubey, Amit; Mondal, Avijit; Pal, Debjyoti; Mohar, Kailash; Roy, Lisa; Srimani, Dipankar","Experimental and theoretical insights for designing Zn<sup>2+</sup> complexes to trigger chemo-selective hetero-coupling of alcohols.","Chemical communications (Cambridge, England)","2024","60","30","4056","4059","10.1039/d4cc00864b","","","0.71073","MoKα","","0.063","0.0414","","","0.0921","0.1133","","","","","","1.104","","","","has coordinates","291537","2024-05-05","01:06:11",""
"7132829","8.2719","0.0011","10.9748","0.0014","14.3779","0.0018","91.073","0.002","98.225","0.002","110.945","0.002","1203","0.3","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 Cl N3 O5 -","- C26 H26 Cl N3 O5 -","- C52 H52 Cl2 N6 O10 -","2","1","","Li, Ming-Jun; Lu, Ming-Ming; Xu, Peng; Chen, Si-Qi; Wu, Luan-Ting; Zhang, Ze; Xu, Hui","Chemodivergent mechanosynthesis of cyclopentenyl and pyrrolinyl spirobarbiturates from unsaturated barbiturates and enamino esters.","Chemical communications (Cambridge, England)","2024","60","29","3958","3961","10.1039/d3cc06327e","","","0.71073","MoKα","","0.0686","0.0474","","","0.122","0.1297","","","","","","1.057","","","","has coordinates","291496","2024-05-05","00:35:53",""
"7132830","11.0881","0.0008","11.9277","0.0009","12.1514","0.0009","115.124","0.002","105.133","0.003","100.196","0.003","1326.22","0.18","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C28.01 H30.01 Br N3 O5 -","- C28 H30 Br N3 O5 -","- C56 H60 Br2 N6 O10 -","2","1","","Li, Ming-Jun; Lu, Ming-Ming; Xu, Peng; Chen, Si-Qi; Wu, Luan-Ting; Zhang, Ze; Xu, Hui","Chemodivergent mechanosynthesis of cyclopentenyl and pyrrolinyl spirobarbiturates from unsaturated barbiturates and enamino esters.","Chemical communications (Cambridge, England)","2024","60","29","3958","3961","10.1039/d3cc06327e","","","0.71073","MoKα","","0.0609","0.0415","","","0.1067","0.1144","","","","","","1.051","","","","has coordinates,has disorder","291496","2024-05-05","00:36:00",""
"7132831","17.46","0.02","22.68","0.03","14.222","0.019","90","","95.69","0.04","90","","5604","12","202.2","","202.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C98 H72 Cl4 Cu2 F20 N8 -","- C78 H26 Cu2 F20 N8 -","- C156 H52 Cu4 F40 N16 -","2","0.5","","Dong, Yuting; Qian, Long; Chen, Feng; Wang, Yue; Zhang, Tao; Qiu, Fengxian; Teranishi, Toshiharu; Xue, Songlin","Benzene-fused porphyrin(2.1.2.1) array: synthesis, structure, and electrocatalytic hydrogen evolution.","Chemical communications (Cambridge, England)","2024","60","29","3986","3989","10.1039/d4cc00267a","","x-ray","0.71073","MoKα","","0.1419","0.1163","","","0.3117","0.3325","","","","","","1.058","","","","has coordinates,has disorder","291495","2024-05-05","00:35:16",""
"7132832","19.2019","0.0004","13.9245","0.0003","28.2926","0.0005","90","","90","","90","","7564.8","0.3","193","","193","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H17 F3 N2 O4 S -","- C19 H17 F3 N2 O4 S -","- C304 H272 F48 N32 O64 S16 -","16","2","","Lou, Mingliang; Liu, Xiaolei; Han, Shoule; Bai, Songlin; Qi, Xiangbing","Total synthesis of (±)-3-demethoxyerythratidinone <i>via</i> Tf<sub>2</sub>O-promoted cascade reaction of enaminone.","Chemical communications (Cambridge, England)","2024","60","28","3842","3845","10.1039/d3cc06270h","","","1.54178","CuKα","","0.0427","0.0381","","","0.1009","0.1046","","","","","","1.062","","","","has coordinates","290806","2024-04-04","22:27:09",""
"7132833","19.421","0.0001","13.8099","0.0001","27.8614","0.0002","90","","90","","90","","7472.49","0.09","99.9","0.4","99.9","0.4","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H17 F3 N2 O4 S -","- C18 H17 F3 N2 O4 S -","- C288 H272 F48 N32 O64 S16 -","16","2","","Lou, Mingliang; Liu, Xiaolei; Han, Shoule; Bai, Songlin; Qi, Xiangbing","Total synthesis of (±)-3-demethoxyerythratidinone <i>via</i> Tf<sub>2</sub>O-promoted cascade reaction of enaminone.","Chemical communications (Cambridge, England)","2024","60","28","3842","3845","10.1039/d3cc06270h","","x-ray","1.54184","CuKα","","0.0559","0.0518","","","0.1294","0.1334","","","","","","1.063","","","","has coordinates,has disorder","290806","2024-04-04","22:27:09",""
"7132834","15.3045","0.0007","8.8087","0.0004","13.3399","0.0006","90","","98.687","0.001","90","","1777.76","0.14","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O4.5 V -","- C20 H17.5 N2 O4.5 V -","- C80 H70 N8 O18 V4 -","4","1","","Fujita, Masaki; Haketa, Yohei; Seki, Shu; Maeda, Hiromitsu","Substitution-pattern- and counteranion-dependent ion-pairing assemblies of heteroporphyrin-based π-electronic cations.","Chemical communications (Cambridge, England)","2024","60","31","4190","4193","10.1039/d4cc00806e","","","0.71073","MoKα","","0.0363","0.0319","","","0.0865","0.0912","","","","","","1.075","","","","has coordinates","291540","2024-05-05","01:08:34",""
"7132835","13.3831","0.0003","7.1785","0.0002","26.0801","0.0005","90","","93.166","0.002","90","","2501.71","0.1","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C55.66 H21.3 Cl3.31 F10 N8 Pd S -","- C55.653 H21.306 Cl3.306 F10 N8 Pd S -","- C111.306 H42.612 Cl6.612 F20 N16 Pd2 S2 -","2","1","","Fujita, Masaki; Haketa, Yohei; Seki, Shu; Maeda, Hiromitsu","Substitution-pattern- and counteranion-dependent ion-pairing assemblies of heteroporphyrin-based π-electronic cations.","Chemical communications (Cambridge, England)","2024","60","31","4190","4193","10.1039/d4cc00806e","","","0.812","Synchrotron","","0.0642","0.0537","","","0.1382","0.1423","","","","","","1.029","","","","has coordinates,has disorder","291540","2024-05-05","01:08:41",""
"7132836","9.276","0.008","14.42","0.02","15.664","0.013","112.75","0.04","91.73","0.03","91.28","0.03","1930","4","90","2","90","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H29 B Cl3 F4 N3 Pd S -","- C45 H29 B Cl3 F4 N3 Pd S -","- C90 H58 B2 Cl6 F8 N6 Pd2 S2 -","2","1","","Fujita, Masaki; Haketa, Yohei; Seki, Shu; Maeda, Hiromitsu","Substitution-pattern- and counteranion-dependent ion-pairing assemblies of heteroporphyrin-based π-electronic cations.","Chemical communications (Cambridge, England)","2024","60","31","4190","4193","10.1039/d4cc00806e","","","0.4144","Synchrotron","","0.0636","0.0494","","","0.1132","0.1203","","","","","","1.038","","","","has coordinates,has disorder","291540","2024-05-05","01:08:41",""
"7132837","13.546","0.0001","27.1678","0.0003","16.8019","0.0002","90","","99.633","0.001","90","","6096.17","0.11","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C74 H42 B F20 N3 Pd S -","- C74 H42 B F20 N3 Pd S -","- C296 H168 B4 F80 N12 Pd4 S4 -","4","1","","Fujita, Masaki; Haketa, Yohei; Seki, Shu; Maeda, Hiromitsu","Substitution-pattern- and counteranion-dependent ion-pairing assemblies of heteroporphyrin-based π-electronic cations.","Chemical communications (Cambridge, England)","2024","60","31","4190","4193","10.1039/d4cc00806e","","","0.8125","Synchrotron","","0.0642","0.0467","","","0.1175","0.1249","","","","","","1.024","","","","has coordinates,has disorder","291540","2024-05-05","01:08:41",""
"7132838","13.77","0.0011","16.0819","0.0018","19.035","0.002","90","","90.479","0.006","90","","4215.1","0.7","90","2","90","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H32 Cl4 F6 N3 P Pd S -","- C44 H28 F6 N3 P Pd S -","- C176 H112 F24 N12 P4 Pd4 S4 -","4","1","","Fujita, Masaki; Haketa, Yohei; Seki, Shu; Maeda, Hiromitsu","Substitution-pattern- and counteranion-dependent ion-pairing assemblies of heteroporphyrin-based π-electronic cations.","Chemical communications (Cambridge, England)","2024","60","31","4190","4193","10.1039/d4cc00806e","","","0.80977","Synchrotron","","0.0632","0.0592","","","0.1456","0.149","","","","","","1.141","","","","has coordinates,has disorder","291540","2024-05-05","01:08:41",""
"7132839","14.7468","0.0004","17.6065","0.0004","20.521","0.0004","69.671","0.002","82.618","0.002","65.328","0.002","4539.2","0.2","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H29 Cl3 N8 Pd S -","- C55 H29 Cl3 N8 Pd S -","- C220 H116 Cl12 N32 Pd4 S4 -","4","2","","Fujita, Masaki; Haketa, Yohei; Seki, Shu; Maeda, Hiromitsu","Substitution-pattern- and counteranion-dependent ion-pairing assemblies of heteroporphyrin-based π-electronic cations.","Chemical communications (Cambridge, England)","2024","60","31","4190","4193","10.1039/d4cc00806e","","","0.8107","Synchrotron","","0.0892","0.0822","","","0.1797","0.1853","","","","","","1.039","","","","has coordinates,has disorder","291540","2024-05-05","01:08:41",""
"7132840","28.14","0.011","14.513","0.009","20.554","0.01","90","","90","","90","","8394","7","90","2","90","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C47 H20.5 Cl0.5 F16 N3 P Pd S -","- C47 H20.5 Cl0.5 F16 N3 P Pd S -","- C376 H164 Cl4 F128 N24 P8 Pd8 S8 -","8","2","","Fujita, Masaki; Haketa, Yohei; Seki, Shu; Maeda, Hiromitsu","Substitution-pattern- and counteranion-dependent ion-pairing assemblies of heteroporphyrin-based π-electronic cations.","Chemical communications (Cambridge, England)","2024","60","31","4190","4193","10.1039/d4cc00806e","","","0.4136","Synchrotron","","0.0394","0.0364","","","0.0914","0.093","","","","","","1.017","","","","has coordinates","291540","2024-05-05","01:08:41",""
"7132841","10.1083","0.0001","14.7871","0.0002","22.9034","0.0002","90","","91.199","0.001","90","","3422.68","0.06","100","0.16","100","0.16","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C20 H26 O4 -","- C20 H26 O4 -","- C160 H208 O32 -","8","1","","Koyama, Ryosei; Anada, Masahiro; Sueki, Shunsuke; Makino, Kosho; Kojima, Tatsuhiro; Kawasaki-Takasuka, Tomoko; Mori, Keiji","Divergent synthesis of multi-substituted phenanthrenes <i>via</i> an internal redox reaction/ring expansion sequence.","Chemical communications (Cambridge, England)","2024","60","28","3822","3825","10.1039/d4cc00797b","","x-ray","1.54184","CuKα","","0.0371","0.0352","","","0.0883","0.0899","","","","","","1.081","","","","has coordinates","290804","2024-04-04","22:26:36",""
"7132842","9.864","0.0001","9.8656","0.0001","16.5931","0.0002","105.165","0.001","97.065","0.001","105.295","0.001","1471","0.03","101","1","101","1","","","","","","","","3","P -1","-P 1","2","","","","- C18 H24 O2 -","- C18 H24 O2 -","- C72 H96 O8 -","4","2","","Koyama, Ryosei; Anada, Masahiro; Sueki, Shunsuke; Makino, Kosho; Kojima, Tatsuhiro; Kawasaki-Takasuka, Tomoko; Mori, Keiji","Divergent synthesis of multi-substituted phenanthrenes <i>via</i> an internal redox reaction/ring expansion sequence.","Chemical communications (Cambridge, England)","2024","60","28","3822","3825","10.1039/d4cc00797b","","x-ray","1.54184","CuKα","","0.0416","0.0378","","","0.0993","0.1024","","","","","","1.029","","","","has coordinates,has disorder","290804","2024-04-04","22:26:37",""
"7132843","17.7637","0.0006","15.582","0.0005","7.0233","0.0003","90","","95.518","0.003","90","","1935","0.12","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H15 Br O2 -","- C27 H15 Br O2 -","- C108 H60 Br4 O8 -","4","1","","Nishimoto, Mikey; Uetake, Yuta; Yakiyama, Yumi; Sakurai, Hidehiro","Strain-induced carbon-carbon bond cleavage of bowl-shaped sumanenone.","Chemical communications (Cambridge, England)","2024","60","29","3982","3985","10.1039/d4cc00008k","","","1.54184","CuKα","","0.1339","0.1178","","","0.363","0.389","","","","","","1.68","","","","has coordinates,has disorder","291500","2024-05-05","00:39:52",""
"7132844","8.1213","0.0007","11.1938","0.0009","13.6325","0.0011","90","","90","","90","","1239.31","0.18","298","2","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 N3 O2 -","- C14 H11 N3 O2 -","- C56 H44 N12 O8 -","4","1","","Bhattacharjee, Suvam; Hajra, Alakananda","Site-selective direct nitration of 2<i>H</i>-indazoles: easy access to 7-nitroindazoles.","Chemical communications (Cambridge, England)","2024","60","30","4076","4079","10.1039/d4cc00214h","","","0.71073","MoKα","","0.0318","0.03","","","0.0761","0.0781","","","","","","1.093","","","","has coordinates","291534","2024-05-05","01:04:06",""
"7132845","15.5452","0.001","15.3097","0.001","17.8477","0.0012","90","","97.496","0.002","90","","4211.3","0.5","293.15","","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H61 N4 P2 Sc Si -","- C38 H61 N4 P2 Sc Si -","- C152 H244 N16 P8 Sc4 Si4 -","4","1","","Ma, Lei; Pan, Xiaowei; Hong, Dongjing; Fang, Huayi; Cui, Peng","A scandium metalloligand supported Ni(0) complex with a heterobimetallocycle: versatile reactivity with unsaturated bonds.","Chemical communications (Cambridge, England)","2024","60","31","4222","4225","10.1039/d4cc00547c","","x-ray","0.71073","MoKα","","0.126","0.0746","","","0.1752","0.2012","","","","","","1.087","","","","has coordinates,has disorder","291538","2024-05-05","01:07:00",""
"7132846","12.49","0.006","12.54","0.006","13.517","0.006","65.861","0.006","73.439","0.006","76.945","0.006","1837.3","1.5","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C73 H110 N10 Ni2 P4 Sc2 -","- C73 H110 N10 Ni2 P4 Sc2 -","- C73 H110 N10 Ni2 P4 Sc2 -","1","0.5","","Ma, Lei; Pan, Xiaowei; Hong, Dongjing; Fang, Huayi; Cui, Peng","A scandium metalloligand supported Ni(0) complex with a heterobimetallocycle: versatile reactivity with unsaturated bonds.","Chemical communications (Cambridge, England)","2024","60","31","4222","4225","10.1039/d4cc00547c","","x-ray","0.71073","MoKα","","0.0741","0.0452","","","0.1038","0.1138","","","","","","1.032","","","","has coordinates,has disorder","291538","2024-05-05","01:07:03",""
"7132847","10.9882","0.0014","11.7463","0.0015","18.988","0.002","74.157","0.002","89.563","0.002","72.84","0.002","2245.6","0.5","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H59 N6 Ni P2 Sc -","- C46 H59 N6 Ni P2 Sc -","- C92 H118 N12 Ni2 P4 Sc2 -","2","1","","Ma, Lei; Pan, Xiaowei; Hong, Dongjing; Fang, Huayi; Cui, Peng","A scandium metalloligand supported Ni(0) complex with a heterobimetallocycle: versatile reactivity with unsaturated bonds.","Chemical communications (Cambridge, England)","2024","60","31","4222","4225","10.1039/d4cc00547c","","x-ray","0.71073","MoKα","","0.092","0.0459","","","0.0934","0.1092","","","","","","1.023","","","","has coordinates,has disorder","291538","2024-05-05","01:07:03",""
"7132848","11.122","0.002","11.696","0.002","16.447","0.003","101.88","0.003","96.172","0.003","90.996","0.003","2079.8","0.6","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H57 N4 Ni P2 Sc -","- C43 H57 N4 Ni P2 Sc -","- C86 H114 N8 Ni2 P4 Sc2 -","2","1","","Ma, Lei; Pan, Xiaowei; Hong, Dongjing; Fang, Huayi; Cui, Peng","A scandium metalloligand supported Ni(0) complex with a heterobimetallocycle: versatile reactivity with unsaturated bonds.","Chemical communications (Cambridge, England)","2024","60","31","4222","4225","10.1039/d4cc00547c","","x-ray","0.71073","MoKα","","0.1561","0.0607","","","0.1091","0.1395","","","","","","0.954","","","","has coordinates,has disorder","291538","2024-05-05","01:07:03",""
"7132849","10.142","0.014","10.213","0.012","23.78","0.03","77.96","0.03","79.02","0.04","81.49","0.05","2350","5","293.15","","293.15","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H68 N5 Ni O1.5 P2 Sc -","- C48 H68 N5 Ni O1.5 P2 Sc -","- C96 H136 N10 Ni2 O3 P4 Sc2 -","2","1","","Ma, Lei; Pan, Xiaowei; Hong, Dongjing; Fang, Huayi; Cui, Peng","A scandium metalloligand supported Ni(0) complex with a heterobimetallocycle: versatile reactivity with unsaturated bonds.","Chemical communications (Cambridge, England)","2024","60","31","4222","4225","10.1039/d4cc00547c","","x-ray","0.71073","MoKα","","0.1134","0.0662","","","0.1493","0.1748","","","","","","1.059","","","","has coordinates,has disorder","291538","2024-05-05","01:07:03",""
"7132850","28.918","0.006","11.542","0.002","36.001","0.007","90","","109.45","0.03","90","","11330","4","293.15","","293.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C118 H142 N10 Ni2 O2 P4 Sc2 -","- C118 H142 N10 Ni2 O2 P4 Sc2 -","- C472 H568 N40 Ni8 O8 P16 Sc8 -","4","0.5","","Ma, Lei; Pan, Xiaowei; Hong, Dongjing; Fang, Huayi; Cui, Peng","A scandium metalloligand supported Ni(0) complex with a heterobimetallocycle: versatile reactivity with unsaturated bonds.","Chemical communications (Cambridge, England)","2024","60","31","4222","4225","10.1039/d4cc00547c","","x-ray","0.71073","MoKα","","0.1479","0.052","","","0.1171","0.1473","","","","","","0.96","","","","has coordinates,has disorder","291538","2024-05-05","01:07:03",""
"7132851","12.237","0.015","13.83","0.02","15.21","0.02","68.64","0.05","72.04","0.03","64.89","0.03","2134","5","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H58 N5 Ni P2 Sc -","- C43 H58 N5 Ni P2 Sc -","- C86 H116 N10 Ni2 P4 Sc2 -","2","1","","Ma, Lei; Pan, Xiaowei; Hong, Dongjing; Fang, Huayi; Cui, Peng","A scandium metalloligand supported Ni(0) complex with a heterobimetallocycle: versatile reactivity with unsaturated bonds.","Chemical communications (Cambridge, England)","2024","60","31","4222","4225","10.1039/d4cc00547c","","x-ray","0.71073","MoKα","","0.1178","0.0626","","","0.1243","0.1478","","","","","","1.048","","","","has coordinates","291538","2024-05-05","01:07:03",""
"7132852","10.0187","0.0006","15.8815","0.001","10.6953","0.0007","90","","99.728","0.002","90","","1677.28","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","1","","Karjee, Pallab; Debnath, Bijoy; Mandal, Santu; Saha, Sharajit; Punniyamurthy, Tharmalingam","One-pot C-N/C-C bond formation and oxidation of donor-acceptor cyclopropanes with tetrahydroisoquinolines: access to benzo-fused indolizines.","Chemical communications (Cambridge, England)","2024","60","30","4068","4071","10.1039/d4cc00810c","","","0.71073","MoKα","","0.1009","0.064","","","0.185","0.2209","","","","","","0.853","","","","has coordinates","291536","2024-05-05","01:05:33",""
"7132853","9.08906","0.00016","9.90544","0.00018","20.1477","0.0004","90","","92.251","0.007","90","","1812.52","0.06","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 O5 -","- C22 H20 O5 -","- C88 H80 O20 -","4","1","","Nambu, Hisanori; Onuki, Yuta; Aso, Kana; Kanamori, Momoka; Tomohara, Keisuke; Tsuge, Kiyoshi; Yakura, Takayuki","Ring expansion of spirocyclopropanes with stabilized sulfonium ylides: highly diastereoselective synthesis of cyclobutanes.","Chemical communications (Cambridge, England)","2024","60","34","4537","4540","10.1039/d3cc06033k","","","1.54187","CuKα","","0.0358","0.0337","","","0.0813","0.0826","","","","","","1.069","","","","has coordinates","291552","2024-05-05","01:17:19",""
"7132854","8.1483","0.0007","18.778","0.0015","9.9744","0.0008","90","","98.77","0.003","90","","1508.3","0.2","298","2","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Naphthylidene butenolide","","- C21 H14 O2 -","- C21 H14 O2 -","- C84 H56 O8 -","4","1","","Gopalakrishnan, Dinesh Kumar; Bhardwaj, Srashti; Kumar, Sandeep; Karmakar, Tarak; Vaitla, Janakiram","Carbene-mediated stereoselective olefination of vinyl sulfoxonium ylides with diazo compounds and acetals.","Chemical communications (Cambridge, England)","2024","60","28","3846","3849","10.1039/d4cc00450g","","","0.71073","MoKα","","0.1118","0.0585","","","0.1137","0.1262","","","","","","1.05","","","","has coordinates","290799","2024-04-04","22:25:27",""
"7132855","8.487","0.001","10.1115","0.0012","10.5324","0.0011","91.975","0.004","93.296","0.004","108.179","0.004","856.01","0.17","298","2","298","","","","","","","","","3","P -1","-P 1","2","","Dienoate","","- C21 H18 O4 -","- C21 H18 O4 -","- C42 H36 O8 -","2","1","","Gopalakrishnan, Dinesh Kumar; Bhardwaj, Srashti; Kumar, Sandeep; Karmakar, Tarak; Vaitla, Janakiram","Carbene-mediated stereoselective olefination of vinyl sulfoxonium ylides with diazo compounds and acetals.","Chemical communications (Cambridge, England)","2024","60","28","3846","3849","10.1039/d4cc00450g","","","0.71073","MoKα","","0.0742","0.0508","","","0.1452","0.1675","","","","","","1.003","","","","has coordinates","290799","2024-04-04","22:25:28",""
"7132856","18.9481","0.0005","18.9481","0.0005","29.4882","0.0012","90","","90","","120","","9168.8","0.5","193","2","193","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","","- C27 H50 Mn3 N6 O53 P W9 -","- C21 H9 Mn3 N3 O54.175 P W9 -","- C84 H36 Mn12 N12 O216.7 P4 W36 -","4","0.666667","","Liu, Fangcheng; Han, Shicheng; Dong, Liwei; Fang, Xikui","Functionalized polyoxometalates enable fast ion transport in solid-state batteries at room temperature.","Chemical communications (Cambridge, England)","2024","60","31","4198","4201","10.1039/d4cc00896k","","","1.34139","GaKα","","0.0427","0.0381","","","0.1083","0.1111","","","","","","1.073","","","","has coordinates,has disorder","291539","2024-05-05","01:07:32",""
"7132857","11.5667","0.0013","5.2499","0.0006","12.1291","0.0014","90","","117.369","0.003","90","","654.08","0.13","205","","205","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H18 O -","- C17 H18 O -","- C34 H36 O2 -","2","1","","Wang, Kun; Niu, Saisai; Tang, Weijun; Xue, Dong; Xiao, Jianliang; Li, Hongfeng; Wang, Chao","Ru-catalyzed asymmetric hydrogenation of α,β-unsaturated ketones <i>via</i> a hydrogenation/isomerization cascade.","Chemical communications (Cambridge, England)","2024","60","32","4338","4341","10.1039/d4cc00356j","","","1.54178","CuKα","","0.0633","0.0627","","","0.1636","0.1646","","","","","","1.151","","","","has coordinates","291515","2024-05-05","00:51:55",""
"7132858","12.4586","0.0002","9.2797","0.0002","13.4386","0.0003","90","","105.661","0.002","90","","1495.99","0.05","476","200","300","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H45 F5 O2 -","- C30 H45 F5 O2 -","- C60 H90 F10 O4 -","2","1","","Jiang, Huan-Huan; Zhang, Nan; Mao, Wei-Xin; Lan, Jin-Fei; Zhou, Long-Xing; Xu, Hua-Ming; Zhang, Han-Yue; Liao, Wei-Qiang","Modulating the ferroelectric phases in cholesteryl-based organic compounds with perfluoroalkyl tail engineering.","Chemical communications (Cambridge, England)","2024","60","32","4322","4325","10.1039/d4cc00840e","","x-ray","1.54184","CuKα","","0.0628","0.0577","","","0.1755","0.184","","","","","","1.075","","","","has coordinates,has disorder","291523","2024-05-05","00:57:16",""
"7132859","12.9607","0.0004","8.8159","0.0002","13.5926","0.0004","90","","106.421","0.003","90","","1489.74","0.08","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H45 F7 O2 -","- C31 H45 F7 O2 -","- C62 H90 F14 O4 -","2","1","","Jiang, Huan-Huan; Zhang, Nan; Mao, Wei-Xin; Lan, Jin-Fei; Zhou, Long-Xing; Xu, Hua-Ming; Zhang, Han-Yue; Liao, Wei-Qiang","Modulating the ferroelectric phases in cholesteryl-based organic compounds with perfluoroalkyl tail engineering.","Chemical communications (Cambridge, England)","2024","60","32","4322","4325","10.1039/d4cc00840e","","x-ray","1.54184","CuKα","","0.0533","0.0527","","","0.1423","0.143","","","","","","1.062","","","","has coordinates","291523","2024-05-05","00:57:19",""
"7132860","12.299","0.0006","9.2607","0.0005","14.5611","0.0009","90","","94.027","0.005","90","","1654.38","0.16","299.1","0.6","299.1","0.6","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H45 F9 O2 -","- C32 H45 F9 O2 -","- C64 H90 F18 O4 -","2","1","","Jiang, Huan-Huan; Zhang, Nan; Mao, Wei-Xin; Lan, Jin-Fei; Zhou, Long-Xing; Xu, Hua-Ming; Zhang, Han-Yue; Liao, Wei-Qiang","Modulating the ferroelectric phases in cholesteryl-based organic compounds with perfluoroalkyl tail engineering.","Chemical communications (Cambridge, England)","2024","60","32","4322","4325","10.1039/d4cc00840e","","x-ray","1.54184","CuKα","","0.0991","0.0811","","","0.226","0.2564","","","","","","1.031","","","","has coordinates,has disorder","291523","2024-05-05","00:57:19",""
"7132861","12.7803","0.0005","9.3254","0.0004","13.7005","0.0007","90","","104.745","0.005","90","","1579.07","0.13","300","2","300","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H45 F7 O2 -","- C31 H45 F7 O2 -","- C62 H90 F14 O4 -","2","1","","Jiang, Huan-Huan; Zhang, Nan; Mao, Wei-Xin; Lan, Jin-Fei; Zhou, Long-Xing; Xu, Hua-Ming; Zhang, Han-Yue; Liao, Wei-Qiang","Modulating the ferroelectric phases in cholesteryl-based organic compounds with perfluoroalkyl tail engineering.","Chemical communications (Cambridge, England)","2024","60","32","4322","4325","10.1039/d4cc00840e","","","1.54184","CuKα","","0.0947","0.0781","","","0.241","0.274","","","","","","1.031","","","","has coordinates,has disorder","291523","2024-05-05","00:57:19",""
"7132862","9.236","0.0004","12.542","0.0004","29.3792","0.001","90","","90","","90","","3403.2","0.2","295","5","295","5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H45 F11 O2 -","- C33 H45 F11 O2 -","- C132 H180 F44 O8 -","4","1","","Jiang, Huan-Huan; Zhang, Nan; Mao, Wei-Xin; Lan, Jin-Fei; Zhou, Long-Xing; Xu, Hua-Ming; Zhang, Han-Yue; Liao, Wei-Qiang","Modulating the ferroelectric phases in cholesteryl-based organic compounds with perfluoroalkyl tail engineering.","Chemical communications (Cambridge, England)","2024","60","32","4322","4325","10.1039/d4cc00840e","","x-ray","1.54184","CuKα","","0.0952","0.0817","","","0.2499","0.2702","","","","","","1.057","","","","has coordinates,has disorder","291523","2024-05-05","00:57:19",""
"7132863","13.3455","0.0003","8.8735","0.0002","14.404","0.0003","90","","90.499","0.002","90","","1705.68","0.06","172.99","0.1","172.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H45 F13 O2 -","- C34 H45 F13 O2 -","- C68 H90 F26 O4 -","2","1","","Jiang, Huan-Huan; Zhang, Nan; Mao, Wei-Xin; Lan, Jin-Fei; Zhou, Long-Xing; Xu, Hua-Ming; Zhang, Han-Yue; Liao, Wei-Qiang","Modulating the ferroelectric phases in cholesteryl-based organic compounds with perfluoroalkyl tail engineering.","Chemical communications (Cambridge, England)","2024","60","32","4322","4325","10.1039/d4cc00840e","","x-ray","1.54184","CuKα","","0.0526","0.0478","","","0.1367","0.1425","","","","","","1.065","","","","has coordinates","291523","2024-05-05","00:57:19",""
"7132864","11.1453","0.0001","21.6411","0.0001","16.4519","0.0001","90","","99.62","0.001","90","","3912.34","0.05","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H53 Ca I N2 O2 -","- C44 H53 Ca I N2 O2 -","- C176 H212 Ca4 I4 N8 O8 -","4","1","","Mondal, Sumana; Sarkar, Subham; Mandal, Chhotan; Mallick, Dibyendu; Mukherjee, Debabrata","Fluorenyl-tethered N-heterocyclic carbene (NHC): an exclusive C-donor ligand for heteroleptic calcium and strontium chemistry.","Chemical communications (Cambridge, England)","2024","60","34","4553","4556","10.1039/d4cc00397g","","x-ray","1.54184","CuKα","","0.0247","0.0234","","","0.0596","0.0604","","","","","","1.058","","","","has coordinates,has disorder","291553","2024-05-05","01:18:02",""
"7132865","11.1365","0.0001","21.9592","0.0001","16.4408","0.0001","90","","99.267","0.001","90","","3968.1","0.05","100.7","0.8","101.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H53 I N2 O2 Sr -","- C44 H53 I N2 O2 Sr -","- C176 H212 I4 N8 O8 Sr4 -","4","1","","Mondal, Sumana; Sarkar, Subham; Mandal, Chhotan; Mallick, Dibyendu; Mukherjee, Debabrata","Fluorenyl-tethered N-heterocyclic carbene (NHC): an exclusive C-donor ligand for heteroleptic calcium and strontium chemistry.","Chemical communications (Cambridge, England)","2024","60","34","4553","4556","10.1039/d4cc00397g","","","1.54184","CuKα","","0.0353","0.0343","","","0.0909","0.0917","","","","","","1.058","","","","has coordinates,has disorder","291553","2024-05-05","01:18:07",""
"7132866","22.9542","0.0003","9.945","0.0001","37.2321","0.0004","90","","105.936","0.001","90","","8172.69","0.17","100.01","0.11","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","SM-465","","- C40 H57 N3 O Si2 Sr -","- C40 H57 N3 O Si2 Sr -","- C320 H456 N24 O8 Si16 Sr8 -","8","1","","Mondal, Sumana; Sarkar, Subham; Mandal, Chhotan; Mallick, Dibyendu; Mukherjee, Debabrata","Fluorenyl-tethered N-heterocyclic carbene (NHC): an exclusive C-donor ligand for heteroleptic calcium and strontium chemistry.","Chemical communications (Cambridge, England)","2024","60","34","4553","4556","10.1039/d4cc00397g","","","1.54184","CuKα","","0.0588","0.0568","","","0.1785","0.1803","","","","","","1.057","","","","has coordinates","291553","2024-05-05","01:18:07",""
"7132867","21.9451","0.0002","9.6032","0.0001","35.7576","0.0003","90","","105.893","0.001","90","","7247.62","0.12","100.01","0.11","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35.99 H48.98 Ca N3 Si2 -","- C35.994 H48.982 Ca N3 Si2 -","- C287.952 H391.856 Ca8 N24 Si16 -","8","1","","Mondal, Sumana; Sarkar, Subham; Mandal, Chhotan; Mallick, Dibyendu; Mukherjee, Debabrata","Fluorenyl-tethered N-heterocyclic carbene (NHC): an exclusive C-donor ligand for heteroleptic calcium and strontium chemistry.","Chemical communications (Cambridge, England)","2024","60","34","4553","4556","10.1039/d4cc00397g","","","1.54184","CuKα","","0.0401","0.0394","","","0.1002","0.1007","","","","","","1.042","","","","has coordinates","291553","2024-05-05","01:18:07",""
"7132868","14.2019","0.0009","21.4417","0.0013","19.1515","0.0013","90","","98.888","0.007","90","","5761.9","0.6","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C88 H64 N16 Pt2 -","- C88 H64 N16 Pt2 -","- C176 H128 N32 Pt4 -","2","0.25","","van Hilst, Quinn V. C.; Pearcy, Aston C.; Preston, Dan; Wright, L. James; Hartinger, Christian G.; Brooks, Heather J. L.; Crowley, James D.","A dynamic covalent approach to [Pt<sub><i>n</i></sub>L<sub>2<i>n</i></sub>]<sup>2<i>n</i>+</sup> cages.","Chemical communications (Cambridge, England)","2024","60","32","4302","4305","10.1039/d4cc00323c","","x-ray","1.54184","CuKα","","0.0713","0.051","","","0.1081","0.1179","","","","","","0.901","","","","has coordinates","291521","2024-05-05","00:55:27",""
"7132869","11.1598","0.0004","14.8934","0.0005","17.8869","0.0006","87.192","0.003","75.514","0.003","86.266","0.003","2870.67","0.18","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C100 H80 B4 F16 N16 Pt2 -","- C100 H80 B4 F16 N16 Pt2 -","- C100 H80 B4 F16 N16 Pt2 -","1","0.5","","van Hilst, Quinn V. C.; Pearcy, Aston C.; Preston, Dan; Wright, L. James; Hartinger, Christian G.; Brooks, Heather J. L.; Crowley, James D.","A dynamic covalent approach to [Pt<sub><i>n</i></sub>L<sub>2<i>n</i></sub>]<sup>2<i>n</i>+</sup> cages.","Chemical communications (Cambridge, England)","2024","60","32","4302","4305","10.1039/d4cc00323c","","x-ray","1.54184","CuKα","","0.0805","0.0687","","","0.1887","0.1998","","","","","","1.07","","","","has coordinates","291521","2024-05-05","00:55:31",""
"7132870","9.6699","0.0015","9.6753","0.0015","10.4512","0.0016","76.908","0.004","71.347","0.004","71.318","0.004","869.2","0.2","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 Cl N2 O4 -","- C19 H17 Cl N2 O4 -","- C38 H34 Cl2 N4 O8 -","2","1","","Porashar, Bikoshita; Behera, Bipin Kumar; Phukon, Hunmoina; Saikia, Anil K.","Synthesis of tetrahydroquinazolines from 2-aminobenzonitriles and alkylidene malonates <i>via</i> 1,4-conjugate addition and an unprecedented rearrangement reaction.","Chemical communications (Cambridge, England)","2024","60","32","4358","4361","10.1039/d4cc00240g","","","0.71073","MoKα","","0.0403","0.0369","","","0.0927","0.0966","","","","","","1.037","","","","has coordinates","291520","2024-05-05","00:54:55",""
"7132871","19.9815","0.0012","23.8662","0.0012","23.8919","0.0013","90","","90","","90","","11393.6","1.1","100.07","","100.07","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","tetrakis(N,N'-dioxide-2,2'-bipyridyl)lutetium(III) tetracyanoaurate(III) hydrate","","- C52 H34.66 Au3 Lu N20 O9.33 -","- C52 H34.658 Au3 Lu N20 O9.329 -","- C416 H277.264 Au24 Lu8 N160 O74.632 -","8","1","","Karpiuk, Thomas E.; Mahato, Samyadeb; Storr, Tim; Leznoff, Daniel B.","Unusually short unsupported Au(III)⋯Au(III) aurophilic contacts in emissive lanthanide tetracyanoaurate(III) complexes.","Chemical communications (Cambridge, England)","2024","60","29","3914","3917","10.1039/d4cc00468j","","x-ray","0.71073","MoKα","","0.0808","0.0468","","","0.0745","0.0823","","","","","","1.052","","","","has coordinates","291497","2024-05-05","00:36:44",""
"7132872","20.0668","0.0009","23.8472","0.001","23.9197","0.0008","90","","90","","90","","11446.5","0.8","100.01","","100.01","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","tetrakis(N,N'-dioxide-2,2'-bipyridyl)terbium(III) tetracyanoaurate(III) hydrate","","- C52 H34.34 Au3 N20 O9.17 Tb -","- C52 H34.344 Au3 N20 O9.172 Tb -","- C416 H274.752 Au24 N160 O73.376 Tb8 -","8","1","","Karpiuk, Thomas E.; Mahato, Samyadeb; Storr, Tim; Leznoff, Daniel B.","Unusually short unsupported Au(III)⋯Au(III) aurophilic contacts in emissive lanthanide tetracyanoaurate(III) complexes.","Chemical communications (Cambridge, England)","2024","60","29","3914","3917","10.1039/d4cc00468j","","x-ray","0.71073","MoKα","","0.0518","0.0311","","","0.0563","0.0619","","","","","","1.036","","","","has coordinates","291497","2024-05-05","00:36:52",""
"7132873","20.1041","0.0011","23.8591","0.0014","23.936","0.0014","90","","90","","90","","11481.3","1.1","100.1","","100.1","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","tetrakis(N,N'-dioxide-2,2'-bipyridyl)europium(III) tetracyanoaurate(III) hydrate","","- C52 H34.51 Au3 Eu N20 O9.25 -","- C52 H34.506 Au3 Eu N20 O9.253 -","- C416 H276.048 Au24 Eu8 N160 O74.024 -","8","1","","Karpiuk, Thomas E.; Mahato, Samyadeb; Storr, Tim; Leznoff, Daniel B.","Unusually short unsupported Au(III)⋯Au(III) aurophilic contacts in emissive lanthanide tetracyanoaurate(III) complexes.","Chemical communications (Cambridge, England)","2024","60","29","3914","3917","10.1039/d4cc00468j","","x-ray","0.71073","MoKα","","0.0576","0.0355","","","0.0697","0.0769","","","","","","1.019","","","","has coordinates","291497","2024-05-05","00:36:52",""
"7132874","20.2203","0.0007","23.8559","0.0008","23.9799","0.0009","90","","90","","90","","11567.3","0.7","100.04","","100.04","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","tetrakis(N,N'-dioxide-2,2'-bipyridyl)cerium(III) tetracyanoaurate(III) hydrate","","- C52 H34.4 Au3 Ce N20 O9.2 -","- C52 H34.398 Au3 Ce N20 O9.199 -","- C416 H275.184 Au24 Ce8 N160 O73.592 -","8","1","","Karpiuk, Thomas E.; Mahato, Samyadeb; Storr, Tim; Leznoff, Daniel B.","Unusually short unsupported Au(III)⋯Au(III) aurophilic contacts in emissive lanthanide tetracyanoaurate(III) complexes.","Chemical communications (Cambridge, England)","2024","60","29","3914","3917","10.1039/d4cc00468j","","x-ray","0.71073","MoKα","","0.0418","0.0244","","","0.0461","0.0508","","","","","","1.019","","","","has coordinates","291497","2024-05-05","00:36:52",""
"7132875","10.9362","0.0006","17.792","0.001","8.2146","0.0004","90","","108.127","0.002","90","","1519.04","0.14","296","","296.3","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 O4 -","- C19 H16 O4 -","- C76 H64 O16 -","4","1","","Zhou, Xinlong; Jiang, Jingjing; Zhang, Min; Wu, Qingqing; Zhu, Keyong; Shi, Dongjie; Hou, Sensen; Zhao, Jingjing; Li, Pan","Dioxane promoted photochemical <i>O</i>-alkylation of 1,3-dicarbonyl compounds beyond carbene insertion into C-H and C-C bonds.","Chemical communications (Cambridge, England)","2024","60","32","4330","4333","10.1039/d4cc00778f","","","0.71073","MoKα","","0.0774","0.0446","","","0.0898","0.1062","","","","","","1.051","","","","has coordinates","291517","2024-05-05","00:53:06",""
"7132876","21.549","0.003","10.8252","0.0014","17.856","0.003","90","","113.929","0.004","90","","3807.3","1","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 O5 S -","- C20 H22 O5 S -","- C160 H176 O40 S8 -","8","1","","Zhou, Xinlong; Jiang, Jingjing; Zhang, Min; Wu, Qingqing; Zhu, Keyong; Shi, Dongjie; Hou, Sensen; Zhao, Jingjing; Li, Pan","Dioxane promoted photochemical <i>O</i>-alkylation of 1,3-dicarbonyl compounds beyond carbene insertion into C-H and C-C bonds.","Chemical communications (Cambridge, England)","2024","60","32","4330","4333","10.1039/d4cc00778f","","","0.71073","MoKα","","0.0624","0.0416","","","0.0937","0.1089","","","","","","1.063","","","","has coordinates","291517","2024-05-05","00:53:10",""
"7132877","10.2833","0.0018","10.038","0.002","20.688","0.004","90","","98.406","0.007","90","","2112.6","0.7","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 O4 -","- C25 H22 O4 -","- C100 H88 O16 -","4","1","","Zhou, Xinlong; Jiang, Jingjing; Zhang, Min; Wu, Qingqing; Zhu, Keyong; Shi, Dongjie; Hou, Sensen; Zhao, Jingjing; Li, Pan","Dioxane promoted photochemical <i>O</i>-alkylation of 1,3-dicarbonyl compounds beyond carbene insertion into C-H and C-C bonds.","Chemical communications (Cambridge, England)","2024","60","32","4330","4333","10.1039/d4cc00778f","","","0.71073","MoKα","","0.0982","0.0604","","","0.148","0.1723","","","","","","1.043","","","","has coordinates","291517","2024-05-05","00:53:10",""
"7132878","13.824","0.0006","7.5535","0.0003","14.7562","0.0006","90","","100.354","0.001","90","","1515.75","0.11","273.15","","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C64 H76 N4 O16 -","4","1","","Feng, Shishen; Liu, Hong; Li, Yan; Fang, Yewen","Photoredox-catalyzed radical-radical cross coupling of ketyl radicals with unstabilized primary alkyl radicals.","Chemical communications (Cambridge, England)","2024","60","33","4431","4434","10.1039/d4cc00620h","","","0.71073","MoKα","","0.0522","0.04","","","0.1099","0.1192","","","","","","1.051","","","","has coordinates","291527","2024-05-05","01:00:04",""
"7132879","20.0212","0.0008","28.7967","0.0013","16.6677","0.0007","90","","90","","90","","9609.7","0.7","91","","91","","","","","","","","","8","C m m m","-C 2 2","65","","","","- C57 H43 Au Br Cl18 Fe N6 O -","- C48 H32 Au Br Fe N6 -","- C192 H128 Au4 Br4 Fe4 N24 -","4","0.25","","Lyu, Bang-Heng; Xie, Kai-Ping; Cui, Wen; Chen, Yan-Cong; Chen, Guan-Xi; Wu, Si-Guo; Tong, Ming-Liang","Cyanometallic charge engineering in spin crossover metal-organic frameworks.","Chemical communications (Cambridge, England)","2024","60","32","4318","4321","10.1039/d4cc00673a","","","0.71073","MoKα","","0.0588","0.0552","","","0.162","0.1641","","","","","","1.079","","","","has coordinates,has disorder","291522","2024-05-05","00:56:11",""
"7132880","10.4824","0.0005","14.6177","0.0009","17.0399","0.0009","90","","90","","90","","2611","0.2","255","","255","","","","","","","","","8","P m m m","-P 2 2","47","","","","- C57 H43 Au Br Cl18 Fe N6 O -","- C48 H32 Au Br Fe N6 -","- C48 H32 Au Br Fe N6 -","1","0.125","","Lyu, Bang-Heng; Xie, Kai-Ping; Cui, Wen; Chen, Yan-Cong; Chen, Guan-Xi; Wu, Si-Guo; Tong, Ming-Liang","Cyanometallic charge engineering in spin crossover metal-organic frameworks.","Chemical communications (Cambridge, England)","2024","60","32","4318","4321","10.1039/d4cc00673a","","","0.71073","MoKα","","0.1056","0.0969","","","0.2638","0.2721","","","","","","1.161","","","","has coordinates,has disorder","291522","2024-05-05","00:56:17",""
"7132881","10.218","0.0008","14.6762","0.0012","17.0726","0.0012","90","","90","","90","","2560.2","0.3","293","","293","","","","","","","","","6","P m m m","-P 2 2","47","","","","- C88 H140 Co Fe N17 O19 -","- C52 H32 Co Fe N10 -","- C52 H32 Co Fe N10 -","1","0.125","","Lyu, Bang-Heng; Xie, Kai-Ping; Cui, Wen; Chen, Yan-Cong; Chen, Guan-Xi; Wu, Si-Guo; Tong, Ming-Liang","Cyanometallic charge engineering in spin crossover metal-organic frameworks.","Chemical communications (Cambridge, England)","2024","60","32","4318","4321","10.1039/d4cc00673a","","","1.34138","GaKα","","0.0769","0.0641","","","0.2034","0.2159","","","","","","1.13","","","","has coordinates,has disorder","291522","2024-05-05","00:56:17",""
"7132882","19.818","0.002","29.05","0.003","16.4847","0.0018","90","","90","","90","","9490.5","1.7","120","","120","","","","","","","","","5","C m m m","-C 2 2","65","","","","- C83 H118 Fe2 N16 O15 -","- C51 H32 Fe2 N10 O -","- C204 H128 Fe8 N40 O4 -","4","0.25","","Lyu, Bang-Heng; Xie, Kai-Ping; Cui, Wen; Chen, Yan-Cong; Chen, Guan-Xi; Wu, Si-Guo; Tong, Ming-Liang","Cyanometallic charge engineering in spin crossover metal-organic frameworks.","Chemical communications (Cambridge, England)","2024","60","32","4318","4321","10.1039/d4cc00673a","","","0.71073","MoKα","","0.1093","0.0778","","","0.2378","0.2545","","","","","","1.105","","","","has coordinates,has disorder","291522","2024-05-05","00:56:17",""
"7132883","20.623","0.002","29.23","0.003","17.01","0.002","90","","90","","90","","10253.8","1.9","298","","298","","","","","","","","","5","C m m m","-C 2 2","65","","","","- C83 H118 Fe2 N16 O15 -","- C51 H32 Fe2 N10 O -","- C204 H128 Fe8 N40 O4 -","4","0.25","","Lyu, Bang-Heng; Xie, Kai-Ping; Cui, Wen; Chen, Yan-Cong; Chen, Guan-Xi; Wu, Si-Guo; Tong, Ming-Liang","Cyanometallic charge engineering in spin crossover metal-organic frameworks.","Chemical communications (Cambridge, England)","2024","60","32","4318","4321","10.1039/d4cc00673a","","","0.71073","MoKα","","0.14","0.1184","","","0.2564","0.2682","","","","","","1.087","","","","has coordinates,has disorder","291522","2024-05-05","00:56:17",""
"7132884","11.248","0.0001","11.9893","0.0002","21.1722","0.0002","90","","90","","90","","2855.19","0.06","292.37","0.1","292.37","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H13 N O3 -","- C18 H13 N O3 -","- C144 H104 N8 O24 -","8","1","","Liao, Zhi-Yu; Gao, Fan; Ye, Yu-Hang; Yu, Qian-Hui; Yang, Cui; Luo, Qing-Yu; Du, Fei; Pan, Bin; Zhong, Wen-Wu; Liang, Wu","Construction of cyclobutane-fused tetracyclic skeletons <i>via</i> substrate-dependent EnT-enabled dearomative [2+2] cycloaddition of benzofurans (benzothiophenes)/maleimides.","Chemical communications (Cambridge, England)","2024","60","33","4455","4458","10.1039/d4cc00690a","","x-ray","1.54184","CuKα","","0.0597","0.0572","","","0.1571","0.1599","","","","","","1.074","","","","has coordinates","291528","2024-05-05","01:00:38",""
"7132885","10.5669","0.0003","8.0829","0.0002","11.7127","0.0003","90","","113","0.001","90","","920.87","0.04","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 N O3 S -","- C21 H23 N O3 S -","- C42 H46 N2 O6 S2 -","2","1","","Li, Hongye; Zhou, Yuqiao; Tan, Zheng; Wang, Xiangyu; Zhang, Yuxin; Wang, Fei; Feng, Xiaoming; Liu, Xiaohua","Enantioselective sulfonylation to construct 3-sulfonylated oxindoles.","Chemical communications (Cambridge, England)","2024","60","32","4354","4357","10.1039/d4cc00802b","","","1.54178","CuKα","","0.0261","0.0257","","","0.0633","0.0636","","","","","","1.065","","","","has coordinates","291524","2024-05-05","00:57:47",""
"7132886","10.887","0.002","13.619","0.003","11.857","0.002","90","","110.116","0.003","90","","1650.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Br N O -","- C20 H16 Br N O -","- C80 H64 Br4 N4 O4 -","4","1","","Solanke, Pooja R.; Kumar, Prakash; Mainkar, Prathama S.; Nayani, Kiranmai; Chandrasekhar, Srivari","Synthesis of <i>cis</i>-fused cyclopentenone-pyrrolidine scaffolds <i>via</i> sequential aza-Piancatelli and Conia-ene type reactions in one pot.","Chemical communications (Cambridge, England)","2024","60","31","4234","4237","10.1039/d4cc00104d","","","0.71073","MoKα","","0.0564","0.0385","","","0.0917","0.1027","","","","","","1.017","","","","has coordinates","291541","2024-05-05","01:09:20",""
"7132887","8.577","0.004","16.525","0.007","29.33","0.012","90","","98.477","0.008","90","","4112","3","294","2","294","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C26 H21 N O -","- C26 H21 N O -","- C208 H168 N8 O8 -","8","4","","Solanke, Pooja R.; Kumar, Prakash; Mainkar, Prathama S.; Nayani, Kiranmai; Chandrasekhar, Srivari","Synthesis of <i>cis</i>-fused cyclopentenone-pyrrolidine scaffolds <i>via</i> sequential aza-Piancatelli and Conia-ene type reactions in one pot.","Chemical communications (Cambridge, England)","2024","60","31","4234","4237","10.1039/d4cc00104d","","","0.71073","MoKα","","0.0701","0.044","","","0.0965","0.1078","","","","","","1.01","","","","has coordinates","291541","2024-05-05","01:09:22",""
"7132888","7.6531","0.0005","20.7577","0.001","37.5707","0.0013","90","","92.335","0.004","90","","5963.6","0.5","170","0.12","170","0.12","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C58 H46 O10 -","- C58 H46 O10 -","- C232 H184 O40 -","4","0.5","","Zhang, Qiaoyu; Luo, Guiwen; Hu, Rui; Yang, Guoqiang; Chen, Jinping; Yu, Tianjun; Zeng, Yi; Li, Yi","Crystalline hydrogen-bonded organic framework for air-tolerant triplet-triplet annihilation upconversion.","Chemical communications (Cambridge, England)","2024","60","33","4475","4478","10.1039/d4cc00742e","","x-ray","1.54184","CuKα","","0.1547","0.1253","","","0.3384","0.3691","","","","","","1.419","","","","has coordinates","291529","2024-05-05","01:01:04",""
"7132889","21.9697","0.0013","6.3504","0.0003","23.532","0.0013","90","","114.886","0.002","90","","2978.3","0.3","296.13","","296.13","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H21 N O2 -","- C16 H21 N O2 -","- C128 H168 N8 O16 -","8","1","","Liu, Ruzhang; Wang, Juan; Wu, Hao; Quan, Xianfeng; Wang, Shilin; Guo, Jiandong; Wang, Yang; Li, Heting","Stereocontrol in an intermolecular Schmidt reaction of equilibrating hydroxyalkyl allylic azides.","Chemical communications (Cambridge, England)","2024","60","32","4362","4365","10.1039/d4cc00907j","","","0.71073","MoKα","","0.1179","0.0579","","","0.1468","0.1743","","","","","","1.019","","","","has coordinates","291518","2024-05-05","00:53:42",""
"7132890","6.372","0.0006","21.111","0.002","17.2221","0.0017","90","","90","","90","","2316.7","0.4","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","17b-hydroxy-5a-androstan-3-one","","- C24 H41 N O4 -","- C24 H41 N O4 -","- C96 H164 N4 O16 -","4","1","","Liu, Ruzhang; Wang, Juan; Wu, Hao; Quan, Xianfeng; Wang, Shilin; Guo, Jiandong; Wang, Yang; Li, Heting","Stereocontrol in an intermolecular Schmidt reaction of equilibrating hydroxyalkyl allylic azides.","Chemical communications (Cambridge, England)","2024","60","32","4362","4365","10.1039/d4cc00907j","","","0.71073","MoKα","","0.2102","0.0612","","","0.0916","0.1196","","","","","","0.977","","","","has coordinates","291518","2024-05-05","00:53:49",""
"7132891","5.6228","0.0006","11.5801","0.0011","22.772","0.002","88.886","0.003","84.246","0.003","83.434","0.003","1465.5","0.2","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H42 N2 O4 -","- C32 H42 N2 O4 -","- C64 H84 N4 O8 -","2","1","","Liu, Ruzhang; Wang, Juan; Wu, Hao; Quan, Xianfeng; Wang, Shilin; Guo, Jiandong; Wang, Yang; Li, Heting","Stereocontrol in an intermolecular Schmidt reaction of equilibrating hydroxyalkyl allylic azides.","Chemical communications (Cambridge, England)","2024","60","32","4362","4365","10.1039/d4cc00907j","","","0.71073","MoKα","","0.1905","0.0987","","","0.2986","0.3473","","","","","","1.048","","","","has coordinates,has disorder","291518","2024-05-05","00:53:49",""
"7132892","10.4856","0.0019","14.332","0.002","14.635","0.002","90","","90","","90","","2199.3","0.6","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H39 N O3 -","- C24 H39 N O3 -","- C96 H156 N4 O12 -","4","1","","Liu, Ruzhang; Wang, Juan; Wu, Hao; Quan, Xianfeng; Wang, Shilin; Guo, Jiandong; Wang, Yang; Li, Heting","Stereocontrol in an intermolecular Schmidt reaction of equilibrating hydroxyalkyl allylic azides.","Chemical communications (Cambridge, England)","2024","60","32","4362","4365","10.1039/d4cc00907j","","","0.71073","MoKα","","0.1041","0.051","","","0.0946","0.1096","","","","","","1.022","","","","has coordinates","291518","2024-05-05","00:53:49",""
"7132893","10.0658","0.0002","15.252","0.0004","11.7038","0.0003","90","","110.346","0.001","90","","1684.71","0.07","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H41 Cl4 O P Ru -","- C35 H41 Cl4 O P Ru -","- C70 H82 Cl8 O2 P2 Ru2 -","2","1","","Boym, Mikhail A.; Pototskiy, Roman A.; Podyacheva, Evgeniya S.; Chusov, Denis A.; Nelyubina, Yulia V.; Perekalin, Dmitry S.","Planar-chiral arene ruthenium complexes: synthesis, separation of enantiomers, and application for catalytic C-H activation.","Chemical communications (Cambridge, England)","2024","60","33","4491","4494","10.1039/d4cc00181h","","","0.71073","MoKα","","0.0576","0.0431","","","0.0708","0.0764","","","","","","1.019","","","","has coordinates,has disorder","291526","2024-05-05","00:59:19",""
"7132894","7.049","0.003","11.48","0.005","19.45","0.008","90","","98.623","0.004","90","","1556.2","1.1","220","","220","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H19 Br N2 O2 -","- C15 H19 Br N2 O2 -","- C60 H76 Br4 N8 O8 -","4","2","","Boym, Mikhail A.; Pototskiy, Roman A.; Podyacheva, Evgeniya S.; Chusov, Denis A.; Nelyubina, Yulia V.; Perekalin, Dmitry S.","Planar-chiral arene ruthenium complexes: synthesis, separation of enantiomers, and application for catalytic C-H activation.","Chemical communications (Cambridge, England)","2024","60","33","4491","4494","10.1039/d4cc00181h","","","0.71073","MoKα","","0.1548","0.0679","","","0.1185","0.1504","","","","","","1.059","","","","has coordinates,has disorder","291526","2024-05-05","00:59:29",""
"7132895","12.2863","0.0004","18.7694","0.0005","12.3374","0.0003","90","","93.047","0.002","90","","2841.06","0.14","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 Cl4 Ru2 -","- C28 H40 Cl4 Ru2 -","- C112 H160 Cl16 Ru8 -","4","1","","Boym, Mikhail A.; Pototskiy, Roman A.; Podyacheva, Evgeniya S.; Chusov, Denis A.; Nelyubina, Yulia V.; Perekalin, Dmitry S.","Planar-chiral arene ruthenium complexes: synthesis, separation of enantiomers, and application for catalytic C-H activation.","Chemical communications (Cambridge, England)","2024","60","33","4491","4494","10.1039/d4cc00181h","","","0.71073","MoKα","","0.0975","0.0766","","","0.1584","0.169","","","","","","1.183","","","","has coordinates,has disorder","291526","2024-05-05","00:59:29",""
"7132896","20.0826","0.0009","14.1346","0.0005","15.2463","0.0007","90","","100.815","0.005","90","","4250.9","0.3","173.15","","173.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C46 H55 Cl2 N2 O2 Sb -","- C46 H55 Cl2 N2 O2 Sb -","- C184 H220 Cl8 N8 O8 Sb4 -","4","1","","Agou, Tomohiro; Kuroiwa, Shunsuke; Fukumoto, Hiroki; Nabeshima, Tatsuya","Synthesis and optical properties of antimony(V) complexes of a trianionic N<sub>2</sub>O<sub>2</sub>-type tetradentate dipyrrin ligand.","Chemical communications (Cambridge, England)","2024","60","34","4557","4560","10.1039/d4cc00630e","","x-ray","0.71073","MoKα","","0.0618","0.048","","","0.0863","0.0934","","","","","","1.006","","","","has coordinates","291554","2024-05-05","01:19:06",""
"7132897","24.3993","0.0006","16.832","0.0004","11.663","0.0003","90","","100.297","0.003","90","","4712.7","0.2","173.15","","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H62 Cl N2 O4 Sb -","- C49 H62 Cl N2 O4 Sb -","- C196 H248 Cl4 N8 O16 Sb4 -","4","1","","Agou, Tomohiro; Kuroiwa, Shunsuke; Fukumoto, Hiroki; Nabeshima, Tatsuya","Synthesis and optical properties of antimony(V) complexes of a trianionic N<sub>2</sub>O<sub>2</sub>-type tetradentate dipyrrin ligand.","Chemical communications (Cambridge, England)","2024","60","34","4557","4560","10.1039/d4cc00630e","","","0.71073","MoKα","","0.0317","0.0273","","","0.0695","0.0724","","","","","","1.043","","","","has coordinates,has disorder","291554","2024-05-05","01:19:07",""
"7132898","28.4574","0.0005","27.9101","0.0004","32.3437","0.0006","90","","90","","90","","25688.9","0.8","173.15","","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H57 N2 O4 Sb -","- C46 H57 N2 O4 Sb -","- C1104 H1368 N48 O96 Sb24 -","24","3","","Agou, Tomohiro; Kuroiwa, Shunsuke; Fukumoto, Hiroki; Nabeshima, Tatsuya","Synthesis and optical properties of antimony(V) complexes of a trianionic N<sub>2</sub>O<sub>2</sub>-type tetradentate dipyrrin ligand.","Chemical communications (Cambridge, England)","2024","60","34","4557","4560","10.1039/d4cc00630e","","x-ray","0.71073","MoKα","","0.0787","0.0427","","","0.0771","0.0875","","","","","","1.024","","","","has coordinates","291554","2024-05-05","01:19:07",""
"7132899","9.462","0.0009","9.6433","0.0009","17.6776","0.0019","75.612","0.002","75.789","0.002","87.111","0.003","1514.5","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H37 N O3 S Si -","- C31 H37 N O3 S Si -","- C62 H74 N2 O6 S2 Si2 -","2","1","","Zhang, Zhen; Lu, Lichao; Li, Guiling; Sheng, Xiaoyu; Zhang, Yijia; Yang, Lin; Zhao, Jiaqi; Xie, Lei; Li, Jiazhu; Sun, Kai","Radical cascade silylation/cyclization of 1,7-dienes to access silyl-substituted benzo[<i>b</i>]azepin-2-ones.","Chemical communications (Cambridge, England)","2024","60","31","4206","4209","10.1039/d4cc00499j","","","0.71073","MoKα","","0.1866","0.128","","","0.3297","0.353","","","","","","1.176","","","","has coordinates","291542","2024-05-05","01:09:41",""
"7132900","4.5044","0.0001","12.6636","0.0005","19.6473","0.0008","90","","90","","90","","1120.72","0.07","99.98","0.1","99.98","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H10 N2 -","- C17 H10 N2 -","- C68 H40 N8 -","4","1","","Sadaphal, Vikas Ashokrao; Wu, Tien-Lin; Liu, Rai-Shung","Synthesis of two nitrogen-containing polyaromatic compounds through gold catalysis/DBU-promoted cyclizations.","Chemical communications (Cambridge, England)","2024","60","32","4294","4297","10.1039/d4cc00113c","","x-ray","1.54184","CuKα","","0.0594","0.0554","","","0.1506","0.153","","","","","","1.12","","","","has coordinates","291519","2024-05-05","00:54:23",""
"7132901","7.6716","0.0001","9.16801","0.00015","12.73071","0.00019","106.171","0.0014","91.1629","0.0011","109.967","0.0013","801.64","0.02","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H14 N2 O -","- C24 H14 N2 O -","- C48 H28 N4 O2 -","2","1","","Sadaphal, Vikas Ashokrao; Wu, Tien-Lin; Liu, Rai-Shung","Synthesis of two nitrogen-containing polyaromatic compounds through gold catalysis/DBU-promoted cyclizations.","Chemical communications (Cambridge, England)","2024","60","32","4294","4297","10.1039/d4cc00113c","","x-ray","1.54184","CuKα","","0.0378","0.0358","","","0.0959","0.0973","","","","","","1.053","","","","has coordinates","291519","2024-05-05","00:54:24",""
"7132902","5.7818","0.0001","12.8402","0.0003","21.6872","0.0005","90","","90","","90","","1610.05","0.06","99.98","0.1","99.98","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H14 N2 -","- C25 H14 N2 -","- C100 H56 N8 -","4","1","","Sadaphal, Vikas Ashokrao; Wu, Tien-Lin; Liu, Rai-Shung","Synthesis of two nitrogen-containing polyaromatic compounds through gold catalysis/DBU-promoted cyclizations.","Chemical communications (Cambridge, England)","2024","60","32","4294","4297","10.1039/d4cc00113c","","x-ray","1.54184","CuKα","","0.0463","0.0404","","","0.1029","0.1062","","","","","","1.045","","","","has coordinates","291519","2024-05-05","00:54:24",""
"7132903","16.3278","0.0003","7.4345","0.0002","21.1425","0.0004","90","","99.071","0.002","90","","2534.37","0.1","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C136 H96 N16 O8 -","8","1","","Sadaphal, Vikas Ashokrao; Wu, Tien-Lin; Liu, Rai-Shung","Synthesis of two nitrogen-containing polyaromatic compounds through gold catalysis/DBU-promoted cyclizations.","Chemical communications (Cambridge, England)","2024","60","32","4294","4297","10.1039/d4cc00113c","","x-ray","1.54184","CuKα","","0.0448","0.039","","","0.1036","0.1077","","","","","","1.039","","","","has coordinates","291519","2024-05-05","00:54:24",""
"7132904","12.43235","0.00013","12.20419","0.00015","11.52302","0.00014","90","","102.48","0.0011","90","","1707.04","0.04","109","6","109","6","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 N2 O -","- C23 H16 N2 O -","- C92 H64 N8 O4 -","4","1","","Sadaphal, Vikas Ashokrao; Wu, Tien-Lin; Liu, Rai-Shung","Synthesis of two nitrogen-containing polyaromatic compounds through gold catalysis/DBU-promoted cyclizations.","Chemical communications (Cambridge, England)","2024","60","32","4294","4297","10.1039/d4cc00113c","","x-ray","1.54184","CuKα","","0.0368","0.0337","","","0.0869","0.089","","","","","","1.05","","","","has coordinates","291519","2024-05-05","00:54:24",""
"7132905","3.77916","0.00013","16.2226","0.0005","19.1757","0.0006","90","","93.565","0.003","90","","1173.35","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H9 N3 O -","- C17 H9 N3 O -","- C68 H36 N12 O4 -","4","1","","Sadaphal, Vikas Ashokrao; Wu, Tien-Lin; Liu, Rai-Shung","Synthesis of two nitrogen-containing polyaromatic compounds through gold catalysis/DBU-promoted cyclizations.","Chemical communications (Cambridge, England)","2024","60","32","4294","4297","10.1039/d4cc00113c","","x-ray","1.54184","CuKα","","0.0548","0.0404","","","0.1013","0.109","","","","","","1.039","","","","has coordinates","291519","2024-05-05","00:54:24",""
"7132906","8.22512","0.00019","10.0169","0.0004","12.1195","0.0004","104.088","0.003","101.613","0.002","109.165","0.003","870.66","0.06","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H16 N2 O -","- C23 H16 N2 O -","- C46 H32 N4 O2 -","2","1","","Sadaphal, Vikas Ashokrao; Wu, Tien-Lin; Liu, Rai-Shung","Synthesis of two nitrogen-containing polyaromatic compounds through gold catalysis/DBU-promoted cyclizations.","Chemical communications (Cambridge, England)","2024","60","32","4294","4297","10.1039/d4cc00113c","","x-ray","1.54184","CuKα","","0.0343","0.0327","","","0.0845","0.0858","","","","","","1.053","","","","has coordinates","291519","2024-05-05","00:54:24",""
"7132907","17.6032","0.0006","3.8528","0.0001","18.9019","0.0006","90","","99.58","0.003","90","","1264.08","0.07","99.9","0.3","99.9","0.3","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 N2 -","- C19 H12 N2 -","- C76 H48 N8 -","4","1","","Sadaphal, Vikas Ashokrao; Wu, Tien-Lin; Liu, Rai-Shung","Synthesis of two nitrogen-containing polyaromatic compounds through gold catalysis/DBU-promoted cyclizations.","Chemical communications (Cambridge, England)","2024","60","32","4294","4297","10.1039/d4cc00113c","","x-ray","1.54184","CuKα","","0.0657","0.0605","","","0.1762","0.1814","","","","","","1.058","","","","has coordinates","291519","2024-05-05","00:54:25",""
"7132908","11.5445","0.0006","11.4051","0.0006","12.9631","0.0007","90","","93.189","0.002","90","","1704.16","0.16","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N O6 -","- C18 H21 N O6 -","- C72 H84 N4 O24 -","4","1","","Wen, Yongshun; Jin, Hong-Xian; Qiu, Yan-Hua; Zong, Yingtong; Luo, Wenjun; Chen, Zhengwang; Yu, Daohong","Photo-induced tungsten-catalyzed cascade synthesis of pyrrolo[2,1-<i>a</i>]isoquinoline-1,3-dicarboxylate and its reaction mechanism.","Chemical communications (Cambridge, England)","2024","60","34","4573","4576","10.1039/d4cc00169a","","x-ray","0.71073","MoKα","","0.0526","0.0363","","","0.0891","0.0971","","","","","","1.041","","","","has coordinates","291551","2024-05-05","01:16:42",""
"7132909","15.186","0.002","15.823","0.002","16.474","0.002","69.815","0.005","88.884","0.006","81.886","0.006","3676.4","0.8","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H44 O10 -","- C44 H44 O10 -","- C176 H176 O40 -","4","2","","Soliman, Luc; Ramassamy, Elsa; Dujarric, Katia; Naulet, Guillaume; Dechambenoit, Pierre; Bock, Harald; Durola, Fabien","Coronenes with push-pull geometries from macrocycle-forming Perkin condensations.","Chemical communications (Cambridge, England)","2024","60","33","4439","4442","10.1039/d4cc00935e","","","0.71073","MoKα","","0.1627","0.0844","","","0.2153","0.2602","","","","","","1.059","","","","has coordinates","291525","2024-05-05","00:58:26",""
"7132910","6.9314","0.0005","13.781","0.0009","16.068","0.0012","86.662","0.004","82.997","0.004","76.021","0.003","1477.62","0.18","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H28 O8 -","- C36 H28 O8 -","- C72 H56 O16 -","2","1","","Soliman, Luc; Ramassamy, Elsa; Dujarric, Katia; Naulet, Guillaume; Dechambenoit, Pierre; Bock, Harald; Durola, Fabien","Coronenes with push-pull geometries from macrocycle-forming Perkin condensations.","Chemical communications (Cambridge, England)","2024","60","33","4439","4442","10.1039/d4cc00935e","","","0.71073","MoKα","","0.1091","0.062","","","0.1785","0.2076","","","","","","1.097","","","","has coordinates","291525","2024-05-05","00:58:42",""
"7132911","8.895","0.0003","16.5456","0.0005","27.257","0.0009","90","","90","","90","","4011.5","0.2","173","","173","","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C38 H38 B Cl4 F6 N S Sb -","- C38 H38 B Cl4 F6 N S Sb -","- C152 H152 B4 Cl16 F24 N4 S4 Sb4 -","4","0.5","","Cosby, Taylor P. L.; Bhattacharjee, Avik; Henneberry, Samantha K.; LeBlanc, Jesse; Caputo, Christopher B.","Unlocking Lewis acidity <i>via</i> the redox non-innocence of a phenothiazine-substituted borane.","Chemical communications (Cambridge, England)","2024","60","41","5391","5394","10.1039/d4cc01059k","","","0.71076","MoKα","","0.0759","0.0575","","","0.111","0.1185","","","","","","1.242","","","","has coordinates,has disorder","292778","2024-07-05","13:15:33",""
"7132912","16.6532","0.001","10.7273","0.0006","11.4809","0.0007","90","","103.498","0.004","90","","1994.3","0.2","300","","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 N2 O6 W -","- C20 H14 N2 O6 W -","- C80 H56 N8 O24 W4 -","4","0.5","","Song, Heng; Xiao, Yuting; Wei, Jingjing; Liu, Yuzan; Yang, Liqing; Bai, Pengtao; Yang, Fu; Yu, Kai; Xu, Chen; Cai, Xingwei","Low-valent-tungsten catalysis enables hydroboration of esters and nitriles.","Chemical communications (Cambridge, England)","2024","60","38","5026","5029","10.1039/d4cc00041b","","x-ray","0.71073","MoKα","","0.0281","0.0234","","","0.0441","0.0455","","","","","","1.081","","","","has coordinates","292842","2024-07-05","13:41:19",""
"7132913","8.0955","0.0003","20.9526","0.0008","9.8012","0.0003","90","","102.25","0.001","90","","1624.64","0.1","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 Br4 F N2 Zn -","- C10 H14 Br4 F N2 Zn -","- C40 H56 Br16 F4 N8 Zn4 -","4","1","","Wang, Yu-Yin; Kang, Huai-Yuan; Zhang, Shao-Ya; Qu, Hao; Zhu, Lin; Zhao, Dan; Li, Xian-Feng; Lei, Xiao-Wu; Yue, Cheng-Yang","Exploring 0D lead-free metal halide with highly efficient blue light emission and high-sensitivity photodetection.","Chemical communications (Cambridge, England)","2024","60","20","2784","2787","10.1039/d3cc06010a","","","0.71073","MoKα","","0.0652","0.0342","","","0.0773","0.089","","","","","","1.019","","","","has coordinates","290757","2024-04-03","22:36:59",""
"7132914","10.4791","0.0003","15.9525","0.0004","12.9626","0.0003","90","","99.6049","0.0014","90","","2136.55","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H28 Cl2 Co N3 -","- C21 H28 Cl2 Co N3 -","- C84 H112 Cl8 Co4 N12 -","4","1","","Boity, Biswaranjan; Sidiqque, Misba; Rit, Arnab","Amine-functionalized bifunctional Co<sup>III</sup>-NHC complexes: highly effective phosphine-free catalysts for the α-alkylation of nitriles.","Chemical communications (Cambridge, England)","2024","60","23","3142","3145","10.1039/d3cc05454c","","","0.71073","MoKα","","0.0457","0.0314","","","0.0726","0.0802","","","","","","1.022","","","","has coordinates","290758","2024-04-03","22:37:45",""
"7132915","3.741","","17.187","","18.371","","90","","90","","90","","1181.19","","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H5.5 N1.5 O0.5 -","- C8 H5.5 N1.5 O0.5 -","- C64 H44 N12 O4 -","8","2","","Sarkar, Souradip; Bhunya, Sourav; Pan, Subarna; Datta, Arnadeep; Roy, Lisa; Samanta, Rajarshi","Rh(II)-catalysed <i>N</i><sup>2</sup>-selective arylation of benzotriazoles and indazoles using quinoid carbenes <i>via</i> 1,5-H shift.","Chemical communications (Cambridge, England)","2024","60","35","4727","4730","10.1039/d4cc00823e","","","0.71073","MoKα","","0.0672","0.0502","","","0.1206","0.1296","","","","","","1.035","","","","has coordinates","291548","2024-05-05","01:13:35",""
"7132916","11.511","0.004","10.247","0.003","21.356","0.007","90","","90","","90","","2519","1.4","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C136 H96 N16 O8 -","8","1","","Sarkar, Souradip; Bhunya, Sourav; Pan, Subarna; Datta, Arnadeep; Roy, Lisa; Samanta, Rajarshi","Rh(II)-catalysed <i>N</i><sup>2</sup>-selective arylation of benzotriazoles and indazoles using quinoid carbenes <i>via</i> 1,5-H shift.","Chemical communications (Cambridge, England)","2024","60","35","4727","4730","10.1039/d4cc00823e","","","0.71073","MoKα","","0.0737","0.0599","","","0.1549","0.1658","","","","","","1.038","","","","has coordinates","291548","2024-05-05","01:13:39",""
"7132917","10.8447","0.0008","11.198","0.0008","12.0881","0.001","101.529","0.003","90.637","0.003","113.153","0.003","1315.93","0.18","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H29 N O5 -","- C31 H29 N O5 -","- C62 H58 N2 O10 -","2","1","","Pramanik, Sourav; Hazra, Subhadeep; Chatterjee, Ayan; Saha, Jaideep","Hydrogen bonding-promoted tunable approach for access to aza-bicyclo-[3.3.0]octanes and cyclopenta[<i>b</i>] pyrroles.","Chemical communications (Cambridge, England)","2024","60","37","4922","4925","10.1039/d4cc01065e","","","0.71073","MoKα","","0.1094","0.0681","","","0.133","0.1519","","","","","","1.054","","","","has coordinates,has disorder","291507","2024-05-05","00:46:57",""
"7132918","15.055","0.0006","15.1827","0.0009","17.1422","0.0004","89.358","0.003","89.116","0.003","69.16","0.004","3661.4","0.3","123","1","123","1","","","","","","","","8","P -1","-P 1","2","","","","- C56 H40 As4 Cl4 Cu4 Mo8 O16 Sb4 -","- C56 H40 As4 Cl4 Cu4 Mo8 O16 Sb4 -","- C112 H80 As8 Cl8 Cu8 Mo16 O32 Sb8 -","2","1","","Elsayed Moussa, Mehdi; Shelyganov, Pavel A.; Seidl, Michael; Zimmermann, Lisa; Scheer, Manfred","Supramolecular compounds assembled from the heteroleptic tetrahedral complex [{CpMo(CO)<sub>2</sub>}<sub>2</sub>(μ,η<sup>2</sup>-AsSb)] and metal salts.","Chemical communications (Cambridge, England)","2024","60","35","4703","4706","10.1039/d4cc01001a","","x-ray","0.71073","MoKα","","0.0754","0.0717","","","0.1727","0.1753","","","","","","1.262","","","","has coordinates","291549","2024-05-05","01:14:47",""
"7132919","10.4347","0.0004","15.6404","0.0006","13.4725","0.0004","90","","92.374","0.003","90","","2196.86","0.14","123","1","123","1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 As Cl2 Cu I Mo2 O4 Sb -","- C15 H12 As Cl2 Cu I Mo2 O4 Sb -","- C60 H48 As4 Cl8 Cu4 I4 Mo8 O16 Sb4 -","4","1","","Elsayed Moussa, Mehdi; Shelyganov, Pavel A.; Seidl, Michael; Zimmermann, Lisa; Scheer, Manfred","Supramolecular compounds assembled from the heteroleptic tetrahedral complex [{CpMo(CO)<sub>2</sub>}<sub>2</sub>(μ,η<sup>2</sup>-AsSb)] and metal salts.","Chemical communications (Cambridge, England)","2024","60","35","4703","4706","10.1039/d4cc01001a","","x-ray","0.71073","MoKα","","0.0479","0.0374","","","0.0796","0.084","","","","","","1.075","","","","has coordinates,has disorder","291549","2024-05-05","01:14:51",""
"7132920","14.9733","0.0004","15.0851","0.0005","17.339","0.0005","89.022","0.002","88.933","0.002","70.588","0.003","3692.9","0.2","123","1","123","1","","","","","","","","8","P -1","-P 1","2","","","","- C56 H40 As4 Br4 Cu4 Mo8 O16 Sb4 -","- C56 H40 As4 Br4 Cu4 Mo8 O16 Sb4 -","- C112 H80 As8 Br8 Cu8 Mo16 O32 Sb8 -","2","1","","Elsayed Moussa, Mehdi; Shelyganov, Pavel A.; Seidl, Michael; Zimmermann, Lisa; Scheer, Manfred","Supramolecular compounds assembled from the heteroleptic tetrahedral complex [{CpMo(CO)<sub>2</sub>}<sub>2</sub>(μ,η<sup>2</sup>-AsSb)] and metal salts.","Chemical communications (Cambridge, England)","2024","60","35","4703","4706","10.1039/d4cc01001a","","x-ray","0.71073","MoKα","","0.0561","0.043","","","0.0769","0.0801","","","","","","1.247","","","","has coordinates,has disorder","291549","2024-05-05","01:14:51",""
"7132921","20.9582","0.0002","33.303","0.0004","12.1289","0.0002","90","","105.237","0.001","90","","8168.03","0.19","123","0.1","123","0.1","","","","","","","","11","P 1 21/c 1","-P 2ybc","14","","","","- C67 H25 Al As2 Cl2 Cu F46 Mo4 N O11 Sb2 -","- C67 H25 Al As2 Cl2 Cu F46 Mo4 N O11 Sb2 -","- C268 H100 Al4 As8 Cl8 Cu4 F184 Mo16 N4 O44 Sb8 -","4","1","","Elsayed Moussa, Mehdi; Shelyganov, Pavel A.; Seidl, Michael; Zimmermann, Lisa; Scheer, Manfred","Supramolecular compounds assembled from the heteroleptic tetrahedral complex [{CpMo(CO)<sub>2</sub>}<sub>2</sub>(μ,η<sup>2</sup>-AsSb)] and metal salts.","Chemical communications (Cambridge, England)","2024","60","35","4703","4706","10.1039/d4cc01001a","","x-ray","1.54184","CuKα","","0.0497","0.0467","","","0.1231","0.1255","","","","","","1.063","","","","has coordinates,has disorder","291549","2024-05-05","01:14:51",""
"7132922","11.4664","0.0001","40.5323","0.0003","33.5837","0.0002","90","","91.704","0.001","90","","15601.4","0.2","123","1","123","1","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C129 H42 Ag2 Al2 As4 Cl2 F92 Mo8 O22 Sb4 -","- C129 H42 Ag2 Al2 As4 Cl2 F92 Mo8 O22 Sb4 -","- C516 H168 Ag8 Al8 As16 Cl8 F368 Mo32 O88 Sb16 -","4","1","","Elsayed Moussa, Mehdi; Shelyganov, Pavel A.; Seidl, Michael; Zimmermann, Lisa; Scheer, Manfred","Supramolecular compounds assembled from the heteroleptic tetrahedral complex [{CpMo(CO)<sub>2</sub>}<sub>2</sub>(μ,η<sup>2</sup>-AsSb)] and metal salts.","Chemical communications (Cambridge, England)","2024","60","35","4703","4706","10.1039/d4cc01001a","","x-ray","1.54184","CuKα","","0.0441","0.0414","","","0.1114","0.1137","","","","","","1.072","","","","has coordinates,has disorder","291549","2024-05-05","01:14:51",""
"7132923","23.6343","0.0003","19.0078","0.0002","31.4538","0.0003","90","","98.5123","0.0011","90","","13974.5","0.3","123.01","0.1","123.01","0.1","","","","","","","","11","P 1 21/n 1","-P 2yn","14","","","","- C108.8 H34.6 Al2 As2 Cl5.6 Cu2 F92 Mo4 N3 O14 Sb2 -","- C107 H31 Al2 As2 Cl2 Cu2 F92 Mo4 N3 O14 Sb2 -","- C428 H124 Al8 As8 Cl8 Cu8 F368 Mo16 N12 O56 Sb8 -","4","1","","Elsayed Moussa, Mehdi; Shelyganov, Pavel A.; Seidl, Michael; Zimmermann, Lisa; Scheer, Manfred","Supramolecular compounds assembled from the heteroleptic tetrahedral complex [{CpMo(CO)<sub>2</sub>}<sub>2</sub>(μ,η<sup>2</sup>-AsSb)] and metal salts.","Chemical communications (Cambridge, England)","2024","60","35","4703","4706","10.1039/d4cc01001a","","","1.54184","CuKα","","0.0757","0.0716","","","0.1842","0.1875","","","","","","1.078","","","","has coordinates,has disorder","291549","2024-05-05","01:14:51",""
"7132924","9.9325","0.0004","18.2411","0.0006","15.0008","0.0006","90","","102.356","0.004","90","","2654.89","0.18","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Si3 -","- C30 H30 Si3 -","- C120 H120 Si12 -","4","1","","Wakefield, 4th, Herbert; Melvin, Sophia J.; Jiang, Jennifer; Kevlishvili, Ilia; Siegler, Maxime A.; Craig, Stephen L.; Kulik, Heather J.; Klausen, Rebekka S.","Angle-strained sila-cycloalkynes.","Chemical communications (Cambridge, England)","2024","60","36","4842","4845","10.1039/d4cc00439f","","","0.71073","MoKα","","0.0602","0.0424","","","0.0877","0.0968","","","","","","1.039","","","","has coordinates","291543","2024-05-05","01:10:27",""
"7132925","12.98096","0.00008","26.6317","0.0002","10.50266","0.00007","90","","91.5598","0.0006","90","","3629.48","0.04","110","0.1","110","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H37 N3 Si3 -","- C37 H37 N3 Si3 -","- C148 H148 N12 Si12 -","4","1","","Wakefield, 4th, Herbert; Melvin, Sophia J.; Jiang, Jennifer; Kevlishvili, Ilia; Siegler, Maxime A.; Craig, Stephen L.; Kulik, Heather J.; Klausen, Rebekka S.","Angle-strained sila-cycloalkynes.","Chemical communications (Cambridge, England)","2024","60","36","4842","4845","10.1039/d4cc00439f","","","1.54178","CuKα","","0.0311","0.0297","","","0.0806","0.0816","","","","","","1.045","","","","has coordinates,has disorder","291543","2024-05-05","01:10:31",""
"7132926","24.3501","0.0013","11.0409","0.0004","25.4353","0.0011","90","","115.708","0.006","90","","6161.3","0.6","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 Si4 -","- C32 H36 Si4 -","- C256 H288 Si32 -","8","2","","Wakefield, 4th, Herbert; Melvin, Sophia J.; Jiang, Jennifer; Kevlishvili, Ilia; Siegler, Maxime A.; Craig, Stephen L.; Kulik, Heather J.; Klausen, Rebekka S.","Angle-strained sila-cycloalkynes.","Chemical communications (Cambridge, England)","2024","60","36","4842","4845","10.1039/d4cc00439f","","","1.54178","CuKα","","0.1212","0.067","","","0.155","0.1891","","","","","","0.995","","","","has coordinates","291543","2024-05-05","01:10:31",""
"7132927","8.8511","0.0003","10.7751","0.0003","14.2389","0.0004","81.33","0.002","88.876","0.002","74.316","0.002","1292.16","0.07","298","","298","","","","","","","","","5","P -1","-P 1","2","","NM-01-177","","- C35 H25 N O2 S -","- C35 H25 N O2 S -","- C70 H50 N2 O4 S2 -","2","1","","Malik, Nirmal; De, Ritobrata; Pal, Santanu Kumar; Ramasastry, S. S. V.","A one-pot telescopic synthesis of benzo[<i>b</i>]carbazoles and exploration of their liquid crystalline properties.","Chemical communications (Cambridge, England)","2024","60","36","4797","4800","10.1039/d4cc00721b","","x-ray","0.71073","MoKα","","0.0701","0.0526","","","0.1438","0.1768","","","","","","1.0481","","","","has coordinates","291544","2024-05-05","01:11:10",""
"7132928","32.431","0.002","24.9205","0.0017","24.931","0.003","90","","123.299","0.001","90","","16841","3","145","2","144.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C90 H80 B2 N6 Ni2 O4 -","- C90 H80 B2 N6 Ni2 O4 -","- C720 H640 B16 N48 Ni16 O32 -","8","1","","Patra, Suman; Atta, Sayan; Ghosh, Soumili; Majumdar, Amit; Dey, Abhishek","Kinetic isotope effect offers selectivity in CO<sub>2</sub> reduction.","Chemical communications (Cambridge, England)","2024","60","36","4826","4829","10.1039/d3cc06336d","","x-ray","0.71073","MoKα","","0.0475","0.0344","","","0.0796","0.0859","","","","","","1.034","","","","has coordinates,has disorder","291546","2024-05-05","01:12:21",""
"7132929","9.1074","0.0007","16.575","0.0012","14.4535","0.0011","90","","107.064","0.002","90","","2085.8","0.3","150","2","149.94","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Cl N3 Ni O7 -","- C19 H22 Cl N3 Ni O7 -","- C76 H88 Cl4 N12 Ni4 O28 -","4","1","","Patra, Suman; Atta, Sayan; Ghosh, Soumili; Majumdar, Amit; Dey, Abhishek","Kinetic isotope effect offers selectivity in CO<sub>2</sub> reduction.","Chemical communications (Cambridge, England)","2024","60","36","4826","4829","10.1039/d3cc06336d","","x-ray","0.71073","MoKα","","0.0361","0.0331","","","0.0837","0.0854","","","","","","1.062","","","","has coordinates","291546","2024-05-05","01:12:23",""
"7132930","31.0258","0.0011","12.8733","0.0005","16.8307","0.0006","90","","114.157","0.001","90","","6133.6","0.4","170","","170","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H66 N6 O17 P4 U2 -","- C62 H66 N6 O17 P4 U2 -","- C248 H264 N24 O68 P16 U8 -","4","0.5","","Yang, Xiaofan; Fang, Dong; Wang, Shihui; Tian, Zhenjiang; Xu, Lei; Liu, Jiyong; Zhang, Anyun; Xiao, Chengliang","Epimerization effects on coordination behaviours of phenanthroline-based phosphine-oxide ligands with uranyl ions.","Chemical communications (Cambridge, England)","2024","60","38","5042","5045","10.1039/d4cc00258j","","x-ray","1.34139","GaKα","","0.0483","0.047","","","0.1111","0.1121","","","","","","1.114","","","","has coordinates,has disorder","292844","2024-07-05","13:41:49",""
"7132931","10.1143","0.0004","28.2649","0.0012","8.4249","0.0004","90","","98.202","0.002","90","","2383.87","0.18","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N2 O2 P2 -","- C28 H26 N2 O2 P2 -","- C112 H104 N8 O8 P8 -","4","1","","Yang, Xiaofan; Fang, Dong; Wang, Shihui; Tian, Zhenjiang; Xu, Lei; Liu, Jiyong; Zhang, Anyun; Xiao, Chengliang","Epimerization effects on coordination behaviours of phenanthroline-based phosphine-oxide ligands with uranyl ions.","Chemical communications (Cambridge, England)","2024","60","38","5042","5045","10.1039/d4cc00258j","","","1.34139","GaKα","","0.0434","0.0387","","","0.0983","0.1009","","","","","","1.059","","","","has coordinates","292844","2024-07-05","13:41:49",""
"7132932","19.1125","0.0008","10.6852","0.0004","17.9947","0.0007","90","","107.716","0.001","90","","3500.6","0.2","170","","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H52 N10 O28 P4 U3 -","- C56 H52 N10 O28 P4 U3 -","- C112 H104 N20 O56 P8 U6 -","2","0.5","","Yang, Xiaofan; Fang, Dong; Wang, Shihui; Tian, Zhenjiang; Xu, Lei; Liu, Jiyong; Zhang, Anyun; Xiao, Chengliang","Epimerization effects on coordination behaviours of phenanthroline-based phosphine-oxide ligands with uranyl ions.","Chemical communications (Cambridge, England)","2024","60","38","5042","5045","10.1039/d4cc00258j","","","1.34139","GaKα","","0.0487","0.0375","","","0.0793","0.0827","","","","","","1.082","","","","has coordinates","292844","2024-07-05","13:41:49",""
"7132933","8.231","0.0003","11.7984","0.0005","13.6524","0.0005","73.829","0.001","85.363","0.001","76.865","0.001","1239.83","0.08","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 N2 O2 P2 -","- C28 H26 N2 O2 P2 -","- C56 H52 N4 O4 P4 -","2","1","","Yang, Xiaofan; Fang, Dong; Wang, Shihui; Tian, Zhenjiang; Xu, Lei; Liu, Jiyong; Zhang, Anyun; Xiao, Chengliang","Epimerization effects on coordination behaviours of phenanthroline-based phosphine-oxide ligands with uranyl ions.","Chemical communications (Cambridge, England)","2024","60","38","5042","5045","10.1039/d4cc00258j","","","0.71073","MoKα","","0.0351","0.0332","","","0.0887","0.0903","","","","","","1.085","","","","has coordinates","292844","2024-07-05","13:41:49",""
"7132934","13.2573","0.001","14.2636","0.001","18.3627","0.0013","104.34","0.001","93.693","0.001","98.57","0.001","3307.9","0.4","133.15","","133.15","","","","","","","","","4","P -1","-P 1","2","","","","- C72 H98 S2 Tm -","- C72 H98 S2 Tm -","- C144 H196 S4 Tm2 -","2","1","","Gilbert-Bass, Kito; Stennett, Cary R.; Grotjahn, Robin; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Exploring sulfur donor atom coordination chemistry with La(II), Nd(II), and Tm(II) using a terphenylthiolate ligand.","Chemical communications (Cambridge, England)","2024","60","34","4601","4604","10.1039/d4cc01037j","","","0.71073","MoKα","","0.0452","0.0331","","","0.0728","0.0774","","","","","","1.03","","","","has coordinates,has disorder","291550","2024-05-05","01:15:58",""
"7132935","13.3492","0.0008","14.1047","0.0008","18.6556","0.0011","102.433","0.001","94.721","0.001","99.287","0.001","3360.2","0.3","133.15","","133.15","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H98 I Nd S2 -","- C72 H98 I Nd S2 -","- C144 H196 I2 Nd2 S4 -","2","1","","Gilbert-Bass, Kito; Stennett, Cary R.; Grotjahn, Robin; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Exploring sulfur donor atom coordination chemistry with La(II), Nd(II), and Tm(II) using a terphenylthiolate ligand.","Chemical communications (Cambridge, England)","2024","60","34","4601","4604","10.1039/d4cc01037j","","","0.71073","MoKα","","0.0504","0.0344","","","0.0744","0.0809","","","","","","1.023","","","","has coordinates,has disorder","291550","2024-05-05","01:16:03",""
"7132936","13.2169","0.0007","14.2162","0.0008","18.5245","0.001","104.917","0.001","93.8221","0.001","97.9184","0.001","3312.3","0.3","93.15","","93.15","","","","","","","","","4","P -1","-P 1","2","","","","- C72 H98 Nd S2 -","- C72 H98 Nd S2 -","- C144 H196 Nd2 S4 -","2","1","","Gilbert-Bass, Kito; Stennett, Cary R.; Grotjahn, Robin; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Exploring sulfur donor atom coordination chemistry with La(II), Nd(II), and Tm(II) using a terphenylthiolate ligand.","Chemical communications (Cambridge, England)","2024","60","34","4601","4604","10.1039/d4cc01037j","","","0.71073","MoKα","","0.0646","0.055","","","0.1403","0.1452","","","","","","1.096","","","","has coordinates,has disorder","291550","2024-05-05","01:16:04",""
"7132937","13.2786","0.0013","14.2335","0.0014","18.678","0.0019","102.71","0.002","94.255","0.002","99.004","0.002","3379.5","0.6","133.15","","133.15","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H98 I La S2 -","- C72 H98 I La S2 -","- C144 H196 I2 La2 S4 -","2","1","","Gilbert-Bass, Kito; Stennett, Cary R.; Grotjahn, Robin; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Exploring sulfur donor atom coordination chemistry with La(II), Nd(II), and Tm(II) using a terphenylthiolate ligand.","Chemical communications (Cambridge, England)","2024","60","34","4601","4604","10.1039/d4cc01037j","","","0.71073","MoKα","","0.1234","0.0518","","","0.0887","0.1099","","","","","","0.958","","","","has coordinates,has disorder","291550","2024-05-05","01:16:04",""
"7132938","13.209","0.0004","14.2623","0.0004","18.5499","0.0006","104.544","0.002","93.628","0.002","98.433","0.002","3327.73","0.18","92.85","","92.85","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H98 I0.13 La S2 -","- C72 H98 I0.129 La S2 -","- C144 H196 I0.258 La2 S4 -","2","1","","Gilbert-Bass, Kito; Stennett, Cary R.; Grotjahn, Robin; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Exploring sulfur donor atom coordination chemistry with La(II), Nd(II), and Tm(II) using a terphenylthiolate ligand.","Chemical communications (Cambridge, England)","2024","60","34","4601","4604","10.1039/d4cc01037j","","","1.54178","CuKα","","0.1198","0.0874","","","0.2059","0.222","","","","","","1.043","","","","has coordinates,has disorder","291550","2024-05-05","01:16:04",""
"7132939","16.0032","0.0013","18.7417","0.0015","24.3011","0.0019","90","","90","","90","","7288.6","1","93.15","","93.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C84 H108 N2 S2 Sm -","- C84 H108 N2 S2 Sm -","- C336 H432 N8 S8 Sm4 -","4","0.5","","Gilbert-Bass, Kito; Stennett, Cary R.; Grotjahn, Robin; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Exploring sulfur donor atom coordination chemistry with La(II), Nd(II), and Tm(II) using a terphenylthiolate ligand.","Chemical communications (Cambridge, England)","2024","60","34","4601","4604","10.1039/d4cc01037j","","","0.71073","MoKα","","0.0556","0.0433","","","0.0978","0.1027","","","","","","1.146","","","","has coordinates,has disorder","291550","2024-05-05","01:16:04",""
"7132940","15.9566","0.0015","18.7918","0.0017","24.254","0.002","90","","90","","90","","7272.6","1.1","93.15","","93.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C84 H108 N2 Nd S2 -","- C84 H108 N2 Nd S2 -","- C336 H432 N8 Nd4 S8 -","4","0.5","","Gilbert-Bass, Kito; Stennett, Cary R.; Grotjahn, Robin; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Exploring sulfur donor atom coordination chemistry with La(II), Nd(II), and Tm(II) using a terphenylthiolate ligand.","Chemical communications (Cambridge, England)","2024","60","34","4601","4604","10.1039/d4cc01037j","","","0.71073","MoKα","","0.0645","0.0397","","","0.0969","0.1098","","","","","","1.027","","","","has coordinates,has disorder","291550","2024-05-05","01:16:04",""
"7132941","10.9048","0.0001","14.2184","0.0002","11.9956","0.0001","90","","110.377","0.001","90","","1743.51","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H22 N2 O2 S -","- C17 H22 N2 O2 S -","- C68 H88 N8 O8 S4 -","4","2","","Wei, Tao; Xie, Ming-Sheng; Guo, Hai-Ming","Construction of thioglycoside bonds <i>via</i> an asymmetric organocatalyzed sulfa-Michael/aldol reaction: access to 4'-thionucleosides.","Chemical communications (Cambridge, England)","2024","60","38","5018","5021","10.1039/d4cc00984c","","x-ray","1.54184","CuKα","","0.0768","0.0732","","","0.2","0.2085","","","","","","1.137","","","","has coordinates","292841","2024-07-05","13:41:09",""
"7132942","8.252","0.0007","14.7387","0.0013","15.4992","0.0013","90","","96.548","0.003","90","","1872.8","0.3","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 N2 O S -","- C23 H18 N2 O S -","- C92 H72 N8 O4 S4 -","4","1","","Wang, Xinxin; Wang, Jie; Ji, Meishan; Wu, Xinxin; Zhu, Chen","<i>Z</i>-selective radical difunctionalization of aromatic alkynes: synthesis of multi-substituted triarylethenes.","Chemical communications (Cambridge, England)","2024","60","37","4894","4897","10.1039/d4cc01315h","","","0.71073","MoKα","","0.0951","0.0469","","","0.0963","0.1062","","","","","","1.022","","","","has coordinates","291508","2024-05-05","00:47:40",""
"7132943","12.5347","0.0007","15.7748","0.0008","19.3093","0.001","90","","98.0108","0.0016","90","","3780.8","0.3","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H16 F N O S -","- C23 H16 F N O S -","- C184 H128 F8 N8 O8 S8 -","8","1","","Wang, Xinxin; Wang, Jie; Ji, Meishan; Wu, Xinxin; Zhu, Chen","<i>Z</i>-selective radical difunctionalization of aromatic alkynes: synthesis of multi-substituted triarylethenes.","Chemical communications (Cambridge, England)","2024","60","37","4894","4897","10.1039/d4cc01315h","","","0.71073","MoKα","","0.0927","0.0674","","","0.1992","0.2219","","","","","","1.05","","","","has coordinates","291508","2024-05-05","00:47:47",""
"7132944","13.5793","0.0002","15.3135","0.0003","15.4699","0.0002","117.216","0.0016","113.848","0.0016","92.658","0.0014","2508.49","0.1","93.15","","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C100 H86 N2 O32 P4 W10 -","- C100 H86 N2 O32 P4 W10 -","- C100 H86 N2 O32 P4 W10 -","1","0.5","","Gu, Chen; Yatabe, Takafumi; Yamaguchi, Kazuya; Suzuki, Kosuke","Photocatalytic aerobic α-oxygenation of amides to imides using a highly durable decatungstate tetraphenylphosphonium salt.","Chemical communications (Cambridge, England)","2024","60","37","4906","4909","10.1039/d4cc01016g","","x-ray","0.71073","MoKα","","0.0514","0.036","","","0.0806","0.0857","","","","","","1.025","","","","has coordinates,has disorder","291509","2024-05-05","00:48:17",""
"7132945","12.7611","0.0003","18.5038","0.0003","14.1018","0.0003","90","","100.643","0.002","90","","3272.56","0.12","169.99","0.1","169.99","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C41.5 H21.5 Cl0.25 N5 O5.5 -","- C40.5 H19.5 N4.5 O3 -","- C162 H78 N18 O12 -","4","1","","Zhang, Fan; Du, Xu-Sheng; Song, Kui-Zhu; Han, Ying; Lu, Hai-Yan; Chen, Chuan-Feng","A calix[3]carbazole-based cavitand: synthesis, structure and its complexation with fullerenes.","Chemical communications (Cambridge, England)","2024","60","37","4962","4965","10.1039/d4cc00928b","","x-ray","1.54184","CuKα","","0.0602","0.0457","","","0.1254","0.1341","","","","","","1.06","","","","has coordinates","291506","2024-05-05","00:46:11",""
"7132946","30.8326","0.0016","13.5754","0.0007","31.1005","0.0015","90","","106.96","0.006","90","","12451.4","1.2","169.98","0.1","169.98","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C81.46 H39.92 Cl0.92 N9 O6 -","- C81.461 H39.922 Cl0.922 N9 O6 -","- C651.688 H319.376 Cl7.376 N72 O48 -","8","1","","Zhang, Fan; Du, Xu-Sheng; Song, Kui-Zhu; Han, Ying; Lu, Hai-Yan; Chen, Chuan-Feng","A calix[3]carbazole-based cavitand: synthesis, structure and its complexation with fullerenes.","Chemical communications (Cambridge, England)","2024","60","37","4962","4965","10.1039/d4cc00928b","","x-ray","1.54184","CuKα","","0.1954","0.121","","","0.274","0.3023","","","","","","1.532","","","","has coordinates,has disorder","291506","2024-05-05","00:46:15",""
"7132947","13.0791","0.0004","32.0488","0.0009","27.0224","0.0009","90","","94.916","0.003","90","","11285.3","0.6","169.98","0.1","169.98","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C153 H47 Cl4 N9 O6 -","- C153 H47 Cl4 N9 O6 -","- C612 H188 Cl16 N36 O24 -","4","1","","Zhang, Fan; Du, Xu-Sheng; Song, Kui-Zhu; Han, Ying; Lu, Hai-Yan; Chen, Chuan-Feng","A calix[3]carbazole-based cavitand: synthesis, structure and its complexation with fullerenes.","Chemical communications (Cambridge, England)","2024","60","37","4962","4965","10.1039/d4cc00928b","","x-ray","1.54184","CuKα","","0.1961","0.1425","","","0.4056","0.4366","","","","","","1.512","","","","has coordinates","291506","2024-05-05","00:46:15",""
"7132948","26.5926","0.0007","32.943","0.0007","30.1206","0.0012","90","","113.007","0.004","90","","24288","1.5","169.99","0.1","169.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C163 H47 Cl4 N9 O6 -","- C163 H47 Cl4 N9 O6 -","- C1304 H376 Cl32 N72 O48 -","8","2","","Zhang, Fan; Du, Xu-Sheng; Song, Kui-Zhu; Han, Ying; Lu, Hai-Yan; Chen, Chuan-Feng","A calix[3]carbazole-based cavitand: synthesis, structure and its complexation with fullerenes.","Chemical communications (Cambridge, England)","2024","60","37","4962","4965","10.1039/d4cc00928b","","x-ray","1.54184","CuKα","","0.2002","0.1108","","","0.2615","0.2962","","","","","","1.395","","","","has coordinates","291506","2024-05-05","00:46:15",""
"7132949","14.0305","0.0009","8.0731","0.0005","18.9296","0.0012","90","","94.608","0.002","90","","2137.2","0.2","110","","110","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TTM-1CN","BnBTM","","- C20 H6 Cl8 N -","- C19.9999 H6 Cl8.0001 N0.9999 -","- C79.9996 H24 Cl32.0004 N3.9996 -","4","1","","Lv, Kuo; Zhang, Minzhe; Xia, Xin; Liu, Wenjing; Wan, Keke; Zhang, Ming; Li, Feng","Cyano modified triphenylmethyl radical skeletons: higher stability and efficiency.","Chemical communications (Cambridge, England)","2024","60","36","4846","4849","10.1039/d4cc00903g","","","0.71073","MoKα","","0.0684","0.0582","","","0.1252","0.1312","","","","","","1.148","","","","has coordinates,has disorder","291547","2024-05-05","01:12:57",""
"7132950","8.2197","0.0011","11.2036","0.0015","13.6336","0.0018","67.189","0.005","84.761","0.005","73.004","0.005","1106.4","0.3","201","","201","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H6 Cl7 N2 -","- C21 H6 Cl7 N2 -","- C42 H12 Cl14 N4 -","2","1","","Lv, Kuo; Zhang, Minzhe; Xia, Xin; Liu, Wenjing; Wan, Keke; Zhang, Ming; Li, Feng","Cyano modified triphenylmethyl radical skeletons: higher stability and efficiency.","Chemical communications (Cambridge, England)","2024","60","36","4846","4849","10.1039/d4cc00903g","","","0.71073","MoKα","","0.0515","0.0443","","","0.1014","0.1067","","","","","","1.035","","","","has coordinates,has disorder","291547","2024-05-05","01:13:03",""
"7132951","7.7575","0.0002","11.8553","0.0003","12.4714","0.0003","68.379","0.002","88.015","0.002","75.886","0.002","1032.14","0.05","99.98","0.15","99.98","0.15","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Cl N O2 -","- C26 H22 Cl N O2 -","- C52 H44 Cl2 N2 O4 -","2","1","","Sui, Jia-Li; Zhong, Long-Jin; Xiong, Bi-Quan; Tang, Ke-Wen; Liu, Yu","Regioselective synthesis of N-containing polycyclic compounds <i>via</i> radical annulation cyclization of 1,7-dienes with aldehydes.","Chemical communications (Cambridge, England)","2024","60","36","4834","4837","10.1039/d4cc00964a","","x-ray","1.54184","CuKα","","0.0321","0.0315","","","0.0803","0.0807","","","","","","1.0401","","","","has coordinates","291545","2024-05-05","01:11:49",""
"7132952","16.3685","0.0003","10.1416","0.0002","33.0222","0.0007","90","","92.147","0.002","90","","5477.93","0.19","295.62","0.13","295.62","0.13","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C256 H304 N16 O32 -","16","4","","Liu, Zhaosheng; Ji, Xiaochen; Duan, Lilan; Deng, Guo-Jun; Huang, Huawen","Accessing pyrrolo[1,2-<i>a</i>]indole derivatives <i>via</i> visible-light-induced dearomatizative cyclization of indoles.","Chemical communications (Cambridge, England)","2024","60","37","4902","4905","10.1039/d4cc01215a","","x-ray","1.54184","CuKα","","0.1065","0.0728","","","0.2019","0.2424","","","","","","1.041","","","","has coordinates","291510","2024-05-05","00:48:59",""
"7132953","19.4445","0.0016","8.085","0.0005","15.4094","0.0013","90","","111.936","0.01","90","","2247.1","0.3","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C104 H120 N8 O16 -","8","2","","Liu, Zhaosheng; Ji, Xiaochen; Duan, Lilan; Deng, Guo-Jun; Huang, Huawen","Accessing pyrrolo[1,2-<i>a</i>]indole derivatives <i>via</i> visible-light-induced dearomatizative cyclization of indoles.","Chemical communications (Cambridge, England)","2024","60","37","4902","4905","10.1039/d4cc01215a","","x-ray","0.71073","MoKα","","0.0916","0.0753","","","0.2228","0.234","","","","","","1.082","","","","has coordinates","291510","2024-05-05","00:49:05",""
"7132954","12.0197","0.0007","12.0255","0.0007","13.0084","0.0008","87.125","0.005","64.484","0.006","67.794","0.006","1556.7","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H36 N2 O2 -","- C40 H36 N2 O2 -","- C80 H72 N4 O4 -","2","1","","Ishikawa, Shuhei; Sakamaki, Daisuke; Gon, Masayuki; Tanaka, Kazuo; Fujiwara, Hideki","Solvent-free synthesis and chiroptical properties of a C-N axially chiral cruciform dimer of benzo[<i>b</i>]phenoxazine.","Chemical communications (Cambridge, England)","2024","60","37","4946","4949","10.1039/d4cc00977k","","","1.54187","CuKα","","0.0533","0.0471","","","0.1306","0.1362","","","","","","1.042","","","","has coordinates","291511","2024-05-05","00:49:49",""
"7132955","12.3589","0.0002","12.8347","0.0003","22.1604","0.0003","79.4229","0.0015","87.2486","0.0013","87.6565","0.0016","3449.59","0.11","100","","100","","","","","","","","","4","P 1","P 1","1","","","","- C43 H43 N2 O2 -","- C43 H43 N2 O2 -","- C172 H172 N8 O8 -","4","4","","Ishikawa, Shuhei; Sakamaki, Daisuke; Gon, Masayuki; Tanaka, Kazuo; Fujiwara, Hideki","Solvent-free synthesis and chiroptical properties of a C-N axially chiral cruciform dimer of benzo[<i>b</i>]phenoxazine.","Chemical communications (Cambridge, England)","2024","60","37","4946","4949","10.1039/d4cc00977k","","","1.54187","CuKα","","0.0571","0.0518","","","0.1398","0.147","","","","","","1.062","","","","has coordinates","296876","2024-12-16","17:34:43",""
"7132956","12.3589","0.0003","12.8455","0.0003","22.1587","0.0004","79.4344","0.0017","87.2227","0.0016","87.6319","0.0019","3452.24","0.13","99","","99","","","","","","","","","4","P 1","P 1","1","","","","- C86 H86 N4 O4 -","- C86 H86 N4 O4 -","- C172 H172 N8 O8 -","2","2","","Ishikawa, Shuhei; Sakamaki, Daisuke; Gon, Masayuki; Tanaka, Kazuo; Fujiwara, Hideki","Solvent-free synthesis and chiroptical properties of a C-N axially chiral cruciform dimer of benzo[<i>b</i>]phenoxazine.","Chemical communications (Cambridge, England)","2024","60","37","4946","4949","10.1039/d4cc00977k","","","1.54187","CuKα","","0.063","0.0575","","","0.1568","0.1611","","","","","","1.051","","","","has coordinates","291511","2024-05-05","00:49:55",""
"7132957","6.3783","0.0002","7.1006","0.0003","31.5404","0.0012","90","","93.88","0.002","90","","1425.18","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","1","","Gao, Ying; Wang, Mingxu; Sun, Jingxian; Zhao, Xiao-Jing; He, Yonghui","Electrochemical-induced solvent-tuned selective C(sp<sup>3</sup>)-H bond activation towards the synthesis of C3-functionalized chromone derivatives.","Chemical communications (Cambridge, England)","2024","60","38","5050","5053","10.1039/d4cc00919c","","","1.54178","CuKα","","0.0652","0.0442","","","0.11","0.1204","","","","","","1.072","","","","has coordinates","292845","2024-07-05","13:42:00",""
"7132958","12.912","0.0016","16.473","0.002","22.588","0.003","71.34","0.002","83.507","0.002","79.792","0.002","4471.7","1","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H45 B2 F4 N5 O2 -","- C50 H45 B2 F4 N5 O2 -","- C200 H180 B8 F16 N20 O8 -","4","2","","Wang, Long; Cheng, Cheng; Yu, Changjiang; Wu, Qinghua; Kang, Zhengxin; Wang, Hua; Jiao, Lijuan; Hao, Erhong","NIR-absorbing and emitting α,α-nitrogen-bridged BODIPY dimers with strong excitonic coupling.","Chemical communications (Cambridge, England)","2024","60","38","5054","5057","10.1039/d4cc00878b","","","0.71073","MoKα","","0.1584","0.0819","","","0.2159","0.2626","","","","","","0.966","","","","has coordinates","292846","2024-07-05","13:42:12",""
"7132959","12.4495","0.0002","20.4914","0.0004","5.0901","0.0001","90","","90","","90","","1298.52","0.04","113.15","","113.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H14 F N O -","- C17 H14 F N O -","- C68 H56 F4 N4 O4 -","4","1","","Liu, Hongxin; Tang, Tingyu; Li, Bin; Wang, Baiquan","Manganese(I)-catalyzed nucleophilic addition of C(sp<sup>3</sup>)-H bonds to aldehydes.","Chemical communications (Cambridge, England)","2024","60","38","5066","5069","10.1039/d4cc01338g","","x-ray","0.71073","MoKα","","0.0535","0.0488","","","0.1279","0.1326","","","","","","1.061","","","","has coordinates","292843","2024-07-05","13:41:30",""
"7132960","7.631","0.00018","8.00772","0.00017","20.9823","0.0005","90","","98.411","0.002","90","","1268.37","0.05","113.15","","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Mn N O4 -","- C14 H8 Mn N O4 -","- C56 H32 Mn4 N4 O16 -","4","1","","Liu, Hongxin; Tang, Tingyu; Li, Bin; Wang, Baiquan","Manganese(I)-catalyzed nucleophilic addition of C(sp<sup>3</sup>)-H bonds to aldehydes.","Chemical communications (Cambridge, England)","2024","60","38","5066","5069","10.1039/d4cc01338g","","x-ray","0.71073","MoKα","","0.0404","0.0363","","","0.0932","0.097","","","","","","1.072","","","","has coordinates","292843","2024-07-05","13:41:30",""
"7132961","37.256","0.006","37.256","0.006","5.1212","0.0011","90","","90","","120","","6155.9","1.9","170","","170","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C34 H34 S2 -","- C34 H34 S2 -","- C306 H306 S18 -","9","0.5","","Su, Yangzhe; Wang, Min; Xu, Jianping; Chen, Weinan; Zhou, Gang","C-H arylation of thiopyran derivatives with aryl halides.","Chemical communications (Cambridge, England)","2024","60","39","5193","5196","10.1039/d4cc00719k","","","0.71073","MoKα","","0.1364","0.0694","","","0.1313","0.1663","","","","","","1.046","","","","has coordinates","292795","2024-07-05","13:22:37",""
"7132962","14.9168","0.0003","5.1215","0.0001","80.8465","0.0018","90","","92.323","0.002","90","","6171.3","0.2","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 S -","- C30 H22 S -","- C360 H264 S12 -","12","3","","Su, Yangzhe; Wang, Min; Xu, Jianping; Chen, Weinan; Zhou, Gang","C-H arylation of thiopyran derivatives with aryl halides.","Chemical communications (Cambridge, England)","2024","60","39","5193","5196","10.1039/d4cc00719k","","x-ray","1.54184","CuKα","","0.1025","0.0778","","","0.163","0.1717","","","","","","1.136","","","","has coordinates","292795","2024-07-05","13:22:38",""
"7132963","12.0192","0.0007","13.1986","0.0007","13.5978","0.0007","91.326","0.002","92.661","0.003","113.371","0.003","1975.96","0.19","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C27 H24 S -","- C27 H24 S -","- C108 H96 S4 -","4","2","","Su, Yangzhe; Wang, Min; Xu, Jianping; Chen, Weinan; Zhou, Gang","C-H arylation of thiopyran derivatives with aryl halides.","Chemical communications (Cambridge, England)","2024","60","39","5193","5196","10.1039/d4cc00719k","","","1.54178","CuKα","","0.1175","0.1065","","","0.2886","0.2967","","","","","","1.104","","","","has coordinates","292795","2024-07-05","13:22:38",""
"7132964","10.34","0.003","15.24","0.005","11.008","0.003","90","","94.938","0.017","90","","1728.2","0.9","273.15","","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 F3 N2 -","- C19 H19 F3 N2 -","- C76 H76 F12 N8 -","4","1","","Yang, Ming; Meng, Yu-Xuan; Mehfooz, Haroon; Zhao, Yu-Long","Visible light-promoted [3+2] cyclization reaction of vinyl azides with perfluoroalkyl-substituted-imidoyl sulfoxonium ylides.","Chemical communications (Cambridge, England)","2024","60","41","5407","5410","10.1039/d4cc00777h","","","1.54178","CuKα","","0.1045","0.072","","","0.1845","0.226","","","","","","1.108","","","","has coordinates","292775","2024-07-05","13:14:33",""
"7132965","21.901","0.0016","11.9356","0.0011","10.1958","0.0008","90","","95.864","0.007","90","","2651.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H33 N O2 -","- C34 H33 N O2 -","- C136 H132 N4 O8 -","4","1","","Pramanik, Shyamal; Samanta, Apurba; Maity, Soumitra","A two carbon homologation of Friedel-Crafts alkylation enabled by photochemical alkene stitching: modular assembly of cyclolignans.","Chemical communications (Cambridge, England)","2024","60","40","5282","5285","10.1039/d4cc00957f","","","0.71073","MoKα","","0.1098","0.0544","","","0.1299","0.1538","","","","","","1.028","","","","has coordinates","292821","2024-07-05","13:32:56",""
"7132966","13.0879","0.0016","11.0775","0.001","14.0938","0.0012","90","","102.597","0.01","90","","1994.1","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 O6 -","- C22 H26 O6 -","- C88 H104 O24 -","4","1","","Pramanik, Shyamal; Samanta, Apurba; Maity, Soumitra","A two carbon homologation of Friedel-Crafts alkylation enabled by photochemical alkene stitching: modular assembly of cyclolignans.","Chemical communications (Cambridge, England)","2024","60","40","5282","5285","10.1039/d4cc00957f","","","0.71073","MoKα","","0.0799","0.0482","","","0.114","0.1268","","","","","","1.049","","","","has coordinates","292821","2024-07-05","13:32:56",""
"7132967","14.143","0.002","9.9829","0.0015","25.111","0.005","90","","96.777","0.005","90","","3520.6","1","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N12 O8 S Zn3 -","- C18 H16 N12 O8 S Zn3 -","- C72 H64 N48 O32 S4 Zn12 -","4","1","","Deng, Yu-Xin; Yang, Guo-Ping; Wang, Yao-Yu","Pure separation of acetylene based on a sulfonic acid and amino group functionalized Zn-MOF.","Chemical communications (Cambridge, England)","2024","60","38","5046","5049","10.1039/d4cc00863d","","","0.71073","MoKα","","0.1191","0.0896","","","0.2568","0.2797","","","","","","1.029","","","","has coordinates,has disorder","292847","2024-07-05","13:42:24",""
"7132968","14.0795","0.0007","9.851","0.0005","25.9541","0.0012","90","","95.909","0.002","90","","3580.6","0.3","210","","210","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N12 O7 S Zn3 -","- C18 H14 N12 O7 S Zn3 -","- C72 H56 N48 O28 S4 Zn12 -","4","1","","Deng, Yu-Xin; Yang, Guo-Ping; Wang, Yao-Yu","Pure separation of acetylene based on a sulfonic acid and amino group functionalized Zn-MOF.","Chemical communications (Cambridge, England)","2024","60","38","5046","5049","10.1039/d4cc00863d","","","0.71073","MoKα","","0.051","0.0412","","","0.1296","0.1367","","","","","","1.044","","","","has coordinates,has disorder","292847","2024-07-05","13:42:24",""
"7132969","9.951","0.0008","10.5842","0.0009","14.9945","0.0012","96.395","0.007","99.389","0.007","117.914","0.008","1344.5","0.2","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H28 Cl2 O8 -","- C32 H28 Cl2 O8 -","- C64 H56 Cl4 O16 -","2","1","","Kelsey, Shaun R.; Griaznov, Georgii; Spaeth, Andrew D.; Janzen, Daron E.; Douglas, Justin T.; Thompson, Ward H.; Barybin, Mikhail V.","Tuning the redox profile of the 6,6'-biazulenic platform through functionalization along its molecular axis.","Chemical communications (Cambridge, England)","2024","60","39","5213","5216","10.1039/d4cc00656a","","x-ray","0.71073","MoKα","","0.0753","0.0527","","","0.1357","0.1598","","","","","","1.062","","","","has coordinates","292796","2024-07-05","13:22:57",""
"7132970","7.28","0.004","6.305","0.004","7.992","0.005","90","","92.33","0.01","90","","366.5","0.4","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Fe Nb Te2 -","- Fe Nb Te2 -","- Fe4 Nb4 Te8 -","4","1","","Stepanova, Anna V.; Mironov, Andrei V.; Bogach, Alexey V.; Azarevich, Andrey N.; Presniakov, Igor A.; Sobolev, Alexey V.; Pankratov, Denis A.; Zayakhanov, Vladimir A.; Starchikov, Sergey S.; Verchenko, Valeriy Yu; Shevelkov, Andrei V.","Bulk ferromagnetism in cleavable van der Waals telluride NbFeTe<sub>2</sub>.","Chemical communications (Cambridge, England)","2024","60","42","5518","5521","10.1039/d4cc01160k","","x-ray","0.71073","MoKα","","0.0387","0.0387","","","0.0475","0.0475","","","","1.21","1.21","1.21","","","","has coordinates","292791","2024-07-05","13:20:53",""
"7132971","11.711","0.0005","12.5996","0.0005","16.8271","0.0008","96.344","0.0014","100.608","0.0015","116.094","0.0013","2139.53","0.16","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H46 F3 Fe N3 P2 -","- C52 H46 F3 Fe N3 P2 -","- C104 H92 F6 Fe2 N6 P4 -","2","1","","Stevens, Jeremiah E.; Miller, Justin D.; Fitzsimmons, Matthew C.; Moore, Curtis E.; Thomas, Christine M.","<i>Z</i>-selective dimerization of terminal alkynes by a (PNNP)Fe<sup>II</sup> complex.","Chemical communications (Cambridge, England)","2024","60","39","5169","5172","10.1039/d4cc00469h","","x-ray","0.71073","MoKα","K-L~3~","0.0417","0.0323","","","0.0796","0.0855","","","","","","1.047","","","","has coordinates","292794","2024-07-05","13:21:57",""
"7132972","10.7765","0.0008","13.6127","0.0009","14.6156","0.001","90.015","0.002","96.865","0.003","100.703","0.002","2091.1","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H50 Fe N4 P2 -","- C48 H50 Fe N4 P2 -","- C96 H100 Fe2 N8 P4 -","2","1","","Stevens, Jeremiah E.; Miller, Justin D.; Fitzsimmons, Matthew C.; Moore, Curtis E.; Thomas, Christine M.","<i>Z</i>-selective dimerization of terminal alkynes by a (PNNP)Fe<sup>II</sup> complex.","Chemical communications (Cambridge, England)","2024","60","39","5169","5172","10.1039/d4cc00469h","","x-ray","0.71073","MoKα","K-L~3~","0.0423","0.0324","","","0.0826","0.089","","","","","","1.069","","","","has coordinates,has disorder","292794","2024-07-05","13:22:02",""
"7132973","13.4659","0.0008","13.8415","0.0008","14.7796","0.0009","93.409","0.0019","105.088","0.002","106.332","0.0018","2526.2","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H52 F6 Fe N2 O P2 -","- C60 H52 F6 Fe N2 O P2 -","- C120 H104 F12 Fe2 N4 O2 P4 -","2","1","","Stevens, Jeremiah E.; Miller, Justin D.; Fitzsimmons, Matthew C.; Moore, Curtis E.; Thomas, Christine M.","<i>Z</i>-selective dimerization of terminal alkynes by a (PNNP)Fe<sup>II</sup> complex.","Chemical communications (Cambridge, England)","2024","60","39","5169","5172","10.1039/d4cc00469h","","x-ray","0.71073","MoKα","K-L~3~","0.0586","0.0455","","","0.1167","0.124","","","","","","1.062","","","","has coordinates,has disorder","292794","2024-07-05","13:22:02",""
"7132974","29.4666","0.0015","13.8824","0.0007","16.5411","0.0007","90","","114.212","0.0014","90","","6171.2","0.5","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H64 F4 Fe N2 P2 -","- C78 H64 F4 Fe N2 P2 -","- C312 H256 F16 Fe4 N8 P8 -","4","0.5","","Stevens, Jeremiah E.; Miller, Justin D.; Fitzsimmons, Matthew C.; Moore, Curtis E.; Thomas, Christine M.","<i>Z</i>-selective dimerization of terminal alkynes by a (PNNP)Fe<sup>II</sup> complex.","Chemical communications (Cambridge, England)","2024","60","39","5169","5172","10.1039/d4cc00469h","","x-ray","0.71073","MoKα","K-L~3~","0.0416","0.0311","","","0.0788","0.0855","","","","","","1.075","","","","has coordinates,has disorder","292794","2024-07-05","13:22:03",""
"7132975","15.6096","0.0003","16.4461","0.0003","16.1674","0.0003","90","","96.743","0.001","90","","4121.74","0.13","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H20 N2 O3 -","- C26 H20 N2 O3 -","- C208 H160 N16 O24 -","8","1","","Zhao, Shuang; Chen, Mengxiao; Zhou, Wenlu; Ni, Dan; Li, Zhenghua; Nie, Shenyou; He, Yi","Green synthesis for diverse bioactive benzo-fused spiroindolines through DBU-catalysed post-Ugi double cyclization.","Chemical communications (Cambridge, England)","2024","60","41","5455","5458","10.1039/d4cc00846d","","x-ray","1.54184","CuKα","","0.0524","0.0456","","","0.1247","0.1377","","","","","","1.096","","","","has coordinates","292774","2024-07-05","13:14:23",""
"7132976","10.0719","0.0006","10.5354","0.0007","10.8948","0.0007","92.2576","0.0015","111.172","0.0014","93.0417","0.0015","1074.38","0.12","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H18 N2 O4 -","- C28 H18 N2 O4 -","- C56 H36 N4 O8 -","2","1","","Akbari, Alireza; Khosravi, Hormoz; Bauer, Felix; Rominger, Frank; Breit, Bernhard; Balalaie, Saeed","Metal- and solvent-free domino reaction of 2-isocyanophenol esters to benzoxazines: long-range 1,5-acyl migration on 1,4-diazabutatriene.","Chemical communications (Cambridge, England)","2024","60","41","5451","5454","10.1039/d4cc01214c","","","0.71073","MoKα","","0.0888","0.0525","","","0.1027","0.1174","","","","","","1.015","","","","has coordinates","292777","2024-07-05","13:15:18",""
"7132977","6.7066","0.0007","8.7863","0.0009","12.6844","0.0013","100.298","0.002","96.3058","0.0019","111.389","0.0018","672.14","0.12","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C32 H26 N2 O6 -","2","1","","Akbari, Alireza; Khosravi, Hormoz; Bauer, Felix; Rominger, Frank; Breit, Bernhard; Balalaie, Saeed","Metal- and solvent-free domino reaction of 2-isocyanophenol esters to benzoxazines: long-range 1,5-acyl migration on 1,4-diazabutatriene.","Chemical communications (Cambridge, England)","2024","60","41","5451","5454","10.1039/d4cc01214c","","","0.71073","MoKα","","0.086","0.0493","","","0.1127","0.1299","","","","","","1.045","","","","has coordinates","292777","2024-07-05","13:15:19",""
"7132978","28.7435","0.0006","28.3372","0.0006","48.7703","0.0015","90","","90","","90","","39723.9","1.7","179.99","0.1","179.99","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C97 H203 Ag45 Nb6 O47 S23 -","- C97 H203 Ag45 Nb6 O47 S23 -","- C776 H1624 Ag360 Nb48 O376 S184 -","8","1","","Zhao, Zichen; Zhao, Mengyun; Deng, Lan; Li, Qing; Zhang, Jing; Su, Haifeng; Lv, Hongjin; Yang, Guo-Yu","Two structurally new Lindqvist hexaniobate-templated silver thiolate clusters.","Chemical communications (Cambridge, England)","2024","60","41","5415","5418","10.1039/d4cc00681j","","x-ray","0.71073","MoKα","","0.129","0.0761","","","0.1835","0.2071","","","","","","1.033","","","","has coordinates,has disorder","292776","2024-07-05","13:15:04",""
"7132979","32.1512","0.0005","32.1512","0.0005","17.6732","0.0003","90","","90","","90","","18268.8","0.5","179.99","0.1","179.99","0.1","","","","","","","","7","P 42 21 2","P 4n 2n","94","","","","- C82 H210 Ag41 K Nb6 O42.5 S26.5 -","- C82 H183 Ag41 K Nb6 O31 S26.5 -","- C328 H732 Ag164 K4 Nb24 O124 S106 -","4","0.5","","Zhao, Zichen; Zhao, Mengyun; Deng, Lan; Li, Qing; Zhang, Jing; Su, Haifeng; Lv, Hongjin; Yang, Guo-Yu","Two structurally new Lindqvist hexaniobate-templated silver thiolate clusters.","Chemical communications (Cambridge, England)","2024","60","41","5415","5418","10.1039/d4cc00681j","","x-ray","0.71073","MoKα","","0.1399","0.08","","","0.2074","0.2356","","","","","","1.074","","","","has coordinates,has disorder","292776","2024-07-05","13:15:06",""
"7132980","12.4248","0.0014","12.9746","0.0016","16.828","0.002","86.253","0.005","75.221","0.004","64.491","0.004","2364.3","0.5","297","2","297","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C32 H72 Cu2 I4 P2 -","- C32 H72 Cu2 I4 P2 -","- C64 H144 Cu4 I8 P4 -","2","1","","Delafoulhouze, Jérémy; Cordier, Marie; Mevellec, Jean-Yves; Massuyeau, Florian; Hernandez, Olivier; Latouche, Camille; Perruchas, Sandrine","Mechanoresponsive luminescence triggered by phase transition of a supercooled copper(I) complex.","Chemical communications (Cambridge, England)","2024","60","40","5278","5281","10.1039/d4cc00815d","","x-ray","0.71073","MoKα","","0.0807","0.0561","","","0.1429","0.1673","","","","","","1.035","","","","has coordinates,has disorder","292822","2024-07-05","13:33:07",""
"7132981","15.1203","0.0004","15.1203","0.0004","11.9863","0.0003","90","","90","","90","","2740.35","0.12","10","","10","","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","MFM-300Ti-desolvated","- C8 H3 O5 Ti -","- C8 H3 O5 Ti -","- C64 H24 O40 Ti8 -","8","0.5","","Zeng, Xiangdi; Li, Jiangnan; He, Meng; Lu, Wanpeng; Crawshaw, Danielle; Guo, Lixia; Ma, Yujie; Kippax-Jones, Meredydd; Cheng, Yongqiang; Manuel, Pascal; Rudić, Svemir; Frogley, Mark D.; Schröder, Martin; Yang, Sihai","High adsorption of ammonia in a titanium-based metal-organic framework.","Chemical communications (Cambridge, England)","2024","60","46","5912","5915","10.1039/d4cc01449a","powder diffraction","neutron","","neutron","","0.36239","","","","","","","","3.581","","","","","","","has coordinates","292802","2024-07-05","13:25:06",""
"7132982","15.0507","0.0008","15.0507","0.0008","12.0595","0.0006","90","","90","","90","","2731.8","0.2","10","","10","","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","MFM-300Ti-0.42ND3","- C8 H3 D1.25 N0.42 O5 Ti -","- C8 H3 D1.2516 N0.4172 O5 Ti -","- C64 H24 D10.0128 N3.3376 O40 Ti8 -","8","0.5","","Zeng, Xiangdi; Li, Jiangnan; He, Meng; Lu, Wanpeng; Crawshaw, Danielle; Guo, Lixia; Ma, Yujie; Kippax-Jones, Meredydd; Cheng, Yongqiang; Manuel, Pascal; Rudić, Svemir; Frogley, Mark D.; Schröder, Martin; Yang, Sihai","High adsorption of ammonia in a titanium-based metal-organic framework.","Chemical communications (Cambridge, England)","2024","60","46","5912","5915","10.1039/d4cc01449a","powder diffraction","neutron","","neutron","","0.49151","","","","","","","","3.312","","","","","","","has coordinates","292802","2024-07-05","13:25:07",""
"7132983","14.92","0.0004","14.92","0.0004","12.1536","0.0003","90","","90","","90","","2705.47","0.12","10","","10","","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","MFM-300Ti-1.27ND3","- C8 H3 D3.82 N1.27 O5 Ti -","- C8 H3 D3.816 N1.272 O5 Ti -","- C64 H24 D30.528 N10.176 O40 Ti8 -","8","0.5","","Zeng, Xiangdi; Li, Jiangnan; He, Meng; Lu, Wanpeng; Crawshaw, Danielle; Guo, Lixia; Ma, Yujie; Kippax-Jones, Meredydd; Cheng, Yongqiang; Manuel, Pascal; Rudić, Svemir; Frogley, Mark D.; Schröder, Martin; Yang, Sihai","High adsorption of ammonia in a titanium-based metal-organic framework.","Chemical communications (Cambridge, England)","2024","60","46","5912","5915","10.1039/d4cc01449a","powder diffraction","neutron","","neutron","","0.86843","","","","","","","","2.808","","","","","","","has coordinates","292802","2024-07-05","13:25:07",""
"7132984","16.46","0.0006","11.3441","0.0005","19.5207","0.0006","90","","94.325","0.003","90","","3634.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tb-TCPE","","- C36 H32 N2 O11 Pb2 -","- C36 H32 N2 O11 Pb2 -","- C144 H128 N8 O44 Pb8 -","4","1","","Luo, Qi; Li, Yuxia; Huang, Xin; Zheng, Yi; Gu, Qi; Wang, Shuaihua; Wu, Shaofan","Tetraphenylene-based semiconductive metal-organic framework crystals for direct X-ray detection and imaging.","Chemical communications (Cambridge, England)","2024","60","42","5510","5513","10.1039/d4cc01188k","","","0.71073","MoKα","","0.051","0.0446","","","0.1247","0.13","","","","","","1.052","","","","has coordinates,has disorder","292793","2024-07-05","13:21:24",""
"7132985","16.1234","0.001","11.9822","0.0007","8.9939","0.0006","90","","94.945","0.002","90","","1731.1","0.19","300","2","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Cl2 N O3 -","- C19 H15 Cl2 N O3 -","- C76 H60 Cl8 N4 O12 -","4","1","","Harsha, ?; Kumar, Rohit; Jain, Nidhi","<sup>1</sup>O<sub>2</sub> mediated synthesis of carbonyl substituted quinoline-2,4(1<i>H</i>,3<i>H</i>)-diones in visible light: 4CzIPN as a reusable photocatalyst.","Chemical communications (Cambridge, England)","2024","60","43","5646","5649","10.1039/d4cc00887a","","","0.71073","MoKα","","0.0491","0.039","","","0.1021","0.1091","","","","","","1.07","","","","has coordinates","292787","2024-07-05","13:19:50",""
"7132986","16.4651","0.0005","23.3184","0.0007","17.2067","0.0005","90","","97.467","0.001","90","","6550.3","0.3","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C148 H188 F12 Fe2 N18 O28 S4 -","- C104 H78 F12 Fe2 N18 O17 S4 -","- C208 H156 F24 Fe4 N36 O34 S8 -","2","0.5","","Mobili, Riccardo; Preda, Giovanni; Dondi, Daniele; Monzani, Enrico; Vadivel, Dhanalakshmi; Massera, Chiara; Pasini, Dario; Amendola, Valeria","Triptycene-based diiron(II) mesocates: spin-crossover in solution.","Chemical communications (Cambridge, England)","2024","60","42","5522","5525","10.1039/d4cc00812j","","","1.54178","CuKα","","0.0577","0.0538","","","0.1651","0.1707","","","","","","1.005","","","","has coordinates,has disorder","292792","2024-07-05","13:21:11",""
"7132987","21.5297","0.0003","24.7451","0.0004","29.6954","0.0005","109.868","0.001","104.145","0.001","101.331","0.001","13733.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C246 H340 F12 N34 O33 P2 -","- C246 H340 F12 N34 O33 P2 -","- C492 H680 F24 N68 O66 P4 -","2","1","","Huang, Song; Wang, Zhenwen; Wu, Jinyang; Mai, Xinyan; Qin, Song; Zhou, Yuqiao; Yuan, Daqiang; Li, Xiaowei; Feng, Wen; Yuan, Lihua","A molecular sheaf: doubly threaded [6]rotaxane.","Chemical communications (Cambridge, England)","2024","60","43","5622","5625","10.1039/d4cc00178h","","","1.54184","CuKα","","0.3304","0.2457","","","0.5642","0.6276","","","","","","2.226","","","","has coordinates","292790","2024-07-05","13:20:39",""
"7132988","15.3073","0.0003","15.711","0.0002","22.0225","0.0004","90","","99.885","0.002","90","","5217.63","0.16","179.99","0.1","179.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H24 Au B3 F12 N8 -","- C12 H18 Au B3 F12 N6 -","- C96 H144 Au8 B24 F96 N48 -","8","1","","Barwise, Lachlan; Moon, Lachlan J.; Dhakal, Bibidh; Hogan, Conor F.; White, Keith F.; Dutton, Jason L.","An extremely electron poor Au(III) trication bearing acetonitrile ligands.","Chemical communications (Cambridge, England)","2024","60","43","5586","5589","10.1039/d4cc00818a","","","1.54184","CuKα","","0.0351","0.0337","","","0.0847","0.0856","","","","","","1.067","","","","has coordinates,has disorder","292789","2024-07-05","13:20:13",""
"7132989","9.4083","0.0001","19.422","0.0002","15.7483","0.0002","90","","103.473","0.001","90","","2798.46","0.06","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H29 Au B2 F8 N6 -","- C21 H29 Au B2 F8 N6 -","- C84 H116 Au4 B8 F32 N24 -","4","2","","Barwise, Lachlan; Moon, Lachlan J.; Dhakal, Bibidh; Hogan, Conor F.; White, Keith F.; Dutton, Jason L.","An extremely electron poor Au(III) trication bearing acetonitrile ligands.","Chemical communications (Cambridge, England)","2024","60","43","5586","5589","10.1039/d4cc00818a","","x-ray","1.54184","CuKα","","0.0388","0.0374","","","0.0979","0.0988","","","","","","1.042","","","","has coordinates","292789","2024-07-05","13:20:15",""
"7132990","22.4005","0.0012","26.9673","0.0007","32.2242","0.0012","90","","90.916","0.004","90","","19463.5","1.4","100.02","0.11","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C198 H251 N6 O46 -","- C126 H113 N6 O10 -","- C504 H452 N24 O40 -","4","1","","Shields, C. E.; Fellowes, T.; Slater, A. G.; Cooper, A. I.; Andrews, K. G.; Szczypiński, F T","Exploration of the polymorphic solid-state landscape of an amide-linked organic cage using computation and automation.","Chemical communications (Cambridge, England)","2024","60","47","6023","6026","10.1039/d4cc01407c","","","0.71073","MoKα","","0.1475","0.1175","","","0.3649","0.39","","","","","","1.474","","","","has coordinates","292813","2024-07-05","13:30:21",""
"7132991","21.1953","0.001","26.1285","0.0012","31.3285","0.0014","73.564","0.004","72.242","0.004","68.045","0.004","15042","1.3","100.01","0.1","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C152.46 H189.38 N6 O23.23 S13.23 -","- C134.461 H135.383 N6 O14.231 S4.2305 -","- C537.844 H541.532 N24 O56.924 S16.922 -","4","2","","Shields, C. E.; Fellowes, T.; Slater, A. G.; Cooper, A. I.; Andrews, K. G.; Szczypiński, F T","Exploration of the polymorphic solid-state landscape of an amide-linked organic cage using computation and automation.","Chemical communications (Cambridge, England)","2024","60","47","6023","6026","10.1039/d4cc01407c","","","0.71073","synchrotron","","0.2007","0.1777","","","0.4696","0.4857","","","","","","1.985","","","","has coordinates,has disorder","292813","2024-07-05","13:30:22",""
"7132992","39.4383","0.0004","27.5839","0.0002","35.2015","0.0004","90","","109.998","0.0009","90","","35985.4","0.6","100.15","","100.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C190 H208 N6 O58 -","- C158 H160 N6 O34 -","- C1264 H1280 N48 O272 -","8","1","","Shields, C. E.; Fellowes, T.; Slater, A. G.; Cooper, A. I.; Andrews, K. G.; Szczypiński, F T","Exploration of the polymorphic solid-state landscape of an amide-linked organic cage using computation and automation.","Chemical communications (Cambridge, England)","2024","60","47","6023","6026","10.1039/d4cc01407c","","","0.6889","synchrotron","","0.1886","0.1539","","","0.4287","0.4705","","","","","","1.085","","","","has coordinates","292813","2024-07-05","13:30:22",""
"7132993","19.9064","0.0002","19.9064","0.0002","33.451","0.0005","90","","90","","120","","11479.6","0.2","100.15","","100.15","","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C174 H256 N6 O34 S24 -","- C126 H112 N6 O10.0002 -","- C252 H224 N12 O20.0004 -","2","0.166667","","Shields, C. E.; Fellowes, T.; Slater, A. G.; Cooper, A. I.; Andrews, K. G.; Szczypiński, F T","Exploration of the polymorphic solid-state landscape of an amide-linked organic cage using computation and automation.","Chemical communications (Cambridge, England)","2024","60","47","6023","6026","10.1039/d4cc01407c","","","0.6889","synchrotron","","0.1987","0.1451","","","0.3485","0.3888","","","","","","1.203","","","","has coordinates,has disorder","292813","2024-07-05","13:30:22",""
"7132994","21.6989","0.0003","27.1612","0.0003","27.6258","0.0003","94.1928","0.001","111.564","0.0011","109.903","0.0011","13867","0.3","100.1","","100.1","","","","","","","","","5","P -1","-P 1","2","","","","- C138 H148 N6 O16 S6 -","- C126 H112 N6 O10.0015 -","- C504 H447.999 N24 O40.006 -","4","2","","Shields, C. E.; Fellowes, T.; Slater, A. G.; Cooper, A. I.; Andrews, K. G.; Szczypiński, F T","Exploration of the polymorphic solid-state landscape of an amide-linked organic cage using computation and automation.","Chemical communications (Cambridge, England)","2024","60","47","6023","6026","10.1039/d4cc01407c","","","0.6889","synchrotron","","0.1161","0.0867","","","0.2694","0.2936","","","","","","1.079","","","","has coordinates,has disorder","292813","2024-07-05","13:30:22",""
"7132995","21.4803","0.001","27.0745","0.0012","29.3858","0.0017","94.133","0.004","108.263","0.004","112.968","0.004","14568.6","1.5","100.15","","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C342 H393 N12 O80.01 -","- C252 H213 N12 O20.01 -","- C504 H426 N24 O40.02 -","2","1","","Shields, C. E.; Fellowes, T.; Slater, A. G.; Cooper, A. I.; Andrews, K. G.; Szczypiński, F T","Exploration of the polymorphic solid-state landscape of an amide-linked organic cage using computation and automation.","Chemical communications (Cambridge, England)","2024","60","47","6023","6026","10.1039/d4cc01407c","","","0.6889","","","0.1763","0.1324","","","0.3782","0.4083","","","","","","1.406","","","","has coordinates,has disorder","292813","2024-07-05","13:30:22",""
"7132996","21.6013","0.0002","27.1502","0.0002","28.3933","0.0003","93.864","0.001","111.256","0.001","110.441","0.001","14178.7","0.3","100.15","","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C154.5 H176.5 N15.5 O19.5 -","- C126 H110 N6 O10 -","- C504 H440 N24 O40 -","4","2","","Shields, C. E.; Fellowes, T.; Slater, A. G.; Cooper, A. I.; Andrews, K. G.; Szczypiński, F T","Exploration of the polymorphic solid-state landscape of an amide-linked organic cage using computation and automation.","Chemical communications (Cambridge, England)","2024","60","47","6023","6026","10.1039/d4cc01407c","","","0.6889","synchrotron","","0.1281","0.106","","","0.3365","0.361","","","","","","1.404","","","","has coordinates,has disorder","292813","2024-07-05","13:30:22",""
"7132997","51.7627","0.0006","21.7575","0.0002","57.0058","0.0007","90","","90.443","0.001","90","","64199.5","1.2","100.15","","100.15","","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C132 H130 N6 O13 S3 -","- C131.994 H129.994 N6 O13 S3 -","- C2111.9 H2079.9 N96 O208 S48 -","16","4","","Shields, C. E.; Fellowes, T.; Slater, A. G.; Cooper, A. I.; Andrews, K. G.; Szczypiński, F T","Exploration of the polymorphic solid-state landscape of an amide-linked organic cage using computation and automation.","Chemical communications (Cambridge, England)","2024","60","47","6023","6026","10.1039/d4cc01407c","","","0.6889","synchrotron","","0.097","0.0661","","","0.1894","0.2115","","","","","","0.947","","","","has coordinates,has disorder","292813","2024-07-05","13:30:22",""
"7132998","14.4065","0.0002","6.1767","0.0001","17.7705","0.0003","90","","109.917","0.002","90","","1486.72","0.04","99.99","0.11","99.99","0.11","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 F5 N3 -","- C17 H10 F5 N3 -","- C68 H40 F20 N12 -","4","1","","Das, Animesh; Maji, Biplab","Substrate-controlled divergent remote C-H and N-H polyfluoroarylation of 2-aminopyrimidines with polyfluoroarenes <i>via</i> Pd(II)/Pd(0) catalysis.","Chemical communications (Cambridge, England)","2024","60","43","5630","5633","10.1039/d4cc01518e","","x-ray","1.54184","CuKα","","0.0355","0.033","","","0.0888","0.0912","","","","","","1.045","","","","has coordinates","292786","2024-07-05","13:19:40",""
"7132999","12.4951","0.0003","7.6806","0.0002","16.1712","0.0005","90","","108.511","0.003","90","","1471.65","0.07","100.4","0.9","100.4","0.9","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 F5 N3 -","- C15 H14 F5 N3 -","- C60 H56 F20 N12 -","4","1","","Das, Animesh; Maji, Biplab","Substrate-controlled divergent remote C-H and N-H polyfluoroarylation of 2-aminopyrimidines with polyfluoroarenes <i>via</i> Pd(II)/Pd(0) catalysis.","Chemical communications (Cambridge, England)","2024","60","43","5630","5633","10.1039/d4cc01518e","","x-ray","1.54184","CuKα","","0.0504","0.0446","","","0.126","0.1326","","","","","","1.054","","","","has coordinates","292786","2024-07-05","13:19:40",""
"7133000","19.2449","0.0008","9.5303","0.0004","15.6081","0.0011","90","","127.522","0.001","90","","2270.4","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 Cl4 N4 Np -","- C20 H20 Cl4 N4 Np -","- C80 H80 Cl16 N16 Np4 -","4","0.5","","Lopez, Lauren M.; Uible, Madeleine C.; Zeller, Matthias; Bart, Suzanne C.","Lewis base adducts of NpCl<sub>4</sub>.","Chemical communications (Cambridge, England)","2024","60","46","5956","5959","10.1039/d4cc01560f","","","0.71073","MoKα","","0.017","0.0162","","","0.0399","0.0403","","","","","","1.18","","","","has coordinates","292803","2024-07-05","13:25:26",""
"7133001","14.6308","0.0005","8.4327","0.0003","13.7095","0.0005","90","","91.687","0.001","90","","1690.71","0.1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Cl4 N4 Np -","- C8 H12 Cl4 N4 Np -","- C32 H48 Cl16 N16 Np4 -","4","0.5","","Lopez, Lauren M.; Uible, Madeleine C.; Zeller, Matthias; Bart, Suzanne C.","Lewis base adducts of NpCl<sub>4</sub>.","Chemical communications (Cambridge, England)","2024","60","46","5956","5959","10.1039/d4cc01560f","","","0.71073","MoKα","","0.0161","0.0157","","","0.0375","0.0376","","","","","","1.261","","","","has coordinates","292803","2024-07-05","13:25:27",""
"7133002","9.9552","0.0005","15.3552","0.0008","11.9194","0.0006","90","","98.955","0.002","90","","1799.84","0.16","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H30 Cl4 Np O2 P2 -","- C36 H30 Cl4 Np O2 P2 -","- C72 H60 Cl8 Np2 O4 P4 -","2","1","","Lopez, Lauren M.; Uible, Madeleine C.; Zeller, Matthias; Bart, Suzanne C.","Lewis base adducts of NpCl<sub>4</sub>.","Chemical communications (Cambridge, England)","2024","60","46","5956","5959","10.1039/d4cc01560f","","","1.54178","CuKα","","0.0214","0.0207","","","0.0517","0.0519","","","","","","1.067","","","","has coordinates","292803","2024-07-05","13:25:27",""
"7133003","16.6555","0.0006","11.535","0.0004","25.751","0.0009","90","","94.5345","0.0014","90","","4931.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45.76 H67.53 Cl4 N4 Np O2.44 -","- C45.764 H67.528 Cl4 N4 Np O2.441 -","- C183.056 H270.112 Cl16 N16 Np4 O9.764 -","4","1","","Lopez, Lauren M.; Uible, Madeleine C.; Zeller, Matthias; Bart, Suzanne C.","Lewis base adducts of NpCl<sub>4</sub>.","Chemical communications (Cambridge, England)","2024","60","46","5956","5959","10.1039/d4cc01560f","","","0.71073","MoKα","","0.0501","0.0358","","","0.0869","0.0937","","","","","","1.057","","","","has coordinates,has disorder","292803","2024-07-05","13:25:27",""
"7133004","33.38","0.012","5.972","0.003","18.656","0.007","90","","119.978","0.011","90","","3221","2","298","","298","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 O3 -","- C18 H20 O3 -","- C144 H160 O24 -","8","1","","Kumar, Rakesh; Dutt, Shiv; Banerjee, Prabal","Electrochemical oxidative C-C bond cleavage of methylenecyclopropanes with alcohols.","Chemical communications (Cambridge, England)","2024","60","31","4246","4249","10.1039/d4cc00843j","","x-ray","0.71073","MoKα","","0.0978","0.079","","","0.2235","0.2399","","","","","","1.041","","","","has coordinates","291485","2024-05-03","23:03:48",""
"7133005","10.0123","0.0006","18.3467","0.0008","10.107","0.0004","90","","90","","90","","1856.58","0.16","295","0.1","295","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H22 N2 O -","- C23 H22 N2 O -","- C92 H88 N8 O4 -","4","1","","Kumar, Dharmendra; Unnikrishnan, Urmila; Kuram, Malleswara Rao","Facile access to <i>C</i>-substituted piperazin-2-ones and mianserin derivative enabled by chemoselective carbene insertion and cyclization cascade.","Chemical communications (Cambridge, England)","2024","60","44","5691","5694","10.1039/d4cc00959b","","x-ray","1.54184","CuKα","","0.0402","0.0359","","","0.0923","0.0956","","","","","","1.05","","","","has coordinates","292768","2024-07-05","13:13:01",""
"7133006","9.52","0.002","8.588","0.002","18.645","0.005","90","","99.465","0.004","90","","1503.6","0.6","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","TEAVSTzw","","","- C9 H19 F3 N2 O4 S2 -","- C9 H19 F3 N2 O4 S2 -","- C36 H76 F12 N8 O16 S8 -","4","1","","Nakazono, Yosuke; Inoue, Ryota; Sumitani, Ryo; Mochida, Tomoyuki","Solvent-free transformation of protic ionic liquids into zwitterions.","Chemical communications (Cambridge, England)","2024","60","44","5711","5714","10.1039/d4cc01345j","","","0.71073","MoKα","","0.1521","0.0443","","","0.0435","0.0558","","","","","","0.686","","","","has coordinates","292769","2024-07-05","13:13:12",""
"7133007","8.664","0.003","9.443","0.003","17.044","0.006","90","","95.637","0.004","90","","1387.7","0.8","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Pvr02zw","","","- C9 H17 F3 N2 O4 S2 -","- C9 H17 F3 N2 O4 S2 -","- C36 H68 F12 N8 O16 S8 -","4","1","","Nakazono, Yosuke; Inoue, Ryota; Sumitani, Ryo; Mochida, Tomoyuki","Solvent-free transformation of protic ionic liquids into zwitterions.","Chemical communications (Cambridge, England)","2024","60","44","5711","5714","10.1039/d4cc01345j","","","0.71073","MoKα","","0.0854","0.0494","","","0.0987","0.1119","","","","","","1.037","","","","has coordinates","292769","2024-07-05","13:13:12",""
"7133008","9.869","0.006","17.149","0.011","18.682","0.012","93.615","0.007","92.206","0.008","94.036","0.007","3145","3","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H16 F3 N3 O4 S2 -","- C10 H16 F3 N3 O4 S2 -","- C80 H128 F24 N24 O32 S16 -","8","4","","Nakazono, Yosuke; Inoue, Ryota; Sumitani, Ryo; Mochida, Tomoyuki","Solvent-free transformation of protic ionic liquids into zwitterions.","Chemical communications (Cambridge, England)","2024","60","44","5711","5714","10.1039/d4cc01345j","","","0.71073","MoKα","","0.0717","0.0509","","","0.1239","0.1377","","","","","","1.028","","","","has coordinates","292769","2024-07-05","13:13:12",""
"7133009","16.1779","0.0003","7.77835","0.00017","27.1947","0.0007","90","","90","","90","","3422.11","0.13","169.99","0.1","169.99","0.1","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- C45 H36 O9 -","- C45 H36 O9 -","- C180 H144 O36 -","4","0.5","","Han, Ying; Guo, Wei-Chen; Du, Xu-Sheng; Chen, Chuan-Feng","Synthesis and properties of an <i>O</i>-doped aromatic belt.","Chemical communications (Cambridge, England)","2024","60","44","5719","5722","10.1039/d4cc01667j","","x-ray","1.54184","CuKα","","0.0526","0.0471","","","0.1158","0.1194","","","","","","1.072","","","","has coordinates","292773","2024-07-05","13:14:04",""
"7133010","11.4275","0.0004","15.9886","0.0006","16.0325","0.0004","90","","97.391","0.003","90","","2904.96","0.17","169.99","0.1","169.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C39 H18 O3 -","- C39 H18 O3 -","- C156 H72 O12 -","4","1","","Han, Ying; Guo, Wei-Chen; Du, Xu-Sheng; Chen, Chuan-Feng","Synthesis and properties of an <i>O</i>-doped aromatic belt.","Chemical communications (Cambridge, England)","2024","60","44","5719","5722","10.1039/d4cc01667j","","x-ray","1.54184","CuKα","","0.2194","0.1966","","","0.4689","0.482","","","","","","3.461","","","","has coordinates","292773","2024-07-05","13:14:04",""
"7133011","12.7061","0.0005","14.0855","0.0004","23.6488","0.001","90","","90","","90","","4232.5","0.3","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C58 H41 N3 -","- C58 H41 N3 -","- C232 H164 N12 -","4","1","","Sharma, Priyank Kumar; Jana, Palash; Bandyopadhyay, Subhajit; Das, Soumyajit","Cyano disubstituted tetrabenzoindeno[2,1-<i>a</i>]fluorene: open-shell or closed-shell?","Chemical communications (Cambridge, England)","2024","60","57","7319","7322","10.1039/d4cc00683f","","x-ray","0.71073","MoKα","","0.0447","0.0384","","","0.0921","0.0961","","","","","","1.041","","","","has coordinates","293696","2024-08-05","17:27:42",""
"7133012","12.838","0.0006","15.169","0.0005","15.0877","0.0005","90","","102.909","0.004","90","","2863.91","0.19","110","0.14","110","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H42 N4 O5 Si -","- C26.997 H41.993 N4 O5 Si -","- C107.988 H167.972 N16 O20 Si4 -","4","1","","Jeanmard, Laksamee; Lodovici, Giacomo; George, Ian; Bray, Joshua T. W.; Whitwood, Adrian C.; Thomas, Gavin H.; Fairlamb, Ian J. S.; Unsworth, William P.; Clarke, Paul A.","Stereoselective synthesis of an advanced <i>trans</i>-decalin intermediate towards the total synthesis of anthracimycin.","Chemical communications (Cambridge, England)","2024","60","44","5699","5702","10.1039/d4cc01738b","","","1.54184","CuKα","","0.0606","0.0472","","","0.11","0.1172","","","","","","1.087","","","","has coordinates,has disorder","292772","2024-07-05","13:13:51",""
"7133013","7.18006","0.00014","12.9367","0.0002","17.2317","0.0003","90","","90","","90","","1600.59","0.05","109.95","0.1","109.95","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O5 -","- C17 H22 O5 -","- C68 H88 O20 -","4","1","","Jeanmard, Laksamee; Lodovici, Giacomo; George, Ian; Bray, Joshua T. W.; Whitwood, Adrian C.; Thomas, Gavin H.; Fairlamb, Ian J. S.; Unsworth, William P.; Clarke, Paul A.","Stereoselective synthesis of an advanced <i>trans</i>-decalin intermediate towards the total synthesis of anthracimycin.","Chemical communications (Cambridge, England)","2024","60","44","5699","5702","10.1039/d4cc01738b","","x-ray","1.54184","CuKα","","0.0295","0.0267","","","0.0629","0.0646","","","","","","1.069","","","","has coordinates","292772","2024-07-05","13:13:53",""
"7133014","10.3314","0.0013","12.155","0.0015","20.115","0.003","85.509","0.005","76.039","0.005","68.417","0.005","2279.4","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C94 H150 Mg N4 Ni2 O8 -","- C94 H150 Mg N4 Ni2 O8 -","- C94 H150 Mg N4 Ni2 O8 -","1","0.5","","Wolff, Siad; Ponsonby, Annabelle; Dallmann, André; Herwig, Christian; Beckmann, Fabian; Cula, Beatrice; Limberg, Christian","Appropriation of group II metals: synthesis and characterisation of the first alkaline earth metal supported transition metal carbonite complexes.","Chemical communications (Cambridge, England)","2024","60","45","5816","5819","10.1039/d4cc01682c","","","0.71073","MoKα","","0.0582","0.0544","","","0.1447","0.1473","","","","","","1.085","","","","has coordinates","292826","2024-07-05","13:34:59",""
"7133015","11.7869","0.0011","13.1585","0.0012","21.6061","0.0018","95.572","0.003","101.159","0.003","101.843","0.003","3184.9","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H100 Mg N4 Ni O4 -","- C67 H100 Mg N4 Ni O4 -","- C134 H200 Mg2 N8 Ni2 O8 -","2","1","","Wolff, Siad; Ponsonby, Annabelle; Dallmann, André; Herwig, Christian; Beckmann, Fabian; Cula, Beatrice; Limberg, Christian","Appropriation of group II metals: synthesis and characterisation of the first alkaline earth metal supported transition metal carbonite complexes.","Chemical communications (Cambridge, England)","2024","60","45","5816","5819","10.1039/d4cc01682c","","","0.71073","MoKα","","0.0708","0.056","","","0.1294","0.1366","","","","","","1.072","","","","has coordinates,has disorder","292826","2024-07-05","13:35:00",""
"7133016","13.1189","0.0016","18.636","0.003","19.149","0.002","81.507","0.005","86.676","0.005","74.077","0.005","4451.9","1","104","2","104","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H133 Ca N5 Ni2 O12 -","- C86 H133 Ca N5 Ni2 O12 -","- C172 H266 Ca2 N10 Ni4 O24 -","2","1","","Wolff, Siad; Ponsonby, Annabelle; Dallmann, André; Herwig, Christian; Beckmann, Fabian; Cula, Beatrice; Limberg, Christian","Appropriation of group II metals: synthesis and characterisation of the first alkaline earth metal supported transition metal carbonite complexes.","Chemical communications (Cambridge, England)","2024","60","45","5816","5819","10.1039/d4cc01682c","","","0.71073","MoKα","","0.0605","0.0398","","","0.0856","0.0963","","","","","","1.033","","","","has coordinates","292826","2024-07-05","13:35:00",""
"7133017","28.041","0.004","14.697","0.002","24.348","0.004","90","","104.01","0.005","90","","9736","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96 H158 Mg N4 Ni2 O8 -","- C96 H158 Mg N4 Ni2 O8 -","- C384 H632 Mg4 N16 Ni8 O32 -","4","1","","Wolff, Siad; Ponsonby, Annabelle; Dallmann, André; Herwig, Christian; Beckmann, Fabian; Cula, Beatrice; Limberg, Christian","Appropriation of group II metals: synthesis and characterisation of the first alkaline earth metal supported transition metal carbonite complexes.","Chemical communications (Cambridge, England)","2024","60","45","5816","5819","10.1039/d4cc01682c","","","0.71073","MoKα","","0.0635","0.0569","","","0.1366","0.1414","","","","","","1.081","","","","has coordinates,has disorder","292826","2024-07-05","13:35:00",""
"7133018","16.7438","0.001","14.268","0.001","20.0197","0.0014","90","","97.276","0.002","90","","4744.2","0.5","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C92 H150 Ca N4 Ni2 O12 -","- C92 H150 Ca N4 Ni2 O12 -","- C184 H300 Ca2 N8 Ni4 O24 -","2","1","","Wolff, Siad; Ponsonby, Annabelle; Dallmann, André; Herwig, Christian; Beckmann, Fabian; Cula, Beatrice; Limberg, Christian","Appropriation of group II metals: synthesis and characterisation of the first alkaline earth metal supported transition metal carbonite complexes.","Chemical communications (Cambridge, England)","2024","60","45","5816","5819","10.1039/d4cc01682c","","","0.71073","MoKα","","0.0432","0.0374","","","0.0932","0.0985","","","","","","1.031","","","","has coordinates,has disorder","292826","2024-07-05","13:35:00",""
"7133019","7.8569","0.0006","16.8285","0.0013","11.212","0.0008","90","","104.254","0.007","90","","1436.81","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cl N O -","- C18 H14 Cl N O -","- C72 H56 Cl4 N4 O4 -","4","1","","Sachin, ?; Sharma, Tamanna; Chandra, Devesh; Sumit, ?; Sharma, Upendra","Inherent directing group-enabled Co(III)-catalyzed C-H allylation/vinylation of isoquinolones.","Chemical communications (Cambridge, England)","2024","60","43","5626","5629","10.1039/d4cc01146e","","x-ray","1.54184","CuKα","","0.0614","0.051","","","0.1395","0.154","","","","","","1.026","","","","has coordinates","292788","2024-07-05","13:19:58",""
"7133020","19.7908","0.0005","15.1911","0.0004","23.1446","0.0008","90","","107.604","0.003","90","","6632.4","0.4","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H47 Cl3 N6 O10 P2 Ru2 -","- C62 H47 Cl3 N6 O10 P2 Ru2 -","- C248 H188 Cl12 N24 O40 P8 Ru8 -","4","1","","Arya, Yogita; Ansari, Toufik; Bera, Sudip Kumar; Panda, Sanjib; Indra, Arindam; Lahiri, Goutam Kumar","Superior electrocatalytic hydrogen evolution activity of a triply bridged diruthenium(II) complex on a carbon cloth support.","Chemical communications (Cambridge, England)","2024","60","47","6011","6014","10.1039/d4cc01173b","","x-ray","0.71073","MoKα","","0.1132","0.0583","","","0.1281","0.1515","","","","","","1.028","","","","has coordinates,has disorder","292812","2024-07-05","13:28:09",""
"7133021","11.9288","0.0005","6.8445","0.0003","27.4989","0.0011","90","","90.376","0.004","90","","2245.15","0.16","109.5","0.7","109.5","0.7","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C24 H12 Br4 N6 -","- C24 H12 Br4 N6 -","- C96 H48 Br16 N24 -","4","0.5","","Arya, Yogita; Ansari, Toufik; Bera, Sudip Kumar; Panda, Sanjib; Indra, Arindam; Lahiri, Goutam Kumar","Superior electrocatalytic hydrogen evolution activity of a triply bridged diruthenium(II) complex on a carbon cloth support.","Chemical communications (Cambridge, England)","2024","60","47","6011","6014","10.1039/d4cc01173b","","x-ray","0.71073","MoKα","","0.1031","0.0637","","","0.1541","0.1786","","","","","","1.011","","","","has coordinates","292812","2024-07-05","13:28:09",""
"7133022","18.3915","0.0002","14.4654","0.0002","20.9301","0.0003","90","","100.804","0.001","90","","5469.55","0.13","111.5","0.7","111.5","0.7","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C56 H41 Br3 Cl4 N4 O6 P2 Ru -","- C56 H41 Br3 Cl4 N4 O6 P2 Ru -","- C224 H164 Br12 Cl16 N16 O24 P8 Ru4 -","4","1","","Arya, Yogita; Ansari, Toufik; Bera, Sudip Kumar; Panda, Sanjib; Indra, Arindam; Lahiri, Goutam Kumar","Superior electrocatalytic hydrogen evolution activity of a triply bridged diruthenium(II) complex on a carbon cloth support.","Chemical communications (Cambridge, England)","2024","60","47","6011","6014","10.1039/d4cc01173b","","x-ray","0.71073","MoKα","","0.0392","0.0329","","","0.0825","0.0861","","","","","","1.018","","","","has coordinates","292812","2024-07-05","13:28:09",""
"7133023","15.601","0.0002","21.105","0.0003","22.1703","0.0003","110.152","0.001","101.134","0.001","99.661","0.001","6502.66","0.17","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C58 H49 Cl N4 O6 P2 Ru -","- C58 H49 Cl N4 O6 P2 Ru -","- C232 H196 Cl4 N16 O24 P8 Ru4 -","4","2","","Arya, Yogita; Ansari, Toufik; Bera, Sudip Kumar; Panda, Sanjib; Indra, Arindam; Lahiri, Goutam Kumar","Superior electrocatalytic hydrogen evolution activity of a triply bridged diruthenium(II) complex on a carbon cloth support.","Chemical communications (Cambridge, England)","2024","60","47","6011","6014","10.1039/d4cc01173b","","x-ray","0.71073","MoKα","","0.0772","0.0545","","","0.1438","0.1615","","","","","","1.033","","","","has coordinates","292812","2024-07-05","13:28:09",""
"7133024","10.722","0.003","39.433","0.011","14.317","0.004","90","","97","0.007","90","","6008","3","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H46 Cd N0.5 O17.5 S4 -","- C38 H38 Cd O14 S4 -","- C152 H152 Cd4 O56 S16 -","4","1","","Su, Jian; Han, Xiao; Ke, Si-Wen; Zhou, Xiao-Cheng; Yuan, Shuai; Ding, Mengning; Zuo, Jing-Lin","Construction of a stable radical hydrogen-bonded metal-organic framework with functionalized tetrathiafulvalene linkers.","Chemical communications (Cambridge, England)","2024","60","45","5812","5815","10.1039/d4cc01152j","","","0.71073","MoKα","","0.1182","0.0755","","","0.1934","0.212","","","","","","1.071","","","","has coordinates,has disorder","292829","2024-07-05","13:37:30",""
"7133025","9.474","0.0004","13.9943","0.0005","16.2737","0.0006","90.635","0.002","90.829","0.002","106.097","0.002","2072.54","0.14","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H59 B N4 Si -","- C43 H59 B N4 Si -","- C86 H118 B2 N8 Si2 -","2","1","","Chen, Wenhao; Hu, Haisheng; Feng, Jie; Zhu, Lei; Wu, Di","Synthetic, structural and reactivity studies of a boryl-ethynyl Silylene.","Chemical communications (Cambridge, England)","2024","60","45","5828","5831","10.1039/d4cc00922c","","","0.71073","MoKα","","0.053","0.0447","","","0.1135","0.1204","","","","","","1.017","","","","has coordinates,has disorder","292827","2024-07-05","13:36:46",""
"7133026","12.9587","0.0003","24.1745","0.0005","16.8361","0.0004","90","","103.559","0.001","90","","5127.2","0.2","170","2","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H67 B N4 O2 Si -","- C57 H67 B N4 O2 Si -","- C228 H268 B4 N16 O8 Si4 -","4","1","","Chen, Wenhao; Hu, Haisheng; Feng, Jie; Zhu, Lei; Wu, Di","Synthetic, structural and reactivity studies of a boryl-ethynyl Silylene.","Chemical communications (Cambridge, England)","2024","60","45","5828","5831","10.1039/d4cc00922c","","","0.71073","MoKα","","0.0791","0.0468","","","0.0979","0.1149","","","","","","1.024","","","","has coordinates","292827","2024-07-05","13:37:01",""
"7133027","11.765","0.0003","23.8074","0.0005","23.7692","0.0006","90","","97.721","0.001","90","","6597.3","0.3","170","2","170","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C69 H75 B N4 O2 Si -","- C69 H75 B N4 O2 Si -","- C276 H300 B4 N16 O8 Si4 -","4","1","","Chen, Wenhao; Hu, Haisheng; Feng, Jie; Zhu, Lei; Wu, Di","Synthetic, structural and reactivity studies of a boryl-ethynyl Silylene.","Chemical communications (Cambridge, England)","2024","60","45","5828","5831","10.1039/d4cc00922c","","","0.71073","MoKα","","0.0573","0.0443","","","0.1072","0.1158","","","","","","1.002","","","","has coordinates","292827","2024-07-05","13:37:02",""
"7133028","9.5039","0.0004","14.0108","0.0007","16.3294","0.0008","90.542","0.002","90.684","0.002","106.025","0.002","2089.55","0.17","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H59 B Ge N4 -","- C43 H59 B Ge N4 -","- C86 H118 B2 Ge2 N8 -","2","1","","Chen, Wenhao; Hu, Haisheng; Feng, Jie; Zhu, Lei; Wu, Di","Synthetic, structural and reactivity studies of a boryl-ethynyl Silylene.","Chemical communications (Cambridge, England)","2024","60","45","5828","5831","10.1039/d4cc00922c","","","1.34139","GaKα","","0.0736","0.0536","","","0.1252","0.1326","","","","","","1.119","","","","has coordinates,has disorder","292827","2024-07-05","13:37:03",""
"7133029","13.5861","0.0004","20.8352","0.0005","14.9701","0.0005","90","","100.035","0.001","90","","4172.7","0.2","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H118 B2 N8 O2 Si2 -","- C86 H118 B2 N8 O2 Si2 -","- C172 H236 B4 N16 O4 Si4 -","2","0.5","","Chen, Wenhao; Hu, Haisheng; Feng, Jie; Zhu, Lei; Wu, Di","Synthetic, structural and reactivity studies of a boryl-ethynyl Silylene.","Chemical communications (Cambridge, England)","2024","60","45","5828","5831","10.1039/d4cc00922c","","","0.71073","MoKα","","0.0687","0.0453","","","0.1022","0.1165","","","","","","1.03","","","","has coordinates","292827","2024-07-05","13:37:03",""
"7133030","19.2831","0.0016","10.4515","0.0008","24.172","0.002","90","","103.424","0.003","90","","4738.5","0.7","170","2","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H59 B F5 N5 Si -","- C47.9865 H59 B F5 N5 Si -","- C191.946 H236 B4 F20 N20 Si4 -","4","1","","Chen, Wenhao; Hu, Haisheng; Feng, Jie; Zhu, Lei; Wu, Di","Synthetic, structural and reactivity studies of a boryl-ethynyl Silylene.","Chemical communications (Cambridge, England)","2024","60","45","5828","5831","10.1039/d4cc00922c","","","0.71073","MoKα","","0.1251","0.0663","","","0.1433","0.1737","","","","","","1.017","","","","has coordinates,has disorder","292827","2024-07-05","13:37:03",""
"7133031","11.3552","0.0001","15.4905","0.0002","16.9027","0.0002","101.371","0.001","104.424","0.001","91.701","0.001","2813.17","0.06","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- Cs6 Na3 Nd O54 W10 -","- Cs6 Na3 Nd O54 W10 -","- Cs12 Na6 Nd2 O108 W20 -","2","1","","Colliard, Ian; Deblonde, Gauthier J.-P.","Characterization of the first Peacock-Weakley polyoxometalate containing a transplutonium element: curium bis-pentatungstate [Cm(W<sub>5</sub>O<sub>18</sub>)<sub>2</sub>]<sup>9</sup>.","Chemical communications (Cambridge, England)","2024","60","47","5999","6002","10.1039/d4cc01381f","","x-ray","0.71073","MoKα","","0.0585","0.0515","","","0.1388","0.1433","","","","","","1.014","","","","has coordinates","292807","2024-07-05","13:26:43",""
"7133032","11.46121","0.00014","14.46007","0.00019","17.5536","0.0002","101.11","0.0011","99.4298","0.0011","103.293","0.0011","2711.36","0.06","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- Cm Cs8 Na O50 W10 -","- Cm Cs8 Na O50 W10 -","- Cm2 Cs16 Na2 O100 W20 -","2","1","","Colliard, Ian; Deblonde, Gauthier J.-P.","Characterization of the first Peacock-Weakley polyoxometalate containing a transplutonium element: curium bis-pentatungstate [Cm(W<sub>5</sub>O<sub>18</sub>)<sub>2</sub>]<sup>9</sup>.","Chemical communications (Cambridge, England)","2024","60","47","5999","6002","10.1039/d4cc01381f","","x-ray","0.71073","MoKα","","0.0638","0.0568","","","0.1514","0.1557","","","","","","1.042","","","","has coordinates","292807","2024-07-05","13:26:43",""
"7133033","12.5972","0.0012","10.0613","0.0008","21.8687","0.0017","90","","90.553","0.007","90","","2771.6","0.4","243","0.1","243","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H26 N4 O6 -","- C33 H26 N4 O6 -","- C132 H104 N16 O24 -","4","1","","Zhu, Shugao; Huang, Wenliang; Liu, Shihan; Yu, Rongjing; Ma, Yufeng; Wang, Hong; Zhang, Rui; Liu, Bin; Lan, Yu; Shen, Ruwei","Synthesis of benzooxepane-fused cyclobutene derivatives <i>via</i> Pd-catalyzed cascade reactions of haloarenes and diynylic ethers.","Chemical communications (Cambridge, England)","2024","60","44","5707","5710","10.1039/d4cc00999a","","x-ray","0.71073","MoKα","","0.1193","0.0608","","","0.1611","0.1859","","","","","","1.069","","","","has coordinates","292771","2024-07-05","13:13:34",""
"7133034","6.1621","0.0004","11.6465","0.0006","13.7206","0.0009","90","","102.517","0.006","90","","961.28","0.1","105","8","105","8","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C42 H68 O8 -","- C42 H68 O8 -","- C42 H68 O8 -","1","0.5","","Rivera, Mario E.; Li, Lei; Kolisetti, Aditya; Chi, Nina; Dai, Mingji","9-Step synthesis of (-)-larikaempferic acid methyl ester enabled by skeletal rearrangement.","Chemical communications (Cambridge, England)","2024","60","56","7164","7167","10.1039/d4cc01462f","","x-ray","1.54184","CuKα","","0.0657","0.0649","","","0.1264","0.1268","","","","","","1.0552","","","","has coordinates","293679","2024-08-05","17:20:40",""
"7133035","6.9015","0.0001","11.1195","0.0001","24.8315","0.0003","90","","90","","90","","1905.6","0.04","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H34 O4 -","- C21 H34 O4 -","- C84 H136 O16 -","4","1","","Rivera, Mario E.; Li, Lei; Kolisetti, Aditya; Chi, Nina; Dai, Mingji","9-Step synthesis of (-)-larikaempferic acid methyl ester enabled by skeletal rearrangement.","Chemical communications (Cambridge, England)","2024","60","56","7164","7167","10.1039/d4cc01462f","","x-ray","1.54184","CuKα","","0.0171","0.017","","","0.0433","0.0434","","","","","","1.1437","","","","has coordinates","293679","2024-08-05","17:20:41",""
"7133036","20.0209","0.0002","6.9482","0.0001","29.3036","0.0002","90","","107.026","0.001","90","","3897.74","0.08","100.02","0.1","100.02","0.1","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C21 H34 O4 -","- C21 H34 O4 -","- C168 H272 O32 -","8","2","","Rivera, Mario E.; Li, Lei; Kolisetti, Aditya; Chi, Nina; Dai, Mingji","9-Step synthesis of (-)-larikaempferic acid methyl ester enabled by skeletal rearrangement.","Chemical communications (Cambridge, England)","2024","60","56","7164","7167","10.1039/d4cc01462f","","x-ray","1.54184","CuKα","","0.0257","0.025","","","0.0589","0.0593","","","","","","1.0913","","","","has coordinates","293679","2024-08-05","17:20:41",""
"7133037","12.4612","0.0002","10.5196","0.0001","20.4828","0.0003","90","","107.749","0.002","90","","2557.22","0.07","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H28 F3 N O8 S -","- C23 H28 F3 N O8 S -","- C92 H112 F12 N4 O32 S4 -","4","2","","Moore, Jonathan C.; Modell, Louis; Glenn, Jacqueline R.; Jones, Kieran D.; Argent, Stephen P.; Lane, J. Robert; Canals, Meritxell; Lam, Hon Wai","Enantioselective <i>de novo</i> synthesis of 14-hydroxy-6-oxomorphinans.","Chemical communications (Cambridge, England)","2024","60","47","6007","6010","10.1039/d4cc01788a","","x-ray","1.54184","CuKα","","0.0255","0.0247","","","0.0643","0.0649","","","","","","1.031","","","","has coordinates","292810","2024-07-05","13:27:18",""
"7133038","11.0308","0.0002","11.6724","0.0001","11.0847","0.0002","90","","116.773","0.003","90","","1274.22","0.05","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H28 F3 N O8 S -","- C23 H28 F3 N O8 S -","- C46 H56 F6 N2 O16 S2 -","2","1","","Moore, Jonathan C.; Modell, Louis; Glenn, Jacqueline R.; Jones, Kieran D.; Argent, Stephen P.; Lane, J. Robert; Canals, Meritxell; Lam, Hon Wai","Enantioselective <i>de novo</i> synthesis of 14-hydroxy-6-oxomorphinans.","Chemical communications (Cambridge, England)","2024","60","47","6007","6010","10.1039/d4cc01788a","","x-ray","1.54184","CuKα","","0.0216","0.0215","","","0.0564","0.0565","","","","","","1.03","","","","has coordinates","292810","2024-07-05","13:27:19",""
"7133039","10.163","0.0001","13.6943","0.0002","11.4184","0.0001","90","","92.889","0.001","90","","1587.14","0.03","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N O3 -","- C19 H23 N O3 -","- C76 H92 N4 O12 -","4","2","","Moore, Jonathan C.; Modell, Louis; Glenn, Jacqueline R.; Jones, Kieran D.; Argent, Stephen P.; Lane, J. Robert; Canals, Meritxell; Lam, Hon Wai","Enantioselective <i>de novo</i> synthesis of 14-hydroxy-6-oxomorphinans.","Chemical communications (Cambridge, England)","2024","60","47","6007","6010","10.1039/d4cc01788a","","x-ray","1.54184","CuKα","","0.0326","0.0322","","","0.0859","0.0863","","","","","","1.024","","","","has coordinates,has disorder","292810","2024-07-05","13:27:19",""
"7133040","11.562","0.0008","5.6279","0.0004","26.4527","0.0018","90","","92.458","0.003","90","","1719.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 O2 S -","- C19 H24 O2 S -","- C76 H96 O8 S4 -","4","1","","Suryawanshi, Sharad M.; Sahoo, Suman; Shaligram, Parth S.; Manna, Narugopal; Samanta, Ramesh C.","Electrochemically enabled (3+2) cycloaddition of unbiased alkenes and <i>β</i>-dicarbonyls.","Chemical communications (Cambridge, England)","2024","60","45","5836","5839","10.1039/d4cc01263a","","","0.71073","MoKα","","0.0613","0.0476","","","0.1071","0.1162","","","","","","1.046","","","","has coordinates","292825","2024-07-05","13:34:02",""
"7133041","10.399","0.002","13.561","0.003","9.888","0.0018","90","","90","","90","","1394.4","0.5","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C16 H24 O2 -","- C16 H24 O2 -","- C64 H96 O8 -","4","1","","Suryawanshi, Sharad M.; Sahoo, Suman; Shaligram, Parth S.; Manna, Narugopal; Samanta, Ramesh C.","Electrochemically enabled (3+2) cycloaddition of unbiased alkenes and <i>β</i>-dicarbonyls.","Chemical communications (Cambridge, England)","2024","60","45","5836","5839","10.1039/d4cc01263a","","","0.71073","MoKα","","0.1378","0.0637","","","0.11","0.1352","","","","","","1.033","","","","has coordinates","292825","2024-07-05","13:34:02",""
"7133042","11.0571","0.0005","10.1834","0.0005","11.8525","0.0006","90","","102.1","0.002","90","","1304.93","0.11","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O2 -","- C17 H18 O2 -","- C68 H72 O8 -","4","1","","Suryawanshi, Sharad M.; Sahoo, Suman; Shaligram, Parth S.; Manna, Narugopal; Samanta, Ramesh C.","Electrochemically enabled (3+2) cycloaddition of unbiased alkenes and <i>β</i>-dicarbonyls.","Chemical communications (Cambridge, England)","2024","60","45","5836","5839","10.1039/d4cc01263a","","","1.54178","CuKα","","0.0437","0.0371","","","0.0884","0.0927","","","","","","1.054","","","","has coordinates","292825","2024-07-05","13:34:02",""
"7133043","5.8827","0.0003","24.9167","0.0009","8.1339","0.0003","90","","110.149","0.001","90","","1119.28","0.08","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 O4 -","- C12 H14 O4 -","- C48 H56 O16 -","4","1","","Tao, Li; Wang, He; Liu, Xiao-Fei; Ren, Wei-Min; Lu, Xiao-Bing; Zhang, Wen-Zhen","Electrochemical ring-opening carboxylation of cyclic carbonate with carbon dioxide.","Chemical communications (Cambridge, England)","2024","60","44","5735","5738","10.1039/d4cc01695e","","","0.71073","MoKα","","0.0444","0.0409","","","0.0987","0.1014","","","","","","1.043","","","","has coordinates","292770","2024-07-05","13:13:25",""
"7133044","5.845","0.0012","17.181","0.003","7.9441","0.0015","90","","107.273","0.005","90","","761.8","0.3","292.15","","292.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 O4 -","- C18 H18 O4 -","- C36 H36 O8 -","2","0.5","","Tao, Li; Wang, He; Liu, Xiao-Fei; Ren, Wei-Min; Lu, Xiao-Bing; Zhang, Wen-Zhen","Electrochemical ring-opening carboxylation of cyclic carbonate with carbon dioxide.","Chemical communications (Cambridge, England)","2024","60","44","5735","5738","10.1039/d4cc01695e","","","0.71073","MoKα","","0.2089","0.1231","","","0.2097","0.2355","","","","","","1.099","","","","has coordinates","292770","2024-07-05","13:13:25",""
"7133045","10.828","0.0012","7.9485","0.0009","15.2171","0.0018","90","","95.439","0.006","90","","1303.8","0.3","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 O4 -","- C15 H16 O4 -","- C60 H64 O16 -","4","1","","Tao, Li; Wang, He; Liu, Xiao-Fei; Ren, Wei-Min; Lu, Xiao-Bing; Zhang, Wen-Zhen","Electrochemical ring-opening carboxylation of cyclic carbonate with carbon dioxide.","Chemical communications (Cambridge, England)","2024","60","44","5735","5738","10.1039/d4cc01695e","","","1.54178","CuKα","","0.0554","0.0475","","","0.133","0.1431","","","","","","1.068","","","","has coordinates","292770","2024-07-05","13:13:25",""
"7133046","5.8137","0.0004","8.5017","0.0005","16.6639","0.001","99.886","0.003","92.872","0.003","108.302","0.003","765.58","0.08","296","2","296.5","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H18 O5 -","- C17 H18 O5 -","- C34 H36 O10 -","2","1","","Tao, Li; Wang, He; Liu, Xiao-Fei; Ren, Wei-Min; Lu, Xiao-Bing; Zhang, Wen-Zhen","Electrochemical ring-opening carboxylation of cyclic carbonate with carbon dioxide.","Chemical communications (Cambridge, England)","2024","60","44","5735","5738","10.1039/d4cc01695e","","","1.54178","CuKα","","0.0615","0.0523","","","0.1593","0.173","","","","","","1.092","","","","has coordinates","292770","2024-07-05","13:13:25",""
"7133047","10.78652","0.00015","21.7974","0.0003","17.9089","0.0002","90","","105.265","0.0014","90","","4062.15","0.1","300.15","","300.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H15 B F15 N O -","- C35 H15 B F15 N O -","- C140 H60 B4 F60 N4 O4 -","4","1","","Liang, Pei; Wei, Junhui; Wei, Yongliang; Wang, Xue; Liu, Fei; Wang, Tongdao","Hetero Diels-Alder reactions of isolable <i>N</i>-borylenamines.","Chemical communications (Cambridge, England)","2024","60","46","5964","5967","10.1039/d4cc01645a","","x-ray","1.54184","CuKα","","0.0558","0.0494","","","0.1526","0.1576","","","","","","1.053","","","","has coordinates,has disorder","292801","2024-07-05","13:24:46",""
"7133048","13.6313","0.0003","19.4305","0.0006","24.194","0.0008","90","","99.003","0.003","90","","6329.1","0.3","292.5","0.8","292.5","0.8","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C29 H8 B F15 N2 -","- C29 H8 B F15 N2 -","- C232 H64 B8 F120 N16 -","8","1","","Liang, Pei; Wei, Junhui; Wei, Yongliang; Wang, Xue; Liu, Fei; Wang, Tongdao","Hetero Diels-Alder reactions of isolable <i>N</i>-borylenamines.","Chemical communications (Cambridge, England)","2024","60","46","5964","5967","10.1039/d4cc01645a","","x-ray","1.54184","CuKα","","0.0885","0.0714","","","0.2313","0.2472","","","","","","1.103","","","","has coordinates","292801","2024-07-05","13:24:47",""
"7133049","12.0468","0.0002","16.3233","0.0003","15.715","0.0003","90","","95.2169","0.0016","90","","3077.45","0.1","300.15","","300.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H12 B F15 N4 O2 -","- C35 H12 B F15 N4 O2 -","- C140 H48 B4 F60 N16 O8 -","4","1","","Liang, Pei; Wei, Junhui; Wei, Yongliang; Wang, Xue; Liu, Fei; Wang, Tongdao","Hetero Diels-Alder reactions of isolable <i>N</i>-borylenamines.","Chemical communications (Cambridge, England)","2024","60","46","5964","5967","10.1039/d4cc01645a","","x-ray","1.54184","CuKα","","0.0592","0.0502","","","0.1418","0.149","","","","","","1.055","","","","has coordinates","292801","2024-07-05","13:24:47",""
"7133050","34.981","0.005","9.9268","0.0014","19.229","0.003","90","","109.205","0.004","90","","6305.7","1.6","298.6","","298.6","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H11 B Cl3 F15 N2 -","- C30 H11 B Cl3 F15 N2 -","- C240 H88 B8 Cl24 F120 N16 -","8","1","","Liang, Pei; Wei, Junhui; Wei, Yongliang; Wang, Xue; Liu, Fei; Wang, Tongdao","Hetero Diels-Alder reactions of isolable <i>N</i>-borylenamines.","Chemical communications (Cambridge, England)","2024","60","46","5964","5967","10.1039/d4cc01645a","","x-ray","0.71073","MoKα","","0.1762","0.077","","","0.1885","0.2212","","","","","","0.995","","","","has coordinates","292801","2024-07-05","13:24:47",""
"7133051","11.505","0.005","12.536","0.005","17.074","0.007","77.759","0.013","87.576","0.013","77.117","0.012","2345.9","1.7","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H7 B F15 N -","- C27 H7 B F15 N -","- C108 H28 B4 F60 N4 -","4","2","","Liang, Pei; Wei, Junhui; Wei, Yongliang; Wang, Xue; Liu, Fei; Wang, Tongdao","Hetero Diels-Alder reactions of isolable <i>N</i>-borylenamines.","Chemical communications (Cambridge, England)","2024","60","46","5964","5967","10.1039/d4cc01645a","","x-ray","0.71073","MoKα","","0.0953","0.0447","","","0.0944","0.1109","","","","","","1.024","","","","has coordinates","292801","2024-07-05","13:24:47",""
"7133052","9.3635","0.0015","12.334","0.002","13.652","0.002","108.894","0.005","103.287","0.005","96.811","0.005","1419.5","0.4","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H11 B F15 N -","- C33 H11 B F15 N -","- C66 H22 B2 F30 N2 -","2","1","","Liang, Pei; Wei, Junhui; Wei, Yongliang; Wang, Xue; Liu, Fei; Wang, Tongdao","Hetero Diels-Alder reactions of isolable <i>N</i>-borylenamines.","Chemical communications (Cambridge, England)","2024","60","46","5964","5967","10.1039/d4cc01645a","","x-ray","0.71073","MoKα","","0.0715","0.0445","","","0.1088","0.1199","","","","","","1.04","","","","has coordinates","292801","2024-07-05","13:24:47",""
"7133053","10.152","0.003","10.204","0.003","14.905","0.004","100.952","0.009","99.276","0.008","103.819","0.008","1437.1","0.7","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H11 B F15 N -","- C33 H11 B F15 N -","- C66 H22 B2 F30 N2 -","2","1","","Liang, Pei; Wei, Junhui; Wei, Yongliang; Wang, Xue; Liu, Fei; Wang, Tongdao","Hetero Diels-Alder reactions of isolable <i>N</i>-borylenamines.","Chemical communications (Cambridge, England)","2024","60","46","5964","5967","10.1039/d4cc01645a","","x-ray","0.71073","MoKα","","0.0951","0.0492","","","0.1082","0.1245","","","","","","1.037","","","","has coordinates","292801","2024-07-05","13:24:47",""
"7133054","12.1553","0.0009","18.4902","0.0016","15.9842","0.0014","90","","111.521","0.002","90","","3342.1","0.5","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H21 B F15 N3 -","- C38 H21 B F15 N3 -","- C152 H84 B4 F60 N12 -","4","1","","Liang, Pei; Wei, Junhui; Wei, Yongliang; Wang, Xue; Liu, Fei; Wang, Tongdao","Hetero Diels-Alder reactions of isolable <i>N</i>-borylenamines.","Chemical communications (Cambridge, England)","2024","60","46","5964","5967","10.1039/d4cc01645a","","x-ray","0.71073","MoKα","","0.0906","0.0508","","","0.1144","0.1291","","","","","","1.036","","","","has coordinates","292801","2024-07-05","13:24:47",""
"7133055","21.6338","0.0003","28.0204","0.0003","21.9354","0.0003","90","","98.596","0.001","90","","13147.6","0.3","173","0.1","173","0.1","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C58.06 H70.12 Cl4.12 F4 I2 N6 O9 Se -","- C56 H66 F4 I2 N6 O9 Se -","- C448 H528 F32 I16 N48 O72 Se8 -","8","1","","Liu, Chuan-Zhi; Zhang, Chi; Li, Zhong-Yi; Chen, Jiale; Wang, Tonglu; Zhang, Xiang-Kun; Yan, Meng; Zhai, Bin","Multiple non-covalent-interaction-directed supramolecular double helices: the orthogonality of hydrogen, halogen and chalcogen bonding.","Chemical communications (Cambridge, England)","2024","60","47","6063","6066","10.1039/d4cc01472c","","x-ray","1.54184","CuKα","","0.0622","0.056","","","0.1535","0.1582","","","","","","1.036","","","","has coordinates,has disorder","292808","2024-07-05","13:26:58",""
"7133056","9.5768","0.0005","10.0412","0.0003","18.3416","0.0005","96.6","0.003","101.321","0.003","98.752","0.003","1690.13","0.12","173","0.1","173","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C32 H34 F3 I N4 O5 Se -","- C32 H34 F3 I N4 O5 Se -","- C64 H68 F6 I2 N8 O10 Se2 -","2","1","","Liu, Chuan-Zhi; Zhang, Chi; Li, Zhong-Yi; Chen, Jiale; Wang, Tonglu; Zhang, Xiang-Kun; Yan, Meng; Zhai, Bin","Multiple non-covalent-interaction-directed supramolecular double helices: the orthogonality of hydrogen, halogen and chalcogen bonding.","Chemical communications (Cambridge, England)","2024","60","47","6063","6066","10.1039/d4cc01472c","","x-ray","1.54184","CuKα","","0.0378","0.0339","","","0.0885","0.0918","","","","","","1.088","","","","has coordinates","292808","2024-07-05","13:26:58",""
"7133057","9.6443","0.0003","17.67","0.0006","36.653","0.001","90","","90","","90","","6246.2","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H46 Cd2 N6 O10 -","- C56 H46 Cd2 N6 O10 -","- C224 H184 Cd8 N24 O40 -","4","1","","Fu, Hong-Ru; Ren, Dan-Dan; Zhang, Kun; Wang, Shuang; Yang, Xu-Jing; Ding, Qing-Rong; Wu, Ya-Pan","Hierarchical chiral MOFs with the induced chirality of AIE ligands exhibiting non-reciprocal CPL.","Chemical communications (Cambridge, England)","2024","60","48","6182","6185","10.1039/d4cc00925h","","","0.71073","MoKα","","0.0912","0.0725","","","0.203","0.2237","","","","","","1.093","","","","has coordinates","292815","2024-07-05","13:31:10",""
"7133058","9.6554","0.0002","17.7129","0.0004","36.6589","0.0006","90","","90","","90","","6269.6","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","DCF-15","","- C55 H42 Cd2 N6 O10 -","- C55 H42 Cd2 N6 O10 -","- C220 H168 Cd8 N24 O40 -","4","1","","Fu, Hong-Ru; Ren, Dan-Dan; Zhang, Kun; Wang, Shuang; Yang, Xu-Jing; Ding, Qing-Rong; Wu, Ya-Pan","Hierarchical chiral MOFs with the induced chirality of AIE ligands exhibiting non-reciprocal CPL.","Chemical communications (Cambridge, England)","2024","60","48","6182","6185","10.1039/d4cc00925h","","x-ray","0.71073","MoKα","","0.0913","0.0728","","","0.2034","0.2291","","","","","","1.042","","","","has coordinates","292815","2024-07-05","13:31:14",""
"7133059","13.6565","0.0003","29.6834","0.0009","14.1762","0.0004","90","","90","","90","","5746.6","0.3","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H39 N4 O13 Zn4 -","- C45 H39 N4 O13 Zn4 -","- C180 H156 N16 O52 Zn16 -","4","1","","Fu, Hong-Ru; Ren, Dan-Dan; Zhang, Kun; Wang, Shuang; Yang, Xu-Jing; Ding, Qing-Rong; Wu, Ya-Pan","Hierarchical chiral MOFs with the induced chirality of AIE ligands exhibiting non-reciprocal CPL.","Chemical communications (Cambridge, England)","2024","60","48","6182","6185","10.1039/d4cc00925h","","x-ray","0.71073","MoKα","","0.0624","0.0532","","","0.1473","0.1565","","","","","","1.027","","","","has coordinates","292815","2024-07-05","13:31:16",""
"7133060","13.6827","0.0004","14.1989","0.0007","29.77","0.0014","90","","90","","90","","5783.7","0.4","293","2","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H34 N4 O13 Zn4 -","- C45 H34 N4 O13 Zn4 -","- C180 H136 N16 O52 Zn16 -","4","1","","Fu, Hong-Ru; Ren, Dan-Dan; Zhang, Kun; Wang, Shuang; Yang, Xu-Jing; Ding, Qing-Rong; Wu, Ya-Pan","Hierarchical chiral MOFs with the induced chirality of AIE ligands exhibiting non-reciprocal CPL.","Chemical communications (Cambridge, England)","2024","60","48","6182","6185","10.1039/d4cc00925h","","x-ray","0.71073","MoKα","","0.0663","0.0527","","","0.1325","0.1413","","","","","","1.031","","","","has coordinates","292815","2024-07-05","13:31:19",""
"7133061","15.2417","0.0005","8.1267","0.0002","15.0583","0.0005","90","","113.798","0.004","90","","1706.6","0.1","223","0.1","223","0.1","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C4 H6 Na O14 Re U2 -","- C4 H6 Na O14 Re U2 -","- C16 H24 Na4 O56 Re4 U8 -","4","0.5","","Shohel, Mohammad; Nyman, May","Uranyl-Tc(VII)/Tc(V) hybrid clusters.","Chemical communications (Cambridge, England)","2024","60","45","5820","5823","10.1039/d4cc01726a","","x-ray","1.54184","CuKα","","0.0727","0.0698","","","0.1901","0.1941","","","","","","1.049","","","","has coordinates,has disorder","292828","2024-07-05","13:37:19",""
"7133062","15.2356","0.0008","8.1216","0.0003","15.0053","0.0007","90","","114.061","0.006","90","","1695.39","0.16","223","0.1","223","0.1","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C8 H12 Na2 O30 Tc2 U4 -","- C8 H12 Na2 O30 Tc2 U4 -","- C16 H24 Na4 O60 Tc4 U8 -","2","0.25","","Shohel, Mohammad; Nyman, May","Uranyl-Tc(VII)/Tc(V) hybrid clusters.","Chemical communications (Cambridge, England)","2024","60","45","5820","5823","10.1039/d4cc01726a","","x-ray","1.54184","CuKα","","0.0715","0.0678","","","0.1884","0.1926","","","","","","1.123","","","","has coordinates,has disorder","292828","2024-07-05","13:37:20",""
"7133063","7.7354","0.0003","8.4717","0.0003","12.782","0.0004","94.029","0.003","99.086","0.003","109.92","0.003","770.66","0.05","149.98","0.1","149.98","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C4 H18 O32 Re2 U5 -","- C4 H18 O32 Re2 U5 -","- C4 H18 O32 Re2 U5 -","1","0.5","","Shohel, Mohammad; Nyman, May","Uranyl-Tc(VII)/Tc(V) hybrid clusters.","Chemical communications (Cambridge, England)","2024","60","45","5820","5823","10.1039/d4cc01726a","","x-ray","0.71073","MoKα","","0.0241","0.0197","","","0.0443","0.0455","","","","","","1.04","","","","has coordinates","292828","2024-07-05","13:37:20",""
"7133064","7.7451","0.0003","8.4501","0.0002","12.7565","0.0005","93.982","0.003","99.211","0.003","109.708","0.003","768.96","0.05","172.97","0.1","172.97","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C4 H6 O32 Tc2 U5 -","- C4 H6 O32 Tc2 U5 -","- C4 H6 O32 Tc2 U5 -","1","0.5","","Shohel, Mohammad; Nyman, May","Uranyl-Tc(VII)/Tc(V) hybrid clusters.","Chemical communications (Cambridge, England)","2024","60","45","5820","5823","10.1039/d4cc01726a","","x-ray","1.54184","CuKα","","0.0287","0.026","","","0.0663","0.0681","","","","","","1.109","","","","has coordinates","292828","2024-07-05","13:37:20",""
"7133065","14.371","0.0003","13.8231","0.0003","14.8033","0.0003","90","","90","","90","","2940.7","0.11","222.99","0.1","222.99","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C8 H20 O25.75 Tc U4 -","- C8 H20 O25.75 Tc U4 -","- C32 H80 O103 Tc4 U16 -","4","0.5","","Shohel, Mohammad; Nyman, May","Uranyl-Tc(VII)/Tc(V) hybrid clusters.","Chemical communications (Cambridge, England)","2024","60","45","5820","5823","10.1039/d4cc01726a","","x-ray","1.54184","CuKα","","0.0408","0.0383","","","0.0992","0.1013","","","","","","1.066","","","","has coordinates","292828","2024-07-05","13:37:20",""
"7133066","11.7154","0.0002","14.3463","0.0003","7.0036","0.0001","90","","102.82","0.002","90","","1147.77","0.04","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Br N S -","- C13 H8 Br N S -","- C52 H32 Br4 N4 S4 -","4","1","","Maeda, Bumpei; Akiyoshi, Ryohei; Tanaka, Daisuke; Sato, Kohei; Murakami, Kei","Synthesis of <i>N</i>-β-brominated alkenyl isothiocyanates <i>via</i> dehydrogenation of alkyl isothiocyanates.","Chemical communications (Cambridge, England)","2024","60","47","6015","6018","10.1039/d4cc01666a","","x-ray","1.54184","CuKα","","0.038","0.0363","","","0.0985","0.0999","","","","","","1.114","","","","has coordinates","292809","2024-07-05","13:27:07",""
"7133067","7.4897","0.0002","18.6819","0.0004","19.2474","0.0004","90","","90","","90","","2693.13","0.11","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H10 Br N S -","- C15 H10 Br N S -","- C120 H80 Br8 N8 S8 -","8","1","","Maeda, Bumpei; Akiyoshi, Ryohei; Tanaka, Daisuke; Sato, Kohei; Murakami, Kei","Synthesis of <i>N</i>-β-brominated alkenyl isothiocyanates <i>via</i> dehydrogenation of alkyl isothiocyanates.","Chemical communications (Cambridge, England)","2024","60","47","6015","6018","10.1039/d4cc01666a","","x-ray","1.54184","CuKα","","0.0392","0.0365","","","0.1118","0.1163","","","","","","0.977","","","","has coordinates","292809","2024-07-05","13:27:08",""
"7133068","17.0638","0.0003","4.9924","0.0001","23.7104","0.0004","90","","101.092","0.002","90","","1982.14","0.06","169.99","0.14","169.99","0.14","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H44 N4 O13 S3 -","- C36 H44 N4 O13 S3 -","- C72 H88 N8 O26 S6 -","2","1","","Zhao, Chenyang; Li, Zujian; Ji, Lukang; Wang, Hanxiao; Ouyang, Guanghui; Liu, Minghua","Aggregate-state-dependent photochromism and circularly polarized luminescence of a chiral biquinoline amphiphile.","Chemical communications (Cambridge, England)","2024","60","47","6047","6050","10.1039/d4cc01810a","","x-ray","1.54184","CuKα","","0.0792","0.074","","","0.1921","0.1962","","","","","","1.056","","","","has coordinates,has disorder","292811","2024-07-05","13:27:30",""
"7133069","8.6011","0.0003","12.1473","0.0004","17.1881","0.0006","71.236","0.001","80.474","0.001","79.466","0.001","1660.7","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H32 Br2.31 I1.69 N6 O2 Zn -","- C26 H32 Br2.3 I1.7 N6 O2 Zn -","- C52 H64 Br4.6 I3.4 N12 O4 Zn2 -","2","1","","Manna, Subarna; Sahoo, Sangita; Rit, Arnab","Synthesis of quinazolinone scaffolds <i>via</i> a zinc(II)-stabilized amidyl radical-promoted deaminative approach.","Chemical communications (Cambridge, England)","2024","60","55","7097","7100","10.1039/d4cc01554a","","","0.71073","MoKα","","0.0419","0.0258","","","0.0483","0.0525","","","","","","1.025","","","","has coordinates,has disorder","293670","2024-08-05","17:17:07",""
"7133070","10.8817","0.0003","15.6992","0.0004","25.2074","0.0006","92.731","0.002","92.591","0.002","108.886","0.002","4061.44","0.19","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C107 H97 Cl3 O4 -","- C107 H97 Cl3 O4 -","- C214 H194 Cl6 O8 -","2","1","","Hirano, Junichiro; Miyoshi, Sayaka; Yashima, Eiji; Ikai, Tomoyuki; Shinokubo, Hiroshi; Fukui, Norihito","Synthesis of sterically congested double helicene by alkyne cycloisomerization.","Chemical communications (Cambridge, England)","2024","60","47","6035","6038","10.1039/d4cc01573h","","x-ray","0.71073","MoKα","","0.1577","0.0739","","","0.1584","0.2077","","","","","","1.005","","","","has coordinates","292814","2024-07-05","13:30:47",""
"7133071","15.8974","0.0017","7.835","0.0008","9.4791","0.001","90","","100.682","0.001","90","","1160.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","YC2-9-no-SS","","- C11 H17 N O S2 -","- C11 H17 N O S2 -","- C44 H68 N4 O4 S8 -","4","1","","Cheng, Yuhe; Hyodo, Tadashi; Yamaguchi, Kentaro; Ohwada, Tomohiko; Otani, Yuko","Complete amide <i>cis</i>-<i>trans</i> switching synchronized with disulfide bond formation and cleavage in a proline-mimicking system.","Chemical communications (Cambridge, England)","2024","60","48","6158","6161","10.1039/d4cc01096e","","","0.71073","MoKα","","0.0505","0.046","","","0.1043","0.1078","","","","","","1.062","","","","has coordinates","292820","2024-07-05","13:32:44",""
"7133072","8.1324","0.0003","11.0134","0.0005","20.24","0.0008","77.534","0.004","79.396","0.004","80.934","0.004","1726.67","0.13","99.7","0.7","99.7","0.7","","","","","","","","4","P -1","-P 1","2","","","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C76 H80 N8 O16 -","4","2","","Liu, Zi; Greaney, Michael F.","Aminoarylation of alkynes using diarylanilines.","Chemical communications (Cambridge, England)","2024","60","49","6296","6299","10.1039/d4cc01935k","","x-ray","0.71073","MoKα","","0.0723","0.0514","","","0.1119","0.1232","","","","","","1.032","","","","has coordinates,has disorder","292824","2024-07-05","13:33:49",""
"7133073","9.2993","0.0002","9.8997","0.0002","13.2708","0.0003","82.308","0.002","83.479","0.002","77.987","0.002","1179.57","0.05","298","3","298","3","","","","","","","","4","P -1","-P 1","2","","","","- C15 H11 N S -","- C15 H11 N S -","- C60 H44 N4 S4 -","4","2","","George, 3rd, Gary C; Kruse, Samantha J.; Forbes, Tori Z.; Hutchins, Kristin M.","Off-the-shelf thermosalience of anthracene-9-thiocarboxamide.","Chemical communications (Cambridge, England)","2024","60","60","7697","7700","10.1039/d4cc01765j","","x-ray","1.54184","CuKα","","0.0522","0.0422","","","0.1107","0.1186","","","","","","1.023","","","","has coordinates","293705","2024-08-05","17:31:23",""
"7133074","9.2758","0.0002","9.9051","0.0002","13.2567","0.0003","82.254","0.002","83.462","0.002","77.957","0.001","1175.69","0.04","279.95","0.1","279.95","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C15 H11 N S -","- C15 H11 N S -","- C60 H44 N4 S4 -","4","2","","George, 3rd, Gary C; Kruse, Samantha J.; Forbes, Tori Z.; Hutchins, Kristin M.","Off-the-shelf thermosalience of anthracene-9-thiocarboxamide.","Chemical communications (Cambridge, England)","2024","60","60","7697","7700","10.1039/d4cc01765j","","x-ray","1.54184","CuKα","","0.0539","0.0458","","","0.1215","0.1278","","","","","","1.033","","","","has coordinates","293705","2024-08-05","17:31:23",""
"7133075","9.2177","0.0002","9.9216","0.0002","13.2043","0.0003","82.062","0.002","83.369","0.002","77.928","0.001","1164.89","0.04","219.95","0.1","219.95","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C15 H11 N S -","- C15 H11 N S -","- C60 H44 N4 S4 -","4","2","","George, 3rd, Gary C; Kruse, Samantha J.; Forbes, Tori Z.; Hutchins, Kristin M.","Off-the-shelf thermosalience of anthracene-9-thiocarboxamide.","Chemical communications (Cambridge, England)","2024","60","60","7697","7700","10.1039/d4cc01765j","","x-ray","1.54184","CuKα","","0.0566","0.0512","","","0.1385","0.1431","","","","","","1.061","","","","has coordinates","293705","2024-08-05","17:31:23",""
"7133076","9.1868","0.0001","9.9277","0.0001","13.1688","0.0002","81.952","0.001","83.305","0.001","77.93","0.001","1158.19","0.03","179.94","0.1","179.94","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C15 H11 N S -","- C15 H11 N S -","- C60 H44 N4 S4 -","4","2","","George, 3rd, Gary C; Kruse, Samantha J.; Forbes, Tori Z.; Hutchins, Kristin M.","Off-the-shelf thermosalience of anthracene-9-thiocarboxamide.","Chemical communications (Cambridge, England)","2024","60","60","7697","7700","10.1039/d4cc01765j","","x-ray","1.54184","CuKα","","0.0552","0.0516","","","0.1371","0.1399","","","","","","1.064","","","","has coordinates","293705","2024-08-05","17:31:23",""
"7133077","9.2356","0.0002","9.9171","0.0002","13.2232","0.0003","82.118","0.002","83.407","0.002","77.923","0.001","1168.48","0.04","239.95","0.1","239.95","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C15 H11 N S -","- C15 H11 N S -","- C60 H44 N4 S4 -","4","2","","George, 3rd, Gary C; Kruse, Samantha J.; Forbes, Tori Z.; Hutchins, Kristin M.","Off-the-shelf thermosalience of anthracene-9-thiocarboxamide.","Chemical communications (Cambridge, England)","2024","60","60","7697","7700","10.1039/d4cc01765j","","x-ray","1.54184","CuKα","","0.0561","0.0501","","","0.136","0.1404","","","","","","1.064","","","","has coordinates","293705","2024-08-05","17:31:23",""
"7133078","9.6697","0.0004","10.5598","0.0004","13.8151","0.0004","93.577","0.002","100.035","0.003","113.048","0.003","1264.85","0.09","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 N O S2 -","- C14 H11 N O S2 -","- C56 H44 N4 O4 S8 -","4","2","","Wakabayashi, Ryota; Wang, Shuo; Kurogi, Takashi; Yorimitsu, Hideki","Arylation of benzazoles at the 4 positions by activation of their 2-methylsulfinyl groups.","Chemical communications (Cambridge, England)","2024","60","48","6166","6169","10.1039/d4cc01918k","","","1.54184","CuKα","","0.0323","0.0297","","","0.0783","0.0797","","","","","","1.05","","","","has coordinates","292816","2024-07-05","13:31:28",""
"7133079","10.1221","0.0006","16.1027","0.001","25.1176","0.0016","90","","90","","90","","4094","0.4","100","2","100.01","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H16 N4 O5 Ru S -","- C21 H16 N4 O5 Ru S -","- C168 H128 N32 O40 Ru8 S8 -","8","1","","Yang, Jing; Zhan, Shaoqi; Wang, Linqin; Yang, Hao; Duan, Lele; Fan, Xiaolei; Liu, Tianqi; Sun, Licheng","Adaptive water oxidation catalysis on a carboxylate-sulfonate ligand with low onset potential.","Chemical communications (Cambridge, England)","2024","60","48","6162","6165","10.1039/d4cc02303j","","x-ray","0.71073","MoKα","","0.077","0.0659","","","0.134","0.138","","","","","","1.128","","","","has coordinates,has disorder","292818","2024-07-05","13:32:24",""
"7133080","20.704","0.001","6.2953","0.0003","18.9378","0.0009","90","","108.615","0.005","90","","2339.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","B,O-chelated PPAB","","- C54 H58 B2 N6 O2 S2 -","- C54 H58 B2 N6 O2 S2 -","- C108 H116 B4 N12 O4 S4 -","2","0.5","","Fukami, Shuhei; Mori, Shigeki; Harada, Takunori; Shimizu, Soji","Far-red fluorescence and chiroptical properties of pyrrolopyrrole aza-BODIPYs induced by the <i>B</i>,<i>O</i>-chelation.","Chemical communications (Cambridge, England)","2024","60","48","6170","6173","10.1039/d4cc01586j","","x-ray","0.71073","MoKα","","0.1328","0.0714","","","0.1487","0.174","","","","","","1.021","","","","has coordinates,has disorder","292817","2024-07-05","13:31:45",""
"7133081","7.7011","0.0003","11.6851","0.0006","11.8911","0.0006","75.307","0.004","71.596","0.004","76.096","0.004","967.05","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","Thienyl-thiazole-PPAB","","- C38 H46 B2 F4 N6 S4 -","- C38 H46 B2 F4 N6 S4 -","- C38 H46 B2 F4 N6 S4 -","1","0.5","","Fukami, Shuhei; Mori, Shigeki; Harada, Takunori; Shimizu, Soji","Far-red fluorescence and chiroptical properties of pyrrolopyrrole aza-BODIPYs induced by the <i>B</i>,<i>O</i>-chelation.","Chemical communications (Cambridge, England)","2024","60","48","6170","6173","10.1039/d4cc01586j","","x-ray","0.71073","MoKα","","0.0645","0.0476","","","0.0997","0.1065","","","","","","1.038","","","","has coordinates,has disorder","292817","2024-07-05","13:31:48",""
"7133082","5.946","0.0002","22.981","0.0006","16.1913","0.0004","90","","96.653","0.001","90","","2197.56","0.11","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Br N3 O -","- C25 H22 Br N3 O -","- C100 H88 Br4 N12 O4 -","4","1","","Fall, Arona; Magdei, Mihaela; Savchuk, Mariia; Oudeyer, Sylvain; Beucher, Hélène; Brière, Jean-François","Iron-catalyzed decarboxylative radical addition to chiral azomethine imines upon visible light.","Chemical communications (Cambridge, England)","2024","60","49","6316","6319","10.1039/d4cc01766h","","x-ray","1.54184","CuKα","","0.0712","0.0668","","","0.2173","0.222","","","","","","1.083","","","","has coordinates","292823","2024-07-05","13:33:39",""
"7133083","16.9362","0.0003","10.0156","0.0002","27.6433","0.0005","90","","106.283","0.001","90","","4500.94","0.15","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N3 O2 -","- C26 H25 N3 O2 -","- C208 H200 N24 O16 -","8","2","","Fall, Arona; Magdei, Mihaela; Savchuk, Mariia; Oudeyer, Sylvain; Beucher, Hélène; Brière, Jean-François","Iron-catalyzed decarboxylative radical addition to chiral azomethine imines upon visible light.","Chemical communications (Cambridge, England)","2024","60","49","6316","6319","10.1039/d4cc01766h","","x-ray","1.54184","CuKα","","0.1017","0.0714","","","0.2213","0.2454","","","","","","1.04","","","","has coordinates","292823","2024-07-05","13:33:39",""
"7133084","7.0716","0.0004","7.0716","0.0004","18.0458","0.0019","90","","90","","120","","781.52","0.1","293","","293","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","Cs Al B O Cl","CsAlB3O6Cl","","- Al B3 Cl Cs O6 -","- Al B3 Cl Cs1.0001 O6 -","- Al4 B12 Cl4 Cs4.0004 O24 -","4","0.333333","","Liu, Haoran; Jiao, Jiahao; Tudi, Abudukadi; Liu, Qingyu; Yang, Zhihua; Pan, Shilie; Zhang, Min","CsAlB<sub>3</sub>O<sub>6</sub>Cl: the rational construction of a KBBF-type structure with aligned <sup>2</sup><sub>∞</sub>[AlB<sub>3</sub>O<sub>6</sub>Cl] layers <i>via</i> introducing unprecedented [AlO<sub>3</sub>Cl] tetrahedra.","Chemical communications (Cambridge, England)","2024","60","51","6516","6519","10.1039/d4cc01827c","","","0.71073","MoKα","","0.0399","0.0317","","","0.0771","0.0802","","","","","","1.252","","","","has coordinates","292767","2024-07-05","13:12:53",""
"7133085","7.8521","0.0004","11.3081","0.0008","15.9901","0.0009","90","","90","","90","","1419.8","0.15","230","","230","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C6 I3 N Pb -","- C6 I3 N Pb -","- C24 I12 N4 Pb4 -","4","0.5","","Möbs, Jakob; Tomori, Ajna; Heine, Johanna","Formation of iminium ions during the processing of metal halide perovskites.","Chemical communications (Cambridge, England)","2024","60","51","6488","6491","10.1039/d4cc01735h","","x-ray","0.71073","MoKα","","0.074","0.0421","","","0.1084","0.1181","","","","","","1.003","","","","has coordinates,has disorder","292766","2024-07-05","13:12:44",""
"7133086","7.3846","0.0001","7.3846","0.0001","7.2299","0.0002","90","","90","","90","","394.263","0.013","100","","100","","","","","","","","","4","I 4/m","-I 4","87","","","","- C5 H12 I N -","- C5 H12 I N -","- C10 H24 I2 N2 -","2","0.125","","Möbs, Jakob; Tomori, Ajna; Heine, Johanna","Formation of iminium ions during the processing of metal halide perovskites.","Chemical communications (Cambridge, England)","2024","60","51","6488","6491","10.1039/d4cc01735h","","x-ray","0.71073","MoKα","","0.0205","0.0172","","","0.0365","0.0375","","","","","","1.092","","","","has coordinates,has disorder","292766","2024-07-05","13:12:44",""
"7133087","16.745","0.004","16.745","0.004","8.387","0.003","90","","90","","120","","2036.6","1","273","","273","","","","","","","","","5","P 63/m","-P 6c","176","","","","- C5 H12 I3 N Pb -","- C5 H12 I3 N Pb -","- C30 H72 I18 N6 Pb6 -","6","0.5","","Möbs, Jakob; Tomori, Ajna; Heine, Johanna","Formation of iminium ions during the processing of metal halide perovskites.","Chemical communications (Cambridge, England)","2024","60","51","6488","6491","10.1039/d4cc01735h","","","0.71073","MoKα","","0.0917","0.0406","","","0.0859","0.0981","","","","","","1.029","","","","has coordinates,has disorder","292766","2024-07-05","13:12:45",""
"7133088","16.4064","0.0004","16.4064","0.0004","8.3883","0.0003","90","","90","","120","","1955.38","0.1","100","","100","","","","","","","","","5","P 63/m","-P 6c","176","","","","- C5 H12 I3 N Pb -","- C5 H12 I3 N Pb -","- C30 H72 I18 N6 Pb6 -","6","0.5","","Möbs, Jakob; Tomori, Ajna; Heine, Johanna","Formation of iminium ions during the processing of metal halide perovskites.","Chemical communications (Cambridge, England)","2024","60","51","6488","6491","10.1039/d4cc01735h","","x-ray","0.71073","MoKα","","0.0772","0.0342","","","0.0541","0.061","","","","","","1.026","","","","has coordinates,has disorder","292766","2024-07-05","13:12:45",""
"7133089","27.458","0.006","23.377","0.005","11.615","0.003","90","","90.454","0.009","90","","7455","3","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C84 H62 N2 O12 S8 -","- C84 H62 N2 O12 S8 -","- C336 H248 N8 O48 S32 -","4","1","","Du, Zhenglin; Xie, Jialin; Liu, Yandie; Tang, Yisong; Chen, Qing; Li, Xia; Zhu, Kelong","A π-extended molecular belt with selective binding capability for fullerene C<sub>70</sub>.","Chemical communications (Cambridge, England)","2024","60","50","6387","6390","10.1039/d4cc01966k","","","0.71073","MoKα","","0.0884","0.0714","","","0.1736","0.1914","","","","","","1.037","","","","has coordinates,has disorder","292805","2024-07-05","13:26:13",""
"7133090","17.1449","0.0006","33.6954","0.0012","21.4769","0.0007","90","","92.559","0.002","90","","12394.9","0.7","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C142 H52 O8 S8 -","- C142 H52 O8 S8 -","- C568 H208 O32 S32 -","4","1","","Du, Zhenglin; Xie, Jialin; Liu, Yandie; Tang, Yisong; Chen, Qing; Li, Xia; Zhu, Kelong","A π-extended molecular belt with selective binding capability for fullerene C<sub>70</sub>.","Chemical communications (Cambridge, England)","2024","60","50","6387","6390","10.1039/d4cc01966k","","","1.54178","CuKα","","0.1545","0.0932","","","0.2816","0.3397","","","","","","1.034","","","","has coordinates,has disorder","292805","2024-07-05","13:26:13",""
"7133091","10.405","0.0009","10.991","0.002","12.216","0.003","109.33","0.02","91.872","0.012","104.146","0.013","1268.4","0.4","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H32 N2 O6 -","- C30 H32 N2 O6 -","- C60 H64 N4 O12 -","2","1","","Songsermsawad, Sarita; Shemchuk, Oleksii; Robeyns, Koen; Collard, Laurent; E Flood, Adrian; Leyssens, Tom","Simultaneously resolving BINOL and proline using a stoichiometric cocrystal switch.","Chemical communications (Cambridge, England)","2024","60","52","6607","6610","10.1039/d4cc02180k","","","0.71073","MoKα","","0.1342","0.0781","","","0.1367","0.1541","","","","","","1.108","","","","has coordinates,has disorder","292797","2024-07-05","13:23:14",""
"7133092","9.12901","0.00014","13.7793","0.0002","27.6456","0.0004","90","","90","","90","","3477.58","0.09","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C45 H37 N O6 -","- C45 H37 N O6 -","- C180 H148 N4 O24 -","4","1","","Songsermsawad, Sarita; Shemchuk, Oleksii; Robeyns, Koen; Collard, Laurent; E Flood, Adrian; Leyssens, Tom","Simultaneously resolving BINOL and proline using a stoichiometric cocrystal switch.","Chemical communications (Cambridge, England)","2024","60","52","6607","6610","10.1039/d4cc02180k","","","0.71073","MoKα","","0.0385","0.0363","","","0.0939","0.095","","","","","","1.125","","","","has coordinates,has disorder","292797","2024-07-05","13:23:15",""
"7133093","14.9083","0.001","8.1008","0.0005","12.162","0.0007","90","","90","","90","","1468.79","0.16","100","","100","","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C10 H20 Cu2 N5 -","- C10 H20 Cu2 N5 -","- C40 H80 Cu8 N20 -","4","0.25","","Iwai, Yuudai; Nakaya, Manabu; Tsuji, Yuta; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","Giant anisotropic thermal expansion of copper-cyanido flat layers with flexible copper nodes.","Chemical communications (Cambridge, England)","2024","60","51","6512","6515","10.1039/d4cc01232a","","","0.71073","MoKα","","0.0278","0.0254","","","0.066","0.0676","","","","","","1.128","","","","has coordinates","292763","2024-07-05","13:11:53",""
"7133094","14.8851","0.0008","8.1225","0.0004","12.2203","0.0006","90","","90","","90","","1477.49","0.13","150","","150","","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C10 H20 Cu2 N5 -","- C10 H20 Cu2 N5 -","- C40 H80 Cu8 N20 -","4","0.25","","Iwai, Yuudai; Nakaya, Manabu; Tsuji, Yuta; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","Giant anisotropic thermal expansion of copper-cyanido flat layers with flexible copper nodes.","Chemical communications (Cambridge, England)","2024","60","51","6512","6515","10.1039/d4cc01232a","","","0.71073","MoKα","","0.0294","0.0262","","","0.0691","0.0717","","","","","","1.092","","","","has coordinates","292763","2024-07-05","13:11:55",""
"7133095","14.7778","0.001","8.2376","0.0006","12.5337","0.0008","90","","90","","90","","1525.77","0.18","350","","350","","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C10 H20 Cu2 N5 -","- C10 H20 Cu2 N5 -","- C40 H80 Cu8 N20 -","4","0.25","","Iwai, Yuudai; Nakaya, Manabu; Tsuji, Yuta; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","Giant anisotropic thermal expansion of copper-cyanido flat layers with flexible copper nodes.","Chemical communications (Cambridge, England)","2024","60","51","6512","6515","10.1039/d4cc01232a","","","0.71073","MoKα","","0.0376","0.0323","","","0.0877","0.093","","","","","","1.049","","","","has coordinates","292763","2024-07-05","13:11:55",""
"7133096","14.8065","0.0007","8.2051","0.0003","12.4448","0.0005","90","","90","","90","","1511.9","0.11","300","","300","","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C10 H20 Cu2 N5 -","- C10 H20 Cu2 N5 -","- C40 H80 Cu8 N20 -","4","0.25","","Iwai, Yuudai; Nakaya, Manabu; Tsuji, Yuta; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","Giant anisotropic thermal expansion of copper-cyanido flat layers with flexible copper nodes.","Chemical communications (Cambridge, England)","2024","60","51","6512","6515","10.1039/d4cc01232a","","","0.71073","MoKα","","0.0336","0.0302","","","0.0851","0.0883","","","","","","1.065","","","","has coordinates","292763","2024-07-05","13:11:55",""
"7133097","14.8624","0.0004","8.1463","0.0002","12.2872","0.0003","90","","90","","90","","1487.66","0.07","200","","200","","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C10 H20 Cu2 N5 -","- C10 H20 Cu2 N5 -","- C40 H80 Cu8 N20 -","4","0.25","","Iwai, Yuudai; Nakaya, Manabu; Tsuji, Yuta; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","Giant anisotropic thermal expansion of copper-cyanido flat layers with flexible copper nodes.","Chemical communications (Cambridge, England)","2024","60","51","6512","6515","10.1039/d4cc01232a","","","0.71073","MoKα","","0.0325","0.0287","","","0.0799","0.0837","","","","","","1.065","","","","has coordinates","292763","2024-07-05","13:11:55",""
"7133098","14.8279","0.0004","8.1752","0.0002","12.366","0.0003","90","","90","","90","","1499.02","0.07","250","","250","","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C10 H20 Cu2 N5 -","- C10 H20 Cu2 N5 -","- C40 H80 Cu8 N20 -","4","0.25","","Iwai, Yuudai; Nakaya, Manabu; Tsuji, Yuta; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","Giant anisotropic thermal expansion of copper-cyanido flat layers with flexible copper nodes.","Chemical communications (Cambridge, England)","2024","60","51","6512","6515","10.1039/d4cc01232a","","","0.71073","MoKα","","0.0328","0.0297","","","0.0795","0.0819","","","","","","1.097","","","","has coordinates","292763","2024-07-05","13:11:55",""
"7133099","14.7531","0.0007","8.2731","0.0004","12.6466","0.0005","90","","90","","90","","1543.57","0.12","400","","400","","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C10 H20 Cu2 N5 -","- C10 H20 Cu2 N5 -","- C40 H80 Cu8 N20 -","4","0.25","","Iwai, Yuudai; Nakaya, Manabu; Tsuji, Yuta; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","Giant anisotropic thermal expansion of copper-cyanido flat layers with flexible copper nodes.","Chemical communications (Cambridge, England)","2024","60","51","6512","6515","10.1039/d4cc01232a","","","0.71073","MoKα","","0.0415","0.0341","","","0.0934","0.0997","","","","","","1.063","","","","has coordinates","292763","2024-07-05","13:11:55",""
"7133100","7.3843","0.0002","20.0427","0.0005","24.5666","0.0006","90","","90","","90","","3635.89","0.16","103.15","","103.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","carbonyl-bridged rhodol","1a","","- C27 H17 N O3 -","- C27 H17 N O3 -","- C216 H136 N8 O24 -","8","1","","Tanioka, Masaru; Mori, Minori; Harada, Mei; Matsuya, Yuji; Kamino, Shinichiro","Nonpolar selective emission (NPSE) of carbonyl-bridged rhodols.","Chemical communications (Cambridge, England)","2024","60","50","6407","6410","10.1039/d4cc01071j","","x-ray","1.54184","CuKα","","0.0663","0.0527","","","0.141","0.152","","","","","","1.026","","","","has coordinates","292806","2024-07-05","13:26:29",""
"7133101","10.994","0.0003","11.0404","0.0003","17.6631","0.0004","83.512","0.002","80.77","0.002","72.972","0.003","2018.43","0.1","103.15","","103.15","","","","","","","","","5","P -1","-P 1","2","carbonyl-bridged rhodol","1c","","- C28 H16 F3 N O3 -","- C28 H16 F3 N O3 -","- C112 H64 F12 N4 O12 -","4","2","","Tanioka, Masaru; Mori, Minori; Harada, Mei; Matsuya, Yuji; Kamino, Shinichiro","Nonpolar selective emission (NPSE) of carbonyl-bridged rhodols.","Chemical communications (Cambridge, England)","2024","60","50","6407","6410","10.1039/d4cc01071j","","x-ray","1.54184","CuKα","","0.06","0.0527","","","0.1464","0.1534","","","","","","1.022","","","","has coordinates","295543","2024-10-18","15:17:09",""
"7133102","7.75825","0.00012","18.8157","0.0004","31.7145","0.0006","90","","90","","90","","4629.58","0.15","103.15","","103.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","carbonyl-bridged rhodol","1b","","- C32 H19 N O3 -","- C32 H19 N O3 -","- C256 H152 N8 O24 -","8","1","","Tanioka, Masaru; Mori, Minori; Harada, Mei; Matsuya, Yuji; Kamino, Shinichiro","Nonpolar selective emission (NPSE) of carbonyl-bridged rhodols.","Chemical communications (Cambridge, England)","2024","60","50","6407","6410","10.1039/d4cc01071j","","x-ray","1.54184","CuKα","","0.0426","0.0387","","","0.1021","0.1053","","","","","","1.027","","","","has coordinates","292806","2024-07-05","13:26:29",""
"7133103","9.8316","0.0011","10.568","0.001","17.2201","0.0018","81.653","0.003","83.058","0.004","85.688","0.003","1754.2","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","Fe(QF–H)2","","- C44 H32 Fe N10 -","- C44 H32 Fe N10 -","- C88 H64 Fe2 N20 -","2","1","","Sung, Yu-Shien; Tomat, Elisa","Quinoline-based tetrazolium prochelators: formazan release, iron sequestration, and antiproliferative efficacy in cancer cells.","Chemical communications (Cambridge, England)","2024","60","48","6150","6153","10.1039/d4cc01523a","","","0.71073","MoKα","","0.0658","0.0467","","","0.105","0.1168","","","","","","1.045","","","","has coordinates","292819","2024-07-05","13:32:36",""
"7133104","5.0705","0.0002","19.7168","0.0007","21.861","0.001","90","","90","","90","","2185.53","0.15","169.99","0.1","169.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N O5 -","- C26 H25 N O5 -","- C104 H100 N4 O20 -","4","1","","Yang, Yang; Yang, Chenchen; Zhu, Xuefeng; Zhang, Li; Liu, Minghua","Interfacial self-assembly of a chiral pyrene exciplex into a superhelix with enhanced circularly polarized luminescence.","Chemical communications (Cambridge, England)","2024","60","52","6631","6634","10.1039/d4cc01820f","","x-ray","1.54184","CuKα","","0.0799","0.0646","","","0.163","0.1788","","","","","","1.088","","","","has coordinates","292799","2024-07-05","13:23:58",""
"7133105","32.307","0.002","14.1238","0.0011","16.6531","0.0012","90","","97.426","0.003","90","","7535","0.9","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H58 Cu2 N6 O16 -","- C68 H58 Cu2 N6 O16 -","- C272 H232 Cu8 N24 O64 -","4","0.5","","Saura-Sanmartin, Adrian; Cutillas-Font, Guillermo; Martinez-Cuezva, Alberto; Alajarin, Mateo; Esteban-Betegón, Fátima; Pena-Sánchez, Pilar; Gándara, Felipe; Berna, Jose","Mechanical bonding of rigid MORFs using a tetratopic rotaxane.","Chemical communications (Cambridge, England)","2024","60","50","6431","6434","10.1039/d4cc02065k","","","0.71073","MoKα","","0.0989","0.0736","","","0.1768","0.1894","","","","","","1.048","","","","has coordinates","292804","2024-07-05","13:25:52",""
"7133106","16.795","0.0009","33.97","0.002","13.8988","0.0008","90","","90","","90","","7929.6","0.8","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C68 H60 Co2 N6 O19 -","- C68 H60 Co2 N6 O19 -","- C272 H240 Co8 N24 O76 -","4","0.5","","Saura-Sanmartin, Adrian; Cutillas-Font, Guillermo; Martinez-Cuezva, Alberto; Alajarin, Mateo; Esteban-Betegón, Fátima; Pena-Sánchez, Pilar; Gándara, Felipe; Berna, Jose","Mechanical bonding of rigid MORFs using a tetratopic rotaxane.","Chemical communications (Cambridge, England)","2024","60","50","6431","6434","10.1039/d4cc02065k","","","0.71073","MoKα","","0.11","0.0726","","","0.2003","0.2519","","","","","","1.08","","","","has coordinates,has disorder","292804","2024-07-05","13:25:53",""
"7133107","5.82","0.003","9.093","0.004","23.432","0.012","79.032","0.012","87.963","0.016","78.447","0.012","1192.7","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H25 N O -","- C33 H25 N O -","- C66 H50 N2 O2 -","2","1","","Yao, Yu-Xiang; Zhang, Jing; Min, Xuehong; Qin, Lan; Wei, Yi; Gao, Yang; Hu, Xiao-Qiang","Expedient access to polysubstituted acrylamides <i>via</i> strain-release-driven dual phosphine and palladium catalysis.","Chemical communications (Cambridge, England)","2024","60","51","6532","6535","10.1039/d4cc01968g","","","0.71073","MoKα","","0.1645","0.0939","","","0.2176","0.2434","","","","","","1.05","","","","has coordinates","292765","2024-07-05","13:12:24",""
"7133108","12.4215","0.0008","27.311","0.002","9.588","0.0007","90","","112.62","0.003","90","","3002.5","0.4","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 Cl2 N O2 -","- C35 H27 Cl2 N O2 -","- C140 H108 Cl8 N4 O8 -","4","1","","Yao, Yu-Xiang; Zhang, Jing; Min, Xuehong; Qin, Lan; Wei, Yi; Gao, Yang; Hu, Xiao-Qiang","Expedient access to polysubstituted acrylamides <i>via</i> strain-release-driven dual phosphine and palladium catalysis.","Chemical communications (Cambridge, England)","2024","60","51","6532","6535","10.1039/d4cc01968g","","","1.54178","CuKα","","0.1771","0.1096","","","0.2108","0.2381","","","","","","1.36","","","","has coordinates","292765","2024-07-05","13:12:24",""
"7133109","11.302","0.013","22.17","0.03","9.91","0.011","90","","107.88","0.03","90","","2363","5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H23 N O3 -","- C29 H23 N O3 -","- C116 H92 N4 O12 -","4","1","","Yao, Yu-Xiang; Zhang, Jing; Min, Xuehong; Qin, Lan; Wei, Yi; Gao, Yang; Hu, Xiao-Qiang","Expedient access to polysubstituted acrylamides <i>via</i> strain-release-driven dual phosphine and palladium catalysis.","Chemical communications (Cambridge, England)","2024","60","51","6532","6535","10.1039/d4cc01968g","","","0.71073","MoKα","","0.1835","0.0734","","","0.1792","0.2335","","","","","","0.996","","","","has coordinates","292765","2024-07-05","13:12:24",""
"7133110","30.2694","0.0006","7.47312","0.00014","21.66","0.0005","90","","90","","90","","4899.64","0.18","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","ts221118-tsue","","- C27 H25 F3 O5 S -","- C27 H25 F3 O5 S -","- C216 H200 F24 O40 S8 -","8","2","","Shimajiri, Takuya; Tsue, Taiga; Koakutsu, Shumpei; Ishigaki, Yusuke; Suzuki, Takanori","Crystallographic and spectroscopic studies on persistent triarylpropargyl cations.","Chemical communications (Cambridge, England)","2024","60","56","7152","7155","10.1039/d4cc01786b","","x-ray","1.54184","CuKα","","0.0734","0.0595","","","0.1592","0.1708","","","","","","1.03","","","","has coordinates","293680","2024-08-05","17:21:02",""
"7133111","7.3296","0.0002","14.8403","0.0004","19.798","0.0006","90","","99.989","0.003","90","","2120.85","0.11","150","","150","","","","","","","","","5","C 1 c 1","C -2yc","9","","ts240117-kakt1-150K_autored","","- C25 H19 F3 O4 S -","- C25 H19 F3 O4 S -","- C100 H76 F12 O16 S4 -","4","1","","Shimajiri, Takuya; Tsue, Taiga; Koakutsu, Shumpei; Ishigaki, Yusuke; Suzuki, Takanori","Crystallographic and spectroscopic studies on persistent triarylpropargyl cations.","Chemical communications (Cambridge, England)","2024","60","56","7152","7155","10.1039/d4cc01786b","","x-ray","1.54184","CuKα","","0.0635","0.0624","","","0.1716","0.1729","","","","","","1.075","","","","has coordinates,has disorder","293680","2024-08-05","17:21:03",""
"7133112","6.8567","0.0003","19.3806","0.0009","14.5799","0.0006","90","","93.309","0.004","90","","1934.25","0.15","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ts240206-tsue2-150K_auto","","- C24 H19 B F4 O -","- C24 H19 B F4 O -","- C96 H76 B4 F16 O4 -","4","1","","Shimajiri, Takuya; Tsue, Taiga; Koakutsu, Shumpei; Ishigaki, Yusuke; Suzuki, Takanori","Crystallographic and spectroscopic studies on persistent triarylpropargyl cations.","Chemical communications (Cambridge, England)","2024","60","56","7152","7155","10.1039/d4cc01786b","","x-ray","1.54184","CuKα","","0.1011","0.0873","","","0.2488","0.2605","","","","","","1.071","","","","has coordinates","293680","2024-08-05","17:21:03",""
"7133113","7.7877","0.0001","13.5269","0.0003","14.2246","0.0003","115.433","0.002","102.323","0.002","95.02","0.002","1294.53","0.05","150","","150","","","","","","","","","6","P -1","-P 1","2","","ts240209-tsue2-150Kre_auto","","- C26 H19 F6 N O5 S2 -","- C26 H19 F6 N O5 S2 -","- C52 H38 F12 N2 O10 S4 -","2","1","","Shimajiri, Takuya; Tsue, Taiga; Koakutsu, Shumpei; Ishigaki, Yusuke; Suzuki, Takanori","Crystallographic and spectroscopic studies on persistent triarylpropargyl cations.","Chemical communications (Cambridge, England)","2024","60","56","7152","7155","10.1039/d4cc01786b","","x-ray","1.54184","CuKα","","0.0428","0.0401","","","0.1123","0.1146","","","","","","1.079","","","","has coordinates","293680","2024-08-05","17:21:03",""
"7133114","14.2426","0.00018","14.5647","0.0002","15.1706","0.0002","117.808","0.0014","98.1608","0.0011","104.991","0.0012","2558.64","0.08","150","","150","","","","","","","","","6","P -1","-P 1","2","","ts240209-tsue1-150K_auto","","- C26 H19 F6 N O5 S2 -","- C26 H19 F6 N O5 S2 -","- C104 H76 F24 N4 O20 S8 -","4","2","","Shimajiri, Takuya; Tsue, Taiga; Koakutsu, Shumpei; Ishigaki, Yusuke; Suzuki, Takanori","Crystallographic and spectroscopic studies on persistent triarylpropargyl cations.","Chemical communications (Cambridge, England)","2024","60","56","7152","7155","10.1039/d4cc01786b","","x-ray","1.54184","CuKα","","0.0376","0.0351","","","0.0991","0.1011","","","","","","1.054","","","","has coordinates","293680","2024-08-05","17:21:03",""
"7133115","9.7758","0.0004","10.513","0.0005","11.2193","0.0005","90.001","0.004","112.552","0.004","105.12","0.004","1021.51","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H11 F3 N2 O4 -","- C17 H11 F3 N2 O4 -","- C34 H22 F6 N4 O8 -","2","1","","Wang, Manqing; Xu, Yuanshuang; Hou, Huihang; Zhang, Xinying; Fan, Xuesen","Divergent synthesis of pyrrolizine derivatives through C-H bond functionalization of pyrroles.","Chemical communications (Cambridge, England)","2024","60","51","6536","6539","10.1039/d4cc02158d","","x-ray","1.54184","CuKα","","0.0803","0.068","","","0.2064","0.2177","","","","","","1.059","","","","has coordinates","292761","2024-07-05","13:11:26",""
"7133116","10.9356","0.0007","17.2071","0.0009","9.5578","0.0005","90","","113.916","0.007","90","","1644.07","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 F3 N2 O3 -","- C17 H15 F3 N2 O3 -","- C68 H60 F12 N8 O12 -","4","1","","Wang, Manqing; Xu, Yuanshuang; Hou, Huihang; Zhang, Xinying; Fan, Xuesen","Divergent synthesis of pyrrolizine derivatives through C-H bond functionalization of pyrroles.","Chemical communications (Cambridge, England)","2024","60","51","6536","6539","10.1039/d4cc02158d","","x-ray","1.54184","CuKα","","0.0659","0.0531","","","0.1416","0.1518","","","","","","1.104","","","","has coordinates","292761","2024-07-05","13:11:26",""
"7133117","10.7562","0.0012","13.4826","0.0016","14.1323","0.0017","115.435","0.004","107.508","0.004","96.665","0.005","1692","0.4","153","","153","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H50 N P -","- C39 H50 N P -","- C78 H100 N2 P2 -","2","1","","Wittwer, B.; Heim, F.; Wurst, K.; Hohloch, S.","A bridging bis-phosphanido-phosphinidene complex of lanthanum supported by a sterically encumbering PN ligand.","Chemical communications (Cambridge, England)","2024","60","57","7299","7302","10.1039/d4cc02244k","","","0.71073","MoKα","","0.066","0.0522","","","0.1258","0.135","","","","","","1.041","","","","has coordinates,has disorder","293695","2024-08-05","17:27:26",""
"7133118","10.4197","0.0003","14.0561","0.0004","18.9616","0.0006","90","","100.363","0.001","90","","2731.82","0.14","153","","153","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 Br N -","- C33 H36 Br N -","- C132 H144 Br4 N4 -","4","1","","Wittwer, B.; Heim, F.; Wurst, K.; Hohloch, S.","A bridging bis-phosphanido-phosphinidene complex of lanthanum supported by a sterically encumbering PN ligand.","Chemical communications (Cambridge, England)","2024","60","57","7299","7302","10.1039/d4cc02244k","","","0.71073","MoKα","","0.0447","0.0377","","","0.1025","0.1074","","","","","","1.024","","","","has coordinates","293695","2024-08-05","17:27:26",""
"7133119","15.498","0.003","16.566","0.004","22.288","0.004","76.309","0.006","70.924","0.006","69.957","0.007","5030.1","1.8","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C109 H143 La2 N2 O P5 -","- C109 H143 La2 N2 O P5 -","- C218 H286 La4 N4 O2 P10 -","2","1","","Wittwer, B.; Heim, F.; Wurst, K.; Hohloch, S.","A bridging bis-phosphanido-phosphinidene complex of lanthanum supported by a sterically encumbering PN ligand.","Chemical communications (Cambridge, England)","2024","60","57","7299","7302","10.1039/d4cc02244k","","","0.71073","MoKα","","0.0496","0.0346","","","0.0799","0.0869","","","","","","1.04","","","","has coordinates","293695","2024-08-05","17:27:26",""
"7133120","11.463","0.0004","16.2623","0.0005","24.992","0.001","90","","97.374","0.001","90","","4620.3","0.3","152","","152","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H69 K N O2 P -","- C47 H69 K N O2 P -","- C188 H276 K4 N4 O8 P4 -","4","1","","Wittwer, B.; Heim, F.; Wurst, K.; Hohloch, S.","A bridging bis-phosphanido-phosphinidene complex of lanthanum supported by a sterically encumbering PN ligand.","Chemical communications (Cambridge, England)","2024","60","57","7299","7302","10.1039/d4cc02244k","","","0.71073","MoKα","","0.049","0.045","","","0.1255","0.1303","","","","","","1.038","","","","has coordinates,has disorder","293695","2024-08-05","17:27:26",""
"7133121","12.833","0.0013","16.681","0.0017","21.1112","0.0018","98.117","0.003","100.137","0.003","108.631","0.004","4120","0.7","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C164 H216 Cl10 K2 La4 N4 O2 P4 -","- C164 H216 Cl10 K2 La4 N4 O2 P4 -","- C164 H216 Cl10 K2 La4 N4 O2 P4 -","1","0.5","","Wittwer, B.; Heim, F.; Wurst, K.; Hohloch, S.","A bridging bis-phosphanido-phosphinidene complex of lanthanum supported by a sterically encumbering PN ligand.","Chemical communications (Cambridge, England)","2024","60","57","7299","7302","10.1039/d4cc02244k","","","0.71073","MoKα","","0.0664","0.0465","","","0.1103","0.1278","","","","","","1.047","","","","has coordinates,has disorder","293695","2024-08-05","17:27:26",""
"7133122","20.5986","0.0013","24.7411","0.0015","32.569","0.002","90","","95.767","0.002","90","","16514.2","1.8","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C85.6 H117 Cl La N2 O1.9 P2 -","- C84 H113 Cl La N2 O1.5 P2 -","- C672 H904 Cl8 La8 N16 O12 P16 -","8","2","","Wittwer, B.; Heim, F.; Wurst, K.; Hohloch, S.","A bridging bis-phosphanido-phosphinidene complex of lanthanum supported by a sterically encumbering PN ligand.","Chemical communications (Cambridge, England)","2024","60","57","7299","7302","10.1039/d4cc02244k","","","0.71073","MoKα","","0.0703","0.0519","","","0.1159","0.1299","","","","","","1.073","","","","has coordinates,has disorder","293695","2024-08-05","17:27:26",""
"7133123","6.4786","0.0002","15.6097","0.0005","13.6164","0.0005","90","","100.478","0.002","90","","1354.05","0.08","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N9 O -","- C11 H11 N9 O -","- C44 H44 N36 O4 -","4","1","","Liu, Ziwei; Jiang, Clancy Zhijian; Bond, Andrew D.; Tosca, Nicholas J.; Sutherland, John D.","Manganese(II) promotes prebiotically plausible non-enzymatic RNA ligation reactions.","Chemical communications (Cambridge, England)","2024","60","51","6528","6531","10.1039/d4cc01086h","","","1.54178","CuKα","","0.0375","0.0321","","","0.0776","0.0808","","","","","","1.075","","","","has coordinates","292760","2024-07-05","13:11:13",""
"7133124","13.3806","0.0002","13.864","0.0002","15.8118","0.0002","114.886","0.001","90.41","0.001","117.953","0.001","2272.67","0.07","302.74","0.1","302.74","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H48 Br2 N2 O6 S4 -","- C46 H48 Br2 N2 O6 S4 -","- C92 H96 Br4 N4 O12 S8 -","2","1","","Li, Jia; Li, Liang; Mao, Mingming; Li, Rui-Peng; Huo, Xing; Tang, Shouchu","Site-selective synthesis of indanyl-substituted indole derivatives <i>via</i> 1,3-dithiane induced Nazarov cyclization.","Chemical communications (Cambridge, England)","2024","60","51","6540","6543","10.1039/d4cc01963f","","x-ray","1.54184","CuKα","","0.042","0.0376","","","0.1002","0.1039","","","","","","1.033","","","","has coordinates","292764","2024-07-05","13:12:10",""
"7133125","22.747","0.002","25.744","0.003","26.168","0.002","82.095","0.004","83.235","0.003","63.886","0.004","13601","2","219","","219","","","","","","","","","5","P -1","-P 1","2","","","","- C165 H129 Ce4 N39 O27 -","- C165 H129 Ce4 N39 O27 -","- C330 H258 Ce8 N78 O54 -","2","1","","Zhao, Lehua; Zhang, Yu; Wang, Huali; Wang, Jing; He, Cheng; Zhao, Liang; Duan, Chunying","Isolation of a copper photocatalyst on a metal-organic cage for the sulfonylation of aryl halides resulting from visible-light-mediated C(sp<sup>2</sup>)-S cross-coupling.","Chemical communications (Cambridge, England)","2024","60","53","6805","6808","10.1039/d4cc02061h","","","0.71073","MoKα","","0.0926","0.0634","","","0.1832","0.2001","","","","","","1.023","","","","has coordinates","292783","2024-07-05","13:18:42",""
"7133126","9.8789","0.0001","11.0575","0.0002","11.8202","0.0002","106.201","0.001","104.242","0.001","105.035","0.001","1124.69","0.03","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H23 F Ge O -","- C27 H23 F Ge O -","- C54 H46 F2 Ge2 O2 -","2","1","","Lu, Xiao-Yu; Qian, Yu-Jun; Sun, Hai-Lun; Su, Meng-Xue; Wang, Zi-Zhen; Jiang, Fan; Zhou, Xin-Yue; Sun, Yan-Xi; Shi, Wan-Li; Wan, Ji-Ru","Photoinduced decarboxylative germylation of α-fluoroacrylic acids: access to germylated monofluoroalkenes.","Chemical communications (Cambridge, England)","2024","60","51","6556","6559","10.1039/d4cc02037e","","","1.34139","GaKα","","0.0356","0.0342","","","0.0902","0.0914","","","","","","1.034","","","","has coordinates","292762","2024-07-05","13:11:36",""
"7133127","13.8775","0.0012","7.5913","0.0004","15.0147","0.0012","90","","116.937","0.01","90","","1410.2","0.2","120.01","0.1","120.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N4 O5 -","- C14 H16 N4 O5 -","- C56 H64 N16 O20 -","4","1","","Al Rahal, Okba; Ferguson, Michael; Lennox, Cameron B.; Male, Louise; Friščić, Tomislav","Structure of the caffeine-pyrogallol complex: revisiting a pioneering structural analysis of a model pharmaceutical cocrystal.","Chemical communications (Cambridge, England)","2024","60","58","7431","7434","10.1039/d4cc02289k","","x-ray","1.54184","CuKα","","0.0562","0.0469","","","0.1226","0.131","","","","","","1.07","","","","has coordinates","293675","2024-08-05","17:19:06",""
"7133128","23.1123","0.0005","23.1123","0.0005","6.8449","0.0002","90","","90","","90","","3656.4","0.15","120.01","0.1","120.01","0.1","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C14 H24 N4 O9 -","- C14 H24 N4 O9 -","- C112 H192 N32 O72 -","8","1","","Al Rahal, Okba; Ferguson, Michael; Lennox, Cameron B.; Male, Louise; Friščić, Tomislav","Structure of the caffeine-pyrogallol complex: revisiting a pioneering structural analysis of a model pharmaceutical cocrystal.","Chemical communications (Cambridge, England)","2024","60","58","7431","7434","10.1039/d4cc02289k","","x-ray","1.54184","CuKα","","0.063","0.0447","","","0.108","0.1211","","","","","","1.057","","","","has coordinates,has disorder","293675","2024-08-05","17:19:16",""
"7133129","10.5949","0.0002","14.4051","0.0003","11.7972","0.0003","90","","91.105","0.002","90","","1800.16","0.07","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tricarbonyl-dibromo-bis(3,5-dimethyl-1H-pyrazole)-tungsten","","- C13 H16 Br2 N4 O3 W -","- C13 H16 Br2 N4 O3 W -","- C52 H64 Br8 N16 O12 W4 -","4","1","","Steiner, Lorenz; Ćorović, Miljan Z; Dupé, Antoine; Mösch-Zanetti, Nadia C","Vinyl-pyrazole as a biomimetic acetaldehyde surrogate.","Chemical communications (Cambridge, England)","2024","60","54","6873","6876","10.1039/d4cc01305k","","x-ray","0.71073","MoKα","","0.0428","0.0343","","","0.0824","0.086","","","","","","1.054","","","","has coordinates","292834","2024-07-05","13:39:11",""
"7133130","9.2942","0.0002","10.3885","0.0002","11.1039","0.0002","63.402","0.002","75.498","0.001","79.694","0.001","925.34","0.04","99.97","0.18","99.97","0.18","","","","","","","","7","P -1","-P 1","2","","fac-tricarbonyl-dibromo-(1-(1-iminoethyl)-3,5-dimethylpyrazole-N,N')-tungsten(II) chloroform solvate","","- C11 H12 Br2 Cl3 N3 O3 W -","- C11 H12 Br2 Cl3 N3 O3 W -","- C22 H24 Br4 Cl6 N6 O6 W2 -","2","1","","Steiner, Lorenz; Ćorović, Miljan Z; Dupé, Antoine; Mösch-Zanetti, Nadia C","Vinyl-pyrazole as a biomimetic acetaldehyde surrogate.","Chemical communications (Cambridge, England)","2024","60","54","6873","6876","10.1039/d4cc01305k","","x-ray","0.71073","MoKα","","0.0267","0.023","","","0.0444","0.0452","","","","","","1.038","","","","has coordinates","292834","2024-07-05","13:39:11",""
"7133131","7.857","0.0001","15.9287","0.0003","12.3215","0.0002","90","","90","","90","","1542.06","0.04","100","0.13","100","0.13","","","","","","","","7","P 21 21 2","P 2 2ab","18","","(mu-3,5-dimethylpyrazolyl)-bis((mu2-hydroxo)-(3,5-dimethyl-1H-pyrazole,N)-(eta2-ethyne)-carbonyl)-di-tungsten bromide chloroform 1:1 solvate","","- C22 H30 Br Cl3 N6 O4 W2 -","- C22 H30 Br Cl3 N6 O4 W2 -","- C44 H60 Br2 Cl6 N12 O8 W4 -","2","0.5","","Steiner, Lorenz; Ćorović, Miljan Z; Dupé, Antoine; Mösch-Zanetti, Nadia C","Vinyl-pyrazole as a biomimetic acetaldehyde surrogate.","Chemical communications (Cambridge, England)","2024","60","54","6873","6876","10.1039/d4cc01305k","","x-ray","0.71073","MoKα","","0.028","0.022","","","0.0457","0.0471","","","","","","1.062","","","","has coordinates,has disorder","292834","2024-07-05","13:39:11",""
"7133132","11.3229","0.0003","8.0358","0.0002","21.4613","0.0005","90","","95.852","0.002","90","","1942.56","0.08","100.04","0.1","100.04","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","carbonyl-bromo-(eta2-ethyne)-(1-(1-iminoethyl)-3,5-dimethylpyrazole-N,N')-(3,5-dimethylpyrazole-N)-tungsten(II) bromide","","- C15 H21 Br2 N5 O W -","- C15 H21 Br2 N5 O W -","- C60 H84 Br8 N20 O4 W4 -","4","1","","Steiner, Lorenz; Ćorović, Miljan Z; Dupé, Antoine; Mösch-Zanetti, Nadia C","Vinyl-pyrazole as a biomimetic acetaldehyde surrogate.","Chemical communications (Cambridge, England)","2024","60","54","6873","6876","10.1039/d4cc01305k","","x-ray","0.71073","MoKα","","0.0342","0.0259","","","0.0544","0.0571","","","","","","1.044","","","","has coordinates","292834","2024-07-05","13:39:11",""
"7133133","10.7822","0.0009","10.9047","0.0009","12.0558","0.001","88.037","0.002","83.186","0.003","89.353","0.003","1406.6","0.2","170","","170","","","","","","","","","3","P -1","-P 1","2","","","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","2","","Liu, Hongjian; Jiang, Huanfeng; Qi, Chaorong","Macrocyclization of carbon dioxide with 3-triflyloxybenzynes and tetrahydrofuran: straightforward access to 14-membered macrolactones.","Chemical communications (Cambridge, England)","2024","60","52","6639","6642","10.1039/d4cc01229a","","","0.71073","MoKα","","0.1937","0.0701","","","0.113","0.1592","","","","","","1.065","","","","has coordinates,has disorder","292798","2024-07-05","13:23:42",""
"7133134","8.8302","0.0005","11.4492","0.0006","20.293","0.001","90","","90","","90","","2051.6","0.19","170","","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 F3 O7 S -","- C18 H23 F3 O7 S -","- C72 H92 F12 O28 S4 -","4","1","","Liu, Hongjian; Jiang, Huanfeng; Qi, Chaorong","Macrocyclization of carbon dioxide with 3-triflyloxybenzynes and tetrahydrofuran: straightforward access to 14-membered macrolactones.","Chemical communications (Cambridge, England)","2024","60","52","6639","6642","10.1039/d4cc01229a","","","0.71073","MoKα","","0.085","0.0479","","","0.0869","0.1054","","","","","","1.039","","","","has coordinates","292798","2024-07-05","13:23:42",""
"7133135","13.4729","0.0008","13.6729","0.0008","14.874","0.0008","65.885","0.002","84.653","0.002","77.547","0.002","2442","0.2","171","","171","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 F3 O7 S -","- C24 H27 F3 O7 S -","- C96 H108 F12 O28 S4 -","4","2","","Liu, Hongjian; Jiang, Huanfeng; Qi, Chaorong","Macrocyclization of carbon dioxide with 3-triflyloxybenzynes and tetrahydrofuran: straightforward access to 14-membered macrolactones.","Chemical communications (Cambridge, England)","2024","60","52","6639","6642","10.1039/d4cc01229a","","","0.71073","MoKα","","0.1601","0.0694","","","0.1373","0.1819","","","","","","1.047","","","","has coordinates,has disorder","292798","2024-07-05","13:23:42",""
"7133136","6.0028","0.0002","11.2789","0.0003","13.1074","0.0004","64.982","0.001","80.954","0.001","87.69","0.001","793.83","0.04","296.15","","296.15","","","","","","","","","3","P -1","-P 1","2","","10auga_o_0m","","- C20 H30 O -","- C20 H30 O -","- C40 H60 O2 -","2","1","","Dethe, Dattatraya H.; Sharma, Nitin; Juyal, Sakshi; Singh, Prabhakar; Siddiqui, Salman A.","Enantioselective total synthesis of atisane diterpenoids: (+)-sapinsigin H, (+)-agallochaol C, and (+)-16α, 17-dihydroxy-atisan-3-one.","Chemical communications (Cambridge, England)","2024","60","61","7866","7869","10.1039/d4cc01982b","","","0.71073","MoKα","","0.0424","0.039","","","0.1013","0.104","","","","","","1.053","","","","has coordinates","293723","2024-08-05","17:38:14",""
"7133137","12.3655","0.0001","14.1523","0.0002","19.2237","0.0003","69.523","0.001","76.232","0.001","65.51","0.001","2850.94","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C61 H92 Cr Li N4 O5 -","- C61 H92 Cr Li N4 O5 -","- C122 H184 Cr2 Li2 N8 O10 -","2","1","","D'Arpino, Alexander A; Wolczanski, Peter T.; MacMillan, Samantha N.; Cundari, Thomas R.; Krumov, Mihail R.","Reduction of (pddi)Cr reveals redox noninnocence <i>via</i> C-C bond formation amidst competing electrophilicity: [(cpta)CrMe<sub><i>n</i></sub>]<sup>-</sup> (<i>n</i> = 0, 1) and [(pta)Cr]<sup/>.","Chemical communications (Cambridge, England)","2024","60","53","6785","6788","10.1039/d4cc01690d","","x-ray","1.54184","CuKα","","0.0563","0.0541","","","0.1483","0.151","","","","","","1.048","","","","has coordinates","292779","2024-07-05","13:16:18",""
"7133138","11.7699","0.0001","16.1506","0.0002","17.7227","0.0002","97.669","0.001","105.27","0.001","108.783","0.001","2987.77","0.07","101","1","101","1","","","","","","","","6","P -1","-P 1","2","","","","- C62 H95 Cr Li N4 O5 -","- C62 H95 Cr Li N4 O5 -","- C124 H190 Cr2 Li2 N8 O10 -","2","1","","D'Arpino, Alexander A; Wolczanski, Peter T.; MacMillan, Samantha N.; Cundari, Thomas R.; Krumov, Mihail R.","Reduction of (pddi)Cr reveals redox noninnocence <i>via</i> C-C bond formation amidst competing electrophilicity: [(cpta)CrMe<sub><i>n</i></sub>]<sup>-</sup> (<i>n</i> = 0, 1) and [(pta)Cr]<sup/>.","Chemical communications (Cambridge, England)","2024","60","53","6785","6788","10.1039/d4cc01690d","","x-ray","1.54184","CuKα","","0.048","0.0465","","","0.1275","0.1288","","","","","","1.062","","","","has coordinates,has disorder","292779","2024-07-05","13:16:20",""
"7133139","11.7863","0.0001","14.0237","0.0002","19.3145","0.0003","85.096","0.001","78.035","0.001","75.843","0.001","3026.2","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C61 H90 Cr K N4 O8 -","- C61 H90 Cr K N4 O8 -","- C122 H180 Cr2 K2 N8 O16 -","2","1","","D'Arpino, Alexander A; Wolczanski, Peter T.; MacMillan, Samantha N.; Cundari, Thomas R.; Krumov, Mihail R.","Reduction of (pddi)Cr reveals redox noninnocence <i>via</i> C-C bond formation amidst competing electrophilicity: [(cpta)CrMe<sub><i>n</i></sub>]<sup>-</sup> (<i>n</i> = 0, 1) and [(pta)Cr]<sup/>.","Chemical communications (Cambridge, England)","2024","60","53","6785","6788","10.1039/d4cc01690d","","x-ray","1.54184","CuKα","","0.0425","0.0403","","","0.1085","0.1102","","","","","","1.085","","","","has coordinates,has disorder","292779","2024-07-05","13:16:20",""
"7133140","41.8744","0.0003","41.8744","0.0003","15.4776","0.0001","90","","90","","120","","23503.4","0.3","102.6","0.5","102.6","0.5","","","","","","","","6","R -3 :H","-R 3","148","","","","- C102 H140 Cr2 K2 N8 O5 -","- C102 H140 Cr2 K2 N8 O5 -","- C918 H1260 Cr18 K18 N72 O45 -","9","0.5","","D'Arpino, Alexander A; Wolczanski, Peter T.; MacMillan, Samantha N.; Cundari, Thomas R.; Krumov, Mihail R.","Reduction of (pddi)Cr reveals redox noninnocence <i>via</i> C-C bond formation amidst competing electrophilicity: [(cpta)CrMe<sub><i>n</i></sub>]<sup>-</sup> (<i>n</i> = 0, 1) and [(pta)Cr]<sup/>.","Chemical communications (Cambridge, England)","2024","60","53","6785","6788","10.1039/d4cc01690d","","x-ray","1.54184","CuKα","","0.0782","0.0678","","","0.2045","0.2192","","","","","","1.047","","","","has coordinates,has disorder","292779","2024-07-05","13:16:20",""
"7133141","12.1161","0.0001","19.5547","0.0002","29.7051","0.0002","82.767","0.001","81.408","0.001","78.704","0.001","6790.16","0.1","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C140 H202 Cr2 K2 N8 O17 -","- C140 H202 Cr2 K2 N8 O17 -","- C280 H404 Cr4 K4 N16 O34 -","2","1","","D'Arpino, Alexander A; Wolczanski, Peter T.; MacMillan, Samantha N.; Cundari, Thomas R.; Krumov, Mihail R.","Reduction of (pddi)Cr reveals redox noninnocence <i>via</i> C-C bond formation amidst competing electrophilicity: [(cpta)CrMe<sub><i>n</i></sub>]<sup>-</sup> (<i>n</i> = 0, 1) and [(pta)Cr]<sup/>.","Chemical communications (Cambridge, England)","2024","60","53","6785","6788","10.1039/d4cc01690d","","x-ray","1.54184","CuKα","","0.0597","0.0564","","","0.1539","0.1568","","","","","","1.016","","","","has coordinates,has disorder","292779","2024-07-05","13:16:20",""
"7133142","12.6492","0.0009","13.6605","0.001","21.8343","0.0014","81.4","0.002","78.136","0.002","78.97","0.002","3600.1","0.4","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C70 H63 B Cl3 F24 N2 O3 P -","- C70 H63 B Cl3 F24 N2 O3 P -","- C140 H126 B2 Cl6 F48 N4 O6 P2 -","2","1","","Karnbrock, Simon B. H.; Golz, Christopher; Alcarazo, Manuel","P(V)-bis(amidophenolate) ligand cooperation: stoichiometric CO-bond cleavage in aldehydes and ketones.","Chemical communications (Cambridge, England)","2024","60","53","6745","6748","10.1039/d4cc02202e","","x-ray","0.71073","MoKα","","0.0574","0.0461","","","0.1145","0.1227","","","","","","1.034","","","","has coordinates,has disorder","292781","2024-07-05","13:17:51",""
"7133143","13.6399","0.0013","16.8477","0.0013","19.2953","0.0016","115.857","0.003","102.316","0.002","98.273","0.002","3754.1","0.6","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C149 H136 B2 F48 N4 O6 P2 -","- C149 H136 B2 F48 N4 O6 P2 -","- C149 H136 B2 F48 N4 O6 P2 -","1","0.5","","Karnbrock, Simon B. H.; Golz, Christopher; Alcarazo, Manuel","P(V)-bis(amidophenolate) ligand cooperation: stoichiometric CO-bond cleavage in aldehydes and ketones.","Chemical communications (Cambridge, England)","2024","60","53","6745","6748","10.1039/d4cc02202e","","x-ray","0.71073","MoKα","","0.0683","0.0531","","","0.1336","0.1474","","","","","","1.047","","","","has coordinates,has disorder","292781","2024-07-05","13:17:52",""
"7133144","20.964","0.0007","12.2176","0.0003","20.1457","0.0007","90","","93.743","0.001","90","","5148.9","0.3","100","","100","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C45 H60 Cl7 Ga2 N2 O3 P -","- C45 H60 Cl7 Ga2 N2 O3 P -","- C180 H240 Cl28 Ga8 N8 O12 P4 -","4","1","","Karnbrock, Simon B. H.; Golz, Christopher; Alcarazo, Manuel","P(V)-bis(amidophenolate) ligand cooperation: stoichiometric CO-bond cleavage in aldehydes and ketones.","Chemical communications (Cambridge, England)","2024","60","53","6745","6748","10.1039/d4cc02202e","","x-ray","0.71073","MoKα","","0.0231","0.0224","","","0.058","0.0583","","","","","","1.027","","","","has coordinates","292781","2024-07-05","13:17:52",""
"7133145","12.1449","0.0017","18.623","0.003","20.405","0.003","70.624","0.003","73.911","0.004","75.97","0.004","4125.1","1.1","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C86 H85 B F24 N5 O3 P -","- C84 H82 B F24 N4 O3 P -","- C168 H164 B2 F48 N8 O6 P2 -","2","1","","Karnbrock, Simon B. H.; Golz, Christopher; Alcarazo, Manuel","P(V)-bis(amidophenolate) ligand cooperation: stoichiometric CO-bond cleavage in aldehydes and ketones.","Chemical communications (Cambridge, England)","2024","60","53","6745","6748","10.1039/d4cc02202e","","x-ray","0.71073","MoKα","","0.0766","0.0576","","","0.1441","0.1551","","","","","","1.087","","","","has coordinates,has disorder","292781","2024-07-05","13:17:52",""
"7133146","13.9705","0.0008","31.6393","0.0019","19.2626","0.0012","90","","93.898","0.002","90","","8494.7","0.9","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","5-[(adamantan-1-yl)methylidene]-7,9,13,15-tetra-t-butyl-11-oxo-5H,11H-11λ5-dibenzo[4,5:7,8][1,3,6,2]oxadiazaphosphocino[2,3-b][1,3,2]benzoxazaphosphol-5-ium tetrakis[3,5-bis(trifluoromethyl)phenyl]borate toluene solvate","","- C91 H88 B F24 N2 O3 P -","- C91 H88 B F24 N2 O3 P -","- C364 H352 B4 F96 N8 O12 P4 -","4","1","","Karnbrock, Simon B. H.; Golz, Christopher; Alcarazo, Manuel","P(V)-bis(amidophenolate) ligand cooperation: stoichiometric CO-bond cleavage in aldehydes and ketones.","Chemical communications (Cambridge, England)","2024","60","53","6745","6748","10.1039/d4cc02202e","","x-ray","0.71073","MoKα","","0.0776","0.0613","","","0.1155","0.1228","","","","","","1.092","","","","has coordinates,has disorder","292781","2024-07-05","13:17:52",""
"7133147","13.1456","0.0007","17.6698","0.0012","20.0734","0.0015","95.272","0.002","103.875","0.002","91.26","0.002","4502.8","0.5","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C89.36 H97.27 B F24 N2 O3 P Si -","- C89.364 H97.272 B F24 N2 O3 P Si -","- C178.728 H194.544 B2 F48 N4 O6 P2 Si2 -","2","1","","Karnbrock, Simon B. H.; Golz, Christopher; Alcarazo, Manuel","P(V)-bis(amidophenolate) ligand cooperation: stoichiometric CO-bond cleavage in aldehydes and ketones.","Chemical communications (Cambridge, England)","2024","60","53","6745","6748","10.1039/d4cc02202e","","x-ray","0.71073","MoKα","","0.0714","0.0534","","","0.1375","0.1511","","","","","","1.072","","","","has coordinates,has disorder","292781","2024-07-05","13:17:52",""
"7133148","13.9743","0.0017","16.814","0.002","19.335","0.003","115.292","0.003","106.112","0.003","94.371","0.004","3845.7","0.9","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C79 H74 B F24 N2 O3 P -","- C78.16 H73.04 B F24 N2 O3 P -","- C156.32 H146.08 B2 F48 N4 O6 P2 -","2","1","","Karnbrock, Simon B. H.; Golz, Christopher; Alcarazo, Manuel","P(V)-bis(amidophenolate) ligand cooperation: stoichiometric CO-bond cleavage in aldehydes and ketones.","Chemical communications (Cambridge, England)","2024","60","53","6745","6748","10.1039/d4cc02202e","","","0.71073","MoKα","","0.0691","0.0543","","","0.1369","0.1494","","","","","","1.018","","","","has coordinates,has disorder","292781","2024-07-05","13:17:52",""
"7133149","12.366","0.0008","20.9073","0.0015","29.743","0.002","90","","97.228","0.002","90","","7628.6","0.9","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C79 H64 B F24 N2 O3 P -","- C79 H64 B F24 N2 O3 P -","- C316 H256 B4 F96 N8 O12 P4 -","4","1","","Karnbrock, Simon B. H.; Golz, Christopher; Alcarazo, Manuel","P(V)-bis(amidophenolate) ligand cooperation: stoichiometric CO-bond cleavage in aldehydes and ketones.","Chemical communications (Cambridge, England)","2024","60","53","6745","6748","10.1039/d4cc02202e","","x-ray","0.71073","MoKα","","0.056","0.0434","","","0.1098","0.1198","","","","","","1.021","","","","has coordinates,has disorder","292781","2024-07-05","13:17:52",""
"7133150","14.4111","0.0004","20.2712","0.0005","10.3678","0.0003","90","","129.444","0.002","90","","2338.94","0.13","113","2","113","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","- C112 H120 N8 O16 -","4","1","","Sakai, Dan; Kojima, Tatsuhiro; Kawasaki-Takasuka, Tomoko; Mori, Keiji","Stereoselective synthesis of 6/7/6-fused heterocycles with multiple stereocenters <i>via</i> an internal redox reaction/inverse electron-demand hetero-Diels-Alder reaction sequence.","Chemical communications (Cambridge, England)","2024","60","53","6797","6800","10.1039/d4cc02351j","","x-ray","0.71073","MoKα","","0.0319","0.0307","","","0.0795","0.0807","","","","","","1.04","","","","has coordinates","292784","2024-07-05","13:18:55",""
"7133151","9.9028","0.0012","11.7064","0.0012","11.8877","0.001","89.667","0.008","74.086","0.009","77.512","0.009","1291.8","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H32 Cl2 N2 O4 -","- C29 H32 Cl2 N2 O4 -","- C58 H64 Cl4 N4 O8 -","2","1","","Sakai, Dan; Kojima, Tatsuhiro; Kawasaki-Takasuka, Tomoko; Mori, Keiji","Stereoselective synthesis of 6/7/6-fused heterocycles with multiple stereocenters <i>via</i> an internal redox reaction/inverse electron-demand hetero-Diels-Alder reaction sequence.","Chemical communications (Cambridge, England)","2024","60","53","6797","6800","10.1039/d4cc02351j","","x-ray","0.71073","MoKα","","0.1545","0.0736","","","0.1744","0.2045","","","","","","1.039","","","","has coordinates","292784","2024-07-05","13:18:55",""
"7133152","8.1462","0.0004","13.1951","0.0005","15.8775","0.0007","90","","96.946","0.004","90","","1694.15","0.13","298.15","","298.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","LXY","","- C31 H46 F N S Si2 -","- C31 H46 F N S Si2 -","- C62 H92 F2 N2 S2 Si4 -","2","1","","Zhou, Pengfei; Liang, Xinyao; Xu, Zekun; Chen, Honggu; Wei, Zongwu; Liang, Taoyuan; Jiang, Jun; Zhang, Zhuan","Regiodivergent C-H alkynylation of 2-arylthiazoles switched by Ru<sup>II</sup> and Pd<sup>II</sup> catalysis.","Chemical communications (Cambridge, England)","2024","60","52","6679","6682","10.1039/d4cc02254h","","x-ray","0.71073","MoKα","","0.0993","0.0659","","","0.1685","0.1946","","","","","","1.037","","","","has coordinates,has disorder","292800","2024-07-05","13:24:10",""
"7133153","8.798","0.0007","12.4654","0.0013","21.0908","0.0014","104.49","0.007","90.974","0.006","91.921","0.007","2237.4","0.3","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","xzk","","- C22 H29 N O S Si -","- C22 H29 N O S Si -","- C88 H116 N4 O4 S4 Si4 -","4","2","","Zhou, Pengfei; Liang, Xinyao; Xu, Zekun; Chen, Honggu; Wei, Zongwu; Liang, Taoyuan; Jiang, Jun; Zhang, Zhuan","Regiodivergent C-H alkynylation of 2-arylthiazoles switched by Ru<sup>II</sup> and Pd<sup>II</sup> catalysis.","Chemical communications (Cambridge, England)","2024","60","52","6679","6682","10.1039/d4cc02254h","","x-ray","0.71073","MoKα","","0.1493","0.0671","","","0.1786","0.2381","","","","","","1.019","","","","has coordinates","292800","2024-07-05","13:24:10",""
"7133154","7.7775","0.0002","19.6476","0.0004","22.0751","0.0005","90","","90","","90","","3373.28","0.13","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H39 N O8 -","- C38 H39 N O8 -","- C152 H156 N4 O32 -","4","1","","Sun, Chunzhao; Inokuma, Tsubasa; Tsuji, Daisuke; Yamaoka, Yousuke; Akagi, Reiko; Yamada, Ken-Ichi","Total synthesis of 1,4a-di-<i>epi-ent</i>-pancratistatin, exemplifying a stereodivergent approach to pancratistatin isomers.","Chemical communications (Cambridge, England)","2024","60","53","6757","6760","10.1039/d4cc02199a","","","1.54184","CuKα","","0.0411","0.0374","","","0.0987","0.1048","","","","","","1.11","","","","has coordinates,has disorder","292780","2024-07-05","13:16:35",""
"7133155","10.8258","0.0001","13.1828","0.0002","15.3126","0.0002","90","","79.363","0.001","90","","2147.78","0.05","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C51 H39 Cl2 N O13 -","- C51 H39 Cl2 N O13 -","- C102 H78 Cl4 N2 O26 -","2","1","","Sun, Chunzhao; Inokuma, Tsubasa; Tsuji, Daisuke; Yamaoka, Yousuke; Akagi, Reiko; Yamada, Ken-Ichi","Total synthesis of 1,4a-di-<i>epi-ent</i>-pancratistatin, exemplifying a stereodivergent approach to pancratistatin isomers.","Chemical communications (Cambridge, England)","2024","60","53","6757","6760","10.1039/d4cc02199a","","","1.54184","CuKα","","0.0849","0.0816","","","0.2214","0.2299","","","","","","1.063","","","","has coordinates","292780","2024-07-05","13:16:43",""
"7133156","20.264","0.003","7.9353","0.0011","11.0226","0.0013","90","","90","","90","","1772.4","0.4","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H22 Br5 In N2 O2 -","- C6 H22 Br5 In N2 O2 -","- C24 H88 Br20 In4 N8 O8 -","4","0.5","","Biswas, Shuva; Mandal, Arnab; Swain, Diptikanta; Biswas, Kanishka","Synthesis and soft crystal structure-induced broad emission of (NH<sub>3</sub>C<sub>6</sub>H<sub>12</sub>NH<sub>3</sub>)InBr<sub>5</sub>·2H<sub>2</sub>O.","Chemical communications (Cambridge, England)","2024","60","60","7757","7760","10.1039/d4cc01822b","","","0.71073","MoKα","","0.0341","0.0304","","","0.0817","0.0839","","","","","","1.04","","","","has coordinates","293704","2024-08-05","17:31:02",""
"7133157","7.8333","0.0013","20.223","0.003","10.9317","0.0017","90","","91.232","0.007","90","","1731.3","0.5","127","2","127","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H22 Br5 In N2 O2 -","- C6 H22 Br5 In N2 O2 -","- C24 H88 Br20 In4 N8 O8 -","4","1","","Biswas, Shuva; Mandal, Arnab; Swain, Diptikanta; Biswas, Kanishka","Synthesis and soft crystal structure-induced broad emission of (NH<sub>3</sub>C<sub>6</sub>H<sub>12</sub>NH<sub>3</sub>)InBr<sub>5</sub>·2H<sub>2</sub>O.","Chemical communications (Cambridge, England)","2024","60","60","7757","7760","10.1039/d4cc01822b","","","0.71073","MoKα","","0.1042","0.0865","","","0.2492","0.2686","","","","","","1.078","","","","has coordinates","293704","2024-08-05","17:31:04",""
"7133158","11.2312","0.0004","14.7726","0.0006","8.2671","0.0003","90","","109.062","0.001","90","","1296.42","0.08","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 O2 -","- C18 H14 O2 -","- C72 H56 O8 -","4","1","","Zhang, Xu; Chang, Mengfan; Xu, Xuefeng; Zhao, Qiang","Direct access to furan and cyclopropane derivatives <i>via</i> palladium-catalyzed C-H activation/alkene insertion/annulation.","Chemical communications (Cambridge, England)","2024","60","53","6769","6772","10.1039/d4cc01964d","","","0.71073","MoKα","","0.0508","0.0418","","","0.1149","0.1233","","","","","","1.05","","","","has coordinates","292785","2024-07-05","13:19:19",""
"7133159","8.301","0.0001","11.0651","0.0001","18.7113","0.0002","90","","93.468","0.001","90","","1715.51","0.03","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O4 S -","- C19 H19 N O4 S -","- C76 H76 N4 O16 S4 -","4","1","","Li, Shuhui; Xu, Dan; Yao, Hui; Tan, Mengting; Li, Xiaoxuan; Liu, Mingguo; Wang, Long; Huang, Nianyu; Wang, Nengzhong","Facile synthesis of 2-vinylindolines <i>via</i> a phosphine-mediated α-umpolung/Wittig olefination/cyclization cascade process.","Chemical communications (Cambridge, England)","2024","60","53","6773","6776","10.1039/d4cc01851f","","x-ray","1.54184","CuKα","","0.0301","0.0297","","","0.077","0.0772","","","","","","1.033","","","","has coordinates","292782","2024-07-05","13:18:15",""
"7133160","9.2418","0.0001","19.5215","0.0003","14.0366","0.0002","90","","99.178","0.002","90","","2499.98","0.06","100","0.6","100","0.6","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 N O4 S2 -","- C27 H29 N O4 S2 -","- C108 H116 N4 O16 S8 -","4","1","","Li, Shuhui; Xu, Dan; Yao, Hui; Tan, Mengting; Li, Xiaoxuan; Liu, Mingguo; Wang, Long; Huang, Nianyu; Wang, Nengzhong","Facile synthesis of 2-vinylindolines <i>via</i> a phosphine-mediated α-umpolung/Wittig olefination/cyclization cascade process.","Chemical communications (Cambridge, England)","2024","60","53","6773","6776","10.1039/d4cc01851f","","x-ray","1.54184","CuKα","","0.0548","0.0453","","","0.1197","0.1248","","","","","","1.096","","","","has coordinates","292782","2024-07-05","13:18:17",""
"7133161","8.0093","0.0009","9.9303","0.001","13.0524","0.0006","92.274","0.006","107.728","0.008","106.033","0.01","941.63","0.17","99.97","0.15","99.97","0.15","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 N O5 S -","- C20 H21 N O5 S -","- C40 H42 N2 O10 S2 -","2","1","","Li, Shuhui; Xu, Dan; Yao, Hui; Tan, Mengting; Li, Xiaoxuan; Liu, Mingguo; Wang, Long; Huang, Nianyu; Wang, Nengzhong","Facile synthesis of 2-vinylindolines <i>via</i> a phosphine-mediated α-umpolung/Wittig olefination/cyclization cascade process.","Chemical communications (Cambridge, England)","2024","60","53","6773","6776","10.1039/d4cc01851f","","x-ray","1.54184","CuKα","","0.0908","0.0793","","","0.2277","0.2536","","","","","","1.162","","","","has coordinates","292782","2024-07-05","13:18:18",""
"7133162","23.2511","0.0005","6.0802","0.0007","18.4786","0.0009","90","","97.79","0.003","90","","2588.2","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 N2 O4 -","- C12 H18 N2 O4 -","- C96 H144 N16 O32 -","8","1","","Shi, Lin; Liu, Lidong; Lei, Xingyu; Wang, Yihan; Fang, Yeguang; Jiao, Peng","Dearomative pyrrole (3+2) reaction with geminal bromonitroalkane: synthesis of 2,3-dihydropyrroles.","Chemical communications (Cambridge, England)","2024","60","54","6953","6956","10.1039/d4cc01437e","","","1.54184","CuKα","","0.0434","0.0392","","","0.1039","0.107","","","","","","1.052","","","","has coordinates","292836","2024-07-05","13:39:45",""
"7133163","9.5021","0.0008","9.6751","0.0005","10.0293","0.0009","77.914","0.006","71.586","0.008","89.936","0.006","853.33","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C36 H44 N4 O8 -","2","1","","Shi, Lin; Liu, Lidong; Lei, Xingyu; Wang, Yihan; Fang, Yeguang; Jiao, Peng","Dearomative pyrrole (3+2) reaction with geminal bromonitroalkane: synthesis of 2,3-dihydropyrroles.","Chemical communications (Cambridge, England)","2024","60","54","6953","6956","10.1039/d4cc01437e","","","1.54184","CuKα","","0.0581","0.0439","","","0.1074","0.1147","","","","","","1.064","","","","has coordinates","292836","2024-07-05","13:39:46",""
"7133164","9.6012","0.0007","10.4718","0.0006","11.4984","0.0009","86.861","0.006","70.637","0.007","79.609","0.005","1072.78","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H29 N3 O5 -","- C22 H29 N3 O5 -","- C44 H58 N6 O10 -","2","1","","Shi, Lin; Liu, Lidong; Lei, Xingyu; Wang, Yihan; Fang, Yeguang; Jiao, Peng","Dearomative pyrrole (3+2) reaction with geminal bromonitroalkane: synthesis of 2,3-dihydropyrroles.","Chemical communications (Cambridge, England)","2024","60","54","6953","6956","10.1039/d4cc01437e","","","0.71073","MoKα","","0.0831","0.0622","","","0.1522","0.174","","","","","","1.041","","","","has coordinates","292836","2024-07-05","13:39:46",""
"7133165","15.1005","0.0018","9.909","0.001","11.5159","0.0015","90","","93.934","0.011","90","","1719.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N O4 -","- C18 H22 N2 O4 -","- C72 H88 N8 O16 -","4","1","","Shi, Lin; Liu, Lidong; Lei, Xingyu; Wang, Yihan; Fang, Yeguang; Jiao, Peng","Dearomative pyrrole (3+2) reaction with geminal bromonitroalkane: synthesis of 2,3-dihydropyrroles.","Chemical communications (Cambridge, England)","2024","60","54","6953","6956","10.1039/d4cc01437e","","","1.54184","CuKα","","0.0491","0.039","","","0.0949","0.1004","","","","","","1.05","","","","has coordinates","292836","2024-07-05","13:39:46",""
"7133166","36.971","0.006","11.0199","0.0018","21.471","0.004","90","","101.205","0.005","90","","8581","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H52 Bi2 F12 N4 Sb2 -","- C32 H52 Bi2 F12 N4 Sb2 -","- C256 H416 Bi16 F96 N32 Sb16 -","8","1","","Sen, Nilanjana; Sarkar, Pallavi; Meena, Yadram; Tothadi, Srinu; Pati, Swapan K.; Khan, Shabana","Synthesis and catalytic application of a donor-free bismuthenium cation.","Chemical communications (Cambridge, England)","2024","60","54","6877","6880","10.1039/d4cc01805b","","","0.71073","MoKα","","0.1317","0.1193","","","0.3342","0.3399","","","","","","2.557","","","","has coordinates","292832","2024-07-05","13:38:18",""
"7133167","8.0983","0.0001","17.5589","0.0001","27.1102","0.0002","90","","90.172","0.001","90","","3854.98","0.06","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C93 H88 Ce4 N4 -","- C93 H88 Ce4 N4 -","- C186 H176 Ce8 N8 -","2","0.5","","Gupta, Himanshu; Vincenzini, Brett D.; Bacon, Alexandra M.; Schelter, Eric J.","Assembly of a trapped valent Ce<sup>III/IV</sup>-TCNQ complex through metal-ligand redox cooperativity.","Chemical communications (Cambridge, England)","2024","60","54","6909","6912","10.1039/d4cc01478b","","x-ray","1.54184","CuKα","","0.0304","0.028","","","0.0739","0.0769","","","","","","1.036","","","","has coordinates,has disorder","292831","2024-07-05","13:38:05",""
"7133168","5.502","0.003","5.137","0.003","21.927","0.015","90","","97.045","0.016","90","","615.1","0.6","296","2","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Chen-20220829","","","- C7 H6 O2 -","- C7 H6 O2 -","- C28 H24 O8 -","4","1","","Sun, Hainan; Li, Lili; Chen, Yahui; Kim, Yong Beom; Kim, Hyunseung; Fei, Liangshuang; Shao, Zongping; Jung, WooChul","Crystal structure optimization of copper oxides for the benzyl alcohol oxidation reaction.","Chemical communications (Cambridge, England)","2024","60","56","7224","7227","10.1039/d4cc01751j","","","0.71073","MoKα","","0.213","0.0834","","","0.183","0.2237","","","","","","0.91","","","","has coordinates","293683","2024-08-05","17:22:04",""
"7133169","10.502","0.003","11.537","0.004","19.141","0.006","96.877","0.012","98.17","0.012","99.193","0.011","2241.9","1.2","140","2","140","2","","","","","","","","3","P -1","-P 1","2","","","","- C54 H53 N3 -","- C54 H53 N3 -","- C108 H106 N6 -","2","1","","Naniyil, Athira; Koroth Valappil, Naveen; Andrews, Alex P.; Gokulnath, Sabapathi","Carbazole-embedded <i>p</i>-benziporphyrinoid: synthesis, structure and a reversible chemodosimeter for mercury(II) ions.","Chemical communications (Cambridge, England)","2024","60","54","6957","6960","10.1039/d4cc02281e","","","0.71073","MoKα","","0.1869","0.0753","","","0.1764","0.2343","","","","","","1.014","","","","has coordinates","292837","2024-07-05","13:40:08",""
"7133170","43.456","0.01","43.456","0.01","14.847","0.004","90","","90","","120","","24281","10","140","2","140","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C56 H54 Cl7 Hg N3 -","- C56 H54 Cl7 Hg N3 -","- C1008 H972 Cl126 Hg18 N54 -","18","1","","Naniyil, Athira; Koroth Valappil, Naveen; Andrews, Alex P.; Gokulnath, Sabapathi","Carbazole-embedded <i>p</i>-benziporphyrinoid: synthesis, structure and a reversible chemodosimeter for mercury(II) ions.","Chemical communications (Cambridge, England)","2024","60","54","6957","6960","10.1039/d4cc02281e","","","0.71073","MoKα","","0.2334","0.0926","","","0.2415","0.3426","","","","","","1.009","","","","has coordinates,has disorder","292837","2024-07-05","13:40:09",""
"7133171","13.0228","0.0018","16.875","0.003","18.996","0.002","76.362","0.005","79.196","0.005","70.713","0.004","3801.7","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H53 Au N4 Si -","- C38 H53 Au N4 Si -","- C152 H212 Au4 N16 Si4 -","4","2","","Bakhoda, Abolghasem 'Gus'","Gold(I)-catalyzed homologation of aryl aldehydes with trimethylsilyldiazomethane.","Chemical communications (Cambridge, England)","2024","60","54","6937","6940","10.1039/d4cc01809e","","","0.71073","MoKα","","0.021","0.0172","","","0.0372","0.0384","","","","","","1.046","","","","has coordinates","292835","2024-07-05","13:39:31",""
"7133172","14.354","0.0006","18.2341","0.0006","23.2636","0.001","110.586","0.003","101.322","0.003","93.081","0.003","5538.9","0.4","175","2","175","","","","","","","","","4","P -1","-P 1","2","","","","- C116.94 H127.44 Cl8.84 N12 -","- C117.979 H126.689 Cl8.844 N12 -","- C235.958 H253.378 Cl17.688 N24 -","2","1","","Heim, Gavin P.; Hirahara, Masanari; Dev, Vidhya M.; Agapie, Theodor","Synthesis and electronic properties of nitrogen-rich nanographene.","Chemical communications (Cambridge, England)","2024","60","57","7343","7346","10.1039/d4cc01189a","","","1.54178","CuKα","","0.0992","0.0713","","","0.192","0.2197","","","","","","1.042","","","","has coordinates,has disorder","293699","2024-08-05","17:28:49",""
"7133173","10.0014","0.0003","17.1635","0.0005","28.5541","0.0009","90","","90","","90","","4901.6","0.3","170","","170","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H47 Ir P2 -","- C25 H47 Ir P2 -","- C200 H376 Ir8 P16 -","8","1","","Demchuk, Mitchell J.; Zurakowski, Joseph A.; Drover, Marcus W.","Tridentate κ<sup>3</sup>-<i>P</i>,<i>P</i>,<i>C</i> iridium complexes: influence of ligand saturation on intramolecular C-H bond activation.","Chemical communications (Cambridge, England)","2024","60","59","7566","7569","10.1039/d4cc01435a","","","0.71073","MoKα","","0.0238","0.0204","","","0.0445","0.0465","","","","","","1.149","","","","has coordinates","293713","2024-08-05","17:34:19",""
"7133174","10.405","0.009","18.494","0.013","13.748","0.01","90","","109.51","0.03","90","","2494","3","110","","110","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H47 Ir P2 -","- C25 H47 Ir P2 -","- C100 H188 Ir4 P8 -","4","1","","Demchuk, Mitchell J.; Zurakowski, Joseph A.; Drover, Marcus W.","Tridentate κ<sup>3</sup>-<i>P</i>,<i>P</i>,<i>C</i> iridium complexes: influence of ligand saturation on intramolecular C-H bond activation.","Chemical communications (Cambridge, England)","2024","60","59","7566","7569","10.1039/d4cc01435a","","","0.71073","MoKα","","0.0658","0.0384","","","0.0812","0.0914","","","","","","1.034","","","","has coordinates","293713","2024-08-05","17:34:22",""
"7133175","17.8681","0.0005","14.8775","0.0004","38.003","0.001","90","","90","","90","","10102.4","0.5","170","","170","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H49 Ir P2 -","- C25 H49 Ir P2 -","- C400 H784 Ir16 P32 -","16","2","","Demchuk, Mitchell J.; Zurakowski, Joseph A.; Drover, Marcus W.","Tridentate κ<sup>3</sup>-<i>P</i>,<i>P</i>,<i>C</i> iridium complexes: influence of ligand saturation on intramolecular C-H bond activation.","Chemical communications (Cambridge, England)","2024","60","59","7566","7569","10.1039/d4cc01435a","","","0.71073","MoKα","","0.0716","0.054","","","0.109","0.1191","","","","","","1.207","","","","has coordinates,has disorder","293713","2024-08-05","17:34:22",""
"7133176","10.0074","0.0007","7.0673","0.0005","9.5009","0.0006","90","","90","","90","","671.95","0.08","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H8 Cl F2 N -","- C5 H8 Cl F2 N -","- C20 H32 Cl4 F8 N4 -","4","0.5","","Charlesworth, Natalie G.; Arunprasath, Dhanarajan; Graham, Mark A.; Argent, Stephen P.; Datsenko, Oleksandr P.; Mykhailiuk, Pavel K.; Denton, Ross M.","Modular synthesis of cyclic β-difluoroamines.","Chemical communications (Cambridge, England)","2024","60","60","7701","7704","10.1039/d4cc00640b","","x-ray","1.54184","CuKα","","0.0331","0.0318","","","0.0811","0.0819","","","","","","1.084","","","","has coordinates,has disorder","293710","2024-08-05","17:32:47",""
"7133177","19.9766","0.0015","15.8235","0.0011","15.6346","0.0012","90","","93.935","0.003","90","","4930.4","0.6","295","2","295.11","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H28 N0 O4 -","- C29 H28 O4 -","- C232 H224 O32 -","8","1","","Ren, Yue; Shi, Wangyu; Tang, Yi; Guo, Hongchao","Phosphine-catalyzed (3+3) annulation of cinnamaldehyde-derived Morita-Baylis-Hillman carbonates with dinucleophiles.","Chemical communications (Cambridge, England)","2024","60","54","6897","6900","10.1039/d4cc01989j","","","0.71073","MoKα","","0.0857","0.0581","","","0.1433","0.1597","","","","","","1.034","","","","has coordinates","292839","2024-07-05","13:40:40",""
"7133178","11.6492","0.0005","7.4491","0.0003","22.0277","0.0009","90","","97.248","0.001","90","","1896.2","0.14","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 O5 -","- C23 H18 N2 O5 -","- C92 H72 N8 O20 -","4","1","","He, Yongjun; He, Tian-Juan; Cheng, Xiufang; Wei, Yibo; Wang, Huamin; Lin, Ying-Wu","Phosphine-catalyzed dearomative [3+2] cycloaddition of 4-nitroisoxazoles with allenoates or Morita-Baylis-Hillman carbonates.","Chemical communications (Cambridge, England)","2024","60","54","6961","6964","10.1039/d4cc02231a","","","1.34139","GaKα","","0.0448","0.0421","","","0.115","0.1172","","","","","","1.029","","","","has coordinates","292840","2024-07-05","13:40:52",""
"7133179","13.0981","0.0005","11.5834","0.0004","10.0872","0.0004","90","","100.284","0.001","90","","1505.85","0.1","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N4 O5 S -","- C15 H12 N4 O5 S -","- C60 H48 N16 O20 S4 -","4","1","","He, Yongjun; He, Tian-Juan; Cheng, Xiufang; Wei, Yibo; Wang, Huamin; Lin, Ying-Wu","Phosphine-catalyzed dearomative [3+2] cycloaddition of 4-nitroisoxazoles with allenoates or Morita-Baylis-Hillman carbonates.","Chemical communications (Cambridge, England)","2024","60","54","6961","6964","10.1039/d4cc02231a","","","1.34139","GaKα","","0.0373","0.0361","","","0.0961","0.0969","","","","","","1.096","","","","has coordinates","292840","2024-07-05","13:40:52",""
"7133180","16.206","0.004","14.988","0.003","26.246","0.005","90","","99.955","0.006","90","","6279","2","113","2","113.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H39 B O2 Si -","- C37 H39 B O2 Si -","- C296 H312 B8 O16 Si8 -","8","1","","Fujii, Ikuya; Hirata, Haruka; Moniwa, Hirokazu; Shintani, Ryo","Synthesis of (1-silyl)allylboronates by KO<i>t</i>Bu-catalyzed ring-opening <i>gem</i>-silylborylation of cyclopropenes.","Chemical communications (Cambridge, England)","2024","60","54","6921","6924","10.1039/d4cc01336k","","","0.71075","MoKα","","0.0566","0.0427","","","0.1058","0.1112","","","","","","1.0505","","","","has coordinates,has disorder","292833","2024-07-05","13:38:46",""
"7133181","10.4305","0.0011","10.4775","0.0009","14.5388","0.0015","78.486","0.004","83.946","0.004","71.492","0.003","1474.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","DP-2-56 Cr(p-tol)(POCOP)","[POCOP]Cr(p-tol)","","- C29 H46 Cr O2 P2 -","- C29 H46 Cr O2 P2 -","- C58 H92 Cr2 O4 P4 -","2","1","","Duletski, Olivia L.; Platz, Duncan; Pollock, Charlie J.; Mosquera, Martín A; Arulsamy, Navamoney; Mock, Michael T.","Dinitrogen activation at chromium by photochemically induced Cr<sup>II</sup>-C bond homolysis.","Chemical communications (Cambridge, England)","2024","60","55","7029","7032","10.1039/d4cc02387k","","","0.71073","MoKα","","0.0572","0.0476","","","0.1135","0.1183","","","","","","1.083","","","","has coordinates","293671","2024-08-05","17:17:43",""
"7133182","8.2502","0.0002","15.8605","0.0005","11.8231","0.0004","90","","106.188","0.001","90","","1485.74","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","[POCOP]Cr(Bn)","","- C29 H46 Cr O2 P2 -","- C29 H46 Cr O2 P2 -","- C58 H92 Cr2 O4 P4 -","2","1","","Duletski, Olivia L.; Platz, Duncan; Pollock, Charlie J.; Mosquera, Martín A; Arulsamy, Navamoney; Mock, Michael T.","Dinitrogen activation at chromium by photochemically induced Cr<sup>II</sup>-C bond homolysis.","Chemical communications (Cambridge, England)","2024","60","55","7029","7032","10.1039/d4cc02387k","","","0.71073","MoKα","","0.0386","0.0318","","","0.0681","0.0715","","","","","","1.026","","","","has coordinates","293671","2024-08-05","17:17:44",""
"7133183","15.7583","0.0016","14.4111","0.0013","24.856","0.002","90","","107.974","0.004","90","","5369.2","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","OD-4-94 POCOPCrN2","{[POCOP]Cr}2(μ-N2)","","- C46 H83 Cr2 N2 O4.5 P4 -","- C44 H78 Cr2 N2 O4 P4 -","- C176 H312 Cr8 N8 O16 P16 -","4","1","","Duletski, Olivia L.; Platz, Duncan; Pollock, Charlie J.; Mosquera, Martín A; Arulsamy, Navamoney; Mock, Michael T.","Dinitrogen activation at chromium by photochemically induced Cr<sup>II</sup>-C bond homolysis.","Chemical communications (Cambridge, England)","2024","60","55","7029","7032","10.1039/d4cc02387k","","","0.71073","MoKα","","0.0746","0.0654","","","0.1668","0.1731","","","","","","1.053","","","","has coordinates","293671","2024-08-05","17:17:44",""
"7133184","6.9055","0.0004","21.4299","0.0011","27.6189","0.0015","90","","92.031","0.002","90","","4084.6","0.4","100","0.2","100","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H21 N O4 -","- C26 H21 N O4 -","- C208 H168 N8 O32 -","8","4","","Wang, Tao; Lu, Zhongyue; Li, Pengfei","Catalyst-free reaction of 2-(4<i>H</i>-benzo[<i>d</i>][1,3]oxazin-4-yl)acrylates: synthesis of 1,2-dihydroquinolines and 2,3-dihydropyrroles.","Chemical communications (Cambridge, England)","2024","60","54","6933","6936","10.1039/d4cc02156h","","x-ray","1.34139","GaKα","","0.0899","0.0753","","","0.2086","0.2168","","","","","","1.043","","","","has coordinates","292838","2024-07-05","13:40:24",""
"7133185","9.6896","0.0005","10.1998","0.0005","10.8323","0.0006","89.99","0.002","71.675","0.002","84.875","0.002","1011.78","0.09","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 Cl N2 O3 -","- C24 H21 Cl N2 O3 -","- C48 H42 Cl2 N4 O6 -","2","1","","Wang, Tao; Lu, Zhongyue; Li, Pengfei","Catalyst-free reaction of 2-(4<i>H</i>-benzo[<i>d</i>][1,3]oxazin-4-yl)acrylates: synthesis of 1,2-dihydroquinolines and 2,3-dihydropyrroles.","Chemical communications (Cambridge, England)","2024","60","54","6933","6936","10.1039/d4cc02156h","","x-ray","1.54178","CuKα","","0.0295","0.0291","","","0.074","0.0743","","","","","","1.042","","","","has coordinates","292838","2024-07-05","13:40:24",""
"7133186","11.847","0.0007","18.1061","0.001","13.0266","0.0007","90","","95.964","0.002","90","","2779.1","0.3","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 N2 O3 -","- C34 H30 N2 O3 -","- C136 H120 N8 O12 -","4","1","","Wang, Tao; Lu, Zhongyue; Li, Pengfei","Catalyst-free reaction of 2-(4<i>H</i>-benzo[<i>d</i>][1,3]oxazin-4-yl)acrylates: synthesis of 1,2-dihydroquinolines and 2,3-dihydropyrroles.","Chemical communications (Cambridge, England)","2024","60","54","6933","6936","10.1039/d4cc02156h","","x-ray","1.34138","GaKα","","0.04","0.0368","","","0.0953","0.0969","","","","","","1.04","","","","has coordinates","292838","2024-07-05","13:40:25",""
"7133187","9.9227","0.0007","5.672","0.0005","16.1656","0.0012","90","","99.498","0.006","90","","897.35","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2<i>H</i>,4<i>H</i>- 2,2-Dimethyl-4-hydroxy-benzo[<i>b</i>]-1,4-oxazin-3-one","","- C10 H11 N O3 -","- C10 H11 N O3 -","- C40 H44 N4 O12 -","4","1","","Winter, Johannes; Lühr, Susan; Hochadel, Kyra; Gálvez-Vázquez, María de Jesús; Prenzel, Tobias; Schollmeyer, Dieter; Waldvogel, Siegfried R.","Simple electrochemical synthesis of cyclic hydroxamic acids by reduction of nitroarenes.","Chemical communications (Cambridge, England)","2024","60","55","7065","7068","10.1039/d4cc02118e","","","0.71073","MoKα","","0.0455","0.0374","","","0.0921","0.0991","","","","","","1.074","","","","has coordinates","293673","2024-08-05","17:18:12",""
"7133188","12.3241","0.0018","33.684","0.006","20.229","0.003","90","","96.013","0.004","90","","8351","2","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C81 H106 N2 O18 -","- C81 H106 N2 O18 -","- C324 H424 N8 O72 -","4","1","","Li, Bin; Wang, Yun; Wang, Yuan; Liu, Yue; Wang, Lu; Zhang, Zhi-Yuan; Li, Chunju","Vapochromic separation of toluene and pyridine azeotropes using adaptive macrocycle co-crystals.","Chemical communications (Cambridge, England)","2024","60","54","6889","6892","10.1039/d4cc01246a","","","0.71073","MoKα","","0.1246","0.0616","","","0.1419","0.175","","","","","","1.013","","","","has coordinates,has disorder","292830","2024-07-05","13:37:49",""
"7133189","12.08","0.0005","12.4509","0.0005","29.1324","0.0011","94.272","0.002","92.465","0.002","106.74","0.002","4174.8","0.3","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C93 H110 N6 O14 -","- C93.0002 H110 N6 O14 -","- C186 H220 N12 O28 -","2","1","","Li, Bin; Wang, Yun; Wang, Yuan; Liu, Yue; Wang, Lu; Zhang, Zhi-Yuan; Li, Chunju","Vapochromic separation of toluene and pyridine azeotropes using adaptive macrocycle co-crystals.","Chemical communications (Cambridge, England)","2024","60","54","6889","6892","10.1039/d4cc01246a","","","1.34139","GaKα","","0.1358","0.0871","","","0.2471","0.2856","","","","","","1.179","","","","has coordinates,has disorder","292830","2024-07-05","13:37:50",""
"7133190","9.5346","0.0008","13.1604","0.0012","18.8315","0.0015","91.84","0.003","90.463","0.003","91.367","0.003","2361","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H76 Fe N2 O2 -","- C52 H76 Fe N2 O2 -","- C104 H152 Fe2 N4 O4 -","2","1","","Kulathungage, Lakshani W.; Kurup, Sudheer S.; Browne, Edison A.; Spalink, Gabriel H.; Ward, Cassandra L.; Lord, Richard L.; Groysman, Stanislav","Efficient carbene transfer reactivity mediated by Fe(II) complexes supported by bulky alkoxides.","Chemical communications (Cambridge, England)","2024","60","55","7033","7036","10.1039/d4cc02108h","","","0.71073","MoKα","","0.2119","0.1598","","","0.3966","0.4283","","","","","","1.435","","","","has coordinates","293672","2024-08-05","17:18:03",""
"7133191","10.323","0.0007","19.0774","0.0014","8.7024","0.0005","90","","114.576","0.002","90","","1558.56","0.18","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H28 O8 -","- C37 H28 O8 -","- C74 H56 O16 -","2","0.5","","Kulathungage, Lakshani W.; Kurup, Sudheer S.; Browne, Edison A.; Spalink, Gabriel H.; Ward, Cassandra L.; Lord, Richard L.; Groysman, Stanislav","Efficient carbene transfer reactivity mediated by Fe(II) complexes supported by bulky alkoxides.","Chemical communications (Cambridge, England)","2024","60","55","7033","7036","10.1039/d4cc02108h","","","0.71073","MoKα","","0.0625","0.046","","","0.1178","0.1325","","","","","","1.035","","","","has coordinates,has disorder","293672","2024-08-05","17:18:03",""
"7133192","5.006","0.0004","7.2628","0.0008","8.6451","0.0008","106.71","0.004","102.405","0.003","92.116","0.003","292.37","0.05","110","2","110.15","","","","","","","","","3","P -1","-P 1","2","","","","- C5 H6 O4 -","- C5 H6 O4 -","- C10 H12 O8 -","2","1","","Kulathungage, Lakshani W.; Kurup, Sudheer S.; Browne, Edison A.; Spalink, Gabriel H.; Ward, Cassandra L.; Lord, Richard L.; Groysman, Stanislav","Efficient carbene transfer reactivity mediated by Fe(II) complexes supported by bulky alkoxides.","Chemical communications (Cambridge, England)","2024","60","55","7033","7036","10.1039/d4cc02108h","","","0.71073","MoKα","","0.0616","0.0417","","","0.0996","0.1077","","","","","","1.0019","","","","has coordinates","293672","2024-08-05","17:18:03",""
"7133193","8.30726","0.00014","15.0654","0.00019","15.9963","0.0002","70.9877","0.0012","84.8936","0.0013","79.8892","0.0012","1862.28","0.05","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C26.9 H40.71 Cl6.1 Ga2 N4 O P Pt -","- C26.903 H40.709 Cl6.097 Ga2 N4 O P Pt -","- C53.806 H81.418 Cl12.194 Ga4 N8 O2 P2 Pt2 -","2","1","","Govindarajan, R.; Vardhanapu, Pavan K.; Fayzullin, Robert R.; Khaskin, Eugene; Khusnutdinova, Julia R.","Facile methyl group transfer from Pt<sup>II</sup> to gallium and indium.","Chemical communications (Cambridge, England)","2024","60","56","7216","7219","10.1039/d4cc02112f","","x-ray","1.54184","CuKα","","0.0375","0.0347","","","0.0927","0.0945","","","","","","1.089","","","","has coordinates,has disorder","293681","2024-08-05","17:21:29",""
"7133194","8.88651","0.00018","12.2296","0.0002","35.1991","0.0006","90","","93.5845","0.0018","90","","3817.9","0.12","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C27 H41 Cl6 In2 N4 O P Pt -","- C27 H41 Cl6 In2 N4 O P Pt -","- C108 H164 Cl24 In8 N16 O4 P4 Pt4 -","4","1","","Govindarajan, R.; Vardhanapu, Pavan K.; Fayzullin, Robert R.; Khaskin, Eugene; Khusnutdinova, Julia R.","Facile methyl group transfer from Pt<sup>II</sup> to gallium and indium.","Chemical communications (Cambridge, England)","2024","60","56","7216","7219","10.1039/d4cc02112f","","x-ray","0.71073","MoKα","","0.0706","0.056","","","0.1126","0.1165","","","","","","1.13","","","","has coordinates,has disorder","293681","2024-08-05","17:21:29",""
"7133195","8.71612","0.00017","14.4778","0.0002","17.6581","0.0004","65.9038","0.0018","81.2608","0.0016","73.8299","0.0016","1951.78","0.07","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C28.77 H41.3 Cl6.23 In2 N4 O P Pt -","- C28.767 H41.301 Cl6.233 In2 N4 O P Pt -","- C57.534 H82.602 Cl12.466 In4 N8 O2 P2 Pt2 -","2","1","","Govindarajan, R.; Vardhanapu, Pavan K.; Fayzullin, Robert R.; Khaskin, Eugene; Khusnutdinova, Julia R.","Facile methyl group transfer from Pt<sup>II</sup> to gallium and indium.","Chemical communications (Cambridge, England)","2024","60","56","7216","7219","10.1039/d4cc02112f","","x-ray","0.71073","MoKα","","0.0401","0.0297","","","0.064","0.0669","","","","","","1.038","","","","has coordinates,has disorder","293681","2024-08-05","17:21:29",""
"7133196","9.2305","0.0005","9.3886","0.0006","15.0613","0.0006","83.016","0.004","81.79","0.004","62.191","0.006","1140.4","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 N O2 P -","- C28 H22 N O2 P -","- C56 H44 N2 O4 P2 -","2","1","","Liu, Yong; Jia, Mengying; Wang, Guodong; Yang, Wenhui; Xu, Xianxiu","Silver-catalyzed P-centered anion nucleophilic addition to isocyanide: access to 2-phosphinoyl indoles/indol-3-ols.","Chemical communications (Cambridge, England)","2024","60","56","7196","7199","10.1039/d4cc01984a","","x-ray","1.54184","CuKα","","0.0514","0.0416","","","0.1035","0.1106","","","","","","1.054","","","","has coordinates","293687","2024-08-05","17:23:27",""
"7133197","10.1021","0.0009","10.6285","0.0009","12.0861","0.001","95.272","0.007","112.661","0.008","92.657","0.007","1187.71","0.19","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 N O3 P -","- C29 H24 N O3 P -","- C58 H48 N2 O6 P2 -","2","1","","Liu, Yong; Jia, Mengying; Wang, Guodong; Yang, Wenhui; Xu, Xianxiu","Silver-catalyzed P-centered anion nucleophilic addition to isocyanide: access to 2-phosphinoyl indoles/indol-3-ols.","Chemical communications (Cambridge, England)","2024","60","56","7196","7199","10.1039/d4cc01984a","","x-ray","1.54184","CuKα","","0.0751","0.0485","","","0.1101","0.1253","","","","","","1.011","","","","has coordinates","293687","2024-08-05","17:23:28",""
"7133198","9.9338","0.0007","11.4115","0.0006","13.4261","0.0009","91.104","0.005","99.247","0.006","107.898","0.005","1425.68","0.17","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C29.6 H25.2 Cl1.2 N O3 P -","- C29.6 H25.2 Cl1.2 N O3 P -","- C59.2 H50.4 Cl2.4 N2 O6 P2 -","2","1","","Liu, Yong; Jia, Mengying; Wang, Guodong; Yang, Wenhui; Xu, Xianxiu","Silver-catalyzed P-centered anion nucleophilic addition to isocyanide: access to 2-phosphinoyl indoles/indol-3-ols.","Chemical communications (Cambridge, England)","2024","60","56","7196","7199","10.1039/d4cc01984a","","x-ray","1.54184","CuKα","","0.0815","0.0677","","","0.1921","0.2079","","","","","","1.054","","","","has coordinates,has disorder","293687","2024-08-05","17:23:28",""
"7133199","10.581","0.003","10.781","0.003","20.524","0.006","88.303","0.009","85.635","0.009","63.604","0.008","2091.1","1","197","","197","","","","","","","","","5","P -1","-P 1","2","","sidharth","","- C46 H41 N2 O8 S2 -","- C46 H41 N2 O8 S2 -","- C92 H82 N4 O16 S4 -","2","1","","Bhati, Kuldeep Singh; Sharma, Siddharth","Electrochemically-driven difunctionalization of the isocyanide and Mumm rearrangement cascade: expeditious synthesis of <i>N</i>-acyl-<i>N</i>-alkyl <i>S</i>-thiocarbamates.","Chemical communications (Cambridge, England)","2024","60","57","7355","7358","10.1039/d4cc02287d","","","0.71073","MoKα","","0.0777","0.0755","","","0.2189","0.2217","","","","","","1.132","","","","has coordinates","293698","2024-08-05","17:28:36",""
"7133200","16.652","0.003","14.997","0.002","21.13","0.003","90","","90","","90","","5276.8","1.4","296","1","296","1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H19 Cl F6 N2 O4 -","- C26 H19 Cl F6 N2 O4 -","- C208 H152 Cl8 F48 N16 O32 -","8","1","","Tang, Yong-Xing; Zhou, You; Wu, Hao-Xuan; Wang, Li-Sheng; Wu, Chun-Yan; Zhuang, Shi-Yi; Wu, An-Xin","<i>N</i>-Benzylhydroxylamine as a novel synthetic block in ""C1N1"" embedding reaction <i>via</i> α-C(sp<sup>3</sup>)-H activation strategy.","Chemical communications (Cambridge, England)","2024","60","56","7180","7183","10.1039/d4cc02105c","","","0.71073","MoKα","","0.0825","0.0611","","","0.1581","0.1894","","","","","","1.051","","","","has coordinates,has disorder","293685","2024-08-05","17:22:58",""
"7133201","12.719","0.003","13.852","0.003","14.156","0.004","90","","97.096","0.004","90","","2475","1.1","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C120 H104 N8 O16 -","8","1","","Tang, Yong-Xing; Zhou, You; Wu, Hao-Xuan; Wang, Li-Sheng; Wu, Chun-Yan; Zhuang, Shi-Yi; Wu, An-Xin","<i>N</i>-Benzylhydroxylamine as a novel synthetic block in ""C1N1"" embedding reaction <i>via</i> α-C(sp<sup>3</sup>)-H activation strategy.","Chemical communications (Cambridge, England)","2024","60","56","7180","7183","10.1039/d4cc02105c","","","0.71073","MoKα","","0.0757","0.049","","","0.1294","0.147","","","","","","1.024","","","","has coordinates","293685","2024-08-05","17:22:59",""
"7133202","16.51047","0.0001","16.41081","0.0001","23.08005","0.00014","90","","90","","90","","6253.54","0.07","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","9-phosphatriptycene oxide hemihydrate","9-phosphatriptycene oxide hemihydrate","","- C38 H28 O3 P2 -","- C38.0076 H28.0052 O3.0004 P2.0004 -","- C304.061 H224.042 O24.0032 P16.0032 -","8","1","","Hu, Lei; Chakraborty, Sayandip; Tumanov, Nikolay; Wouters, Johan; Robiette, Raphaël; Berionni, Guillaume","Regulating iminophosphorane PN bond reactivity through geometric constraints with cage-shaped triarylphosphines.","Chemical communications (Cambridge, England)","2024","60","55","7073","7076","10.1039/d4cc01868k","","","1.54184","CuKα","","0.0354","0.0337","","","0.0947","0.0967","","","","","","1.068","","","","has coordinates,has disorder","293669","2024-08-05","17:16:44",""
"7133203","14.248","0.0003","13.5359","0.0003","15.8127","0.0003","90","","90.772","0.001","90","","3049.35","0.11","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","phosphatriptycene sulfide","phosphatriptycene sulfide","","- C19 H13 P S -","- C19 H13 P S -","- C152 H104 P8 S8 -","8","1","","Hu, Lei; Chakraborty, Sayandip; Tumanov, Nikolay; Wouters, Johan; Robiette, Raphaël; Berionni, Guillaume","Regulating iminophosphorane PN bond reactivity through geometric constraints with cage-shaped triarylphosphines.","Chemical communications (Cambridge, England)","2024","60","55","7073","7076","10.1039/d4cc01868k","","","1.54178","CuKα","","0.0386","0.0338","","","0.088","0.0934","","","","","","1.076","","","","has coordinates","293669","2024-08-05","17:16:50",""
"7133204","17.3159","0.00019","9.40206","0.0001","12.4887","0.00013","90","","90","","90","","2033.22","0.04","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","N-(10H-5λ^5^-5,10-[1,2]benzenoacridophosphin-5-ylidene)pivalamide","N-(10H-5λ^5^-5,10-[1,2]benzenoacridophosphin-5-ylidene)pivalamide","","- C24 H22 N O P -","- C24 H22 N O P -","- C96 H88 N4 O4 P4 -","4","1","","Hu, Lei; Chakraborty, Sayandip; Tumanov, Nikolay; Wouters, Johan; Robiette, Raphaël; Berionni, Guillaume","Regulating iminophosphorane PN bond reactivity through geometric constraints with cage-shaped triarylphosphines.","Chemical communications (Cambridge, England)","2024","60","55","7073","7076","10.1039/d4cc01868k","","","1.54184","CuKα","","0.0363","0.0348","","","0.0953","0.0978","","","","","","1.057","","","","has coordinates","293669","2024-08-05","17:16:50",""
"7133205","14.1963","0.0006","13.7375","0.0006","15.8281","0.0007","90","","90.897","0.001","90","","3086.4","0.2","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","9-phosphatriptycene selenide","9-phosphatriptycene selenide","","- C19 H13 P Se -","- C19 H13 P Se -","- C152 H104 P8 Se8 -","8","1","","Hu, Lei; Chakraborty, Sayandip; Tumanov, Nikolay; Wouters, Johan; Robiette, Raphaël; Berionni, Guillaume","Regulating iminophosphorane PN bond reactivity through geometric constraints with cage-shaped triarylphosphines.","Chemical communications (Cambridge, England)","2024","60","55","7073","7076","10.1039/d4cc01868k","","","0.56086","AgKα","","0.0428","0.0385","","","0.0964","0.1038","","","","","","1.088","","","","has coordinates","293669","2024-08-05","17:16:50",""
"7133206","8.19512","0.00014","13.942","0.0002","19.4641","0.0003","90","","99.7093","0.0016","90","","2192.04","0.06","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","N-(10H-5l5-5,10-[1,2]benzenoacridophosphin-5-ylidene)-4- methylbenzenesulfonamide","N-(10H-5l5-5,10-[1,2]benzenoacridophosphin-5-ylidene)-4- methylbenzenesulfonamide","","- C26 H20 N O2 P S -","- C26 H20 N O2 P S -","- C104 H80 N4 O8 P4 S4 -","4","1","","Hu, Lei; Chakraborty, Sayandip; Tumanov, Nikolay; Wouters, Johan; Robiette, Raphaël; Berionni, Guillaume","Regulating iminophosphorane PN bond reactivity through geometric constraints with cage-shaped triarylphosphines.","Chemical communications (Cambridge, England)","2024","60","55","7073","7076","10.1039/d4cc01868k","","","1.54184","CuKα","","0.067","0.0632","","","0.1784","0.1828","","","","","","1.092","","","","has coordinates","293669","2024-08-05","17:16:50",""
"7133207","9.31097","0.00012","12.97197","0.00017","24.0692","0.0005","90","","90","","90","","2907.12","0.08","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","N-(10H-5λ^5^-5,10-[1,2]benzenoacridophosphin-5-ylidene)- 2,4,6-triisopropylbenzenesulfonamide","N-(10H-5λ^5^-5,10-[1,2]benzenoacridophosphin-5-ylidene)- 2,4,6-triisopropylbenzenesulfonamide","","- C34 H36 N O2 P S -","- C34 H36 N O2 P S -","- C136 H144 N4 O8 P4 S4 -","4","1","","Hu, Lei; Chakraborty, Sayandip; Tumanov, Nikolay; Wouters, Johan; Robiette, Raphaël; Berionni, Guillaume","Regulating iminophosphorane PN bond reactivity through geometric constraints with cage-shaped triarylphosphines.","Chemical communications (Cambridge, England)","2024","60","55","7073","7076","10.1039/d4cc01868k","","","0.71073","MoKα","","0.0523","0.0406","","","0.0901","0.0963","","","","","","1.019","","","","has coordinates,has disorder","293669","2024-08-05","17:16:50",""
"7133208","12.867","0.004","13.069","0.004","21.505","0.006","90","","90","","90","","3616.3","1.9","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","N-(p-tritylphenyl)-9-phosphatriptycene-iminium tetrafluoroborate","N-(p-tritylphenyl)-9-phosphatriptycene-iminium tetrafluoroborate","","- C44 H33 B F4 N P -","- C44 H33 B F4 N P -","- C176 H132 B4 F16 N4 P4 -","4","1","","Hu, Lei; Chakraborty, Sayandip; Tumanov, Nikolay; Wouters, Johan; Robiette, Raphaël; Berionni, Guillaume","Regulating iminophosphorane PN bond reactivity through geometric constraints with cage-shaped triarylphosphines.","Chemical communications (Cambridge, England)","2024","60","55","7073","7076","10.1039/d4cc01868k","","","1.54178","CuKα","","0.1643","0.0792","","","0.1704","0.2302","","","","","","1.044","","","","has coordinates","293669","2024-08-05","17:16:50",""
"7133209","9.5904","0.0002","16.0488","0.0003","14.2154","0.0003","90","","101.406","0.001","90","","2144.74","0.08","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","9-phosphatriptycene-N-phenyl imine trifluoroborane complex dichloromethane semisolvate","N-phenyl-5gamma^5^-5,10-[1,2]benzenoacridophosphin-5(10H)-imine trifluoroborane complex dichloromethane semisolvate","","- C25.5 H19 B Cl F3 N P -","- C25.5 H19 B Cl F3 N P -","- C102 H76 B4 Cl4 F12 N4 P4 -","4","1","","Hu, Lei; Chakraborty, Sayandip; Tumanov, Nikolay; Wouters, Johan; Robiette, Raphaël; Berionni, Guillaume","Regulating iminophosphorane PN bond reactivity through geometric constraints with cage-shaped triarylphosphines.","Chemical communications (Cambridge, England)","2024","60","55","7073","7076","10.1039/d4cc01868k","","","1.54178","CuKα","","0.0459","0.0449","","","0.1148","0.1154","","","","","","1.127","","","","has coordinates,has disorder","293669","2024-08-05","17:16:50",""
"7133210","11.81181","0.00013","19.91502","0.00017","11.98573","0.00013","90","","118.939","0.0015","90","","2467.38","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","diphenyl (10H-5l5-5,10-[1,2]benzenoacridophosphin-5-ylidene)phosphoramidate","diphenyl (10H-5l5-5,10-[1,2]benzenoacridophosphin-5-ylidene)phosphoramidate","","- C31 H23 N O3 P2 -","- C31 H23 N O3 P2 -","- C124 H92 N4 O12 P8 -","4","1","","Hu, Lei; Chakraborty, Sayandip; Tumanov, Nikolay; Wouters, Johan; Robiette, Raphaël; Berionni, Guillaume","Regulating iminophosphorane PN bond reactivity through geometric constraints with cage-shaped triarylphosphines.","Chemical communications (Cambridge, England)","2024","60","55","7073","7076","10.1039/d4cc01868k","","","1.54184","CuKα","","0.0342","0.0316","","","0.0812","0.0834","","","","","","1.009","","","","has coordinates,has disorder","293669","2024-08-05","17:16:50",""
"7133211","16.3712","0.0002","16.281","0.0002","22.9501","0.0003","90","","90","","90","","6117.11","0.13","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","9-phosphatriptycene oxide hemihydrate","9-phosphatriptycene oxide hemihydrate","","- C38 H28 O3 P2 -","- C38 H28 O3 P2 -","- C304 H224 O24 P16 -","8","1","","Hu, Lei; Chakraborty, Sayandip; Tumanov, Nikolay; Wouters, Johan; Robiette, Raphaël; Berionni, Guillaume","Regulating iminophosphorane PN bond reactivity through geometric constraints with cage-shaped triarylphosphines.","Chemical communications (Cambridge, England)","2024","60","55","7073","7076","10.1039/d4cc01868k","","","1.54178","CuKα","","0.0606","0.0519","","","0.1367","0.146","","","","","","1.11","","","","has coordinates,has disorder","293669","2024-08-05","17:16:50",""
"7133212","20.3958","0.0006","13.4454","0.0006","12.1945","0.0004","90","","117.604","0.001","90","","2963.44","0.19","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","9-phosphatriptycene oxide hemi (hydrogen peroxide)","9-phosphatriptycene oxide hemi (hydrogen peroxide)","","- C19 H14 O2 P -","- C19 H14 O2 P -","- C152 H112 O16 P8 -","8","1","","Hu, Lei; Chakraborty, Sayandip; Tumanov, Nikolay; Wouters, Johan; Robiette, Raphaël; Berionni, Guillaume","Regulating iminophosphorane PN bond reactivity through geometric constraints with cage-shaped triarylphosphines.","Chemical communications (Cambridge, England)","2024","60","55","7073","7076","10.1039/d4cc01868k","","","1.54178","CuKα","","0.0354","0.0354","","","0.0894","0.0894","","","","","","1.081","","","","has coordinates","293669","2024-08-05","17:16:50",""
"7133213","14.0369","0.0005","13.6803","0.0005","15.7202","0.0005","90","","90.789","0.001","90","","3018.45","0.18","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","9-phosphatriptycene selenide","9-phosphatriptycene selenide","","- C19 H13 P Se -","- C19 H13 P Se -","- C152 H104 P8 Se8 -","8","1","","Hu, Lei; Chakraborty, Sayandip; Tumanov, Nikolay; Wouters, Johan; Robiette, Raphaël; Berionni, Guillaume","Regulating iminophosphorane PN bond reactivity through geometric constraints with cage-shaped triarylphosphines.","Chemical communications (Cambridge, England)","2024","60","55","7073","7076","10.1039/d4cc01868k","","","0.56086","AgKα","","0.0297","0.0285","","","0.0768","0.0782","","","","","","1.08","","","","has coordinates","293669","2024-08-05","17:16:50",""
"7133214","7.2774","0.0002","8.0944","0.0003","13.1388","0.0004","81.7506","0.0009","79.8049","0.001","70.6319","0.0009","715.63","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","9-phosphatriptycene oxide","9-phosphatriptycene oxide","","- C19 H13 O P -","- C19 H13 O P -","- C38 H26 O2 P2 -","2","1","","Hu, Lei; Chakraborty, Sayandip; Tumanov, Nikolay; Wouters, Johan; Robiette, Raphaël; Berionni, Guillaume","Regulating iminophosphorane PN bond reactivity through geometric constraints with cage-shaped triarylphosphines.","Chemical communications (Cambridge, England)","2024","60","55","7073","7076","10.1039/d4cc01868k","","","1.54178","CuKα","","0.0341","0.0341","","","0.0857","0.0857","","","","","","1.121","","","","has coordinates,has disorder","293669","2024-08-05","17:16:50",""
"7133215","8.9413","0.0002","13.6176","0.0003","15.5673","0.0004","90","","90","","90","","1895.46","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-phenyl-5λ^5^-9-phosphatriptycene-imine","N-phenyl-5λ^5^-9-phosphatriptycene-imine","","- C25 H18 N P -","- C25 H18 N P -","- C100 H72 N4 P4 -","4","1","","Hu, Lei; Chakraborty, Sayandip; Tumanov, Nikolay; Wouters, Johan; Robiette, Raphaël; Berionni, Guillaume","Regulating iminophosphorane PN bond reactivity through geometric constraints with cage-shaped triarylphosphines.","Chemical communications (Cambridge, England)","2024","60","55","7073","7076","10.1039/d4cc01868k","","","1.54178","CuKα","","0.0389","0.0387","","","0.1011","0.1013","","","","","","1.186","","","","has coordinates","293669","2024-08-05","17:16:50",""
"7133216","11.2365","0.0002","12.2624","0.0002","14.8185","0.0003","83.39","0.001","78.06","0.001","74.601","0.001","1921.98","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","(N-phenyl-9-phosphatriptycene-iminium)-2,3,5,6-tetrafluorophenyl]- bis(2,3,4,5,6-pentafluorophenyl)-fluoroborate dichloromethane solvate","(N-phenyl-9-phosphatriptycene-iminium)-2,3,5,6-tetrafluorophenyl]- bis(2,3,4,5,6-pentafluorophenyl)-fluoroborate dichloromethane solvate","","- C44 H20 B Cl2 F15 N P -","- C44 H20 B Cl2 F15 N P -","- C88 H40 B2 Cl4 F30 N2 P2 -","2","1","","Hu, Lei; Chakraborty, Sayandip; Tumanov, Nikolay; Wouters, Johan; Robiette, Raphaël; Berionni, Guillaume","Regulating iminophosphorane PN bond reactivity through geometric constraints with cage-shaped triarylphosphines.","Chemical communications (Cambridge, England)","2024","60","55","7073","7076","10.1039/d4cc01868k","","","1.54178","CuKα","","0.0378","0.0342","","","0.0876","0.0895","","","","","","1.032","","","","has coordinates,has disorder","293669","2024-08-05","17:16:50",""
"7133217","9.0484","0.0003","18.306","0.0006","14.4219","0.0004","90","","90.4144","0.0018","90","","2388.78","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-(ortho diisopropylphenyl)-5λ^5^-9-phosphatriptycene-imine","N-(ortho diisopropylphenyl)-5λ^5^-9-phosphatriptycene-imine","","- C31 H30 N P -","- C31 H30 N P -","- C124 H120 N4 P4 -","4","1","","Hu, Lei; Chakraborty, Sayandip; Tumanov, Nikolay; Wouters, Johan; Robiette, Raphaël; Berionni, Guillaume","Regulating iminophosphorane PN bond reactivity through geometric constraints with cage-shaped triarylphosphines.","Chemical communications (Cambridge, England)","2024","60","55","7073","7076","10.1039/d4cc01868k","","","1.54178","CuKα","","0.0907","0.0776","","","0.1705","0.1771","","","","","","1.153","","","","has coordinates,has disorder","293669","2024-08-05","17:16:50",""
"7133218","8.3718","0.0003","17.3368","0.0006","20.1621","0.0008","113.925","0.001","91.4063","0.0012","93.9353","0.0011","2664.18","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","9-phosphatriptycene-iminium bistriflimidate","9-phosphatriptycene-iminium bistriflimidate","","- C27 H19 F6 N2 O4 P S2 -","- C27 H19 F6 N2 O4 P S2 -","- C108 H76 F24 N8 O16 P4 S8 -","4","2","","Hu, Lei; Chakraborty, Sayandip; Tumanov, Nikolay; Wouters, Johan; Robiette, Raphaël; Berionni, Guillaume","Regulating iminophosphorane PN bond reactivity through geometric constraints with cage-shaped triarylphosphines.","Chemical communications (Cambridge, England)","2024","60","55","7073","7076","10.1039/d4cc01868k","","","0.56086","AgKα","","0.0473","0.0447","","","0.1218","0.1252","","","","","","1.045","","","","has coordinates,has disorder","293669","2024-08-05","17:16:50",""
"7133219","14.0811","0.0003","13.4388","0.0003","15.6879","0.0004","90","","90.464","0.001","90","","2968.57","0.12","100","2","100.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","phosphatriptycene sulfide","phosphatriptycene sulfide","","- C19 H13 P S -","- C19 H13 P S -","- C152 H104 P8 S8 -","8","1","","Hu, Lei; Chakraborty, Sayandip; Tumanov, Nikolay; Wouters, Johan; Robiette, Raphaël; Berionni, Guillaume","Regulating iminophosphorane PN bond reactivity through geometric constraints with cage-shaped triarylphosphines.","Chemical communications (Cambridge, England)","2024","60","55","7073","7076","10.1039/d4cc01868k","","","1.54178","CuKα","","0.0151","0.0149","","","0.0355","0.0358","","","","","","1.1","","","","has coordinates","293669","2024-08-05","17:16:50",""
"7133220","8.956","0.0001","12.4093","0.0001","12.9018","0.0001","90","","95.349","0.001","90","","1427.63","0.02","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H38 N2 O5 S Si -","- C27 H38 N2 O5 S Si -","- C54 H76 N4 O10 S2 Si2 -","2","1","","Mroczyńska, Karina; Dobrzańska, Liliana; Rafiński, Zbigniew","Enantioselective synthesis of C3-functionalized 2,1-benzothiazine 2,2-dioxides by N-heterocyclic carbene catalysis.","Chemical communications (Cambridge, England)","2024","60","56","7176","7179","10.1039/d4cc01754d","","","1.54184","CuKα","","0.0262","0.026","","","0.069","0.0692","","","","","","1.067","","","","has coordinates","293686","2024-08-05","17:23:08",""
"7133221","11.7184","0.0002","12.545","0.0002","14.696","0.0002","101.781","0.001","98.985","0.001","114.481","0.001","1853.15","0.06","200","2","200","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H35 Cl3 N0.5 O5 P -","- C40 H36 Cl3 N2 O4 P -","- C80 H72 Cl6 N4 O8 P2 -","2","1","","Zhou, Xiaocong; Wang, Jian; Ma, Dumei; Shen, Yirui; Zhao, Yufen; Wu, Ju","Electrochemical synthesis of phosphorylated azaspiro[4.5]di/trienones through dearomative spirocyclization.","Chemical communications (Cambridge, England)","2024","60","57","7351","7354","10.1039/d4cc02638a","","","1.54178","CuKα","","0.0453","0.0378","","","0.0972","0.1022","","","","","","1.05","","","","has coordinates","293694","2024-08-05","17:26:30",""
"7133222","21.3419","0.0005","21.1766","0.0005","21.9827","0.0005","90","","90","","90","","9935.1","0.4","200","","200","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C58 H51.67 N2 O8 P2 -","- C58.0018 H51.6688 N2 O8.0006 P2 -","- C464.014 H413.35 N16 O64.0048 P16 -","8","1","","Zhou, Xiaocong; Wang, Jian; Ma, Dumei; Shen, Yirui; Zhao, Yufen; Wu, Ju","Electrochemical synthesis of phosphorylated azaspiro[4.5]di/trienones through dearomative spirocyclization.","Chemical communications (Cambridge, England)","2024","60","57","7351","7354","10.1039/d4cc02638a","","","1.54178","CuKα","","0.0719","0.0652","","","0.1534","0.1565","","","","","","1.176","","","","has coordinates,has disorder","293694","2024-08-05","17:26:31",""
"7133223","10.835","0.0002","12.7978","0.0002","20.779","0.0004","81.75","0.001","80.192","0.001","89.486","0.001","2809.45","0.09","150.15","","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C29 H24 Cl4 F N O2 P -","- C29 H24 Cl4 N O3 P -","- C116 H96 Cl16 N4 O12 P4 -","4","2","","Zhou, Xiaocong; Wang, Jian; Ma, Dumei; Shen, Yirui; Zhao, Yufen; Wu, Ju","Electrochemical synthesis of phosphorylated azaspiro[4.5]di/trienones through dearomative spirocyclization.","Chemical communications (Cambridge, England)","2024","60","57","7351","7354","10.1039/d4cc02638a","","","1.54178","CuKα","","0.0444","0.0413","","","0.1019","0.104","","","","","","1.087","","","","has coordinates","293694","2024-08-05","17:26:31",""
"7133224","6.902","0.0006","13.8797","0.0012","16.3061","0.0014","66.241","0.004","89.878","0.003","76.826","0.003","1385","0.2","106","","106","","","","","","","","","4","P -1","-P 1","2","","SC_3_52A_2_a","","- C18 H13 N3 O2 -","- C18 H13 N3 O2 -","- C72 H52 N12 O8 -","4","2","","Chatterjee, Sarat; Khatun, Rousunara; Ali, Mahammad; Chowdhury, Chinmay","A solvent controlled regioselective synthesis of 2- and 4-substituted α-carbolines under palladium catalysis.","Chemical communications (Cambridge, England)","2024","60","58","7427","7430","10.1039/d4cc00668b","","x-ray","1.54178","CuKα","","0.101","0.0959","","","0.2987","0.3005","","","","","","1.141","","","","has coordinates","293674","2024-08-05","17:18:46",""
"7133225","13.4739","0.0004","7.1393","0.0002","14.6043","0.0005","90","","101.576","0.001","90","","1376.27","0.07","106","","106","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","SC_3_73A","","- C19 H16 N2 -","- C19 H16 N2 -","- C76 H64 N8 -","4","1","","Chatterjee, Sarat; Khatun, Rousunara; Ali, Mahammad; Chowdhury, Chinmay","A solvent controlled regioselective synthesis of 2- and 4-substituted α-carbolines under palladium catalysis.","Chemical communications (Cambridge, England)","2024","60","58","7427","7430","10.1039/d4cc00668b","","x-ray","1.54178","CuKα","","0.0429","0.0424","","","0.1092","0.1097","","","","","","1.06","","","","has coordinates","293674","2024-08-05","17:18:47",""
"7133226","15.637","0.0002","11.51056","0.00014","17.4414","0.0002","90","","108.662","0.0015","90","","2974.23","0.07","119.96","0.16","119.96","0.16","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H92 Mg2 N4 O2 Si4 -","- C56 H92 Mg2 N4 O2 Si4 -","- C112 H184 Mg4 N8 O4 Si8 -","2","0.5","","O'Reilly, Andrea; Haynes, Matthew D.; Turner, Zoë R; McMullin, Claire L.; Harder, Sjoerd; O'Hare, Dermot; Fulton, J. Robin; Coles, Martyn P.","Mixing and matching <i>N</i>,<i>N</i>- and <i>N</i>,<i>O</i>-chelates in anionic Mg(I) compounds: synthesis and reactivity with RNCNR and CO.","Chemical communications (Cambridge, England)","2024","60","56","7204","7207","10.1039/d4cc02594f","","x-ray","1.54184","CuKα","","0.0339","0.0292","","","0.0737","0.0768","","","","","","1.013","","","","has coordinates","293682","2024-08-05","17:21:53",""
"7133227","14.3212","0.00019","20.5716","0.0002","15.38509","0.00018","90","","94.3942","0.0011","90","","4519.28","0.09","120","0.1","120","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H68 K Mg N2 O3 Si2 -","- C42 H68 K Mg N2 O3 Si2 -","- C168 H272 K4 Mg4 N8 O12 Si8 -","4","1","","O'Reilly, Andrea; Haynes, Matthew D.; Turner, Zoë R; McMullin, Claire L.; Harder, Sjoerd; O'Hare, Dermot; Fulton, J. Robin; Coles, Martyn P.","Mixing and matching <i>N</i>,<i>N</i>- and <i>N</i>,<i>O</i>-chelates in anionic Mg(I) compounds: synthesis and reactivity with RNCNR and CO.","Chemical communications (Cambridge, England)","2024","60","56","7204","7207","10.1039/d4cc02594f","","x-ray","1.54184","CuKα","","0.0478","0.0448","","","0.1205","0.1229","","","","","","1.049","","","","has coordinates,has disorder","293682","2024-08-05","17:21:54",""
"7133228","10.9645","0.0003","15.9181","0.0004","23.3852","0.0005","70.892","0.002","89.038","0.002","72.072","0.003","3653.33","0.18","119.99","0.16","119.99","0.16","","","","","","","","7","P -1","-P 1","2","","","","- C66 H112 K2 Mg2 N4 O6 Si4 -","- C66 H112 K2 Mg2 N4 O6 Si4 -","- C132 H224 K4 Mg4 N8 O12 Si8 -","2","1","","O'Reilly, Andrea; Haynes, Matthew D.; Turner, Zoë R; McMullin, Claire L.; Harder, Sjoerd; O'Hare, Dermot; Fulton, J. Robin; Coles, Martyn P.","Mixing and matching <i>N</i>,<i>N</i>- and <i>N</i>,<i>O</i>-chelates in anionic Mg(I) compounds: synthesis and reactivity with RNCNR and CO.","Chemical communications (Cambridge, England)","2024","60","56","7204","7207","10.1039/d4cc02594f","","x-ray","1.54184","CuKα","","0.0892","0.0761","","","0.2282","0.2379","","","","","","1.113","","","","has coordinates,has disorder","293682","2024-08-05","17:21:54",""
"7133229","16.3939","0.0002","21.2191","0.0003","21.8811","0.0003","81.3508","0.0013","89.9089","0.0012","88.1901","0.0013","7521.29","0.18","149.99","0.1","149.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C138 H224 K4 Mg4 N12 O4 Si8 -","- C138 H224 K4 Mg4 N12 O4 Si8 -","- C276 H448 K8 Mg8 N24 O8 Si16 -","2","1","","O'Reilly, Andrea; Haynes, Matthew D.; Turner, Zoë R; McMullin, Claire L.; Harder, Sjoerd; O'Hare, Dermot; Fulton, J. Robin; Coles, Martyn P.","Mixing and matching <i>N</i>,<i>N</i>- and <i>N</i>,<i>O</i>-chelates in anionic Mg(I) compounds: synthesis and reactivity with RNCNR and CO.","Chemical communications (Cambridge, England)","2024","60","56","7204","7207","10.1039/d4cc02594f","","x-ray","1.54184","CuKα","","0.0671","0.0545","","","0.139","0.1483","","","","","","1.027","","","","has coordinates,has disorder","293682","2024-08-05","17:21:54",""
"7133230","8.3038","0.0018","11.289","0.003","11.546","0.003","63.736","0.01","87.201","0.01","78.91","0.009","951.7","0.4","298","2","298","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H18 O5 -","- C24 H18 O5 -","- C48 H36 O10 -","2","1","","Singh, Sanjay; Sharma, Pragya; Dutta, Sayantan; Vishwakarma, Rahul; Hazra, Chinmoy K.","An organocatalytic domino annulation approach <i>via</i> C(sp<sup>2</sup>)-OMe cleavage to unlock the synthesis of pyranochromenones enabled by HFIP.","Chemical communications (Cambridge, England)","2024","60","56","7200","7203","10.1039/d4cc01953a","","","0.71073","MoKα","","0.1154","0.0625","","","0.1581","0.1984","","","","","","1.0375","","","","has coordinates","293684","2024-08-05","17:22:33",""
"7133231","7.3859","0.0013","10.8372","0.0018","12.379","0.002","101.327","0.005","97.246","0.006","92.314","0.006","961.6","0.3","299","2","299","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H17 Cl O5 -","- C24 H17 Cl O5 -","- C48 H34 Cl2 O10 -","2","1","","Singh, Sanjay; Sharma, Pragya; Dutta, Sayantan; Vishwakarma, Rahul; Hazra, Chinmoy K.","An organocatalytic domino annulation approach <i>via</i> C(sp<sup>2</sup>)-OMe cleavage to unlock the synthesis of pyranochromenones enabled by HFIP.","Chemical communications (Cambridge, England)","2024","60","56","7200","7203","10.1039/d4cc01953a","","","0.71073","MoKα","","0.0537","0.0399","","","0.1006","0.1102","","","","","","1.0964","","","","has coordinates","293684","2024-08-05","17:22:33",""
"7133232","30.5","0.009","30.5","0.009","7.127","0.002","90","","90","","120","","5742","3","297","2","297","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6 H36 Ho2 O30 -","- C6 H12 Ho2 O30 -","- C54 H108 Ho18 O270 -","9","0.5","","El Alouani Dahmouni, Nadia; Orts-Arroyo, Marta; Sanchis-Perucho, Adrián; Moliner, Nicolás; Mayans, Júlia; Pacheco, Mario; Castro, Isabel; De Munno, Giovanni; Marino, Nadia; Ruiz-García, Rafael; Martínez-Lillo, José","Magnetocaloric efficiency tuning through solvent-triggered 3D to 2D interconversion in holmium(III)-based dynamic MOFs.","Chemical communications (Cambridge, England)","2024","60","58","7451","7454","10.1039/d4cc02539c","","","0.71073","MoKα","","0.1041","0.0642","","","0.1393","0.1614","","","","","","1.035","","","","has coordinates","293677","2024-08-05","17:19:49",""
"7133233","10.9347","0.0003","9.604","0.0003","9.9542","0.0003","90","","114.143","0.001","90","","953.92","0.05","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H20 Ho2 O22 -","- C6 H12 Ho2 O22 -","- C12 H24 Ho4 O44 -","2","0.5","","El Alouani Dahmouni, Nadia; Orts-Arroyo, Marta; Sanchis-Perucho, Adrián; Moliner, Nicolás; Mayans, Júlia; Pacheco, Mario; Castro, Isabel; De Munno, Giovanni; Marino, Nadia; Ruiz-García, Rafael; Martínez-Lillo, José","Magnetocaloric efficiency tuning through solvent-triggered 3D to 2D interconversion in holmium(III)-based dynamic MOFs.","Chemical communications (Cambridge, England)","2024","60","58","7451","7454","10.1039/d4cc02539c","","","0.71073","MoKα","","0.0166","0.0146","","","0.0364","0.0378","","","","","","1.115","","","","has coordinates","293677","2024-08-05","17:19:50",""
"7133234","8.5423","0.0002","12.3659","0.0002","16.7686","0.0003","90","","90","","90","","1771.32","0.06","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 O4 -","- C21 H20 O4 -","- C84 H80 O16 -","4","1","","Zeng, Hongkun; Wen, Gang; Lin, Lili; Feng, Xiaoming","Asymmetric dearomatization of benzyl 1-naphthyl ethers <i>via</i> [1,3] O-to-C rearrangement.","Chemical communications (Cambridge, England)","2024","60","58","7507","7510","10.1039/d4cc02620a","","","1.54178","CuKα","","0.0275","0.0267","","","0.0698","0.0705","","","","","","1.03","","","","has coordinates","293678","2024-08-05","17:20:06",""
"7133235","12.6042","0.0003","16.7477","0.0004","13.9724","0.0004","90","","90.008","0.001","90","","2949.45","0.13","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C55 H88 B2 Co F8 N4 O7 -","- C55 H88 B2 Co F8 N4 O7 -","- C110 H176 B4 Co2 F16 N8 O14 -","2","1","","Zeng, Hongkun; Wen, Gang; Lin, Lili; Feng, Xiaoming","Asymmetric dearomatization of benzyl 1-naphthyl ethers <i>via</i> [1,3] O-to-C rearrangement.","Chemical communications (Cambridge, England)","2024","60","58","7507","7510","10.1039/d4cc02620a","","","0.71073","MoKα","","0.0503","0.0453","","","0.1145","0.1184","","","","","","1.035","","","","has coordinates,has disorder","293678","2024-08-05","17:20:06",""
"7133236","27.7753","0.0005","10.2408","0.0002","29.891","0.0006","90","","117.95","0.003","90","","7510.5","0.3","99.99","0.13","99.99","0.13","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C48 H96 Al4 Eu4 N8 O32 -","- C48 H96 Al4 Eu4 N8 O32 -","- C192 H384 Al16 Eu16 N32 O128 -","4","0.5","","Sun, Qian-Ru; Luo, Dan; Lv, Yaokang; Fang, Wei-Hui; Zhang, Jian","Synthesis and photoluminescence properties of polymer chains based on pre-designed heterometallic Al<sub>4</sub>Ln<sub>4</sub> molecular rings.","Chemical communications (Cambridge, England)","2024","60","59","7574","7577","10.1039/d4cc01611d","","x-ray","1.3405","GaKα","","0.0584","0.0473","","","0.1077","0.113","","","","","","1.039","","","","has coordinates,has disorder","293712","2024-08-05","17:33:39",""
"7133237","28.9871","0.0008","10.1594","0.0003","27.5988","0.0007","90","","99.049","0.002","90","","8026.5","0.4","100","0.13","100","0.13","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C216 H440 Al16 Er16 N40 O136 -","- C216 H440 Al16 Er16 N40 O136 -","- C216 H440 Al16 Er16 N40 O136 -","1","0.125","","Sun, Qian-Ru; Luo, Dan; Lv, Yaokang; Fang, Wei-Hui; Zhang, Jian","Synthesis and photoluminescence properties of polymer chains based on pre-designed heterometallic Al<sub>4</sub>Ln<sub>4</sub> molecular rings.","Chemical communications (Cambridge, England)","2024","60","59","7574","7577","10.1039/d4cc01611d","","x-ray","1.3405","GaKα","","0.083","0.0629","","","0.1356","0.1457","","","","","","1.024","","","","has coordinates","293712","2024-08-05","17:33:39",""
"7133238","27.9072","0.0005","10.2096","0.0002","29.8833","0.0006","90","","118.087","0.003","90","","7511.7","0.3","100","0.1","100","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","AlOC-195-Sm","","- C48 H96 Al4 N8 O32 Sm4 -","- C48 H96 Al4 N8 O32 Sm4 -","- C192 H384 Al16 N32 O128 Sm16 -","4","0.5","","Sun, Qian-Ru; Luo, Dan; Lv, Yaokang; Fang, Wei-Hui; Zhang, Jian","Synthesis and photoluminescence properties of polymer chains based on pre-designed heterometallic Al<sub>4</sub>Ln<sub>4</sub> molecular rings.","Chemical communications (Cambridge, England)","2024","60","59","7574","7577","10.1039/d4cc01611d","","x-ray","1.3405","GaKα","","0.0656","0.0571","","","0.1469","0.1526","","","","","","1.051","","","","has coordinates,has disorder","293712","2024-08-05","17:33:39",""
"7133239","27.5463","0.0007","10.2945","0.0002","29.7052","0.0008","90","","117.751","0.003","90","","7454.8","0.4","100","0.1","100","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C47.99 H95.97 Al4 Gd4 N8 O32 -","- C47.9866 H95.9732 Al4 Gd4 N8 O32 -","- C191.946 H383.893 Al16 Gd16 N32 O128 -","4","0.5","","Sun, Qian-Ru; Luo, Dan; Lv, Yaokang; Fang, Wei-Hui; Zhang, Jian","Synthesis and photoluminescence properties of polymer chains based on pre-designed heterometallic Al<sub>4</sub>Ln<sub>4</sub> molecular rings.","Chemical communications (Cambridge, England)","2024","60","59","7574","7577","10.1039/d4cc01611d","","x-ray","1.3405","GaKα","","0.061","0.044","","","0.099","0.1065","","","","","","1","","","","has coordinates,has disorder","293712","2024-08-05","17:33:39",""
"7133240","29.1901","0.0009","10.2991","0.0003","27.6382","0.0006","90","","98.946","0.002","90","","8207.8","0.4","262","2","262","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C51 H103 Al4 Dy4 N9 O33 -","- C51 H103 Al4 Dy4 N9 O33 -","- C204 H412 Al16 Dy16 N36 O132 -","4","0.5","","Sun, Qian-Ru; Luo, Dan; Lv, Yaokang; Fang, Wei-Hui; Zhang, Jian","Synthesis and photoluminescence properties of polymer chains based on pre-designed heterometallic Al<sub>4</sub>Ln<sub>4</sub> molecular rings.","Chemical communications (Cambridge, England)","2024","60","59","7574","7577","10.1039/d4cc01611d","","x-ray","1.3405","GaKα","","0.0912","0.0676","","","0.1759","0.1919","","","","","","0.933","","","","has coordinates,has disorder","293712","2024-08-05","17:33:39",""
"7133241","28.9677","0.0008","10.1285","0.0003","27.67","0.001","90","","99.14","0.003","90","","8015.3","0.4","100","0.12","100","0.12","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","AlOC-195-Ho","","- C51 H101 Al4 Ho4 N9 O33 -","- C51 H101 Al4 Ho4 N9 O33 -","- C204 H404 Al16 Ho16 N36 O132 -","4","0.5","","Sun, Qian-Ru; Luo, Dan; Lv, Yaokang; Fang, Wei-Hui; Zhang, Jian","Synthesis and photoluminescence properties of polymer chains based on pre-designed heterometallic Al<sub>4</sub>Ln<sub>4</sub> molecular rings.","Chemical communications (Cambridge, England)","2024","60","59","7574","7577","10.1039/d4cc01611d","","x-ray","1.3405","GaKα","","0.1687","0.1298","","","0.3124","0.3467","","","","","","1.029","","","","has coordinates","293712","2024-08-05","17:33:39",""
"7133242","27.599","0.0006","10.1083","0.0003","28.8433","0.0008","90","","99.182","0.002","90","","7943.6","0.4","100","0.13","100","0.13","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C48 H96 Al4 N8 O32 Tm4 -","- C48 H96 Al4 N8 O32 Tm4 -","- C192 H384 Al16 N32 O128 Tm16 -","4","0.5","","Sun, Qian-Ru; Luo, Dan; Lv, Yaokang; Fang, Wei-Hui; Zhang, Jian","Synthesis and photoluminescence properties of polymer chains based on pre-designed heterometallic Al<sub>4</sub>Ln<sub>4</sub> molecular rings.","Chemical communications (Cambridge, England)","2024","60","59","7574","7577","10.1039/d4cc01611d","","x-ray","1.3405","GaKα","","0.1188","0.0884","","","0.2004","0.2193","","","","","","1.027","","","","has coordinates","293712","2024-08-05","17:33:40",""
"7133243","27.9239","0.0005","10.1329","0.0002","28.9993","0.0005","90","","99.256","0.002","90","","8098.5","0.3","100","0.1","100","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C54 H110 Al4 N10 O34 Tb4 -","- C54 H110 Al4 N10 O34 Tb4 -","- C216 H440 Al16 N40 O136 Tb16 -","4","0.5","","Sun, Qian-Ru; Luo, Dan; Lv, Yaokang; Fang, Wei-Hui; Zhang, Jian","Synthesis and photoluminescence properties of polymer chains based on pre-designed heterometallic Al<sub>4</sub>Ln<sub>4</sub> molecular rings.","Chemical communications (Cambridge, England)","2024","60","59","7574","7577","10.1039/d4cc01611d","","x-ray","1.3405","GaKα","","0.0673","0.0549","","","0.1366","0.1424","","","","","","1.04","","","","has coordinates,has disorder","293712","2024-08-05","17:33:40",""
"7133244","14.4561","0.0007","21.9459","0.0008","22.0092","0.0006","60.305","0.003","83.03","0.003","74.276","0.004","5837.8","0.4","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C106 H92.03 N6 O18 -","- C106 H92.03 N6 O18 -","- C212 H184.06 N12 O36 -","2","1","","Samanta, Krishanu; Mi, Jiashan; Chen, Albert D.; Li, Fangzhou; Staples, Richard J.; Rossini, Aaron J.; Ke, Chenfeng","Porous organic crystals crosslinked by free-radical reactions.","Chemical communications (Cambridge, England)","2024","60","57","7311","7314","10.1039/d4cc02454k","","x-ray","1.54184","CuKα","","0.1938","0.1498","","","0.39","0.423","","","","","","1.326","","","","has coordinates,has disorder","293697","2024-08-05","17:28:22",""
"7133245","14.3348","0.0002","21.7619","0.0003","21.9674","0.0003","114.642","0.001","97.609","0.001","108.079","0.001","5642.86","0.16","100","0.1","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C102 H90 N6 O18 -","- C102 H90 N6 O18 -","- C204 H180 N12 O36 -","2","1","","Samanta, Krishanu; Mi, Jiashan; Chen, Albert D.; Li, Fangzhou; Staples, Richard J.; Rossini, Aaron J.; Ke, Chenfeng","Porous organic crystals crosslinked by free-radical reactions.","Chemical communications (Cambridge, England)","2024","60","57","7311","7314","10.1039/d4cc02454k","","x-ray","1.54184","CuKα","","0.1003","0.0937","","","0.27","0.2749","","","","","","1.048","","","","has coordinates,has disorder","293697","2024-08-05","17:28:22",""
"7133246","14.4122","0.0008","21.9201","0.0008","22.0159","0.0005","60.357","0.003","83.564","0.003","74.23","0.004","5815.3","0.5","99.98","0.11","99.98","0.11","","","","","","","","4","P -1","-P 1","2","","","","- C107 H98.1 N6 O18 -","- C107 H98.056 N6 O18 -","- C214 H196.112 N12 O36 -","2","1","","Samanta, Krishanu; Mi, Jiashan; Chen, Albert D.; Li, Fangzhou; Staples, Richard J.; Rossini, Aaron J.; Ke, Chenfeng","Porous organic crystals crosslinked by free-radical reactions.","Chemical communications (Cambridge, England)","2024","60","57","7311","7314","10.1039/d4cc02454k","","x-ray","1.54184","CuKα","","0.1991","0.149","","","0.3708","0.4088","","","","","","1.258","","","","has coordinates,has disorder","293697","2024-08-05","17:28:22",""
"7133247","38.116","0.0009","21.9306","0.0004","42.5599","0.0012","90","","103.44","0.002","90","","34601.8","1.4","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C144 H135 N9 O27 -","- C144 H135 N9 O27 -","- C1152 H1080 N72 O216 -","8","1","","Samanta, Krishanu; Mi, Jiashan; Chen, Albert D.; Li, Fangzhou; Staples, Richard J.; Rossini, Aaron J.; Ke, Chenfeng","Porous organic crystals crosslinked by free-radical reactions.","Chemical communications (Cambridge, England)","2024","60","57","7311","7314","10.1039/d4cc02454k","","x-ray","1.54184","CuKα","","0.1106","0.0996","","","0.2932","0.3023","","","","","","1.041","","","","has coordinates,has disorder","293697","2024-08-05","17:28:22",""
"7133248","8.6321","0.0012","7.8942","0.0013","25.961","0.004","90","","90.123","0.006","90","","1769.1","0.5","298","2","298","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C12 H36 Ag Br11.74 Cl0.26 N4 Sb -","- C12 H36 Ag Br11.736 Cl0.264 N4 Sb -","- C24 H72 Ag2 Br23.472 Cl0.528 N8 Sb2 -","2","1","","Rajput, Shubham Ajaykumar; Antharjanam, Sudhadevi; Chandiran, Aravind Kumar","An above-room-temperature ferroelectric two-dimensional halide double perovskite with direction dependent properties.","Chemical communications (Cambridge, England)","2024","60","61","7898","7901","10.1039/d4cc01520g","","","0.71073","MoKα","","0.0675","0.053","","","0.1101","0.1196","","","","","","1.072","","","","has coordinates,has disorder","293716","2024-08-05","17:35:00",""
"7133249","32.3485","0.001","19.7547","0.0005","32.5262","0.0009","90","","112.66","0.001","90","","19180.9","0.9","193","2","193","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C144 H290 Cu48 N16 O189 P16 S20 -","- C144 H290 Cu48 N16 O189 P16 S20 -","- C288 H580 Cu96 N32 O378 P32 S40 -","2","0.5","","Teng, Qian; Gao, Ran; Bao, Song-Song; Zheng, Li-Min","Cu<sub>12</sub>-cluster-based metal-organic framework as a metastable intermediate in the formation of a layered copper phosphonate.","Chemical communications (Cambridge, England)","2024","60","60","7765","7768","10.1039/d4cc00550c","","","0.71073","MoKα","","0.0518","0.0457","","","0.1211","0.1252","","","","","","1.036","","","","has coordinates,has disorder","293708","2024-08-05","17:32:27",""
"7133250","7.0932","0.0003","7.3733","0.0004","31.2935","0.0015","90","","90","","90","","1636.66","0.14","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C9.5 H19 Cu2 N O10 P S -","- C9.5 H19 Cu2 N O10 P S -","- C38 H76 Cu8 N4 O40 P4 S4 -","4","1","","Teng, Qian; Gao, Ran; Bao, Song-Song; Zheng, Li-Min","Cu<sub>12</sub>-cluster-based metal-organic framework as a metastable intermediate in the formation of a layered copper phosphonate.","Chemical communications (Cambridge, England)","2024","60","60","7765","7768","10.1039/d4cc00550c","","","0.71073","MoKα","","0.025","0.023","","","0.0596","0.0611","","","","","","1.079","","","","has coordinates,has disorder","293708","2024-08-05","17:32:28",""
"7133251","14.791","0.0003","11.623","0.0002","18.6337","0.0003","90","","109.354","0.001","90","","3022.4","0.1","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H35 N3 O4 S -","- C34 H35 N3 O4 S -","- C136 H140 N12 O16 S4 -","4","1","","Sun, Zetian; Zhang, Jianting; Du, Xiaohua; Liu, Lulu; Gao, Shuo; Qi, Chenchen; Li, Xiaoqing; Xu, Xiangsheng","Photoinduced EnT-mediated sulfonamidylimination of alkenes and (hetero)arenes with iminophenylacetic acid oxime esters.","Chemical communications (Cambridge, England)","2024","60","61","7934","7937","10.1039/d4cc02225d","","","0.71073","MoKα","","0.0471","0.039","","","0.0935","0.0999","","","","","","1.053","","","","has coordinates","293722","2024-08-05","17:37:57",""
"7133252","13.5991","0.0002","13.5991","0.0002","52.4778","0.0008","90","","90","","120","","8404.8","0.2","213","","213","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C61 H68 Cl2 O13 -","- C60.9993 H67.9986 Cl1.9998 O12.9999 -","- C365.996 H407.992 Cl11.9988 O77.9994 -","6","0.333333","","Liu, Rui; Li, Ming; Liu, Zhongwen; Hua, Bin","Separation of cyclohexanol from cyclohexanol/cyclohexene mixtures by crystals of pillar[6]arene containing three benzoquinone units.","Chemical communications (Cambridge, England)","2024","60","59","7626","7629","10.1039/d4cc02407a","","","1.34139","GaKα","","0.0609","0.0529","","","0.1508","0.1593","","","","","","1.057","","","","has coordinates,has disorder","293711","2024-08-05","17:32:58",""
"7133253","16.1387","0.0008","28.3321","0.0011","8.3321","0.0004","90","","95.419","0.004","90","","3792.8","0.3","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H45 N3 O12 -","- C39 H45 N3 O12 -","- C156 H180 N12 O48 -","4","1","","Wu, Simei; Tao, Wei; Wang, Tao; Xu, Jieqiong; Wei, Peifa","A crown ether embedded responsive π-gelator for transition from a one-component gel to a two-component gel.","Chemical communications (Cambridge, England)","2024","60","63","8232","8235","10.1039/d4cc02867h","","","1.54186","CuKα","","0.1257","0.0992","","","0.234","0.2641","","","","","","0.968","","","","has coordinates","293691","2024-08-05","17:25:24",""
"7133254","31.3061","0.0014","4.701","0.0002","26.9834","0.0013","90","","93.029","0.004","90","","3965.6","0.3","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H41 N2 O12 -","- C37 H41 N2 O12 -","- C148 H164 N8 O48 -","4","1","","Wu, Simei; Tao, Wei; Wang, Tao; Xu, Jieqiong; Wei, Peifa","A crown ether embedded responsive π-gelator for transition from a one-component gel to a two-component gel.","Chemical communications (Cambridge, England)","2024","60","63","8232","8235","10.1039/d4cc02867h","","","1.54186","CuKα","","0.1303","0.0976","","","0.236","0.2716","","","","","","1.031","","","","has coordinates,has disorder","293691","2024-08-05","17:25:24",""
"7133255","17.155","0.004","10.5253","0.0019","19.426","0.003","90","","91.508","0.007","90","","3506.4","1.2","160","2","160","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C50 H36 O2 -","- C50 H36 O2 -","- C200 H144 O8 -","4","1","","Sheokand, Sonu; Sharma, Sunita; Mohite, Manali A.; Rajaraman, Gopalan; Balakrishna, Maravanji S.","ZnCl<sub>2</sub>-catalysed transfer hydrogenation of carbonyls and chemoselective reduction of the CC bond in α,β-unsaturated ketones.","Chemical communications (Cambridge, England)","2024","60","60","7733","7736","10.1039/d4cc02700k","","","0.71073","MoKα","","0.1381","0.0683","","","0.1619","0.2064","","","","","","0.976","","","","has coordinates","293709","2024-08-05","17:32:38",""
"7133256","7.9091","0.0002","23.3932","0.0006","20.4994","0.0005","90","","90.281","0.002","90","","3792.74","0.16","115","0.2","115.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H36 N2 O6 Zn -","- C48 H36 N2 O6 Zn -","- C192 H144 N8 O24 Zn4 -","4","1","","Pham-Tran, Victoria N P; Moffat, James G. D.; Marczenko, Katherine M.","Polymorph driven diversification of photosalient responses in a zinc(II) coordination complex.","Chemical communications (Cambridge, England)","2024","60","61","7890","7893","10.1039/d4cc01593b","","","0.71073","MoKα","","0.0914","0.0542","","","0.083","0.0917","","","","","","1.0619","","","","has coordinates","293720","2024-08-05","17:37:36",""
"7133257","7.9164","0.0002","23.6249","0.0008","20.5918","0.0006","90","","91.802","0.003","90","","3849.3","0.2","292.7","0.3","292.7","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H36 N2 O6 Zn -","- C48 H36 N2 O6 Zn -","- C192 H144 N8 O24 Zn4 -","4","1","","Pham-Tran, Victoria N P; Moffat, James G. D.; Marczenko, Katherine M.","Polymorph driven diversification of photosalient responses in a zinc(II) coordination complex.","Chemical communications (Cambridge, England)","2024","60","61","7890","7893","10.1039/d4cc01593b","","x-ray","0.71073","MoKα","","0.0982","0.0551","","","0.1063","0.1189","","","","","","1.036","","","","has coordinates,has disorder","293720","2024-08-05","17:37:36",""
"7133258","7.8927","0.0003","23.5873","0.0007","20.5265","0.0006","90","","91.988","0.003","90","","3819.1","0.2","293.1","0.5","293.1","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H36 N2 O6 Zn -","- C48 H36 N2 O6 Zn -","- C192 H144 N8 O24 Zn4 -","4","1","","Pham-Tran, Victoria N P; Moffat, James G. D.; Marczenko, Katherine M.","Polymorph driven diversification of photosalient responses in a zinc(II) coordination complex.","Chemical communications (Cambridge, England)","2024","60","61","7890","7893","10.1039/d4cc01593b","","x-ray","0.71073","MoKα","","0.0678","0.046","","","0.0854","0.0916","","","","","","1.083","","","","has coordinates,has disorder","293720","2024-08-05","17:37:36",""
"7133259","7.8858","0.0002","23.506","0.0007","20.4093","0.0007","90","","91.544","0.003","90","","3781.8","0.2","115","0.2","115.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H36 N2 O6 Zn -","- C48 H36 N2 O6 Zn -","- C192 H144 N8 O24 Zn4 -","4","1","","Pham-Tran, Victoria N P; Moffat, James G. D.; Marczenko, Katherine M.","Polymorph driven diversification of photosalient responses in a zinc(II) coordination complex.","Chemical communications (Cambridge, England)","2024","60","61","7890","7893","10.1039/d4cc01593b","","","0.71073","MoKα","","0.1334","0.0876","","","0.1337","0.1473","","","","","","1.1394","","","","has coordinates,has disorder","293720","2024-08-05","17:37:37",""
"7133260","7.8902","0.0001","23.5724","0.0004","20.3308","0.0004","90","","92.206","0.002","90","","3778.54","0.11","114.98","0.15","115.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H36 N2 O6 Zn -","- C48 H36 N2 O6 Zn -","- C192 H144 N8 O24 Zn4 -","4","1","","Pham-Tran, Victoria N P; Moffat, James G. D.; Marczenko, Katherine M.","Polymorph driven diversification of photosalient responses in a zinc(II) coordination complex.","Chemical communications (Cambridge, England)","2024","60","61","7890","7893","10.1039/d4cc01593b","","","0.71073","MoKα","","0.0664","0.0463","","","0.0816","0.0871","","","","","","1.0696","","","","has coordinates,has disorder","293720","2024-08-05","17:37:37",""
"7133261","13.452","0.0004","22.8729","0.0007","23.7434","0.0008","101.621","0.003","94.411","0.003","90.086","0.003","7133.5","0.4","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C144 H212 K2 N2 O26 Ti2 -","- C130 H190 K2 N2 O24 Ti2 -","- C260 H380 K4 N4 O48 Ti4 -","2","1","","Ishida, Yutaka; Nakanishi, Yusuke; Hiratsuka, Takuma; Kawaguchi, Hiroyuki","Hydrazido complexes prepared by methylation of an anionic end-on bridging dinitrogen dititanium complex.","Chemical communications (Cambridge, England)","2024","60","58","7459","7462","10.1039/d4cc02080d","","x-ray","0.71073","MoKα","","0.2061","0.0907","","","0.1916","0.2396","","","","","","1","","","","has coordinates,has disorder","293676","2024-08-05","17:19:39",""
"7133262","13.92","0.0001","25.4342","0.0002","30.2821","0.0002","90","","103.153","0.001","90","","10439.9","0.14","123","","123","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C108 H158 K2 N2 O10 Ti2 -","- C108 H158 K2 N2 O10 Ti2 -","- C432 H632 K8 N8 O40 Ti8 -","4","1","","Ishida, Yutaka; Nakanishi, Yusuke; Hiratsuka, Takuma; Kawaguchi, Hiroyuki","Hydrazido complexes prepared by methylation of an anionic end-on bridging dinitrogen dititanium complex.","Chemical communications (Cambridge, England)","2024","60","58","7459","7462","10.1039/d4cc02080d","","x-ray","1.54184","CuKα","","0.0438","0.0422","","","0.1134","0.1148","","","","","","1.028","","","","has coordinates,has disorder","293676","2024-08-05","17:19:39",""
"7133263","12.6774","0.0004","23.2733","0.0008","17.2556","0.0005","90","","92.162","0.003","90","","5087.6","0.3","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C64 H64 N4 -","- C50 H48 N4 -","- C200 H192 N16 -","4","1","","Jiang, Zhiyan; Kuninobu, Yoichiro","Synthesis of a novel twisted π-conjugated macrocycle <i>via</i> double Friedel-Crafts reaction and its physical properties.","Chemical communications (Cambridge, England)","2024","60","59","7642","7645","10.1039/d4cc00890a","","x-ray","1.54184","CuKα","","0.0667","0.0609","","","0.1909","0.1965","","","","","","1.07","","","","has coordinates","293714","2024-08-05","17:34:36",""
"7133264","9.8956","0.0006","13.8451","0.0009","14.417","0.0009","95.736","0.002","94.844","0.002","102.727","0.002","1905.5","0.2","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C77 H61 Li8 N7 O19 -","- C77 H61 Li8 N7 O19 -","- C77 H61 Li8 N7 O19 -","1","0.5","","Li, Shu-Fan; Meng, Ya-Ru; Xu, Min-Jie; Zhang, Gen; Su, Jian","Construction of a redox-active metal-organic framework with an octanuclear lithium one-dimensional building block.","Chemical communications (Cambridge, England)","2024","60","62","8047","8050","10.1039/d4cc02111h","","","0.71073","MoKα","","0.0874","0.0664","","","0.1979","0.22","","","","","","1.045","","","","has coordinates,has disorder","293700","2024-08-05","17:29:31",""
"7133265","15.2503","0.0006","16.0371","0.0006","16.0776","0.0006","69.051","0.004","69.699","0.004","71.172","0.004","3354.3","0.3","149.9","0.7","149.9","0.7","","","","","","","","5","P -1","-P 1","2","","","","- C136 H204 Ca4 N8 Zn4 -","- C136 H204 Ca4 N8 Zn4 -","- C136 H204 Ca4 N8 Zn4 -","1","0.5","","Pearce, Kyle G.; Neale, Samuel E.; McMullin, Claire L.; Mahon, Mary F.; Hill, Michael S.","Pathway to a molecular calcium methyl.","Chemical communications (Cambridge, England)","2024","60","61","7882","7885","10.1039/d4cc02930e","","x-ray","0.71073","MoKα","","0.0631","0.0439","","","0.1154","0.1289","","","","","","1.026","","","","has coordinates,has disorder","293718","2024-08-05","17:35:28",""
"7133266","13.5951","0.0004","19.1092","0.0004","14.1535","0.0004","90","","108.43","0.003","90","","3488.37","0.17","149.9","0.7","149.9","0.7","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C72 H116 Ca2 N4 -","- C72 H116 Ca2 N4 -","- C144 H232 Ca4 N8 -","2","0.5","","Pearce, Kyle G.; Neale, Samuel E.; McMullin, Claire L.; Mahon, Mary F.; Hill, Michael S.","Pathway to a molecular calcium methyl.","Chemical communications (Cambridge, England)","2024","60","61","7882","7885","10.1039/d4cc02930e","","x-ray","0.71073","MoKα","","0.0939","0.0625","","","0.1626","0.1844","","","","","","1.03","","","","has coordinates","293718","2024-08-05","17:35:29",""
"7133267","10.6735","0.0003","11.3393","0.0003","15.9814","0.0005","96.998","0.002","104.429","0.002","106.09","0.002","1761.56","0.09","293.15","","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H31 Cl2 N -","- C48 H31 Cl2 N -","- C96 H62 Cl4 N2 -","2","1","","Wang, Ru-Jia; Zheng, Fan; Liu, Xiao-Long; Wu, Yu-Lan; Jin, Jia-Ming; Li, Ze-Yan; Chen, Wen-Cheng; Huo, Yanping","A through-space charge transfer pyrene-based fluorophore with anti-quenching behavior for deep-blue organic light-emitting devices.","Chemical communications (Cambridge, England)","2024","60","61","7946","7949","10.1039/d4cc02880e","","x-ray","1.54184","CuKα","","0.0718","0.0602","","","0.1777","0.1896","","","","","","1.08","","","","has coordinates","293719","2024-08-05","17:35:39",""
"7133268","6.3415","0.0001","8.4205","0.0002","30.8465","0.0007","90","","90","","90","","1647.16","0.06","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","1","","Tan, Zheng; Yihuo, Aying; Wu, Zhao; Wang, Fei; Dong, Shunxi; Feng, Xiaoming","Concise synthesis of chiral γ-butenolides <i>via</i> an allylation/lactonization cascade reaction.","Chemical communications (Cambridge, England)","2024","60","61","7926","7929","10.1039/d4cc02781g","","","1.54178","CuKα","","0.0259","0.0257","","","0.0661","0.0664","","","","","","1.095","","","","has coordinates","293715","2024-08-05","17:34:48",""
"7133269","12.4369","0.0002","24.8732","0.0005","25.4913","0.0005","90","","101.228","0.002","90","","7734.7","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C79 H69.5 Cd F12 N8.5 O8 P2 -","- C79 H69.5 Cd F12 N8.5 O8 P2 -","- C316 H278 Cd4 F48 N34 O32 P8 -","4","1","","Wang, Shih-Yu; Lin, Lin-Ting; Rani, Alisha; Lee, Guan-Sian; Chan, Yi-Tsu","Stepwise construction of a metallocatenane based on non-labile bis(terpyridine)-Cd<sup>II</sup> complexes.","Chemical communications (Cambridge, England)","2024","60","61","7914","7917","10.1039/d4cc02919d","","","0.71073","MoKα","","0.1074","0.0747","","","0.1944","0.2114","","","","","","1.125","","","","has coordinates,has disorder","293721","2024-08-05","17:37:49",""
"7133270","8.4111","0.0006","15.3474","0.0011","17.0335","0.0013","90","","96.326","0.002","90","","2185.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 B N3 -","- C26 H28 B N3 -","- C104 H112 B4 N12 -","4","1","","Pattathil, Vignesh; Pranckevicius, Conor","Aromaticity transfer in an annulated 1,4,2-diazaborole: facile access to <i>C</i><sub>s</sub> symmetric 1,4,2,5-diazadiborinines.","Chemical communications (Cambridge, England)","2024","60","60","7705","7708","10.1039/d4cc02414a","","","0.71073","MoKα","","0.0817","0.0523","","","0.1208","0.1379","","","","","","1.019","","","","has coordinates","293703","2024-08-05","17:30:20",""
"7133271","8.9434","0.0006","12.002","0.0008","13.5298","0.0009","105.413","0.002","90.951","0.002","109.556","0.002","1310.34","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H33 B2 N3 -","- C32 H33 B2 N3 -","- C64 H66 B4 N6 -","2","1","","Pattathil, Vignesh; Pranckevicius, Conor","Aromaticity transfer in an annulated 1,4,2-diazaborole: facile access to <i>C</i><sub>s</sub> symmetric 1,4,2,5-diazadiborinines.","Chemical communications (Cambridge, England)","2024","60","60","7705","7708","10.1039/d4cc02414a","","","0.71073","MoKα","","0.0926","0.055","","","0.1285","0.1619","","","","","","1.061","","","","has coordinates","293703","2024-08-05","17:30:36",""
"7133272","11.6929","0.0006","17.5821","0.0009","14.6284","0.0008","90","","104.319","0.002","90","","2914","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H43 B2 N3 -","- C34 H43 B2 N3 -","- C136 H172 B8 N12 -","4","1","","Pattathil, Vignesh; Pranckevicius, Conor","Aromaticity transfer in an annulated 1,4,2-diazaborole: facile access to <i>C</i><sub>s</sub> symmetric 1,4,2,5-diazadiborinines.","Chemical communications (Cambridge, England)","2024","60","60","7705","7708","10.1039/d4cc02414a","","","0.71073","MoKα","","0.1012","0.055","","","0.1201","0.1389","","","","","","1.009","","","","has coordinates","293703","2024-08-05","17:30:38",""
"7133273","13.4867","0.0018","12.7379","0.0017","13.3863","0.0018","90","","90","","90","","2299.7","0.5","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H28 B2 F3 N3 -","- C26 H28 B2 F3 N3 -","- C104 H112 B8 F12 N12 -","4","1","","Pattathil, Vignesh; Pranckevicius, Conor","Aromaticity transfer in an annulated 1,4,2-diazaborole: facile access to <i>C</i><sub>s</sub> symmetric 1,4,2,5-diazadiborinines.","Chemical communications (Cambridge, England)","2024","60","60","7705","7708","10.1039/d4cc02414a","","","0.71073","MoKα","","0.0397","0.0335","","","0.0823","0.0853","","","","","","1.02","","","","has coordinates","293703","2024-08-05","17:30:38",""
"7133274","8.2484","0.0007","8.6731","0.0008","22.3744","0.0019","81.768","0.002","85.754","0.002","62.036","0.002","1399.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H33 B2 Cl2 N3 -","- C32 H33 B2 Cl2 N3 -","- C64 H66 B4 Cl4 N6 -","2","1","","Pattathil, Vignesh; Pranckevicius, Conor","Aromaticity transfer in an annulated 1,4,2-diazaborole: facile access to <i>C</i><sub>s</sub> symmetric 1,4,2,5-diazadiborinines.","Chemical communications (Cambridge, England)","2024","60","60","7705","7708","10.1039/d4cc02414a","","","0.71073","MoKα","","0.1196","0.0667","","","0.1542","0.2009","","","","","","1.114","","","","has coordinates","293703","2024-08-05","17:30:38",""
"7133275","15.6649","0.0012","11.3864","0.0009","15.8645","0.0012","90","","115.787","0.002","90","","2547.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 B2 Cl3 N3 -","- C26 H28 B2 Cl3 N3 -","- C104 H112 B8 Cl12 N12 -","4","1","","Pattathil, Vignesh; Pranckevicius, Conor","Aromaticity transfer in an annulated 1,4,2-diazaborole: facile access to <i>C</i><sub>s</sub> symmetric 1,4,2,5-diazadiborinines.","Chemical communications (Cambridge, England)","2024","60","60","7705","7708","10.1039/d4cc02414a","","","0.71073","MoKα","","0.055","0.0468","","","0.1198","0.1261","","","","","","1.045","","","","has coordinates,has disorder","293703","2024-08-05","17:30:38",""
"7133276","8.0398","0.0006","28.378","0.002","11.9315","0.0009","90","","108.797","0.002","90","","2577","0.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 B I N3 -","- C27 H31 B I N3 -","- C108 H124 B4 I4 N12 -","4","1","","Pattathil, Vignesh; Pranckevicius, Conor","Aromaticity transfer in an annulated 1,4,2-diazaborole: facile access to <i>C</i><sub>s</sub> symmetric 1,4,2,5-diazadiborinines.","Chemical communications (Cambridge, England)","2024","60","60","7705","7708","10.1039/d4cc02414a","","","0.71073","MoKα","","0.0531","0.035","","","0.0666","0.0716","","","","","","1.072","","","","has coordinates","293703","2024-08-05","17:30:38",""
"7133277","21.4089","0.0002","22.319","0.0002","22.5227","0.0002","90","","102.668","0.001","90","","10499.9","0.17","150.01","0.1","150.01","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C94 H162 Be2 Cl2 Li2 N4 O14 Si4 -","- C94 H162 Be2 Cl2 Li2 N4 O14 Si4 -","- C376 H648 Be8 Cl8 Li8 N16 O56 Si16 -","4","1","","Pearce, Kyle G.; Neale, Samuel E.; Mahon, Mary F.; McMullin, Claire L.; Hill, Michael S.","Alkali metal reduction of crown ether encapsulated alkali metal cations.","Chemical communications (Cambridge, England)","2024","60","64","8391","8394","10.1039/d4cc02725f","","x-ray","1.54184","CuKα","","0.047","0.0425","","","0.1115","0.1155","","","","","","1.013","","","","has coordinates,has disorder","294419","2024-09-05","23:11:55",""
"7133278","10.5322","0.0001","21.8852","0.0002","24.244","0.0002","90","","92.113","0.001","90","","5584.43","0.09","150.01","0.1","150.01","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C48 H86 Be Cl K N2 O9 Si2 -","- C48 H86 Be Cl K N2 O9 Si2 -","- C192 H344 Be4 Cl4 K4 N8 O36 Si8 -","4","1","","Pearce, Kyle G.; Neale, Samuel E.; Mahon, Mary F.; McMullin, Claire L.; Hill, Michael S.","Alkali metal reduction of crown ether encapsulated alkali metal cations.","Chemical communications (Cambridge, England)","2024","60","64","8391","8394","10.1039/d4cc02725f","","","1.54184","CuKα","","0.0431","0.0378","","","0.102","0.1068","","","","","","1.024","","","","has coordinates,has disorder","294419","2024-09-05","23:11:55",""
"7133279","15.1421","0.0006","20.7692","0.0007","18.2654","0.0005","90","","91.531","0.003","90","","5742.2","0.3","150.01","0.1","150.01","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50 H90 Be Cl N2 Na O10 Si2 -","- C50 H90 Be Cl N2 Na O10 Si2 -","- C200 H360 Be4 Cl4 N8 Na4 O40 Si8 -","4","1","","Pearce, Kyle G.; Neale, Samuel E.; Mahon, Mary F.; McMullin, Claire L.; Hill, Michael S.","Alkali metal reduction of crown ether encapsulated alkali metal cations.","Chemical communications (Cambridge, England)","2024","60","64","8391","8394","10.1039/d4cc02725f","","x-ray","1.54184","CuKα","","0.1338","0.0862","","","0.2314","0.2734","","","","","","1.027","","","","has coordinates,has disorder","294419","2024-09-05","23:11:55",""
"7133280","16.7051","0.0003","21.103","0.0003","17.1977","0.0003","90","","103.361","0.002","90","","5898.57","0.18","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52.5 H86 Be Cl N2 O6 Rb Si2 -","- C49 H82 Be Cl N2 O6 Rb Si2 -","- C196 H328 Be4 Cl4 N8 O24 Rb4 Si8 -","4","1","","Pearce, Kyle G.; Neale, Samuel E.; Mahon, Mary F.; McMullin, Claire L.; Hill, Michael S.","Alkali metal reduction of crown ether encapsulated alkali metal cations.","Chemical communications (Cambridge, England)","2024","60","64","8391","8394","10.1039/d4cc02725f","","x-ray","1.54184","CuKα","","0.0629","0.0508","","","0.1266","0.1342","","","","","","1.025","","","","has coordinates,has disorder","294419","2024-09-05","23:11:55",""
"7133281","12.1829","0.0001","17.5093","0.0001","29.91","0.0002","90","","96.725","0.001","90","","6336.33","0.08","150","0.1","150","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C58 H94 Be Cl N2 Na O8 Si2 -","- C58 H94 Be Cl N2 Na O8 Si2 -","- C232 H376 Be4 Cl4 N8 Na4 O32 Si8 -","4","1","","Pearce, Kyle G.; Neale, Samuel E.; Mahon, Mary F.; McMullin, Claire L.; Hill, Michael S.","Alkali metal reduction of crown ether encapsulated alkali metal cations.","Chemical communications (Cambridge, England)","2024","60","64","8391","8394","10.1039/d4cc02725f","","x-ray","1.54184","CuKα","","0.0414","0.0368","","","0.1026","0.1065","","","","","","1.038","","","","has coordinates","294419","2024-09-05","23:11:55",""
"7133282","14.9011","0.0003","19.7649","0.0003","18.0278","0.0003","90","","93.633","0.002","90","","5298.86","0.16","149.9","0.7","149.9","0.7","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C46 H82 Be Cl K N2 O8 Si2 -","- C46 H82 Be Cl K N2 O8 Si2 -","- C184 H328 Be4 Cl4 K4 N8 O32 Si8 -","4","2","","Pearce, Kyle G.; Neale, Samuel E.; Mahon, Mary F.; McMullin, Claire L.; Hill, Michael S.","Alkali metal reduction of crown ether encapsulated alkali metal cations.","Chemical communications (Cambridge, England)","2024","60","64","8391","8394","10.1039/d4cc02725f","","x-ray","0.71073","MoKα","","0.0913","0.0598","","","0.1411","0.1601","","","","","","1.041","","","","has coordinates,has disorder","294419","2024-09-05","23:11:55",""
"7133283","9.792","0.002","10.139","0.003","21.399","0.006","90","","90","","90","","2124.5","1","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 N O6 S -","- C24 H21 N O6 S -","- C96 H84 N4 O24 S4 -","4","1","","Yang, Ji Seon; Kim, Sung-Gon","Catalytic enantioselective [3+2] and [4+2]-annulation of cyclic <i>N</i>-sulfonyl ketimines with γ- or δ-hydroxy-α,β-unsaturated ketones.","Chemical communications (Cambridge, England)","2024","60","61","7954","7957","10.1039/d4cc02734e","","","0.71073","MoKα","","0.1003","0.0484","","","0.0844","0.0988","","","","","","1.052","","","","has coordinates","293717","2024-08-05","17:35:15",""
"7133284","8.4145","0.0003","8.4145","0.0003","56.119","0.004","90","","90","","90","","3973.4","0.3","223","2","223","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C21 H21 N O6 S -","- C21 H21 N O6 S -","- C168 H168 N8 O48 S8 -","8","1","","Yang, Ji Seon; Kim, Sung-Gon","Catalytic enantioselective [3+2] and [4+2]-annulation of cyclic <i>N</i>-sulfonyl ketimines with γ- or δ-hydroxy-α,β-unsaturated ketones.","Chemical communications (Cambridge, England)","2024","60","61","7954","7957","10.1039/d4cc02734e","","","0.71073","MoKα","","0.1172","0.047","","","0.0918","0.1172","","","","","","1.052","","","","has coordinates","293717","2024-08-05","17:35:15",""
"7133285","17.7258","0.0004","16.513","0.0002","19.8168","0.0004","90","","104.405","0.002","90","","5618.14","0.19","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H51 Os Ta -","- C25 H51 Os Ta -","- C200 H408 Os8 Ta8 -","8","1","","Lachguar, Abdelhak; Ye, Christopher Z.; Kelly, Sheridon N.; Jeanneau, Erwann; Del Rosal, Iker; Maron, Laurent; Veyre, Laurent; Thieuleux, Chloé; Arnold, John; Camp, Clément","CO<sub>2</sub> cleavage by tantalum/M (M = iridium, osmium) heterobimetallic complexes.","Chemical communications (Cambridge, England)","2024","60","61","7878","7881","10.1039/d4cc02207f","","x-ray","0.71073","MoKα","","0.0188","0.0165","","","0.0337","0.0342","","","","","","1.094","","","","has coordinates","293724","2024-08-05","17:38:31",""
"7133286","8.149","0.0002","11.0276","0.0002","13.2481","0.0002","90","","101.769","0.002","90","","1165.5","0.04","100","0.3","100","0.3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H18 O Os -","- C11 H18 O Os -","- C44 H72 O4 Os4 -","4","1","","Lachguar, Abdelhak; Ye, Christopher Z.; Kelly, Sheridon N.; Jeanneau, Erwann; Del Rosal, Iker; Maron, Laurent; Veyre, Laurent; Thieuleux, Chloé; Arnold, John; Camp, Clément","CO<sub>2</sub> cleavage by tantalum/M (M = iridium, osmium) heterobimetallic complexes.","Chemical communications (Cambridge, England)","2024","60","61","7878","7881","10.1039/d4cc02207f","","x-ray","0.71073","MoKα","","0.0231","0.0212","","","0.0497","0.0503","","","","","","1.126","","","","has coordinates","293724","2024-08-05","17:38:32",""
"7133287","7.7485","0.0004","10.1105","0.0005","12.1657","0.0006","103.064","0.001","92.24","0.001","112.226","0.001","851.18","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 Co N12 O6 S4 -","- C30 H22 Co N12 O6 S4 -","- C30 H22 Co N12 O6 S4 -","1","0.5","","Shekhawat, Bhawana; Gahlaut, Puneet Singh; Gautam, Deepak; Jana, Barun","<i>N</i>-Alkylation of amines with primary/secondary alcohols using a novel cobalt(II) inverse triazolyl-pyridine complex.","Chemical communications (Cambridge, England)","2024","60","65","8581","8584","10.1039/d4cc01996b","","","0.71073","MoKα","","0.039","0.0342","","","0.115","0.1226","","","","","","0.944","","","","has coordinates","294443","2024-09-05","23:20:15",""
"7133288","10.6593","0.0004","11.0723","0.0005","11.354","0.0005","90.428","0.004","111.448","0.004","105.959","0.004","1190.4","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 N O5 S -","- C25 H27 N O5 S -","- C50 H54 N2 O10 S2 -","2","1","","Li, Meng-Ru; Zheng, Meng-Yao; Wang, Dong-Chao; Guo, Hai-Ming","Pd-catalyzed 5-<i>exo-dig</i> cyclization/etherification cascade of <i>N</i>-propargyl arylamines for the synthesis of polysubstituted furans.","Chemical communications (Cambridge, England)","2024","60","60","7721","7724","10.1039/d4cc02255f","","x-ray","1.54184","CuKα","","0.0541","0.0478","","","0.1297","0.1349","","","","","","1.057","","","","has coordinates","293702","2024-08-05","17:29:56",""
"7133289","29.2","0.002","8.5804","0.0006","28.6903","0.0018","90","","93.068","0.003","90","","7178","0.8","297","2","297","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H66 Br8 Cl4 N12 O Pd4 -","- C56 H66 Br8 Cl4 N12 O Pd4 -","- C224 H264 Br32 Cl16 N48 O4 Pd16 -","4","0.5","","Kumar, Shashi; Singh, Dushyant; Rit, Arnab","Cooperativity between metal centers in homobimetallic Pd<sup>II</sup>-NHC complexes: catalytic potential towards hydrodefluorination.","Chemical communications (Cambridge, England)","2024","60","60","7761","7764","10.1039/d4cc02185a","","","0.71073","MoKα","","0.0426","0.0342","","","0.0914","0.0972","","","","","","1.078","","","","has coordinates","293707","2024-08-05","17:32:10",""
"7133290","9.959","0.002","10.779","0.004","18.206","0.006","81.921","0.018","74.267","0.017","88.188","0.015","1862.4","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H59 B N4 -","- C41 H59 B N4 -","- C82 H118 B2 N8 -","2","1","","Witte, Robert; Kar, Sourav; Radacki, Krzysztof; Härterich, Marcel; Rang, Maximilian; Michel, Maximilian; Mihm, Cornelius; Czernetzki, Corinna; Brückner, Tobias; Beck, Eva; Lutz, Sarah; Dewhurst, Rian D.; Braunschweig, Holger","Transition-metal-like coordination chemistry of dicoordinate borylenes with organic azides.","Chemical communications (Cambridge, England)","2024","60","65","8629","8632","10.1039/d4cc02923b","","","0.71073","MoKα","","0.0715","0.0474","","","0.0991","0.1126","","","","","","1.035","","","","has coordinates,has disorder","294453","2024-09-05","23:22:42",""
"7133291","10.1623","0.0001","10.4669","0.0001","17.7919","0.0003","80.944","0.001","74.936","0.001","71.058","0.001","1722.96","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H56 B N5 O -","- C36 H56 B N5 O -","- C72 H112 B2 N10 O2 -","2","1","","Witte, Robert; Kar, Sourav; Radacki, Krzysztof; Härterich, Marcel; Rang, Maximilian; Michel, Maximilian; Mihm, Cornelius; Czernetzki, Corinna; Brückner, Tobias; Beck, Eva; Lutz, Sarah; Dewhurst, Rian D.; Braunschweig, Holger","Transition-metal-like coordination chemistry of dicoordinate borylenes with organic azides.","Chemical communications (Cambridge, England)","2024","60","65","8629","8632","10.1039/d4cc02923b","","x-ray","1.54184","CuKα","K-L~2,3~","0.0709","0.0665","","","0.202","0.2075","","","","","","1.115","","","","has coordinates","294453","2024-09-05","23:22:43",""
"7133292","13.3291","0.0001","13.6009","0.0002","18.6157","0.0003","90","","92.442","0.001","90","","3371.73","0.08","100","2","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H54 B N5 -","- C35 H54 B N5 -","- C140 H216 B4 N20 -","4","1","","Witte, Robert; Kar, Sourav; Radacki, Krzysztof; Härterich, Marcel; Rang, Maximilian; Michel, Maximilian; Mihm, Cornelius; Czernetzki, Corinna; Brückner, Tobias; Beck, Eva; Lutz, Sarah; Dewhurst, Rian D.; Braunschweig, Holger","Transition-metal-like coordination chemistry of dicoordinate borylenes with organic azides.","Chemical communications (Cambridge, England)","2024","60","65","8629","8632","10.1039/d4cc02923b","","","1.54184","CuKα","","0.1078","0.0787","","","0.2319","0.2601","","","","","","1.121","","","","has coordinates","294453","2024-09-05","23:22:43",""
"7133293","23.6475","0.0004","15.5802","0.0003","18.9468","0.0002","90","","93.614","0.001","90","","6966.74","0.19","100","2","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H52 B Cl2 N5 -","- C35 H52 B Cl2 N5 -","- C280 H416 B8 Cl16 N40 -","8","2","","Witte, Robert; Kar, Sourav; Radacki, Krzysztof; Härterich, Marcel; Rang, Maximilian; Michel, Maximilian; Mihm, Cornelius; Czernetzki, Corinna; Brückner, Tobias; Beck, Eva; Lutz, Sarah; Dewhurst, Rian D.; Braunschweig, Holger","Transition-metal-like coordination chemistry of dicoordinate borylenes with organic azides.","Chemical communications (Cambridge, England)","2024","60","65","8629","8632","10.1039/d4cc02923b","","","1.54184","CuKα","","0.0551","0.0484","","","0.1484","0.153","","","","","","1.113","","","","has coordinates","294453","2024-09-05","23:22:43",""
"7133294","10.802","0.0002","12.3555","0.0003","13.8232","0.0002","76.108","0.002","79.11","0.002","68.167","0.002","1652.28","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H54 B N5 -","- C35 H54 B N5 -","- C70 H108 B2 N10 -","2","1","","Witte, Robert; Kar, Sourav; Radacki, Krzysztof; Härterich, Marcel; Rang, Maximilian; Michel, Maximilian; Mihm, Cornelius; Czernetzki, Corinna; Brückner, Tobias; Beck, Eva; Lutz, Sarah; Dewhurst, Rian D.; Braunschweig, Holger","Transition-metal-like coordination chemistry of dicoordinate borylenes with organic azides.","Chemical communications (Cambridge, England)","2024","60","65","8629","8632","10.1039/d4cc02923b","","x-ray","1.54184","CuKα","K-L~2,3~","0.0678","0.0601","","","0.1604","0.1659","","","","","","1.05","","","","has coordinates","294453","2024-09-05","23:22:43",""
"7133295","9.6634","0.0002","19.2539","0.0002","18.6478","0.0003","90","","103.619","0.002","90","","3372.02","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H56 B N5 O -","- C36 H56 B N5 O -","- C144 H224 B4 N20 O4 -","4","1","","Witte, Robert; Kar, Sourav; Radacki, Krzysztof; Härterich, Marcel; Rang, Maximilian; Michel, Maximilian; Mihm, Cornelius; Czernetzki, Corinna; Brückner, Tobias; Beck, Eva; Lutz, Sarah; Dewhurst, Rian D.; Braunschweig, Holger","Transition-metal-like coordination chemistry of dicoordinate borylenes with organic azides.","Chemical communications (Cambridge, England)","2024","60","65","8629","8632","10.1039/d4cc02923b","","x-ray","1.54184","CuKα","K-L~2,3~","0.0753","0.0611","","","0.165","0.1752","","","","","","1.052","","","","has coordinates,has disorder","294453","2024-09-05","23:22:43",""
"7133296","10.5315","0.0002","16.4623","0.0003","23.1574","0.0005","90","","96.209","0.001","90","","3991.31","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H65 B N4 -","- C44 H65 B N4 -","- C176 H260 B4 N16 -","4","1","","Witte, Robert; Kar, Sourav; Radacki, Krzysztof; Härterich, Marcel; Rang, Maximilian; Michel, Maximilian; Mihm, Cornelius; Czernetzki, Corinna; Brückner, Tobias; Beck, Eva; Lutz, Sarah; Dewhurst, Rian D.; Braunschweig, Holger","Transition-metal-like coordination chemistry of dicoordinate borylenes with organic azides.","Chemical communications (Cambridge, England)","2024","60","65","8629","8632","10.1039/d4cc02923b","","","0.71073","MoKα","","0.0708","0.0462","","","0.1061","0.1208","","","","","","1.033","","","","has coordinates,has disorder","294453","2024-09-05","23:22:43",""
"7133297","22.0728","0.0013","27.5087","0.0014","27.5493","0.0015","86.596","0.002","78.05","0.002","88.55","0.002","16334.9","1.6","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C240 H152 Au28 Cl48 Cu12 P4 S24 -","- C240 H152 Au28 Cl48 Cu12 P4 S24 -","- C480 H304 Au56 Cl96 Cu24 P8 S48 -","2","1","","Tang, Shisi; Song, Tongxin; Cai, Xiao; Ding, Weiping; Zhu, Yan","Nitrate electroreduction to ammonia catalysed by atomically precise Au<sub>28</sub>Cu<sub>12</sub> clusters.","Chemical communications (Cambridge, England)","2024","60","60","7785","7788","10.1039/d4cc02085e","","x-ray","0.71073","MoKα","","0.1293","0.0907","","","0.22","0.2435","","","","","","1.212","","","","has coordinates","293706","2024-08-05","17:31:55",""
"7133298","19.622","0.0011","39.5629","0.0018","26.1094","0.0012","90","","91.255","0.003","90","","20263.9","1.7","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C162 H243 Cu28 P3 S18 -","- C162 H243 Cu28 P3 S18 -","- C648 H972 Cu112 P12 S72 -","4","1","","Tang, Shisi; Song, Tongxin; Cai, Xiao; Ding, Weiping; Zhu, Yan","Nitrate electroreduction to ammonia catalysed by atomically precise Au<sub>28</sub>Cu<sub>12</sub> clusters.","Chemical communications (Cambridge, England)","2024","60","60","7785","7788","10.1039/d4cc02085e","","x-ray","1.54178","CuKα","","0.1626","0.1083","","","0.2575","0.2931","","","","","","0.985","","","","has coordinates","293706","2024-08-05","17:31:56",""
"7133299","11.118","0.0001","20.6674","0.0001","21.7121","0.0002","90","","98.029","0.001","90","","4940.1","0.07","85","","85","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H41 Cl2 F9 N6 Ni2 O10 S3 -","- C40 H41 Cl2 F9 N6 Ni2 O10 S3 -","- C160 H164 Cl8 F36 N24 Ni8 O40 S12 -","4","1","","Lillo, Hayley L.; Buss, Joshua A.","A dinuclear nickel peroxycarbonate complex: CO<sub>2</sub> addition promotes H<sub>2</sub>O<sub>2</sub> release.","Chemical communications (Cambridge, England)","2024","60","65","8549","8552","10.1039/d4cc02241f","","x-ray","1.54184","CuKα","","0.0449","0.0443","","","0.1105","0.1116","","","","","","1.114","","","","has coordinates,has disorder","294454","2024-09-05","23:23:18",""
"7133300","10.2519","0.0003","11.2496","0.0004","21.492","0.0007","77.624","0.003","79.248","0.003","80.429","0.003","2357.88","0.14","85","","85","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H57 F3 N6 Ni2 O17 S -","- C38 H45.0006 F3 N6 Ni2 O11 S -","- C76 H90.0012 F6 N12 Ni4 O22 S2 -","2","1","","Lillo, Hayley L.; Buss, Joshua A.","A dinuclear nickel peroxycarbonate complex: CO<sub>2</sub> addition promotes H<sub>2</sub>O<sub>2</sub> release.","Chemical communications (Cambridge, England)","2024","60","65","8549","8552","10.1039/d4cc02241f","","x-ray","1.54184","CuKα","","0.1015","0.0798","","","0.2199","0.2531","","","","","","1.055","","","","has coordinates,has disorder","294454","2024-09-05","23:23:19",""
"7133301","13.7338","0.0004","18.9753","0.0005","33.797","0.0012","90","","90","","90","","8807.6","0.5","85","","85","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C74 H82 F6 N12 Ni4 O12 S2 -","- C74 H82 F6 N12 Ni4 O12 S2 -","- C296 H328 F24 N48 Ni16 O48 S8 -","4","1","","Lillo, Hayley L.; Buss, Joshua A.","A dinuclear nickel peroxycarbonate complex: CO<sub>2</sub> addition promotes H<sub>2</sub>O<sub>2</sub> release.","Chemical communications (Cambridge, England)","2024","60","65","8549","8552","10.1039/d4cc02241f","","x-ray","1.54178","CuKα","","0.089","0.0795","","","0.2111","0.2216","","","","","","1.049","","","","has coordinates,has disorder","294454","2024-09-05","23:23:19",""
"7133302","16.1401","0.0009","32.5762","0.0009","17.5728","0.0006","90","","111.887","0.005","90","","8573.5","0.7","85","","85","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C76 H82 F6 N12 Ni4 O16 S2 -","- C76 H82 F6 N12 Ni4 O16 S2 -","- C304 H328 F24 N48 Ni16 O64 S8 -","4","1","","Lillo, Hayley L.; Buss, Joshua A.","A dinuclear nickel peroxycarbonate complex: CO<sub>2</sub> addition promotes H<sub>2</sub>O<sub>2</sub> release.","Chemical communications (Cambridge, England)","2024","60","65","8549","8552","10.1039/d4cc02241f","","x-ray","1.54178","CuKα","","0.1623","0.1345","","","0.3526","0.3756","","","","","","1.022","","","","has coordinates,has disorder","294454","2024-09-05","23:23:19",""
"7133303","14.8254","0.0006","13.4214","0.0005","11.2282","0.0005","90","","93.113","0.001","90","","2230.86","0.16","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H23 N2 O2 P -","- C29 H23 N2 O2 P -","- C116 H92 N8 O8 P4 -","4","1","","Huang, Jun; Ban, Caijin; Qin, Jiangping; Xu, Jiali; Gu, Yunqiong; Wei, Liang; Yuan, Jing-Mei; Huang, Guobao","Visible-light promoted radical cascade cyclization of 3-allyl-2-arylquinazolinones for the synthesis of phosphorylated dihydroisoquinolino[1,2-<i>b</i>]quinazolinones.","Chemical communications (Cambridge, England)","2024","60","62","8119","8122","10.1039/d4cc02915a","","","0.71073","MoKα","","0.0866","0.0687","","","0.1478","0.1585","","","","","","1.136","","","","has coordinates,has disorder","293701","2024-08-05","17:29:41",""
"7133304","10.894","0.0003","11.6371","0.0003","17.3041","0.0002","86.498","0.002","73.235","0.002","66.584","0.002","1923.91","0.08","99.96","0.12","99.96","0.12","","","","","","","","5","P -1","-P 1","2","","","","- C39 H51 Cl2 N2 P2 -","- C39 H51 Cl2 N2 P2 -","- C78 H102 Cl4 N4 P4 -","2","1","","Haberstroh, Jan; Taube, Clemens; Fidelius, Jannis; Schulz, Stephen; Israel, Noel; Dmitrieva, Evgenia; Gomila, Rosa M.; Frontera, Antonio; Wolf, Robert; Schwedtmann, Kai; Weigand, Jan J.","A neutral diphosphene radical: synthesis, electronic structure and white phosphorus activation.","Chemical communications (Cambridge, England)","2024","60","65","8537","8540","10.1039/d4cc02200a","","x-ray","1.54184","CuKα","","0.0426","0.0421","","","0.1139","0.1143","","","","","","1.053","","","","has coordinates","294445","2024-09-05","23:20:39",""
"7133305","14.6385","0.0001","34.7552","0.0003","18.1897","0.0002","90","","109.167","0.001","90","","8741.26","0.15","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C88 H126 Cl4 N4 O2 P4 -","- C88 H126 Cl4 N4 O2 P4 -","- C352 H504 Cl16 N16 O8 P16 -","4","0.5","","Haberstroh, Jan; Taube, Clemens; Fidelius, Jannis; Schulz, Stephen; Israel, Noel; Dmitrieva, Evgenia; Gomila, Rosa M.; Frontera, Antonio; Wolf, Robert; Schwedtmann, Kai; Weigand, Jan J.","A neutral diphosphene radical: synthesis, electronic structure and white phosphorus activation.","Chemical communications (Cambridge, England)","2024","60","65","8537","8540","10.1039/d4cc02200a","","x-ray","1.54184","CuKα","","0.0455","0.0415","","","0.093","0.0954","","","","","","1.041","","","","has coordinates,has disorder","294445","2024-09-05","23:20:41",""
"7133306","22.3963","0.0001","24.8472","0.0001","15.6004","0.0001","90","","96.933","0.001","90","","8617.92","0.08","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H107 Cl4 F N4 P8 -","- C84 H107 Cl4 F N4 P8 -","- C336 H428 Cl16 F4 N16 P32 -","4","1","","Haberstroh, Jan; Taube, Clemens; Fidelius, Jannis; Schulz, Stephen; Israel, Noel; Dmitrieva, Evgenia; Gomila, Rosa M.; Frontera, Antonio; Wolf, Robert; Schwedtmann, Kai; Weigand, Jan J.","A neutral diphosphene radical: synthesis, electronic structure and white phosphorus activation.","Chemical communications (Cambridge, England)","2024","60","65","8537","8540","10.1039/d4cc02200a","","x-ray","1.54184","CuKα","","0.0542","0.0474","","","0.1241","0.129","","","","","","1.022","","","","has coordinates,has disorder","294445","2024-09-05","23:20:41",""
"7133307","8.0263","0.0014","8.9753","0.0015","13.924","0.003","95.081","0.005","93.392","0.005","92.034","0.005","996.5","0.3","293","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H8 N4 O9 Zn -","- C16 H8 N4 O9 Zn -","- C32 H16 N8 O18 Zn2 -","2","1","","Dinda, Susanta; Deb, Sourav; Mahato, Bidyadhar; Baitalik, Sujoy; Ghoshal, Debajyoti","Visual detection and efficient capture of hydrogen chloride and ammonia vapours by a sustainable dual emissive metal-organic framework.","Chemical communications (Cambridge, England)","2024","60","64","8466","8469","10.1039/d4cc02646b","","","0.71073","MoKα","","0.0494","0.0434","","","0.1292","0.1352","","","","","","1.091","","","","has coordinates","294420","2024-09-05","23:12:09",""
"7133308","11.8103","0.0001","12.5965","0.0002","13.3862","0.0002","80.395","0.001","84.225","0.001","78.443","0.001","1919.06","0.05","123","2","123.15","","","","","","","","","6","P -1","-P 1","2","Cd-4TPHAP-1","","","- C53.67 H34.45 Cd2 Cl2 N18 O22.05 -","- C53.6746 H34.454 Cd2 Cl2 N18 O22.0578 -","- C53.6746 H34.454 Cd2 Cl2 N18 O22.0578 -","1","0.5","","Jiang, Qiao; Suzuki, Hiroaki; Wada, Yuki; Wang, Xiaohan; Murakami, Yoichi; Matsumoto, Takaya; Usov, Pavel M.; Kawano, Masaki","Magnetic and thermodynamic control of coordination network crystallization using a hexaazaphenalene-based ligand.","Chemical communications (Cambridge, England)","2024","60","63","8236","8239","10.1039/d4cc01951b","","x-ray","1.54184","CuKα","","0.0557","0.0522","","","0.1464","0.15","","","","","","1.055","","","","has coordinates,has disorder","293693","2024-08-05","17:25:48",""
"7133309","30.3621","0.0003","7.9636","0.0001","28.193","0.0002","90","","90","","90","","6816.83","0.12","123","2","123.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","Cd-4TPHAP","","","- C49.22 H31.49 Cd N18 O16.9 -","- C49.213 H31.485 Cd N18 O16.88 -","- C196.852 H125.94 Cd4 N72 O67.52 -","4","1","","Jiang, Qiao; Suzuki, Hiroaki; Wada, Yuki; Wang, Xiaohan; Murakami, Yoichi; Matsumoto, Takaya; Usov, Pavel M.; Kawano, Masaki","Magnetic and thermodynamic control of coordination network crystallization using a hexaazaphenalene-based ligand.","Chemical communications (Cambridge, England)","2024","60","63","8236","8239","10.1039/d4cc01951b","","x-ray","1.54184","CuKα","","0.0608","0.0539","","","0.1509","0.1593","","","","","","1.036","","","","has coordinates,has disorder","293693","2024-08-05","17:25:49",""
"7133310","11.5884","0.001","17.221","0.0016","18.536","0.0017","69.558","0.003","80.011","0.003","82.655","0.003","3404.5","0.5","100","","100","","","","","","","","see text","4","P -1","-P 1","2","","","","- C29 H62 N3 Si3 -","- C29 H62 N3 Si3 -","- C116 H248 N12 Si12 -","4","2","","Kiefer, Fiona J.; Kostenko, Arseni; Holzner, Richard; Inoue, Shigeyoshi","A neutral crystalline imino-substituted silyl radical.","Chemical communications (Cambridge, England)","2024","60","65","8577","8580","10.1039/d4cc02167c","","x-ray","0.71073","MoKα","","0.0443","0.038","","","0.095","0.0996","","","","","","1.138","","","","has coordinates,has disorder","294449","2024-09-05","23:21:24",""
"7133311","6.84","0.01","11.12","0.016","24.67","0.04","90","","90","","90","","1876","5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 N2 O3 -","- C23 H18 N2 O3 -","- C92 H72 N8 O12 -","4","1","","Purkait, Anisha; Pal, Surya Veer Singh; Soni, Kaushik; Bhattacharyya, Kalishankar; Jana, Chandan K.","Nitroso-azomethine(ene) reaction enabled annulations of nitrosoarenes, azomethines and alkenes.","Chemical communications (Cambridge, England)","2024","60","65","8541","8544","10.1039/d4cc02117g","","","0.71073","MoKα","","0.2613","0.0776","","","0.1597","0.2428","","","","","","0.904","","","","has coordinates","294447","2024-09-05","23:21:01",""
"7133312","17.3438","0.0004","7.4997","0.0002","23.1443","0.0006","90","","91.611","0.002","90","","3009.27","0.13","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H37 P S2 Si3 -","- C28 H37 P S2 Si3 -","- C112 H148 P4 S8 Si12 -","4","1","","Ishida, Shintaro; Yoshida, Yusuke; Iwamoto, Takeaki","Metal-catalyzed valence isomerization of a methylene(thioxo)phosphorane to a thiaphosphirane.","Chemical communications (Cambridge, England)","2024","60","63","8288","8291","10.1039/d4cc02147a","","","0.71073","MoKα","","0.0507","0.0471","","","0.1159","0.1184","","","","","","1.089","","","","has coordinates,has disorder","293690","2024-08-05","17:24:43",""
"7133313","16.1335","0.0005","13.1016","0.0003","16.7859","0.0004","90","","91.24","0.002","90","","3547.28","0.16","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H48 Cl P Si4 -","- C36 H48 Cl P Si4 -","- C144 H192 Cl4 P4 Si16 -","4","1","","Ishida, Shintaro; Yoshida, Yusuke; Iwamoto, Takeaki","Metal-catalyzed valence isomerization of a methylene(thioxo)phosphorane to a thiaphosphirane.","Chemical communications (Cambridge, England)","2024","60","63","8288","8291","10.1039/d4cc02147a","","","0.71073","MoKα","","0.0573","0.0513","","","0.1226","0.1255","","","","","","1.113","","","","has coordinates,has disorder","293690","2024-08-05","17:24:53",""
"7133314","13.1508","0.0002","9.7019","0.0001","22.7273","0.0003","90","","101.809","0.002","90","","2838.35","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H37 P S Si3 -","- C28 H37 P S Si3 -","- C112 H148 P4 S4 Si12 -","4","1","","Ishida, Shintaro; Yoshida, Yusuke; Iwamoto, Takeaki","Metal-catalyzed valence isomerization of a methylene(thioxo)phosphorane to a thiaphosphirane.","Chemical communications (Cambridge, England)","2024","60","63","8288","8291","10.1039/d4cc02147a","","x-ray","0.71073","MoKα","","0.0306","0.0261","","","0.0675","0.0706","","","","","","1.026","","","","has coordinates","293690","2024-08-05","17:24:57",""
"7133315","13.2702","0.0003","12.96","0.0002","17.3599","0.0003","90","","107.126","0.002","90","","2853.2","0.1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H37 P S Si3 -","- C28 H37 P S Si3 -","- C112 H148 P4 S4 Si12 -","4","1","","Ishida, Shintaro; Yoshida, Yusuke; Iwamoto, Takeaki","Metal-catalyzed valence isomerization of a methylene(thioxo)phosphorane to a thiaphosphirane.","Chemical communications (Cambridge, England)","2024","60","63","8288","8291","10.1039/d4cc02147a","","","0.71073","MoKα","","0.0317","0.0296","","","0.0802","0.0818","","","","","","1.035","","","","has coordinates","293690","2024-08-05","17:25:09",""
"7133316","13.8756","0.0001","20.1815","0.0001","25.941","0.0002","88.525","0.001","87.728","0.001","75.68","0.001","7032.08","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H37 Au F5 P S Si3 -","- C34 H37 Au F5 P S Si3 -","- C272 H296 Au8 F40 P8 S8 Si24 -","8","4","","Ishida, Shintaro; Yoshida, Yusuke; Iwamoto, Takeaki","Metal-catalyzed valence isomerization of a methylene(thioxo)phosphorane to a thiaphosphirane.","Chemical communications (Cambridge, England)","2024","60","63","8288","8291","10.1039/d4cc02147a","","x-ray","0.71073","MoKα","","0.0431","0.0293","","","0.0549","0.0576","","","","","","1.019","","","","has coordinates","293690","2024-08-05","17:25:10",""
"7133317","8.1505","0.0005","11.3913","0.0008","20.8223","0.0013","90","","92.329","0.002","90","","1931.6","0.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C53 H28 Cl2 N2 O4 -","- C53 H28 Cl2 N2 O4 -","- C106 H56 Cl4 N4 O8 -","2","1","","Wang, Yuxiang; Liao, Qi; Feng, Yabin; Wang, Yiran; Li, Yunzhi; Meng, Qi","Synthesis and resolution of multi-chiral carbonyl-N embedded hetero[7]helicenes for efficient circularly polarized luminescence.","Chemical communications (Cambridge, England)","2024","60","63","8292","8295","10.1039/d4cc02747g","","","0.71073","MoKα","","0.0922","0.0589","","","0.1223","0.1453","","","","","","1.051","","","","has coordinates","293688","2024-08-05","17:24:02",""
"7133318","13.1642","0.0013","13.1642","0.0013","48.25","0.006","90","","90","","120","","7241.3","1.4","100","","100","","","","","","","","","4","P 61","P 61","169","","","","- C64 H54 N2 O4 -","- C64 H54 N2 O4 -","- C384 H324 N12 O24 -","6","1","","Wang, Yuxiang; Liao, Qi; Feng, Yabin; Wang, Yiran; Li, Yunzhi; Meng, Qi","Synthesis and resolution of multi-chiral carbonyl-N embedded hetero[7]helicenes for efficient circularly polarized luminescence.","Chemical communications (Cambridge, England)","2024","60","63","8292","8295","10.1039/d4cc02747g","","","0.71073","MoKα","","0.1582","0.0754","","","0.1612","0.2032","","","","","","0.991","","","","has coordinates,has disorder","293688","2024-08-05","17:24:03",""
"7133319","11.1034","0.0004","11.1882","0.0005","12.5867","0.0005","70.9583","0.0019","87.9029","0.0019","71.6281","0.0018","1398.89","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H30 N2 O5 -","- C35 H30 N2 O5 -","- C70 H60 N4 O10 -","2","1","","Yadav, Suresh Kumar; Jeganmohan, Masilamani","Co(III)-catalyzed regioselective benzannulation of substituted pyridones with 1,6-diynes <i>via</i> dual C-H bond activation.","Chemical communications (Cambridge, England)","2024","60","63","8296","8299","10.1039/d4cc01904k","","","0.71073","MoKα","","0.0886","0.0483","","","0.1074","0.1245","","","","","","1.136","","","","has coordinates","293692","2024-08-05","17:25:34",""
"7133320","10.8476","0.0004","10.0967","0.0004","15.5113","0.0005","90","","94.807","0.003","90","","1692.9","0.11","150","2","149.9","0.7","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 Li2 O4 -","- C40 H42 Li2 O4 -","- C80 H84 Li4 O8 -","2","0.5","","Katzer, Nicholas J.; Kaur, Mandeep; Sen, Asmita; Nimaiyar, Rupal; Autschbach, Jochen; Arnold, Polly L.; Hintermair, Ulrich","Tetraphenylpentalenide organolanthanide complexes.","Chemical communications (Cambridge, England)","2024","60","72","9749","9752","10.1039/d4cc02570a","","x-ray","0.71073","MoKα","","0.0752","0.0557","","","0.1275","0.1384","","","","","","1.027","","","","has coordinates,has disorder","295157","2024-10-06","06:25:54",""
"7133321","11.1442","0.0001","13.0688","0.0001","16.746","0.0001","90","","106.828","0.001","90","","2334.47","0.03","200","0.1","200","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H62 K2 O8 -","- C48 H62 K2 O8 -","- C96 H124 K4 O16 -","2","0.5","","Katzer, Nicholas J.; Kaur, Mandeep; Sen, Asmita; Nimaiyar, Rupal; Autschbach, Jochen; Arnold, Polly L.; Hintermair, Ulrich","Tetraphenylpentalenide organolanthanide complexes.","Chemical communications (Cambridge, England)","2024","60","72","9749","9752","10.1039/d4cc02570a","","x-ray","1.54184","CuKα","","0.0362","0.0347","","","0.098","0.0995","","","","","","1.103","","","","has coordinates,has disorder","295157","2024-10-06","06:25:54",""
"7133322","11.0913","0.0001","13.2818","0.0001","15.8392","0.0001","90","","105.146","0.001","90","","2252.26","0.03","199.98","0.1","199.98","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H62 Na2 O8 -","- C48 H62 Na2 O8 -","- C96 H124 Na4 O16 -","2","0.5","","Katzer, Nicholas J.; Kaur, Mandeep; Sen, Asmita; Nimaiyar, Rupal; Autschbach, Jochen; Arnold, Polly L.; Hintermair, Ulrich","Tetraphenylpentalenide organolanthanide complexes.","Chemical communications (Cambridge, England)","2024","60","72","9749","9752","10.1039/d4cc02570a","","x-ray","1.54184","CuKα","","0.046","0.0432","","","0.1089","0.111","","","","","","1.05","","","","has coordinates","295157","2024-10-06","06:25:54",""
"7133323","10.2856","0.0001","13.0071","0.0002","25.713","0.0003","80.814","0.001","88.212","0.001","78.113","0.001","3323.09","0.07","99.98","0.12","99.98","0.12","","","","","","","","5","P -1","-P 1","2","","","","- C83.7 H83.7 Ce K O4.7 -","- C83.699 H83.699 Ce K O4.699 -","- C167.398 H167.398 Ce2 K2 O9.398 -","2","1","","Katzer, Nicholas J.; Kaur, Mandeep; Sen, Asmita; Nimaiyar, Rupal; Autschbach, Jochen; Arnold, Polly L.; Hintermair, Ulrich","Tetraphenylpentalenide organolanthanide complexes.","Chemical communications (Cambridge, England)","2024","60","72","9749","9752","10.1039/d4cc02570a","","x-ray","1.54184","CuKα","","0.0476","0.0449","","","0.1089","0.1102","","","","","","1.048","","","","has coordinates,has disorder","295157","2024-10-06","06:25:54",""
"7133324","15.8469","0.0001","10.1787","0.0001","21.4308","0.0002","90","","94.056","0.001","90","","3448.15","0.05","100","0.11","100","0.11","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C80 H84 Ce K O8 -","- C80 H84 Ce K O8 -","- C160 H168 Ce2 K2 O16 -","2","0.5","","Katzer, Nicholas J.; Kaur, Mandeep; Sen, Asmita; Nimaiyar, Rupal; Autschbach, Jochen; Arnold, Polly L.; Hintermair, Ulrich","Tetraphenylpentalenide organolanthanide complexes.","Chemical communications (Cambridge, England)","2024","60","72","9749","9752","10.1039/d4cc02570a","","x-ray","1.54184","CuKα","","0.0348","0.0334","","","0.0796","0.0803","","","","","","1.073","","","","has coordinates","295157","2024-10-06","06:25:54",""
"7133325","15.6241","0.0001","10.2214","0.0001","21.5624","0.0002","90","","94.643","0.001","90","","3432.22","0.05","100","0.11","100","0.11","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C80 H84 K O8 Tb -","- C80 H84 K O8 Tb -","- C160 H168 K2 O16 Tb2 -","2","0.5","","Katzer, Nicholas J.; Kaur, Mandeep; Sen, Asmita; Nimaiyar, Rupal; Autschbach, Jochen; Arnold, Polly L.; Hintermair, Ulrich","Tetraphenylpentalenide organolanthanide complexes.","Chemical communications (Cambridge, England)","2024","60","72","9749","9752","10.1039/d4cc02570a","","x-ray","1.54184","CuKα","","0.0336","0.0325","","","0.082","0.0827","","","","","","1.051","","","","has coordinates","295157","2024-10-06","06:25:54",""
"7133326","10.33655","0.00009","25.4845","0.0002","23.3833","0.0002","90","","96.3298","0.0008","90","","6122.12","0.09","150","2","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H74 Li O6 Y -","- C76 H74 Li O6 Y -","- C304 H296 Li4 O24 Y4 -","4","1","","Katzer, Nicholas J.; Kaur, Mandeep; Sen, Asmita; Nimaiyar, Rupal; Autschbach, Jochen; Arnold, Polly L.; Hintermair, Ulrich","Tetraphenylpentalenide organolanthanide complexes.","Chemical communications (Cambridge, England)","2024","60","72","9749","9752","10.1039/d4cc02570a","","x-ray","1.54184","CuKα","","0.0455","0.0413","","","0.1057","0.1096","","","","","","1.058","","","","has coordinates,has disorder","295157","2024-10-06","06:25:54",""
"7133327","14.8775","0.0004","21.4215","0.0008","37.4724","0.0011","90","","90","","90","","11942.4","0.7","150","2","150","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C100 H116 Cl6 Mg2 O9 Y2 -","- C100 H116 Cl6 Mg2 O9 Y2 -","- C400 H464 Cl24 Mg8 O36 Y8 -","4","0.5","","Katzer, Nicholas J.; Kaur, Mandeep; Sen, Asmita; Nimaiyar, Rupal; Autschbach, Jochen; Arnold, Polly L.; Hintermair, Ulrich","Tetraphenylpentalenide organolanthanide complexes.","Chemical communications (Cambridge, England)","2024","60","72","9749","9752","10.1039/d4cc02570a","","x-ray","1.54184","CuKα","","0.0868","0.0555","","","0.1358","0.1511","","","","","","1.029","","","","has coordinates,has disorder","295157","2024-10-06","06:25:54",""
"7133328","15.9186","0.0001","10.1537","0.0001","21.3582","0.0002","90","","93.633","0.001","90","","3445.25","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C53.33 H56 K0.67 La0.67 O5.33 -","- C53.3333 H56 K0.666667 La0.666667 O5.33333 -","- C160 H168 K2 La2 O16 -","3","0.75","","Katzer, Nicholas J.; Kaur, Mandeep; Sen, Asmita; Nimaiyar, Rupal; Autschbach, Jochen; Arnold, Polly L.; Hintermair, Ulrich","Tetraphenylpentalenide organolanthanide complexes.","Chemical communications (Cambridge, England)","2024","60","72","9749","9752","10.1039/d4cc02570a","","x-ray","1.54184","CuKα","","0.0317","0.0307","","","0.0836","0.0844","","","","","","1.135","","","","has coordinates","295157","2024-10-06","06:25:54",""
"7133329","17.52153","0.00008","19.2375","0.0008","21.05544","0.00008","90","","92.9279","0.0004","90","","7087.9","0.3","150","2","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C176 H184 Mg O12 Y2 -","- C176 H184 Mg O12 Y2 -","- C352 H368 Mg2 O24 Y4 -","2","0.5","","Katzer, Nicholas J.; Kaur, Mandeep; Sen, Asmita; Nimaiyar, Rupal; Autschbach, Jochen; Arnold, Polly L.; Hintermair, Ulrich","Tetraphenylpentalenide organolanthanide complexes.","Chemical communications (Cambridge, England)","2024","60","72","9749","9752","10.1039/d4cc02570a","","x-ray","1.54184","CuKα","","0.0352","0.0307","","","0.0769","0.0802","","","","","","1.017","","","","has coordinates,has disorder","295157","2024-10-06","06:25:54",""
"7133330","20.1809","0.00011","15.78844","0.00008","25.03591","0.00011","90","","90.51","","90","","7976.75","0.07","150","2","150","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C96 H108 Na O8 Yb -","- C96 H108 Na O8 Yb -","- C384 H432 Na4 O32 Yb4 -","4","1","","Katzer, Nicholas J.; Kaur, Mandeep; Sen, Asmita; Nimaiyar, Rupal; Autschbach, Jochen; Arnold, Polly L.; Hintermair, Ulrich","Tetraphenylpentalenide organolanthanide complexes.","Chemical communications (Cambridge, England)","2024","60","72","9749","9752","10.1039/d4cc02570a","","x-ray","1.54184","CuKα","","0.0299","0.0265","","","0.0666","0.0691","","","","","","1.046","","","","has coordinates,has disorder","295157","2024-10-06","06:25:54",""
"7133331","11.2368","0.0003","7.0029","0.0002","19.2578","0.0005","90","","90","","90","","1515.4","0.07","200","","200","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C19 H23 N -","- C19 H23 N -","- C76 H92 N4 -","4","0.5","","Yang, Fang; Li, Heyang; Li, Huijie; He, Xiaoming","Manipulation of 1D and 2D self-assembly <i>via</i> geometry modulation of adamantane isocyanide Pt(II) complexes.","Chemical communications (Cambridge, England)","2024","60","65","8605","8608","10.1039/d4cc02400a","","","1.54178","CuKα","","0.0512","0.0484","","","0.127","0.1298","","","","","","1.066","","","","has coordinates,has disorder","294442","2024-09-05","23:20:07",""
"7133332","6.7908","0.0004","19.6373","0.0013","16.4833","0.0011","90","","90.029","0.003","90","","2198.1","0.2","153","","153","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 N2 -","- C28 H30 N2 -","- C112 H120 N8 -","4","1","","Yang, Fang; Li, Heyang; Li, Huijie; He, Xiaoming","Manipulation of 1D and 2D self-assembly <i>via</i> geometry modulation of adamantane isocyanide Pt(II) complexes.","Chemical communications (Cambridge, England)","2024","60","65","8605","8608","10.1039/d4cc02400a","","","1.54178","CuKα","","0.0506","0.0429","","","0.1117","0.1195","","","","","","1.054","","","","has coordinates","294442","2024-09-05","23:20:07",""
"7133333","23.3656","0.0002","9.1918","0.0001","31.7925","0.0003","90","","90","","90","","6828.14","0.11","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C26 H24 B Cr2 N4 Na O13 -","- C26 H24 B Cr2 N4 Na O13 -","- C208 H192 B8 Cr16 N32 Na8 O104 -","8","2","","Luff, Martin S.; Bertermann, Rüdiger; Finze, Maik; Radius, Udo","The tetracyanoborate anion as a building block for the heterocubane cluster cage [Cr<sub>4</sub>{B(CN)<sub>4</sub>}<sub>4</sub>]<sup>4</sup>.","Chemical communications (Cambridge, England)","2024","60","65","8621","8624","10.1039/d4cc03022b","","","1.54184","CuKα","","0.0397","0.0364","","","0.0925","0.0947","","","","","","1.022","","","","has coordinates,has disorder","294452","2024-09-05","23:22:14",""
"7133334","9.8572","0.0004","12.1418","0.0005","12.9109","0.0005","100.325","0.003","96.817","0.003","95.944","0.003","1497.09","0.11","568","2","568","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H32 B Cr N4 Na O8 -","- C24 H32 B Cr N4 Na O8 -","- C48 H64 B2 Cr2 N8 Na2 O16 -","2","1","","Luff, Martin S.; Bertermann, Rüdiger; Finze, Maik; Radius, Udo","The tetracyanoborate anion as a building block for the heterocubane cluster cage [Cr<sub>4</sub>{B(CN)<sub>4</sub>}<sub>4</sub>]<sup>4</sup>.","Chemical communications (Cambridge, England)","2024","60","65","8621","8624","10.1039/d4cc03022b","","","1.54184","CuKα","","0.0809","0.0758","","","0.2178","0.2232","","","","","","1.065","","","","has coordinates,has disorder","294452","2024-09-05","23:22:14",""
"7133335","16.6054","0.0001","18.2464","0.0002","27.5141","0.0002","93.222","0.001","99.544","0.001","113.692","0.001","7458.23","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C308 H280 B8 Cr8 N32 O39 P8 -","- C308 H280 B8 Cr8 N32 O39 P8 -","- C308 H280 B8 Cr8 N32 O39 P8 -","1","0.5","","Luff, Martin S.; Bertermann, Rüdiger; Finze, Maik; Radius, Udo","The tetracyanoborate anion as a building block for the heterocubane cluster cage [Cr<sub>4</sub>{B(CN)<sub>4</sub>}<sub>4</sub>]<sup>4</sup>.","Chemical communications (Cambridge, England)","2024","60","65","8621","8624","10.1039/d4cc03022b","","","1.54184","CuKα","","0.0897","0.0749","","","0.2032","0.2164","","","","","","1.01","","","","has coordinates,has disorder","294452","2024-09-05","23:22:14",""
"7133336","17.5473","0.0002","20.8549","0.0002","35.3881","0.0003","90","","102.2","0.001","90","","12657.7","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C104 H152 B4 Cr4 N16 Na4 O31 -","- C104 H152 B4 Cr4 N16 Na4 O31 -","- C416 H608 B16 Cr16 N64 Na16 O124 -","4","1","","Luff, Martin S.; Bertermann, Rüdiger; Finze, Maik; Radius, Udo","The tetracyanoborate anion as a building block for the heterocubane cluster cage [Cr<sub>4</sub>{B(CN)<sub>4</sub>}<sub>4</sub>]<sup>4</sup>.","Chemical communications (Cambridge, England)","2024","60","65","8621","8624","10.1039/d4cc03022b","","","1.54184","CuKα","","0.0912","0.0806","","","0.2065","0.2145","","","","","","1.056","","","","has coordinates,has disorder","294452","2024-09-05","23:22:14",""
"7133337","9.5486","0.0018","9.8277","0.0019","16.757","0.003","103.234","0.006","103.776","0.005","97.299","0.006","1459","0.5","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H28 N4 O2 -","- C37 H28 N4 O2 -","- C74 H56 N8 O4 -","2","1","","Balasubramani, Alagesan; Sudarshana, K. A.; Kushwaha, Roli; Chakravarty, Sumana; Pabbaraja, Srihari; Mehta, Goverdhan","One flask cascade approach to a complex pyrano[2,3-<i>c</i>]pyrazole-pyrazolone hybrid heterocyclic system and its initiatory neurobiological profiling.","Chemical communications (Cambridge, England)","2024","60","64","8443","8446","10.1039/d4cc02813a","","","0.71073","MoKα","","0.0944","0.0464","","","0.113","0.1388","","","","","","1.015","","","","has coordinates","294424","2024-09-05","23:13:41",""
"7133338","9.341","0.007","11.471","0.008","15.177","0.011","88.237","0.013","77.033","0.015","83.309","0.013","1574","2","293.15","","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C41 H32 N4 O2 -","- C41 H32 N4 O2 -","- C82 H64 N8 O4 -","2","1","","Balasubramani, Alagesan; Sudarshana, K. A.; Kushwaha, Roli; Chakravarty, Sumana; Pabbaraja, Srihari; Mehta, Goverdhan","One flask cascade approach to a complex pyrano[2,3-<i>c</i>]pyrazole-pyrazolone hybrid heterocyclic system and its initiatory neurobiological profiling.","Chemical communications (Cambridge, England)","2024","60","64","8443","8446","10.1039/d4cc02813a","","x-ray","0.71073","MoKα","","0.1911","0.0665","","","0.1518","0.2147","","","","","","1.003","","","","has coordinates","294424","2024-09-05","23:13:42",""
"7133339","9.724","0.007","12.297","0.009","13.872","0.01","103.225","0.015","106.099","0.014","98.327","0.016","1512.5","1.9","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H26 Cl2 N4 O2 -","- C37 H26 Cl2 N4 O2 -","- C74 H52 Cl4 N8 O4 -","2","1","","Balasubramani, Alagesan; Sudarshana, K. A.; Kushwaha, Roli; Chakravarty, Sumana; Pabbaraja, Srihari; Mehta, Goverdhan","One flask cascade approach to a complex pyrano[2,3-<i>c</i>]pyrazole-pyrazolone hybrid heterocyclic system and its initiatory neurobiological profiling.","Chemical communications (Cambridge, England)","2024","60","64","8443","8446","10.1039/d4cc02813a","","x-ray","0.71073","MoKα","","0.0927","0.0476","","","0.1101","0.1355","","","","","","1.017","","","","has coordinates","294424","2024-09-05","23:13:42",""
"7133340","17.9657","0.0008","22.4892","0.001","28.4392","0.0014","90","","90","","90","","11490.4","0.9","169.98","","169.98","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C47 H82 N4 Si4 Yb -","- C47 H82 N4 Si4 Yb -","- C376 H656 N32 Si32 Yb8 -","8","1","","Xu, Cheng; Zhao, Sixuan; Zhang, Heng; Peng, Qian; Chen, Yaofeng","Yb/Si frustrated Lewis pairs with a labile naphthalenyl bridge.","Chemical communications (Cambridge, England)","2024","60","64","8411","8414","10.1039/d4cc03009e","","","1.34139","GaKα","","0.1254","0.0672","","","0.1726","0.2026","","","","","","1.121","","","","has coordinates","294423","2024-09-05","23:13:24",""
"7133341","14.1534","0.0009","17.7808","0.0011","22.4677","0.0014","90","","100.898","0.004","90","","5552.2","0.6","192.99","","192.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H88 N4 Si4 Yb -","- C50 H88 N4 Si4 Yb -","- C200 H352 N16 Si16 Yb4 -","4","1","","Xu, Cheng; Zhao, Sixuan; Zhang, Heng; Peng, Qian; Chen, Yaofeng","Yb/Si frustrated Lewis pairs with a labile naphthalenyl bridge.","Chemical communications (Cambridge, England)","2024","60","64","8411","8414","10.1039/d4cc03009e","","","1.34139","GaKα","","0.0572","0.0399","","","0.0913","0.0983","","","","","","1.039","","","","has coordinates","294423","2024-09-05","23:13:25",""
"7133342","13.2397","0.0004","22.4875","0.0008","18.0354","0.0005","90","","105.208","0.002","90","","5181.6","0.3","181.99","","181.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H83 N5 Si4 Yb -","- C46 H83 N5 Si4 Yb -","- C184 H332 N20 Si16 Yb4 -","4","1","","Xu, Cheng; Zhao, Sixuan; Zhang, Heng; Peng, Qian; Chen, Yaofeng","Yb/Si frustrated Lewis pairs with a labile naphthalenyl bridge.","Chemical communications (Cambridge, England)","2024","60","64","8411","8414","10.1039/d4cc03009e","","","1.34139","GaKα","","0.1025","0.0674","","","0.1511","0.1713","","","","","","1.048","","","","has coordinates","294423","2024-09-05","23:13:25",""
"7133343","18.0881","0.0004","22.6537","0.0004","26.9902","0.0006","90","","90","","90","","11059.6","0.4","173","0.2","173","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C50 H90 N4 Si4 Yb -","- C50 H90 N4 Si4 Yb -","- C400 H720 N32 Si32 Yb8 -","8","1","","Xu, Cheng; Zhao, Sixuan; Zhang, Heng; Peng, Qian; Chen, Yaofeng","Yb/Si frustrated Lewis pairs with a labile naphthalenyl bridge.","Chemical communications (Cambridge, England)","2024","60","64","8411","8414","10.1039/d4cc03009e","","x-ray","0.71073","MoKα","","0.0933","0.0544","","","0.0958","0.108","","","","","","1.063","","","","has coordinates,has disorder","294423","2024-09-05","23:13:25",""
"7133344","15.4962","0.0003","17.7037","0.0003","19.308","0.0003","78.382","0.001","69.436","0.001","69.691","0.002","4632.04","0.15","173","0.1","173","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C34.06 H68.23 N4 O0.06 S2 Si4 Yb -","- C34 H68 N4 S2 Si4 Yb -","- C136 H272 N16 S8 Si16 Yb4 -","4","2","","Xu, Cheng; Zhao, Sixuan; Zhang, Heng; Peng, Qian; Chen, Yaofeng","Yb/Si frustrated Lewis pairs with a labile naphthalenyl bridge.","Chemical communications (Cambridge, England)","2024","60","64","8411","8414","10.1039/d4cc03009e","","x-ray","0.71073","MoKα","","0.0499","0.0337","","","0.0793","0.0844","","","","","","1.053","","","","has coordinates","294423","2024-09-05","23:13:25",""
"7133345","16.6089","0.0002","14.6227","0.0002","24.9167","0.0003","90","","90","","90","","6051.44","0.13","100.01","0.1","100.01","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H39 N3 Ti -","- C37 H39 N3 Ti -","- C296 H312 N24 Ti8 -","8","1","","Fritsche, Paul; Geyer, Lucia; Czernetzki, Corinna; Hierlmeier, Gabriele","Coordination-induced reductive elimination from a titanium(IV) complex.","Chemical communications (Cambridge, England)","2024","60","68","9030","9033","10.1039/d4cc02500h","","x-ray","1.54184","CuKα","","0.0458","0.0386","","","0.1062","0.1103","","","","","","1.085","","","","has coordinates","294438","2024-09-05","23:19:28",""
"7133346","11.5575","0.0002","17.8865","0.0003","11.9883","0.0002","90","","103.609","0.001","90","","2408.68","0.07","100.4","0.9","100.4","0.9","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 N3 Ti -","- C30 H31 N3 Ti -","- C120 H124 N12 Ti4 -","4","1","","Fritsche, Paul; Geyer, Lucia; Czernetzki, Corinna; Hierlmeier, Gabriele","Coordination-induced reductive elimination from a titanium(IV) complex.","Chemical communications (Cambridge, England)","2024","60","68","9030","9033","10.1039/d4cc02500h","","x-ray","1.54184","CuKα","","0.0468","0.0419","","","0.1184","0.1208","","","","","","1.135","","","","has coordinates","294438","2024-09-05","23:19:29",""
"7133347","10.1395","0.0001","12.8171","0.0001","16.6592","0.0001","71.421","0.001","85.313","0.001","66.806","0.001","1883.94","0.03","99.98","0.1","99.98","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C45 H55 N3 Ti -","- C45 H55 N3 Ti -","- C90 H110 N6 Ti2 -","2","1","","Fritsche, Paul; Geyer, Lucia; Czernetzki, Corinna; Hierlmeier, Gabriele","Coordination-induced reductive elimination from a titanium(IV) complex.","Chemical communications (Cambridge, England)","2024","60","68","9030","9033","10.1039/d4cc02500h","","x-ray","1.54184","CuKα","","0.0358","0.0343","","","0.094","0.0949","","","","","","1.094","","","","has coordinates","294438","2024-09-05","23:19:29",""
"7133348","11.0602","0.0002","12.062","0.0002","14.3315","0.0003","77.339","0.002","77.207","0.002","70.619","0.001","1736.62","0.06","100.01","0.11","100.01","0.11","","","","","","","","4","P -1","-P 1","2","","","","- C39 H53 N3 Ti -","- C39 H53 N3 Ti -","- C78 H106 N6 Ti2 -","2","1","","Fritsche, Paul; Geyer, Lucia; Czernetzki, Corinna; Hierlmeier, Gabriele","Coordination-induced reductive elimination from a titanium(IV) complex.","Chemical communications (Cambridge, England)","2024","60","68","9030","9033","10.1039/d4cc02500h","","x-ray","1.54184","CuKα","","0.029","0.0287","","","0.0803","0.0805","","","","","","1.097","","","","has coordinates","294438","2024-09-05","23:19:29",""
"7133349","8.2775","0.0003","8.4391","0.0004","27.6673","0.0014","90","","90","","90","","1932.69","0.15","100","0.11","100","0.11","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 B Br N2 O4 -","- C17 H22 B Br N2 O4 -","- C68 H88 B4 Br4 N8 O16 -","4","1","","Ankudinov, Nikita M.; Komarova, Alina A.; Podyacheva, Evgeniya S.; Chusov, Denis A.; Danshina, Anastasia A.; Perekalin, Dmitry S.","Synthesis of chiral boranes <i>via</i> asymmetric insertion of carbenes into B-H bonds catalyzed by the rhodium(I) diene complex.","Chemical communications (Cambridge, England)","2024","60","65","8601","8604","10.1039/d4cc02969k","","x-ray","1.54184","CuKα","","0.0933","0.0842","","","0.2029","0.2075","","","","","","1.128","","","","has coordinates","294451","2024-09-05","23:21:42",""
"7133350","12.2239","0.0008","12.3893","0.0007","30.5039","0.0016","80.911","0.003","84.233","0.003","61.359","0.003","4001.9","0.4","173","2","173","","","","","","","","","5","P -1","-P 1","2","","","","- C139 H103 Cd6 N13 O33 -","- C139 H103 Cd6 N13 O33 -","- C139 H103 Cd6 N13 O33 -","1","0.5","","Chang, Manman; Li, Nan; Guo, Lingxiao; Zhang, Yijia; Liu, Xiao-Ting; Lu, Chao","Manipulating AIE ligands into layers of pillar-layered MOFs for enhanced emission.","Chemical communications (Cambridge, England)","2024","60","66","8696","8699","10.1039/d4cc01831a","","","1.54178","CuKα","","0.1527","0.1316","","","0.3561","0.3808","","","","","","1.442","","","","has coordinates,has disorder","294430","2024-09-05","23:15:31",""
"7133351","9.8998","0.0005","10.3818","0.0005","13.7847","0.0007","85.545","0.002","75.783","0.002","70.838","0.002","1297.27","0.11","173","2","173","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 Cd N4 O5 -","- C29 H23 Cd N4 O5 -","- C58 H46 Cd2 N8 O10 -","2","1","","Chang, Manman; Li, Nan; Guo, Lingxiao; Zhang, Yijia; Liu, Xiao-Ting; Lu, Chao","Manipulating AIE ligands into layers of pillar-layered MOFs for enhanced emission.","Chemical communications (Cambridge, England)","2024","60","66","8696","8699","10.1039/d4cc01831a","","","1.54178","CuKα","","0.0421","0.0398","","","0.1036","0.1053","","","","","","1.1","","","","has coordinates","294430","2024-09-05","23:15:31",""
"7133352","26.0598","0.0006","8.2468","0.0002","22.9568","0.0006","90","","93.487","0.001","90","","4924.5","0.2","173","2","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C108 H92 Cd4 N12 O24 -","- C108 H92 Cd4 N12 O24 -","- C216 H184 Cd8 N24 O48 -","2","0.25","","Chang, Manman; Li, Nan; Guo, Lingxiao; Zhang, Yijia; Liu, Xiao-Ting; Lu, Chao","Manipulating AIE ligands into layers of pillar-layered MOFs for enhanced emission.","Chemical communications (Cambridge, England)","2024","60","66","8696","8699","10.1039/d4cc01831a","","","1.54178","CuKα","","0.0283","0.0275","","","0.0726","0.0734","","","","","","1.054","","","","has coordinates","294430","2024-09-05","23:15:31",""
"7133353","26.241","0.0008","7.6898","0.0002","23.0522","0.0007","90","","91.71","0.003","90","","4649.6","0.2","173","2","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C100 H92 Cd4 N12 O24 -","- C100 H92 Cd4 N12 O24 -","- C200 H184 Cd8 N24 O48 -","2","0.25","","Chang, Manman; Li, Nan; Guo, Lingxiao; Zhang, Yijia; Liu, Xiao-Ting; Lu, Chao","Manipulating AIE ligands into layers of pillar-layered MOFs for enhanced emission.","Chemical communications (Cambridge, England)","2024","60","66","8696","8699","10.1039/d4cc01831a","","","1.54178","CuKα","","0.0559","0.043","","","0.0971","0.1047","","","","","","1.046","","","","has coordinates,has disorder","294430","2024-09-05","23:15:31",""
"7133354","9.0027","0.0002","12.5556","0.0002","16.1594","0.0003","82.397","0.001","84.317","0.001","87.262","0.001","1800.5","0.06","173","2","173","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H32 Cd N4 O10 -","- C41 H32 Cd N4 O10 -","- C82 H64 Cd2 N8 O20 -","2","1","","Chang, Manman; Li, Nan; Guo, Lingxiao; Zhang, Yijia; Liu, Xiao-Ting; Lu, Chao","Manipulating AIE ligands into layers of pillar-layered MOFs for enhanced emission.","Chemical communications (Cambridge, England)","2024","60","66","8696","8699","10.1039/d4cc01831a","","","1.54178","CuKα","","0.0526","0.0413","","","0.0875","0.0932","","","","","","1.081","","","","has coordinates,has disorder","294430","2024-09-05","23:15:31",""
"7133355","8.5508","0.0005","3.8729","0.0003","15.8451","0.001","90","","102.727","0.003","90","","511.84","0.06","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2Cl","","- C14 H8 B Cl -","- C14 H8 B Cl -","- C28 H16 B2 Cl2 -","2","1","","Zacharias, Harie; Begum, Ayesha; Han, Jianhua; Bartholome, Tyler A.; Marder, Todd B.; Martin, Caleb D.","Synthesis of phenanthrylboroles and formal nitrene insertion to access azaborapyrenes.","Chemical communications (Cambridge, England)","2024","60","66","8740","8743","10.1039/d4cc02863e","","","0.71073","MoKα","","0.1034","0.0948","","","0.2234","0.2273","","","","","","1.228","","","","has coordinates","294434","2024-09-05","23:16:23",""
"7133356","5.4556","0.0003","16.6414","0.0013","17.5759","0.0013","90","","90","","90","","1595.7","0.19","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3Ph","","- C21 H15 B Cl N -","- C21 H15 B Cl N -","- C84 H60 B4 Cl4 N4 -","4","1","","Zacharias, Harie; Begum, Ayesha; Han, Jianhua; Bartholome, Tyler A.; Marder, Todd B.; Martin, Caleb D.","Synthesis of phenanthrylboroles and formal nitrene insertion to access azaborapyrenes.","Chemical communications (Cambridge, England)","2024","60","66","8740","8743","10.1039/d4cc02863e","","","0.71073","MoKα","","0.0376","0.0352","","","0.0854","0.0869","","","","","","1.122","","","","has coordinates","294434","2024-09-05","23:16:23",""
"7133357","10.0077","0.0005","11.6105","0.0005","14.5031","0.0007","90","","99.121","0.004","90","","1663.87","0.14","169.98","0.1","169.98","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 O S2 -","- C20 H16 O S2 -","- C80 H64 O4 S8 -","4","1","","Hu, Xinwei; Zhong, Kaihui; Ruan, Zhixiong","Tunable electrochemical diverse sulfurization of sulfoxonium ylides with disulfides.","Chemical communications (Cambridge, England)","2024","60","65","8573","8576","10.1039/d4cc02479f","","x-ray","0.71073","MoKα","","0.0361","0.0305","","","0.0722","0.0752","","","","","","1.069","","","","has coordinates","294448","2024-09-05","23:21:11",""
"7133358","9.0497","0.0005","9.8617","0.0006","17.5484","0.0011","92.637","0.005","91.848","0.005","95.942","0.005","1554.97","0.16","169.99","0.1","169.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 F5 O2 S2 -","- C16 H11 F5 O2 S2 -","- C64 H44 F20 O8 S8 -","4","2","","Hu, Xinwei; Zhong, Kaihui; Ruan, Zhixiong","Tunable electrochemical diverse sulfurization of sulfoxonium ylides with disulfides.","Chemical communications (Cambridge, England)","2024","60","65","8573","8576","10.1039/d4cc02479f","","x-ray","0.71073","MoKα","","0.0839","0.0684","","","0.1653","0.1752","","","","","","1.061","","","","has coordinates","294448","2024-09-05","23:21:12",""
"7133359","4.9931","0.0002","5.055","0.0003","12.7089","0.0006","87.739","0.004","85.844","0.003","80.408","0.004","315.34","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H8 N2 O8 -","- C14 H8 N2 O8 -","- C14 H8 N2 O8 -","1","0.5","","Omura, Takumi; Morisako, Shogo; Isoda, Kyosuke","Amino acid-appended pyromellitic diimide liquid materials, their photoluminescence, and the thermal response that turns the photoluminescence off.","Chemical communications (Cambridge, England)","2024","60","70","9352","9355","10.1039/d4cc02229g","","x-ray","1.54184","CuKα","","0.0497","0.0457","","","0.1343","0.1383","","","","","","1.078","","","","has coordinates","294412","2024-09-05","23:08:37",""
"7133360","7.5542","0.0001","7.0242","0.0001","24.7028","0.0003","90","","96.948","0.001","90","","1301.16","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H28 N2 O8 -","- C30 H28 N2 O8 -","- C60 H56 N4 O16 -","2","1","","Omura, Takumi; Morisako, Shogo; Isoda, Kyosuke","Amino acid-appended pyromellitic diimide liquid materials, their photoluminescence, and the thermal response that turns the photoluminescence off.","Chemical communications (Cambridge, England)","2024","60","70","9352","9355","10.1039/d4cc02229g","","x-ray","1.54184","CuKα","","0.0259","0.0257","","","0.0698","0.0701","","","","","","1.033","","","","has coordinates","294412","2024-09-05","23:08:37",""
"7133361","6.7234","0.0016","10.105","0.002","19.638","0.005","91.057","0.019","90.07","0.02","93.418","0.018","1331.6","0.5","123","2","123","2","","","","","","","","5","P 1","P 1","1","","","","- C47 H65 F9 N10 O16 -","- C47 H65 F9 N10 O16 -","- C47 H65 F9 N10 O16 -","1","1","","Cayrou, Chloé; Walrant, Astrid; Ravault, Delphine; Guitot, Karine; Noinville, Sylvie; Sagan, Sandrine; Brigaud, Thierry; Gonzalez, Simon; Ongeri, Sandrine; Chaume, Grégory","Incorporation of CF<sub>3</sub>-pseudoprolines into polyproline type II foldamers confers promising biophysical features.","Chemical communications (Cambridge, England)","2024","60","65","8609","8612","10.1039/d4cc02895c","","x-ray","0.71073","MoKα","","0.1488","0.1101","","","0.2404","0.26","","","","","","1.078","","","","has coordinates,has disorder","294444","2024-09-05","23:20:25",""
"7133362","7.6112","0.0004","8.5345","0.0005","9.9571","0.0006","111.229","0.002","102.154","0.002","93.29","0.002","583.02","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","BNTD","","","- C16 H10 O2 S -","- C16 H10 O2 S -","- C32 H20 O4 S2 -","2","1","","Reid, Amelia G.; Zelenke, Ethan A.; Moberg, Megan E.; Dickie, Diane A.; Machan, Charles W.","Improving co-electrocatalytic carbon dioxide reduction by optimizing the relative potentials of the redox mediator and catalyst.","Chemical communications (Cambridge, England)","2024","60","63","8208","8211","10.1039/d4cc01988a","","","0.71073","MoKα","","0.0452","0.0399","","","0.1051","0.1089","","","","","","1.075","","","","has coordinates","293689","2024-08-05","17:24:13",""
"7133363","10.905","0.006","19.645","0.01","11.608","0.006","90","","104.342","0.017","90","","2409","2","300","2","300","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 Cl Cu N6 O6 -","- C22 H21 Cl Cu N6 O6 -","- C88 H84 Cl4 Cu4 N24 O24 -","4","1","","Kaur, Simarjeet; Das, Avijit; Velasco, Lucia; Sauvan, Maxime; Bera, Moumita; Ugale, Ashok; Charisiadis, Asterios; Moonshiram, Dooshaye; Paria, Sayantan","Spectroscopic characterization and reactivity studies of a copper(II) iminoxyl radical complex.","Chemical communications (Cambridge, England)","2024","60","73","9934","9937","10.1039/d4cc02922d","","","0.71073","MoKα","","0.1846","0.0846","","","0.1726","0.2198","","","","","","1.1385","","","","has coordinates","295101","2024-10-06","05:09:47",""
"7133364","11.828","0.0009","14.9837","0.0009","11.0984","0.0009","90","","106.25","0.008","90","","1888.4","0.3","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O3 -","- C25 H19 N O3 -","- C100 H76 N4 O12 -","4","1","","Chi, Dongmei; Qi, Hongbo; Wang, Leming; Chen, Shufeng","Pd-Catalyzed cascade Heck cyclization/carbonylation of indoles with aryl formates: enantioselective construction of indolo[2,1-<i>a</i>]isoquinolines.","Chemical communications (Cambridge, England)","2024","60","65","8613","8616","10.1039/d4cc02577f","","x-ray","0.71073","MoKα","","0.0463","0.0385","","","0.0894","0.0953","","","","","","1.03","","","","has coordinates","294446","2024-09-05","23:20:51",""
"7133365","17.936","0.002","30.464","0.004","31.068","0.004","90","","90","","90","","16976","4","100","2","100.01","","","","","","","","","5","F m m m","-F 2 2","69","","","","- C68 H40 N4 O32 Zr6 -","- C68 H40 N4 O32 Zr6 -","- C272 H160 N16 O128 Zr24 -","4","0.125","","Li, Fugang; Huang, Jinyi; Meng, Yuxuan; Li, Ji; Zhang, Liangliang; Sheng, Daopeng","<i>In situ</i> confinement of ultra-small metal nanoparticles in redox-active zirconium MOFs for catalysis.","Chemical communications (Cambridge, England)","2024","60","66","8708","8711","10.1039/d4cc01976h","","","0.71073","MoKα","","0.1931","0.1319","","","0.2668","0.3014","","","","","","1.053","","","","has coordinates","294433","2024-09-05","23:16:11",""
"7133366","19.893","0.003","30.475","0.004","31.958","0.005","90","","90","","90","","19374","5","168","","168","","","","","","","","","6","F m m m","-F 2 2","69","","","","- C68.5 H40 Eu6 F8 N4 O24.5 -","- C68.5 H40 Eu6 F8 N4 O24.5 -","- C274 H160 Eu24 F32 N16 O98 -","4","0.125","","Li, Fugang; Huang, Jinyi; Meng, Yuxuan; Li, Ji; Zhang, Liangliang; Sheng, Daopeng","<i>In situ</i> confinement of ultra-small metal nanoparticles in redox-active zirconium MOFs for catalysis.","Chemical communications (Cambridge, England)","2024","60","66","8708","8711","10.1039/d4cc01976h","","","0.71073","MoKα","","0.1842","0.151","","","0.323","0.3461","","","","","","1.118","","","","has coordinates","294433","2024-09-05","23:16:12",""
"7133367","11.2216","0.0011","12.4643","0.0012","19.1311","0.0019","72.756","0.005","80.477","0.005","67.034","0.005","2349.2","0.4","150.15","","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H48 Fe2 N4 S4 -","- C52 H48 Fe2 N4 S4 -","- C104 H96 Fe4 N8 S8 -","2","1","","Spielvogel, Kyle D.; Campbell, Emily J.; Chowdhury, Sabyasachi Roy; Benner, Florian; Demir, Selvan; Hatzis, Gillian P.; Petras, Hayley R.; Sembukuttiarachchige, Dunya; Shepherd, James J.; Thomas, Christine M.; Vlaisavljevich, Bess; Daly, Scott R.","Modulation of Fe-Fe distance and spin in diiron complexes using tetradentate ligands with different flanking donors.","Chemical communications (Cambridge, England)","2024","60","64","8399","8402","10.1039/d4cc02522a","","","0.71073","MoKα","","0.0607","0.0425","","","0.0982","0.1075","","","","","","1.039","","","","has coordinates","294421","2024-09-05","23:12:30",""
"7133368","14.7925","0.0018","12.1411","0.0015","20.679","0.003","90","","93.443","0.005","90","","3707.2","0.8","150","2","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Fe2 N4 S4 -","- C40 H36 Fe2 N4 S4 -","- C160 H144 Fe8 N16 S16 -","4","1","","Spielvogel, Kyle D.; Campbell, Emily J.; Chowdhury, Sabyasachi Roy; Benner, Florian; Demir, Selvan; Hatzis, Gillian P.; Petras, Hayley R.; Sembukuttiarachchige, Dunya; Shepherd, James J.; Thomas, Christine M.; Vlaisavljevich, Bess; Daly, Scott R.","Modulation of Fe-Fe distance and spin in diiron complexes using tetradentate ligands with different flanking donors.","Chemical communications (Cambridge, England)","2024","60","64","8399","8402","10.1039/d4cc02522a","","","0.71073","MoKα","","0.0498","0.0333","","","0.0704","0.0781","","","","","","1.03","","","","has coordinates","294421","2024-09-05","23:12:31",""
"7133369","14.128","0.0014","17.7302","0.0018","18.8223","0.0018","90","","101.994","0.005","90","","4611.9","0.8","150","2","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C53 H57 Fe2 N8 -","- C53 H57 Fe2 N8 -","- C212 H228 Fe8 N32 -","4","1","","Spielvogel, Kyle D.; Campbell, Emily J.; Chowdhury, Sabyasachi Roy; Benner, Florian; Demir, Selvan; Hatzis, Gillian P.; Petras, Hayley R.; Sembukuttiarachchige, Dunya; Shepherd, James J.; Thomas, Christine M.; Vlaisavljevich, Bess; Daly, Scott R.","Modulation of Fe-Fe distance and spin in diiron complexes using tetradentate ligands with different flanking donors.","Chemical communications (Cambridge, England)","2024","60","64","8399","8402","10.1039/d4cc02522a","","","0.71073","MoKα","","0.0353","0.0274","","","0.0691","0.0731","","","","","","1.04","","","","has coordinates","294421","2024-09-05","23:12:31",""
"7133370","14.495","0.004","17.19","0.005","20.268","0.007","68.265","0.017","89.15","0.02","87.363","0.015","4686","3","150.15","","150.15","","","","","","","","","4","P -1","-P 1","2","","","","- C94 H102 Fe4 N16 -","- C94 H102 Fe4 N16 -","- C188 H204 Fe8 N32 -","2","1","","Spielvogel, Kyle D.; Campbell, Emily J.; Chowdhury, Sabyasachi Roy; Benner, Florian; Demir, Selvan; Hatzis, Gillian P.; Petras, Hayley R.; Sembukuttiarachchige, Dunya; Shepherd, James J.; Thomas, Christine M.; Vlaisavljevich, Bess; Daly, Scott R.","Modulation of Fe-Fe distance and spin in diiron complexes using tetradentate ligands with different flanking donors.","Chemical communications (Cambridge, England)","2024","60","64","8399","8402","10.1039/d4cc02522a","","","0.71073","MoKα","","0.1858","0.0985","","","0.2482","0.2968","","","","","","1.009","","","","has coordinates","294421","2024-09-05","23:12:31",""
"7133371","8.7963","0.0001","9.5198","0.0001","34.7853","0.0004","90","","90","","90","","2912.89","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,9-di-L-menthoxy-1,10-phenanthroline","","- C32 H44 N2 O2 -","- C32 H44 N2 O2 -","- C128 H176 N8 O8 -","4","1","","Bando, Masayoshi; Fortino, Mariagrazia; Pietropaolo, Adriana; Shichibu, Yukatsu; Konishi, Katsuaki; Nakano, Tamaki","Molecular ordering-enhanced circularly polarized luminescence of chiral 1,10-phenanthroline derivatives.","Chemical communications (Cambridge, England)","2024","60","65","8625","8628","10.1039/d4cc01582g","","","1.54184","CuKα","","0.0325","0.0318","","","0.0863","0.0868","","","","","","1.042","","","","has coordinates","295939","2024-11-15","15:38:00",""
"7133372","18.2704","0.0006","10.4138","0.0004","18.749","0.0005","90","","118.769","0.001","90","","3126.95","0.18","304","2","304","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 N O2 -","- C38 H38 N O2 -","- C152 H152 N4 O8 -","4","1","","Ali, Amjad; Harit, Harish K.; Behera, Chandana; Singh, Ravi P.","A diastereoselective strategy for dihydrophenanthrene-fused spirooxindoles <i>via</i> [1,2]-phospha-Brook rearrangement.","Chemical communications (Cambridge, England)","2024","60","67","8904","8907","10.1039/d4cc02215g","","","0.71073","MoKα","","0.0871","0.0603","","","0.1408","0.1515","","","","","","0.762","","","","has coordinates","294455","2024-09-05","23:23:45",""
"7133373","9.6832","0.0008","11.7011","0.0009","13.0161","0.001","73.358","0.003","74.524","0.003","66.061","0.003","1272.21","0.18","173","2","173","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H26 F N2 O P Pd -","- C31 H26 F N2 O P Pd -","- C62 H52 F2 N4 O2 P2 Pd2 -","2","1","","Jabbarpoor, Maryam; LeBlanc, Jesse; Chen, Zichuan; Cadwallader, Dusty; Le, Christine M.","Pd-catalyzed Suzuki-type cross-coupling of 2-pyridyl carbamoyl fluorides.","Chemical communications (Cambridge, England)","2024","60","66","8700","8703","10.1039/d4cc02431a","","","0.71073","MoKα","","0.1153","0.0602","","","0.09","0.1095","","","","","","1.046","","","","has coordinates","294437","2024-09-05","23:17:56",""
"7133374","11.026","0.0006","16.8504","0.0011","17.4371","0.0011","90","","99.551","0.002","90","","3194.8","0.3","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H34 Cl N2 O3 P Pd -","- C31 H26 Cl N2 O P Pd -","- C124 H104 Cl4 N8 O4 P4 Pd4 -","4","1","","Jabbarpoor, Maryam; LeBlanc, Jesse; Chen, Zichuan; Cadwallader, Dusty; Le, Christine M.","Pd-catalyzed Suzuki-type cross-coupling of 2-pyridyl carbamoyl fluorides.","Chemical communications (Cambridge, England)","2024","60","66","8700","8703","10.1039/d4cc02431a","","","0.71073","MoKα","","0.076","0.048","","","0.1182","0.1405","","","","","","1.048","","","","has coordinates","294437","2024-09-05","23:17:57",""
"7133375","23.7615","0.0004","24.0825","0.0004","35.9358","0.0006","101.204","0.0015","91.4858","0.0014","111.906","0.0018","18605.5","0.6","135","","135","","","","","","","","","6","P -1","-P 1","2","","foldax","","- C314 H312 Cl3 F10 N49 O47 -","- C314 H312 Cl3 F10 N49 O47 -","- C628 H624 Cl6 F20 N98 O94 -","2","1","","Yao, Chenhao; Gole, Bappaditya; Bui, Anh Thy; Kauffmann, Brice; Huc, Ivan; McClenaghan, Nathan D.; Ferrand, Yann","Photon-gated foldaxane assembly/disassembly.","Chemical communications (Cambridge, England)","2024","60","64","8415","8418","10.1039/d4cc03218g","","x-ray","1.54178","CuKα","","0.1303","0.1015","","","0.3192","0.351","","","","","","1.313","","","","has coordinates","294422","2024-09-05","23:12:48",""
"7133376","17.5489","0.0005","15.0572","0.0005","36.9438","0.0011","90","","94.949","0.001","90","","9725.5","0.5","100.15","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C82 H88 Cl F18 Fe2 N19 O16 S6 -","- C82 H88 Cl F18 Fe2 N19 O16 S6 -","- C328 H352 Cl4 F72 Fe8 N76 O64 S24 -","4","1","","Ríos, Pablo; See, Matthew S.; Gonzalez, Oscar; Handford, Rex C.; Nicolay, Amélie; Rao, Guodong; Britt, R. David; Bediako, D. Kwabena; Tilley, T. Don","Iron homo- and heterobimetallic complexes supported by a symmetrical dinucleating ligand.","Chemical communications (Cambridge, England)","2024","60","67","8912","8915","10.1039/d4cc02155j","","","0.7288","synchrotron","","0.0676","0.0503","","","0.1383","0.15","","","","","","1.05","","","","has coordinates,has disorder","294456","2024-09-05","23:24:23",""
"7133377","24.0364","0.0012","14.7281","0.0007","19.756","0.0016","90","","126.263","0.002","90","","5639.2","0.6","100.15","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C62 H61 N16 O1.5 -","- C62 H61 N16 O1.5 -","- C248 H244 N64 O6 -","4","1","","Ríos, Pablo; See, Matthew S.; Gonzalez, Oscar; Handford, Rex C.; Nicolay, Amélie; Rao, Guodong; Britt, R. David; Bediako, D. Kwabena; Tilley, T. Don","Iron homo- and heterobimetallic complexes supported by a symmetrical dinucleating ligand.","Chemical communications (Cambridge, England)","2024","60","67","8912","8915","10.1039/d4cc02155j","","","0.7288","synchrotron","","0.059","0.0559","","","0.1511","0.1542","","","","","","1.054","","","","has coordinates,has disorder","294456","2024-09-05","23:24:23",""
"7133378","31.3189","0.0013","12.0713","0.0005","16.0669","0.0007","90","","107.591","0.001","90","","5790.2","0.4","100.15","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 Cl2 Fe N8 -","- C30 H28 Cl2 Fe N8 -","- C240 H224 Cl16 Fe8 N64 -","8","1","","Ríos, Pablo; See, Matthew S.; Gonzalez, Oscar; Handford, Rex C.; Nicolay, Amélie; Rao, Guodong; Britt, R. David; Bediako, D. Kwabena; Tilley, T. Don","Iron homo- and heterobimetallic complexes supported by a symmetrical dinucleating ligand.","Chemical communications (Cambridge, England)","2024","60","67","8912","8915","10.1039/d4cc02155j","","","0.7288","synchrotron","","0.0339","0.0315","","","0.087","0.0885","","","","","","1.034","","","","has coordinates","294456","2024-09-05","23:24:23",""
"7133379","14.0576","0.001","19.146","0.0014","22.1777","0.0016","78.52","0.003","74.856","0.003","72.035","0.003","5435.1","0.7","100.15","","100.15","","","","","","","","","8","P -1","-P 1","2","","","","- C96 H90 Cl2 F6 Fe2 N26 O6 S2 -","- C96 H90 Cl2 F6 Fe2 N26 O6 S2 -","- C192 H180 Cl4 F12 Fe4 N52 O12 S4 -","2","1","","Ríos, Pablo; See, Matthew S.; Gonzalez, Oscar; Handford, Rex C.; Nicolay, Amélie; Rao, Guodong; Britt, R. David; Bediako, D. Kwabena; Tilley, T. Don","Iron homo- and heterobimetallic complexes supported by a symmetrical dinucleating ligand.","Chemical communications (Cambridge, England)","2024","60","67","8912","8915","10.1039/d4cc02155j","","","0.7288","synchrotron","","0.0715","0.0602","","","0.1818","0.1911","","","","","","1.054","","","","has coordinates,has disorder","294456","2024-09-05","23:24:23",""
"7133380","14.1048","0.0002","19.0576","0.0003","22.1206","0.0003","78.592","0.001","75.168","0.001","71.179","0.002","5397.34","0.15","100.15","","100.15","","","","","","","","","9","P -1","-P 1","2","","","","- C101.51 H98.26 Cl2 F6 Fe Mn N28.75 O6 S2 -","- C95.508 H89.262 Cl2 F6 Fe Mn N25.754 O6 S2 -","- C191.016 H178.524 Cl4 F12 Fe2 Mn2 N51.508 O12 S4 -","2","1","","Ríos, Pablo; See, Matthew S.; Gonzalez, Oscar; Handford, Rex C.; Nicolay, Amélie; Rao, Guodong; Britt, R. David; Bediako, D. Kwabena; Tilley, T. Don","Iron homo- and heterobimetallic complexes supported by a symmetrical dinucleating ligand.","Chemical communications (Cambridge, England)","2024","60","67","8912","8915","10.1039/d4cc02155j","","","1.54184","CuKα","","0.0802","0.0668","","","0.1897","0.2016","","","","","","1.062","","","","has coordinates,has disorder","294456","2024-09-05","23:24:23",""
"7133381","31.418","0.002","40.637","0.003","19.4953","0.0012","90","","117.411","0.003","90","","22096","3","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C184 H142 N18 Ni2 O12 -","- C184 H142 N18 Ni2 O12 -","- C736 H568 N72 Ni8 O48 -","4","0.5","","He, Yixing; Yu, Zhi; Jiang, Yanzi; Zhu, Jinjie; Yao, Selina X.; Liang, Wenjie; Diederich, François; Saunders, Martin; Xu, Hai","A H<sub>2</sub>@C<sub>60</sub><sup>1</sup>H NMR probe for sensitively detecting the supramolecular interactions between a molecular tweezer and C<sub>60</sub>.","Chemical communications (Cambridge, England)","2024","60","66","8716","8719","10.1039/d4cc02695k","","x-ray","1.34139","GaKα","","0.1704","0.0986","","","0.2845","0.3413","","","","","","0.976","","","","has coordinates,has disorder","294435","2024-09-05","23:16:39",""
"7133382","6.2369","0.0003","10.018","0.0005","39.109","0.002","90","","90","","90","","2443.6","0.2","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","dihydroxy_tosylate","3-((2R,5S)-5-(hydroxydiphenylmethyl)-1-tosylpyrrolidin-2-yl)propan-1-ol","","- C27 H31 N O4 S -","- C27 H31 N O4 S -","- C108 H124 N4 O16 S4 -","4","1","","Singh, Suraj; Kumar, Rohtash; Dubey, Navneet Nandgopal; Appayee, Chandrakumar","Synthesis and application of chiral <i>cis</i>-2,5-disubstituted pyrrolidine organocatalysts.","Chemical communications (Cambridge, England)","2024","60","66","8768","8771","10.1039/d4cc03132f","","","0.71073","MoKα","","0.0481","0.0462","","","0.1435","0.1453","","","","","","1.289","","","","has coordinates","294432","2024-09-05","23:15:54",""
"7133383","5.1998","0.0008","15.781","0.003","24.305","0.005","90","","90","","90","","1994.4","0.6","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2-((1S,2R,3S)-2-nitro-1,2,3,6-tetrahydro-[1,1'-biphenyl]-3-yl)ethyl (4-chlorophenyl)carbamate","2-((1S,2R,3S)-2-nitro-1,2,3,6-tetrahydro-[1,1'-biphenyl]-3-yl)ethyl (4-chlorophenyl)carbamate","","- C21 H21 Cl N2 O4 -","- C21 H21 Cl N2 O4 -","- C84 H84 Cl4 N8 O16 -","4","1","","Singh, Suraj; Kumar, Rohtash; Dubey, Navneet Nandgopal; Appayee, Chandrakumar","Synthesis and application of chiral <i>cis</i>-2,5-disubstituted pyrrolidine organocatalysts.","Chemical communications (Cambridge, England)","2024","60","66","8768","8771","10.1039/d4cc03132f","","","0.71073","MoKα","","0.0627","0.0427","","","0.127","0.1444","","","","","","0.994","","","","has coordinates","294432","2024-09-05","23:15:54",""
"7133384","18.822","0.003","9.4151","0.0014","9.3683","0.0014","90","","94.291","0.004","90","","1655.5","0.4","273","","273","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O2 S2 -","- C16 H17 N O2 S2 -","- C64 H68 N4 O8 S8 -","4","1","","Li, Xuejian; Liu, Qinglong; Song, Wangze","Chemical fixation of CO<sub>2</sub>/CS<sub>2</sub> to access iodoallenyl oxazolidinones and allenyl thiazolidine-thiones.","Chemical communications (Cambridge, England)","2024","60","66","8756","8759","10.1039/d4cc02894e","","","0.71073","MoKα","","0.0629","0.0485","","","0.1247","0.1354","","","","","","1.061","","","","has coordinates,has disorder","294431","2024-09-05","23:15:41",""
"7133385","78.8953","0.0007","22.1894","0.0002","35.6493","0.0003","90","","94.371","0.001","90","","62227.5","0.9","99.99","0.1","99.99","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C285 H186 Ag6 N12 O36 P6 Ti4 -","- C285 H186 Ag6 N12 O36 P6 Ti4 -","- C2280 H1488 Ag48 N96 O288 P48 Ti32 -","8","1","","Yuan, Yuan; Zhang, Dong-Hui; Li, Qiao-Hong; Chen, Shu-Mei; He, Yan-Ping; Zhang, Jian","Combining Ti<sub>4</sub>(embonate)<sub>6</sub> anionic cages and π-conjugated coordination cations for highly effective optical limiting.","Chemical communications (Cambridge, England)","2024","60","66","8748","8751","10.1039/d4cc02938k","","x-ray","1.3405","GaKα","","0.1683","0.1259","","","0.3856","0.4103","","","","","","1.373","","","","has coordinates","294436","2024-09-05","23:17:41",""
"7133386","20.4503","0.0004","20.4503","0.0004","54.8956","0.0015","90","","90","","90","","22958.2","0.9","293","2","293","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C212 H132 Ag2 N4 O36 P4 Ti4 -","- C212 H132 Ag2 N4 O36 P4 Ti4 -","- C848 H528 Ag8 N16 O144 P16 Ti16 -","4","0.5","","Yuan, Yuan; Zhang, Dong-Hui; Li, Qiao-Hong; Chen, Shu-Mei; He, Yan-Ping; Zhang, Jian","Combining Ti<sub>4</sub>(embonate)<sub>6</sub> anionic cages and π-conjugated coordination cations for highly effective optical limiting.","Chemical communications (Cambridge, England)","2024","60","66","8748","8751","10.1039/d4cc02938k","","x-ray","1.54184","CuKα","","0.1207","0.059","","","0.1631","0.202","","","","","","0.933","","","","has coordinates","294436","2024-09-05","23:17:41",""
"7133387","35.6145","0.0004","22.6414","0.0002","47.7519","0.0007","90","","110.16","0.002","90","","36146.3","0.9","99.99","0.1","99.99","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C294 H224 Ag8 N8 O36 P8 Ti4 -","- C294 H224 Ag8 N8 O36 P8 Ti4 -","- C1176 H896 Ag32 N32 O144 P32 Ti16 -","4","0.5","","Yuan, Yuan; Zhang, Dong-Hui; Li, Qiao-Hong; Chen, Shu-Mei; He, Yan-Ping; Zhang, Jian","Combining Ti<sub>4</sub>(embonate)<sub>6</sub> anionic cages and π-conjugated coordination cations for highly effective optical limiting.","Chemical communications (Cambridge, England)","2024","60","66","8748","8751","10.1039/d4cc02938k","","x-ray","1.3405","GaKα","","0.129","0.109","","","0.2924","0.312","","","","","","1.077","","","","has coordinates","294436","2024-09-05","23:17:41",""
"7133388","22.62","0.003","24.412","0.003","38.496","0.005","98.666","0.002","100.99","0.002","112.911","0.002","18617","4","175","","175","","","","","","","","","6","P -1","-P 1","2","","","","- H237 K25 Mn11 Nb62 O330 Te15 -","- H42 K25 Mn11 Nb62 O305 Te15 -","- H84 K50 Mn22 Nb124 O610 Te30 -","2","1","","Wu, Ping-Xin; Chen, Chun-Xia; Sun, Yan-Qiong; Zheng, Shou-Tian","A water-soluble mixed-valent {Mn<sub>11</sub>} cluster embedded heteropolyoxoniobate with magnetic properties.","Chemical communications (Cambridge, England)","2024","60","67","8888","8891","10.1039/d4cc02720e","","","0.71073","MoKα","","0.1461","0.0894","","","0.2195","0.2696","","","","","","1.033","","","","has coordinates","294459","2024-09-05","23:25:00",""
"7133389","13.559","0.003","9.666","0.002","13.263","0.003","90","","111.25","0.03","90","","1620.1","0.7","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H16 N6 Ni O4 -","- C15 H16 N6 Ni O4 -","- C60 H64 N24 Ni4 O16 -","4","0.5","","Potempa, Kinga; Paliwoda, Damian; Jarzembska, Katarzyna N.; Kamiński, Radosław; Krówczyński, Adam; Borowski, Patryk; Hanfland, Michael","Pressure-induced single-crystal-to-single-crystal nitrite ligand isomerisation accompanied by a piezochromic effect.","Chemical communications (Cambridge, England)","2024","60","69","9194","9197","10.1039/d4cc02898h","","","0.71073","MoKα","","0.0439","0.0366","","","0.0812","0.0869","","","","","","1.054","","","","has coordinates,has disorder","294415","2024-09-05","23:10:39",""
"7133390","13.643","0.003","9.66","0.002","13.321","0.003","90","","111.02","0.03","90","","1638.8","0.7","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H16 N6 Ni O4 -","- C15 H16 N6 Ni O4 -","- C60 H64 N24 Ni4 O16 -","4","0.5","","Potempa, Kinga; Paliwoda, Damian; Jarzembska, Katarzyna N.; Kamiński, Radosław; Krówczyński, Adam; Borowski, Patryk; Hanfland, Michael","Pressure-induced single-crystal-to-single-crystal nitrite ligand isomerisation accompanied by a piezochromic effect.","Chemical communications (Cambridge, England)","2024","60","69","9194","9197","10.1039/d4cc02898h","","","0.71073","MoKα","","0.0414","0.0341","","","0.0674","0.0715","","","","","","1.062","","","","has coordinates,has disorder","294415","2024-09-05","23:10:43",""
"7133391","13.5175","0.0017","9.6","0.002","13.278","0.003","90","","110.466","0.016","90","","1614.3","0.6","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H16 N6 Ni O4 -","- C15 H16 N6 Ni O4 -","- C60 H64 N24 Ni4 O16 -","4","1","","Potempa, Kinga; Paliwoda, Damian; Jarzembska, Katarzyna N.; Kamiński, Radosław; Krówczyński, Adam; Borowski, Patryk; Hanfland, Michael","Pressure-induced single-crystal-to-single-crystal nitrite ligand isomerisation accompanied by a piezochromic effect.","Chemical communications (Cambridge, England)","2024","60","69","9194","9197","10.1039/d4cc02898h","","","0.40965","synchrotron","","0.0696","0.0609","","","0.1619","0.1716","","","","","","1.078","","","","has coordinates,has disorder","294415","2024-09-05","23:10:43",""
"7133392","13.385","0.003","9.559","0.002","13.218","0.003","90","","110.52","0.03","90","","1583.9","0.7","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H16 N6 Ni O4 -","- C15 H16 N6 Ni O4 -","- C60 H64 N24 Ni4 O16 -","4","1","","Potempa, Kinga; Paliwoda, Damian; Jarzembska, Katarzyna N.; Kamiński, Radosław; Krówczyński, Adam; Borowski, Patryk; Hanfland, Michael","Pressure-induced single-crystal-to-single-crystal nitrite ligand isomerisation accompanied by a piezochromic effect.","Chemical communications (Cambridge, England)","2024","60","69","9194","9197","10.1039/d4cc02898h","","","0.40965","synchrotron","","0.0632","0.055","","","0.1506","0.1598","","","","","","1.069","","","","has coordinates,has disorder","294415","2024-09-05","23:10:43",""
"7133393","13.709","0.002","9.662","0.003","13.361","0.003","90","","110.45","0.02","90","","1658.2","0.7","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H16 N6 Ni O4 -","- C15 H16 N6 Ni O4 -","- C60 H64 N24 Ni4 O16 -","4","1","","Potempa, Kinga; Paliwoda, Damian; Jarzembska, Katarzyna N.; Kamiński, Radosław; Krówczyński, Adam; Borowski, Patryk; Hanfland, Michael","Pressure-induced single-crystal-to-single-crystal nitrite ligand isomerisation accompanied by a piezochromic effect.","Chemical communications (Cambridge, England)","2024","60","69","9194","9197","10.1039/d4cc02898h","","","0.40965","synchrotron","","0.0704","0.0561","","","0.153","0.1677","","","","","","1.066","","","","has coordinates,has disorder","294415","2024-09-05","23:10:43",""
"7133394","13.75","0.003","9.663","0.002","13.387","0.003","90","","110.53","0.03","90","","1665.7","0.7","293","","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H16 N6 Ni O4 -","- C15 H16 N6 Ni O4 -","- C60 H64 N24 Ni4 O16 -","4","1","","Potempa, Kinga; Paliwoda, Damian; Jarzembska, Katarzyna N.; Kamiński, Radosław; Krówczyński, Adam; Borowski, Patryk; Hanfland, Michael","Pressure-induced single-crystal-to-single-crystal nitrite ligand isomerisation accompanied by a piezochromic effect.","Chemical communications (Cambridge, England)","2024","60","69","9194","9197","10.1039/d4cc02898h","","","0.71073","MoKα","","0.0619","0.0427","","","0.0805","0.0947","","","","","","1.062","","","","has coordinates,has disorder","294415","2024-09-05","23:10:43",""
"7133395","13.232","0.003","9.508","0.002","13.132","0.003","90","","110.46","0.03","90","","1547.9","0.7","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H16 N6 Ni O4 -","- C15 H16 N6 Ni O4 -","- C60 H64 N24 Ni4 O16 -","4","1","","Potempa, Kinga; Paliwoda, Damian; Jarzembska, Katarzyna N.; Kamiński, Radosław; Krówczyński, Adam; Borowski, Patryk; Hanfland, Michael","Pressure-induced single-crystal-to-single-crystal nitrite ligand isomerisation accompanied by a piezochromic effect.","Chemical communications (Cambridge, England)","2024","60","69","9194","9197","10.1039/d4cc02898h","","","0.40965","synchrotron","","0.0621","0.0537","","","0.1426","0.1513","","","","","","1.067","","","","has coordinates,has disorder","294415","2024-09-05","23:10:43",""
"7133396","13.026","0.003","9.45","0.002","13.021","0.003","90","","110.4","0.03","90","","1502.3","0.7","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H16 N6 Ni O4 -","- C15 H16 N6 Ni O4 -","- C60 H64 N24 Ni4 O16 -","4","1","","Potempa, Kinga; Paliwoda, Damian; Jarzembska, Katarzyna N.; Kamiński, Radosław; Krówczyński, Adam; Borowski, Patryk; Hanfland, Michael","Pressure-induced single-crystal-to-single-crystal nitrite ligand isomerisation accompanied by a piezochromic effect.","Chemical communications (Cambridge, England)","2024","60","69","9194","9197","10.1039/d4cc02898h","","","0.40965","synchrotron","","0.0726","0.0631","","","0.1736","0.1848","","","","","","1.044","","","","has coordinates,has disorder","294415","2024-09-05","23:10:43",""
"7133397","19.686","0.004","9.307","0.002","12.765","0.003","90.02","0.03","106.67","0.03","105.24","0.03","2154.4","1","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 N6 Ni O4 -","- C15 H16 N6 Ni O4 -","- C90 H96 N36 Ni6 O24 -","6","3","","Potempa, Kinga; Paliwoda, Damian; Jarzembska, Katarzyna N.; Kamiński, Radosław; Krówczyński, Adam; Borowski, Patryk; Hanfland, Michael","Pressure-induced single-crystal-to-single-crystal nitrite ligand isomerisation accompanied by a piezochromic effect.","Chemical communications (Cambridge, England)","2024","60","69","9194","9197","10.1039/d4cc02898h","","","0.40965","synchrotron","","0.0858","0.0607","","","0.1622","0.181","","","","","","1.052","","","","has coordinates,has disorder","294415","2024-09-05","23:10:43",""
"7133398","12.836","0.003","9.391","0.002","12.908","0.003","90","","108.56","0.03","90","","1475","0.6","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H16 N6 Ni O4 -","- C15 H16 N6 Ni O4 -","- C60 H64 N24 Ni4 O16 -","4","1","","Potempa, Kinga; Paliwoda, Damian; Jarzembska, Katarzyna N.; Kamiński, Radosław; Krówczyński, Adam; Borowski, Patryk; Hanfland, Michael","Pressure-induced single-crystal-to-single-crystal nitrite ligand isomerisation accompanied by a piezochromic effect.","Chemical communications (Cambridge, England)","2024","60","69","9194","9197","10.1039/d4cc02898h","","","0.40965","synchrotron","","0.104","0.0793","","","0.2292","0.2569","","","","","","1.058","","","","has coordinates,has disorder","294415","2024-09-05","23:10:43",""
"7133399","19.543","0.004","9.269","0.002","12.708","0.003","89.99","0.03","106.56","0.03","105.39","0.03","2120.3","0.9","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 N6 Ni O4 -","- C15 H16 N6 Ni O4 -","- C90 H96 N36 Ni6 O24 -","6","3","","Potempa, Kinga; Paliwoda, Damian; Jarzembska, Katarzyna N.; Kamiński, Radosław; Krówczyński, Adam; Borowski, Patryk; Hanfland, Michael","Pressure-induced single-crystal-to-single-crystal nitrite ligand isomerisation accompanied by a piezochromic effect.","Chemical communications (Cambridge, England)","2024","60","69","9194","9197","10.1039/d4cc02898h","","","0.40965","synchrotron","","0.0852","0.0613","","","0.1597","0.1767","","","","","","1.056","","","","has coordinates,has disorder","294415","2024-09-05","23:10:43",""
"7133400","12.306","0.003","9.1663","0.0008","12.558","0.003","90.212","0.012","105.34","0.02","87.125","0.013","1364.3","0.5","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 N6 Ni O4 -","- C15 H16 N6 Ni O4 -","- C60 H64 N24 Ni4 O16 -","4","2","","Potempa, Kinga; Paliwoda, Damian; Jarzembska, Katarzyna N.; Kamiński, Radosław; Krówczyński, Adam; Borowski, Patryk; Hanfland, Michael","Pressure-induced single-crystal-to-single-crystal nitrite ligand isomerisation accompanied by a piezochromic effect.","Chemical communications (Cambridge, England)","2024","60","69","9194","9197","10.1039/d4cc02898h","","","0.40965","synchrotron","","0.1424","0.0936","","","0.2343","0.2721","","","","","","0.99","","","","has coordinates","294415","2024-09-05","23:10:43",""
"7133401","12.098","0.002","9.0718","0.001","12.404","0.002","90.129","0.012","104.909","0.016","87.038","0.012","1313.7","0.4","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 N6 Ni O4 -","- C15 H16 N6 Ni O4 -","- C60 H64 N24 Ni4 O16 -","4","2","","Potempa, Kinga; Paliwoda, Damian; Jarzembska, Katarzyna N.; Kamiński, Radosław; Krówczyński, Adam; Borowski, Patryk; Hanfland, Michael","Pressure-induced single-crystal-to-single-crystal nitrite ligand isomerisation accompanied by a piezochromic effect.","Chemical communications (Cambridge, England)","2024","60","69","9194","9197","10.1039/d4cc02898h","","","0.40965","synchrotron","","0.1477","0.0963","","","0.2413","0.2809","","","","","","1.019","","","","has coordinates","294415","2024-09-05","23:10:43",""
"7133402","12.208","0.003","9.126","0.0011","12.491","0.003","90.205","0.014","105.14","0.02","87.019","0.015","1341.4","0.5","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 N6 Ni O4 -","- C15 H16 N6 Ni O4 -","- C60 H64 N24 Ni4 O16 -","4","2","","Potempa, Kinga; Paliwoda, Damian; Jarzembska, Katarzyna N.; Kamiński, Radosław; Krówczyński, Adam; Borowski, Patryk; Hanfland, Michael","Pressure-induced single-crystal-to-single-crystal nitrite ligand isomerisation accompanied by a piezochromic effect.","Chemical communications (Cambridge, England)","2024","60","69","9194","9197","10.1039/d4cc02898h","","","0.40965","synchrotron","","0.1454","0.0934","","","0.2334","0.2714","","","","","","1.023","","","","has coordinates","294415","2024-09-05","23:10:43",""
"7133403","19.527","0.002","9.2591","0.0009","12.693","0.002","90.057","0.01","106.512","0.011","105.351","0.012","2114.6","0.5","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 N6 Ni O4 -","- C15 H16 N6 Ni O4 -","- C90 H96 N36 Ni6 O24 -","6","3","","Potempa, Kinga; Paliwoda, Damian; Jarzembska, Katarzyna N.; Kamiński, Radosław; Krówczyński, Adam; Borowski, Patryk; Hanfland, Michael","Pressure-induced single-crystal-to-single-crystal nitrite ligand isomerisation accompanied by a piezochromic effect.","Chemical communications (Cambridge, England)","2024","60","69","9194","9197","10.1039/d4cc02898h","","","0.40965","synchrotron","","0.0811","0.063","","","0.1737","0.1887","","","","","","1.058","","","","has coordinates,has disorder","294415","2024-09-05","23:10:43",""
"7133404","12.369","0.003","9.1988","0.0013","12.599","0.002","90.252","0.013","105.495","0.017","87.182","0.014","1379.7","0.5","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 N6 Ni O4 -","- C15 H16 N6 Ni O4 -","- C60 H64 N24 Ni4 O16 -","4","2","","Potempa, Kinga; Paliwoda, Damian; Jarzembska, Katarzyna N.; Kamiński, Radosław; Krówczyński, Adam; Borowski, Patryk; Hanfland, Michael","Pressure-induced single-crystal-to-single-crystal nitrite ligand isomerisation accompanied by a piezochromic effect.","Chemical communications (Cambridge, England)","2024","60","69","9194","9197","10.1039/d4cc02898h","","","0.40965","synchrotron","","0.1285","0.0738","","","0.1878","0.2404","","","","","","0.795","","","","has coordinates","294415","2024-09-05","23:10:43",""
"7133405","12.396","0.002","9.204","0.002","12.618","0.003","90.26","0.03","105.54","0.03","87.17","0.03","1385.2","0.5","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 N6 Ni O4 -","- C15 H16 N6 Ni O4 -","- C60 H64 N24 Ni4 O16 -","4","2","","Potempa, Kinga; Paliwoda, Damian; Jarzembska, Katarzyna N.; Kamiński, Radosław; Krówczyński, Adam; Borowski, Patryk; Hanfland, Michael","Pressure-induced single-crystal-to-single-crystal nitrite ligand isomerisation accompanied by a piezochromic effect.","Chemical communications (Cambridge, England)","2024","60","69","9194","9197","10.1039/d4cc02898h","","","0.40965","synchrotron","","0.1418","0.0925","","","0.231","0.2683","","","","","","0.991","","","","has coordinates","294415","2024-09-05","23:10:43",""
"7133406","19.77","0.002","9.3295","0.0008","12.796","0.0017","90.044","0.009","106.801","0.01","104.937","0.01","2175.8","0.4","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 N6 Ni O4 -","- C15 H16 N6 Ni O4 -","- C90 H96 N36 Ni6 O24 -","6","3","","Potempa, Kinga; Paliwoda, Damian; Jarzembska, Katarzyna N.; Kamiński, Radosław; Krówczyński, Adam; Borowski, Patryk; Hanfland, Michael","Pressure-induced single-crystal-to-single-crystal nitrite ligand isomerisation accompanied by a piezochromic effect.","Chemical communications (Cambridge, England)","2024","60","69","9194","9197","10.1039/d4cc02898h","","","0.40965","synchrotron","","0.0888","0.067","","","0.1836","0.204","","","","","","1.048","","","","has coordinates,has disorder","294415","2024-09-05","23:10:43",""
"7133407","13.295","0.003","9.5267","0.0013","13.169","0.003","90","","110.6","0.02","90","","1561.3","0.6","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H16 N6 Ni O4 -","- C15 H16 N6 Ni O4 -","- C60 H64 N24 Ni4 O16 -","4","1","","Potempa, Kinga; Paliwoda, Damian; Jarzembska, Katarzyna N.; Kamiński, Radosław; Krówczyński, Adam; Borowski, Patryk; Hanfland, Michael","Pressure-induced single-crystal-to-single-crystal nitrite ligand isomerisation accompanied by a piezochromic effect.","Chemical communications (Cambridge, England)","2024","60","69","9194","9197","10.1039/d4cc02898h","","","0.40965","synchrotron","","0.0732","0.0619","","","0.1648","0.1752","","","","","","1.072","","","","has coordinates,has disorder","294415","2024-09-05","23:10:43",""
"7133408","8.51","0.008","4.956","0.004","11.481","0.009","90","","106.91","0.03","90","","463.3","0.7","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H7 F3 O2 -","- C10 H7 F3 O2 -","- C20 H14 F6 O4 -","2","1","","Kazi, Ayazoddin Aunoddin; Manjuladevi, Nadimpalli; Kumar, Salla Suresh; Sharma, Anamika; Singh, L. Ravithej","A quick access to CF<sub>3</sub>-containing functionalized benzofuranyl, benzothiophene and indolyl heterocycles under catalyst-free conditions.","Chemical communications (Cambridge, England)","2024","60","70","9376","9379","10.1039/d4cc02395a","","","0.71073","MoKα","","0.1122","0.0629","","","0.1661","0.1962","","","","","","1.051","","","","has coordinates","294405","2024-09-05","23:06:54",""
"7133409","5.4629","0.0007","21.481","0.003","11.2799","0.0013","90","","90","","90","","1323.7","0.3","294","2","294","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C11 H9 Br F3 N O3 S -","- C11 H9 Br F3 N O3 S -","- C44 H36 Br4 F12 N4 O12 S4 -","4","1","","Kazi, Ayazoddin Aunoddin; Manjuladevi, Nadimpalli; Kumar, Salla Suresh; Sharma, Anamika; Singh, L. Ravithej","A quick access to CF<sub>3</sub>-containing functionalized benzofuranyl, benzothiophene and indolyl heterocycles under catalyst-free conditions.","Chemical communications (Cambridge, England)","2024","60","70","9376","9379","10.1039/d4cc02395a","","","0.71073","MoKα","","0.0418","0.0293","","","0.0588","0.0628","","","","","","1.045","","","","has coordinates","294405","2024-09-05","23:06:54",""
"7133410","26.50453","0.00014","14.53119","0.00006","25.82392","0.00016","90","","114.266","0.0007","90","","9067.12","0.1","150","2","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C161.8 H256.4 Br10 N10 O37 -","- C161.8 H256.4 Br10 N10 O37 -","- C323.6 H512.8 Br20 N20 O74 -","2","0.5","","Gao, Tu-Nan; Yang, Zhen; Goed, Jesse M. S.; Zuilhof, Han; Miloserdov, Fedor M.","Rim-differentiated pillar[5]arene-modified surfaces for rapid PFOA/PFOS detection.","Chemical communications (Cambridge, England)","2024","60","72","9789","9792","10.1039/d4cc02676d","","x-ray","1.54184","CuKα","","0.0395","0.0369","","","0.0972","0.0993","","","","","","1.032","","","","has coordinates,has disorder","295152","2024-10-06","06:23:59",""
"7133411","7.48375","0.00011","23.7768","0.0005","8.95801","0.00013","90","","94.0554","0.0014","90","","1589.99","0.05","180","0.1","180","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H16 O3 -","- C21 H16 O3 -","- C84 H64 O12 -","4","2","","Li, Kai; Zhao, Zhengxing; Qin, Wenling; Liu, Yidong; Yan, Hailong","Catalytic asymmetric construction of bridged bicyclo[<i>m</i>.3.1] rings using an intramolecular Diels-Alder reaction.","Chemical communications (Cambridge, England)","2024","60","71","9570","9573","10.1039/d4cc02850c","","x-ray","1.54184","CuKα","","0.0358","0.0354","","","0.092","0.0924","","","","","","1.057","","","","has coordinates","294429","2024-09-05","23:15:01",""
"7133412","28.1188","0.0008","7.6926","0.0002","15.6637","0.0005","90","","92.223","0.003","90","","3385.61","0.17","200.01","0.1","200.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H34 Br2 O4 -","- C44 H34 Br2 O4 -","- C176 H136 Br8 O16 -","4","1","","Li, Kai; Zhao, Zhengxing; Qin, Wenling; Liu, Yidong; Yan, Hailong","Catalytic asymmetric construction of bridged bicyclo[<i>m</i>.3.1] rings using an intramolecular Diels-Alder reaction.","Chemical communications (Cambridge, England)","2024","60","71","9570","9573","10.1039/d4cc02850c","","x-ray","0.71073","MoKα","","0.0993","0.0781","","","0.1685","0.1771","","","","","","1.151","","","","has coordinates","294429","2024-09-05","23:15:02",""
"7133413","8.0085","0.0003","8.9848","0.0006","21.0224","0.0011","90","","90","","90","","1512.66","0.14","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H13 Br O2 -","- C20 H13 Br O2 -","- C80 H52 Br4 O8 -","4","1","","Li, Kai; Zhao, Zhengxing; Qin, Wenling; Liu, Yidong; Yan, Hailong","Catalytic asymmetric construction of bridged bicyclo[<i>m</i>.3.1] rings using an intramolecular Diels-Alder reaction.","Chemical communications (Cambridge, England)","2024","60","71","9570","9573","10.1039/d4cc02850c","","x-ray","0.71073","MoKα","","0.0644","0.0439","","","0.0728","0.0823","","","","","","1.035","","","","has coordinates","294429","2024-09-05","23:15:02",""
"7133414","15.1076","0.0005","10.0376","0.0005","20.6682","0.001","90","","90","","90","","3134.2","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H15 Br O -","- C21 H15 Br O -","- C168 H120 Br8 O8 -","8","1","","Li, Kai; Zhao, Zhengxing; Qin, Wenling; Liu, Yidong; Yan, Hailong","Catalytic asymmetric construction of bridged bicyclo[<i>m</i>.3.1] rings using an intramolecular Diels-Alder reaction.","Chemical communications (Cambridge, England)","2024","60","71","9570","9573","10.1039/d4cc02850c","","x-ray","0.71073","MoKα","","0.0757","0.0391","","","0.0763","0.0899","","","","","","1.038","","","","has coordinates","294429","2024-09-05","23:15:02",""
"7133415","8.8697","0.0004","22.6968","0.0007","8.963","0.0005","90","","114.336","0.006","90","","1644.05","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H15 Br O2 -","- C21 H15 Br O2 -","- C84 H60 Br4 O8 -","4","2","","Li, Kai; Zhao, Zhengxing; Qin, Wenling; Liu, Yidong; Yan, Hailong","Catalytic asymmetric construction of bridged bicyclo[<i>m</i>.3.1] rings using an intramolecular Diels-Alder reaction.","Chemical communications (Cambridge, England)","2024","60","71","9570","9573","10.1039/d4cc02850c","","x-ray","0.71073","MoKα","","0.0868","0.0472","","","0.0727","0.0867","","","","","","1.01","","","","has coordinates","294429","2024-09-05","23:15:02",""
"7133416","5.595","0.0003","10.2307","0.0004","29.7158","0.0012","90","","90","","90","","1700.96","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 Br O -","- C22 H17 Br O -","- C88 H68 Br4 O4 -","4","1","","Li, Kai; Zhao, Zhengxing; Qin, Wenling; Liu, Yidong; Yan, Hailong","Catalytic asymmetric construction of bridged bicyclo[<i>m</i>.3.1] rings using an intramolecular Diels-Alder reaction.","Chemical communications (Cambridge, England)","2024","60","71","9570","9573","10.1039/d4cc02850c","","x-ray","0.71073","MoKα","","0.0673","0.0436","","","0.0664","0.0772","","","","","","1.065","","","","has coordinates","294429","2024-09-05","23:15:02",""
"7133417","8.6383","0.0003","12.6159","0.0005","17.6123","0.0007","90","","90","","90","","1919.39","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Br O Si -","- C23 H21 Br O Si -","- C92 H84 Br4 O4 Si4 -","4","1","","Li, Kai; Zhao, Zhengxing; Qin, Wenling; Liu, Yidong; Yan, Hailong","Catalytic asymmetric construction of bridged bicyclo[<i>m</i>.3.1] rings using an intramolecular Diels-Alder reaction.","Chemical communications (Cambridge, England)","2024","60","71","9570","9573","10.1039/d4cc02850c","","x-ray","0.71073","MoKα","","0.0573","0.0398","","","0.0728","0.0805","","","","","","1.039","","","","has coordinates","294429","2024-09-05","23:15:02",""
"7133418","7.8805","0.0004","11.2373","0.0004","17.8564","0.0012","90","","90","","90","","1581.28","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 Br O -","- C21 H15 Br O -","- C84 H60 Br4 O4 -","4","1","","Li, Kai; Zhao, Zhengxing; Qin, Wenling; Liu, Yidong; Yan, Hailong","Catalytic asymmetric construction of bridged bicyclo[<i>m</i>.3.1] rings using an intramolecular Diels-Alder reaction.","Chemical communications (Cambridge, England)","2024","60","71","9570","9573","10.1039/d4cc02850c","","x-ray","0.71073","MoKα","","0.1072","0.0487","","","0.0839","0.1007","","","","","","0.981","","","","has coordinates","294429","2024-09-05","23:15:02",""
"7133419","8.7121","0.0003","8.882","0.0004","13.2952","0.0006","90","","98.023","0.004","90","","1018.72","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H19 Br O -","- C27 H19 Br O -","- C54 H38 Br2 O2 -","2","1","","Li, Kai; Zhao, Zhengxing; Qin, Wenling; Liu, Yidong; Yan, Hailong","Catalytic asymmetric construction of bridged bicyclo[<i>m</i>.3.1] rings using an intramolecular Diels-Alder reaction.","Chemical communications (Cambridge, England)","2024","60","71","9570","9573","10.1039/d4cc02850c","","x-ray","0.71073","MoKα","","0.0621","0.042","","","0.0732","0.0842","","","","","","1.053","","","","has coordinates","294429","2024-09-05","23:15:02",""
"7133420","7.6693","0.0002","13.0042","0.0005","17.0867","0.0008","90","","90","","90","","1704.11","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 Br O -","- C22 H17 Br O -","- C88 H68 Br4 O4 -","4","1","","Li, Kai; Zhao, Zhengxing; Qin, Wenling; Liu, Yidong; Yan, Hailong","Catalytic asymmetric construction of bridged bicyclo[<i>m</i>.3.1] rings using an intramolecular Diels-Alder reaction.","Chemical communications (Cambridge, England)","2024","60","71","9570","9573","10.1039/d4cc02850c","","x-ray","0.71073","MoKα","","0.0793","0.0458","","","0.0725","0.0841","","","","","","1.04","","","","has coordinates","294429","2024-09-05","23:15:02",""
"7133421","8.151","0.006","12.057","0.009","19.765","0.015","90","","90","","90","","1942","3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H18 Br N O -","- C27 H18 Br N O -","- C108 H72 Br4 N4 O4 -","4","1","","Liu, Zi-Li; Wang, Yu-Xin; Yang, Zi-Qi; Yang, Yu-Heng; Liu, Yin-Ping; Hao, Wen-Juan; Jiang, Bo","Construction of central and axial chirality <i>via</i> Pd(II)/Bim-catalyzed asymmetric dearomative Michael reaction of polycyclic tropones.","Chemical communications (Cambridge, England)","2024","60","67","8908","8911","10.1039/d4cc03166k","","","0.71073","MoKα","","0.0671","0.0443","","","0.0879","0.0934","","","","","","1.067","","","","has coordinates","294457","2024-09-05","23:24:32",""
"7133422","12.2185","0.0017","12.7948","0.0017","16.259","0.002","95.049","0.007","93.58","0.007","102.198","0.007","2466.2","0.6","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","4BPy-mDTC","","- C58 H62 N4 O2.5 -","- C58 H62 N4 O2.5 -","- C116 H124 N8 O5 -","2","1","","Nanda, Gyana Prakash; Chand, Savita; Rajamanickam, Suresh; Rajamalli, Pachaiyappan","Single-component TADF gels: study of the positional isomer effect on gelation and morphological effect on conductivity.","Chemical communications (Cambridge, England)","2024","60","69","9234","9237","10.1039/d4cc02096k","","","0.71073","MoKα","","0.0696","0.059","","","0.1644","0.1742","","","","","","0.944","","","","has coordinates","294416","2024-09-05","23:10:54",""
"7133423","9.6433","0.0004","10.8253","0.0005","10.9474","0.0005","75.97","0.002","65.639","0.002","70.947","0.002","976.29","0.08","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H30 B P -","- C24 H30 B P -","- C48 H60 B2 P2 -","2","1","","Hoffmann, Kurt F.; Noriega, Rayni P.; Boyle, Paul D.; Drover, Marcus W.","2-Alkylphosphino-1-boraadamantanes.","Chemical communications (Cambridge, England)","2024","60","69","9222","9225","10.1039/d4cc02665a","","","0.71073","MoKα","","0.0345","0.0324","","","0.0857","0.0875","","","","","","1.046","","","","has coordinates","294414","2024-09-05","23:10:02",""
"7133424","7.1446","0.0008","12.0021","0.0013","21.825","0.002","90","","90","","90","","1871.5","0.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 B P -","- C23 H28 B P -","- C92 H112 B4 P4 -","4","1","","Hoffmann, Kurt F.; Noriega, Rayni P.; Boyle, Paul D.; Drover, Marcus W.","2-Alkylphosphino-1-boraadamantanes.","Chemical communications (Cambridge, England)","2024","60","69","9222","9225","10.1039/d4cc02665a","","","0.71073","MoKα","","0.0637","0.044","","","0.0855","0.0931","","","","","","1.053","","","","has coordinates,has disorder","294414","2024-09-05","23:10:02",""
"7133425","9.1755","0.0006","11.3395","0.0007","12.5538","0.0008","78.769","0.002","77.719","0.003","67.258","0.002","1167.84","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H37 B2 O P -","- C26 H37 B2 O P -","- C52 H74 B4 O2 P2 -","2","1","","Hoffmann, Kurt F.; Noriega, Rayni P.; Boyle, Paul D.; Drover, Marcus W.","2-Alkylphosphino-1-boraadamantanes.","Chemical communications (Cambridge, England)","2024","60","69","9222","9225","10.1039/d4cc02665a","","","0.71073","MoKα","","0.0428","0.0376","","","0.0975","0.1013","","","","","","1.041","","","","has coordinates","294414","2024-09-05","23:10:02",""
"7133426","15.2898","0.0007","12.3183","0.0005","19.1817","0.0008","90","","90","","90","","3612.8","0.3","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H36 B P -","- C19 H36 B P -","- C152 H288 B8 P8 -","8","1","","Hoffmann, Kurt F.; Noriega, Rayni P.; Boyle, Paul D.; Drover, Marcus W.","2-Alkylphosphino-1-boraadamantanes.","Chemical communications (Cambridge, England)","2024","60","69","9222","9225","10.1039/d4cc02665a","","","0.71073","MoKα","","0.0485","0.0462","","","0.1179","0.1203","","","","","","1.034","","","","has coordinates","294414","2024-09-05","23:10:02",""
"7133427","7.1927","0.0004","11.9175","0.0006","19.131","0.001","78.6195","0.0018","86.0612","0.0018","86.5573","0.0018","1602.04","0.15","110","","110","","","","","","","","","8","P -1","-P 1","2","","","","- C29 H53.5 Au B Cl N2 O0.75 P -","- C29 H53.5 Au B Cl N2 O0.75 P -","- C58 H107 Au2 B2 Cl2 N4 O1.5 P2 -","2","1","","Hoffmann, Kurt F.; Noriega, Rayni P.; Boyle, Paul D.; Drover, Marcus W.","2-Alkylphosphino-1-boraadamantanes.","Chemical communications (Cambridge, England)","2024","60","69","9222","9225","10.1039/d4cc02665a","","","0.71073","MoKα","","0.0406","0.0314","","","0.063","0.066","","","","","","1.04","","","","has coordinates,has disorder","294414","2024-09-05","23:10:02",""
"7133428","10.6781","0.0005","10.9251","0.0005","12.9656","0.0006","101.27","0.003","98.789","0.003","90.25","0.003","1465.06","0.12","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C56 H102 B2 N4 O0.5 P2 Pt -","- C56 H102 B2 N4 O0.5 P2 Pt -","- C56 H102 B2 N4 O0.5 P2 Pt -","1","0.5","","Hoffmann, Kurt F.; Noriega, Rayni P.; Boyle, Paul D.; Drover, Marcus W.","2-Alkylphosphino-1-boraadamantanes.","Chemical communications (Cambridge, England)","2024","60","69","9222","9225","10.1039/d4cc02665a","","","0.71073","MoKα","","0.0375","0.0371","","","0.0924","0.0927","","","","","","1.046","","","","has coordinates,has disorder","294414","2024-09-05","23:10:02",""
"7133429","13.62","0.008","10.375","0.006","13.264","0.007","90","","93.932","0.013","90","","1869.9","1.8","110","","110.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H38 B P -","- C20 H38 B P -","- C80 H152 B4 P4 -","4","1","","Hoffmann, Kurt F.; Noriega, Rayni P.; Boyle, Paul D.; Drover, Marcus W.","2-Alkylphosphino-1-boraadamantanes.","Chemical communications (Cambridge, England)","2024","60","69","9222","9225","10.1039/d4cc02665a","","","0.71073","MoKα","","0.0558","0.0364","","","0.0877","0.0973","","","","","","1.039","","","","has coordinates","294414","2024-09-05","23:10:02",""
"7133430","11.1805","0.0005","11.2066","0.0005","11.5832","0.0005","69.782","0.002","80.362","0.002","74.668","0.002","1308.78","0.1","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H46 B N2 P -","- C26 H46 B N2 P -","- C52 H92 B2 N4 P2 -","2","1","","Hoffmann, Kurt F.; Noriega, Rayni P.; Boyle, Paul D.; Drover, Marcus W.","2-Alkylphosphino-1-boraadamantanes.","Chemical communications (Cambridge, England)","2024","60","69","9222","9225","10.1039/d4cc02665a","","","0.71073","MoKα","","0.0482","0.0388","","","0.0979","0.1059","","","","","","1.047","","","","has coordinates","294414","2024-09-05","23:10:02",""
"7133431","9.3925","0.0017","12.469","0.002","11.765","0.002","90","","106.136","0.005","90","","1323.6","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 B F3 N O -","- C15 H11 B F3 N O -","- C60 H44 B4 F12 N4 O4 -","4","1","","Panigrahi, Pritishree; Ghosh, Subhendu; Khandelia, Tamanna; Tripathi, Gyanesh; Mandal, Raju; Patel, Bhisma K.","Harnessing reductive BF<sub>2</sub>-complexation <i>via</i> Ru(II)-catalyzed N-O cleavage of isoxazoles.","Chemical communications (Cambridge, England)","2024","60","68","9109","9112","10.1039/d4cc02816c","","","0.71073","MoKα","","0.0404","0.0344","","","0.088","0.0939","","","","","","1.053","","","","has coordinates","294441","2024-09-05","23:19:53",""
"7133432","9.277","0.0006","9.5602","0.0006","9.7665","0.0006","104.289","0.002","110.312","0.002","107.388","0.002","713.26","0.08","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 F N O2 -","- C18 H14 F N O2 -","- C36 H28 F2 N2 O4 -","2","1","","Zhang, Jinhui; Mao, Lihua; Liu, Chao; Tan, Xiangwen; Wu, Jiahao; Wei, Xuefeng; Wu, Wanqing; Jiang, Huanfeng","Palladium-catalyzed 1,1-aminoxylation of 3-butenoic acid with 2-alkynylanilines.","Chemical communications (Cambridge, England)","2024","60","70","9404","9407","10.1039/d4cc03099k","","","0.71073","MoKα","","0.1178","0.0529","","","0.1009","0.1309","","","","","","1.05","","","","has coordinates","294409","2024-09-05","23:07:59",""
"7133433","11.6692","0.0004","12.8126","0.0005","11.3946","0.0005","90","","97.665","0.003","90","","1688.42","0.12","110","0.1","110","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DRH-04-35","","- C18 H19 N3 O4 -","- C18 H19 N3 O4 -","- C72 H76 N12 O16 -","4","1","","Husbands, David R.; Booth, Elisha M.; Donaldson, Niall W. B.; Kapur, Nikil; Willans, Rebecca M.; Willans, Charlotte E.","Electrochemical removal of toxic metals from reaction media following catalysis.","Chemical communications (Cambridge, England)","2024","60","67","8876","8879","10.1039/d4cc02000f","","x-ray","1.54184","CuKα","","0.0418","0.0371","","","0.1024","0.1061","","","","","","1.048","","","","has coordinates","294458","2024-09-05","23:24:40",""
"7133434","12.1807","0.0001","11.6269","0.0001","19.3144","0.0002","90","","102.231","0.001","90","","2673.29","0.04","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H31 Cl3 N6 O -","- C26 H31 Cl3 N6 O -","- C104 H124 Cl12 N24 O4 -","4","1","","Choi, Taehyeon; Kim, Heechan; Kim, Younghun; Lee, Dongwhan","Urea-fused and π-extended single-benzene fluorophores with ultralarge Stokes shifts.","Chemical communications (Cambridge, England)","2024","60","68","9105","9108","10.1039/d4cc03389b","","x-ray","1.54184","CuKα","","0.0676","0.0657","","","0.1816","0.1841","","","","","","1.065","","","","has coordinates,has disorder","294440","2024-09-05","23:19:46",""
"7133435","8.6691","0.0005","21.3606","0.0011","18.6802","0.0011","90","","99.169","0.005","90","","3414.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H44 F2 N2 O4 -","- C38 H44 F2 N2 O4 -","- C152 H176 F8 N8 O16 -","4","1","","Roy, Barnali; Avasare, Vidya; Sarkar, Debayan","Tribromide enabled step-up generation of spirolactams from esters employing oxidative dearomatization of arenols.","Chemical communications (Cambridge, England)","2024","60","69","9206","9209","10.1039/d4cc02527j","","x-ray","0.71073","MoKα","","0.1094","0.0536","","","0.1332","0.1552","","","","","","0.961","","","","has coordinates","294418","2024-09-05","23:11:11",""
"7133436","14.2969","0.0017","6.8015","0.0006","18.834","0.002","90","","112.036","0.014","90","","1697.6","0.4","224","40","224","40","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","SMT-366","","- C21 H17 N O4 -","- C21 H17 N O4 -","- C84 H68 N4 O16 -","4","1","","Meena, Shivam A.; Thakur, Deepika; Nandy, Abhijit; Ranjan, Rahul; Rai, Anubhav; Banerjee, Shibdas; Verma, Akhilesh K.","Transition-metal free, radical oxidation of 1,6-enyne cyclopropanation: synthesis of aza-bicyclo[4.1.0]heptane derivatives.","Chemical communications (Cambridge, England)","2024","60","69","9230","9233","10.1039/d4cc02639j","","x-ray","0.71073","MoKα","","0.0865","0.0543","","","0.131","0.1469","","","","","","1.064","","","","has coordinates","294413","2024-09-05","23:09:30",""
"7133437","10.275","0.0005","6.3644","0.0003","12.1715","0.0006","90","","112.449","0.006","90","","735.63","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","SMT-238","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C38 H30 N2 O6 -","2","1","","Meena, Shivam A.; Thakur, Deepika; Nandy, Abhijit; Ranjan, Rahul; Rai, Anubhav; Banerjee, Shibdas; Verma, Akhilesh K.","Transition-metal free, radical oxidation of 1,6-enyne cyclopropanation: synthesis of aza-bicyclo[4.1.0]heptane derivatives.","Chemical communications (Cambridge, England)","2024","60","69","9230","9233","10.1039/d4cc02639j","","x-ray","0.71073","MoKα","","0.039","0.0355","","","0.0813","0.0832","","","","","","1.069","","","","has coordinates","294413","2024-09-05","23:09:30",""
"7133438","10.6199","0.0004","10.8504","0.0005","15.1555","0.0006","103.773","0.004","97.032","0.003","114.529","0.004","1493.92","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C72 H60 N4 O12 -","4","2","","Meena, Shivam A.; Thakur, Deepika; Nandy, Abhijit; Ranjan, Rahul; Rai, Anubhav; Banerjee, Shibdas; Verma, Akhilesh K.","Transition-metal free, radical oxidation of 1,6-enyne cyclopropanation: synthesis of aza-bicyclo[4.1.0]heptane derivatives.","Chemical communications (Cambridge, England)","2024","60","69","9230","9233","10.1039/d4cc02639j","","x-ray","0.71073","MoKα","","0.1049","0.0652","","","0.1858","0.2094","","","","","","1.07","","","","has coordinates","294413","2024-09-05","23:09:30",""
"7133439","8.757","0.004","9.973","0.004","11.506","0.004","103.314","0.011","100.861","0.012","113.664","0.011","850","0.6","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H15 F N2 -","- C22 H15 F N2 -","- C44 H30 F2 N4 -","2","1","","Zhou, Honggui; Li, Zhefeng; Chen, Juehong; Zhou, Si; Wang, Xinyu; Zhang, Linwei; Chen, Jiuxi; Lv, Ningning","Synthesis of polysubstituted pyridazines <i>via</i> Cu-mediated C(sp<sup>3</sup>)-C(sp<sup>3</sup>) coupling/annulation of saturated ketones with acylhydrazones.","Chemical communications (Cambridge, England)","2024","60","71","9546","9549","10.1039/d4cc02760d","","","0.71073","MoKα","","0.0952","0.0673","","","0.1716","0.199","","","","","","1.055","","","","has coordinates","294427","2024-09-05","23:14:25",""
"7133440","15.7265","0.0001","9.5019","0.0001","20.4394","0.0002","90","","97.157","0.001","90","","3030.5","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H66 Li2 O2 P4 Se2 -","- C70 H66 Li2 O2 P4 Se2 -","- C140 H132 Li4 O4 P8 Se4 -","2","0.5","","Duari, Prakash; Mondal, Sunita; Jörges, Mike; Gessner, Viktoria H.","The lithium effect in ketenyl anion chemistry.","Chemical communications (Cambridge, England)","2024","60","70","9372","9375","10.1039/d4cc03167a","","x-ray","1.54184","CuKα","","0.0364","0.0343","","","0.0879","0.0893","","","","","","1.045","","","","has coordinates","294410","2024-09-05","23:08:15",""
"7133441","23.832","0.0007","9.4158","0.0002","11.2461","0.0003","90","","103.328","0.003","90","","2455.63","0.11","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C46 H66 Li2 N6 O2 P2 Se2 -","- C46 H66 Li2 N6 O2 P2 Se2 -","- C92 H132 Li4 N12 O4 P4 Se4 -","2","0.5","","Duari, Prakash; Mondal, Sunita; Jörges, Mike; Gessner, Viktoria H.","The lithium effect in ketenyl anion chemistry.","Chemical communications (Cambridge, England)","2024","60","70","9372","9375","10.1039/d4cc03167a","","x-ray","1.54184","CuKα","","0.0627","0.0571","","","0.153","0.1781","","","","","","1.102","","","","has coordinates","294410","2024-09-05","23:08:15",""
"7133442","14.7042","0.0002","11.1057","0.0001","18.8325","0.0002","90","","106.001","0.001","90","","2956.21","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H66 Li2 O2 P4 S2 -","- C70 H66 Li2 O2 P4 S2 -","- C140 H132 Li4 O4 P8 S4 -","2","0.5","","Duari, Prakash; Mondal, Sunita; Jörges, Mike; Gessner, Viktoria H.","The lithium effect in ketenyl anion chemistry.","Chemical communications (Cambridge, England)","2024","60","70","9372","9375","10.1039/d4cc03167a","","x-ray","1.54184","CuKα","","0.0382","0.0343","","","0.09","0.0922","","","","","","1.016","","","","has coordinates","294410","2024-09-05","23:08:15",""
"7133443","14.2502","0.0003","15.4854","0.0003","15.5126","0.0003","90.527","0.002","91.99","0.002","100.3","0.002","3365.56","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H36 Li2 O6 P2 -","- C36 H36 Li2 O6 P2 -","- C144 H144 Li8 O24 P8 -","4","2","","Duari, Prakash; Mondal, Sunita; Jörges, Mike; Gessner, Viktoria H.","The lithium effect in ketenyl anion chemistry.","Chemical communications (Cambridge, England)","2024","60","70","9372","9375","10.1039/d4cc03167a","","x-ray","1.54184","CuKα","","0.0785","0.066","","","0.1834","0.2099","","","","","","1.157","","","","has coordinates","294410","2024-09-05","23:08:15",""
"7133444","9.248","0.003","12.097","0.004","22.961","0.008","90","","100.211","0.006","90","","2528","1.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H33 B O2 -","- C30 H33 B O2 -","- C120 H132 B4 O8 -","4","1","","Sun, Fei; Zheng, Yiyi; Wu, Mingxia; Ji, Hongsen; Jiang, Zhongyao; Liu, Chenglin; Wu, Xin-Xing","Three-component cascade carbopalladation/Heck cyclization/borylation: facile access to boryl-functionalized indenes.","Chemical communications (Cambridge, England)","2024","60","62","8075","8078","10.1039/d4cc02591a","","","0.71073","MoKα","","0.0879","0.0752","","","0.252","0.2784","","","","","","1.049","","","","has coordinates","293664","2024-08-04","01:57:16",""
"7133445","8.649","0.007","13.234","0.007","13.312","0.008","107.837","0.01","95.839","0.01","96.84","0.007","1424.7","1.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H29 B F6 O2 -","- C31 H29 B F6 O2 -","- C62 H58 B2 F12 O4 -","2","1","","Sun, Fei; Zheng, Yiyi; Wu, Mingxia; Ji, Hongsen; Jiang, Zhongyao; Liu, Chenglin; Wu, Xin-Xing","Three-component cascade carbopalladation/Heck cyclization/borylation: facile access to boryl-functionalized indenes.","Chemical communications (Cambridge, England)","2024","60","62","8075","8078","10.1039/d4cc02591a","","","0.71073","MoKα","","0.157","0.1046","","","0.2353","0.2669","","","","","","1.001","","","","has coordinates","293664","2024-08-04","01:57:47",""
"7133446","12.433","0.003","20.341","0.004","18.392","0.004","90","","90.85","0.03","90","","4650.8","1.8","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H60 Br Cl4 N4 O2 -","- C48 H60 Br Cl4 N4 O2 -","- C192 H240 Br4 Cl16 N16 O8 -","4","0.5","","Song, Yuna; Song, Hayoung; Choi, Yunseop; Seo, Jongcheol; Lee, Eunsung","Synthesis of sterically congested unsymmetrical 1,2-dicarbonyl radicals through a stepwise approach.","Chemical communications (Cambridge, England)","2024","60","62","8043","8046","10.1039/d4cc02092h","","","0.7","synchrotron","","0.116","0.0873","","","0.248","0.285","","","","","","1.143","","","","has coordinates,has disorder","293665","2024-08-04","01:59:46",""
"7133447","10.837","0.002","21.536","0.004","22.074","0.004","90","","97.33","0.03","90","","5109.7","1.7","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H62 Cl3 N4 O2 -","- C51 H62 Cl3 N4 O2 -","- C204 H248 Cl12 N16 O8 -","4","1","","Song, Yuna; Song, Hayoung; Choi, Yunseop; Seo, Jongcheol; Lee, Eunsung","Synthesis of sterically congested unsymmetrical 1,2-dicarbonyl radicals through a stepwise approach.","Chemical communications (Cambridge, England)","2024","60","62","8043","8046","10.1039/d4cc02092h","","","0.7","synchrotron","","0.1447","0.0999","","","0.2906","0.3294","","","","","","1.14","","","","has coordinates,has disorder","293665","2024-08-04","01:59:56",""
"7133448","11.588","0.002","18.52","0.004","17.078","0.003","90","","92.11","0.03","90","","3662.6","1.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H56 Cl N4 O3 -","- C38 H56 Cl N4 O3 -","- C152 H224 Cl4 N16 O12 -","4","1","","Song, Yuna; Song, Hayoung; Choi, Yunseop; Seo, Jongcheol; Lee, Eunsung","Synthesis of sterically congested unsymmetrical 1,2-dicarbonyl radicals through a stepwise approach.","Chemical communications (Cambridge, England)","2024","60","62","8043","8046","10.1039/d4cc02092h","","","0.7","synchrotron","","0.192","0.074","","","0.1675","0.1976","","","","","","0.884","","","","has coordinates","293665","2024-08-04","02:00:12",""
"7133449","11.704","0.002","16.986","0.003","19.521","0.004","87.59","0.03","88.68","0.03","81.55","0.03","3834.8","1.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H54 Cl N4 O3 -","- C37 H54 Cl N4 O3 -","- C148 H216 Cl4 N16 O12 -","4","2","","Song, Yuna; Song, Hayoung; Choi, Yunseop; Seo, Jongcheol; Lee, Eunsung","Synthesis of sterically congested unsymmetrical 1,2-dicarbonyl radicals through a stepwise approach.","Chemical communications (Cambridge, England)","2024","60","62","8043","8046","10.1039/d4cc02092h","","","0.7","synchrotron","","0.1329","0.0733","","","0.183","0.2081","","","","","","1.06","","","","has coordinates","293665","2024-08-04","02:00:15",""
"7133450","24.135","0.005","22.011","0.004","21.701","0.004","90","","122.41","0.03","90","","9733","5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H66 Cl N4 O3 -","- C51 H66 Cl N4 O3 -","- C408 H528 Cl8 N32 O24 -","8","1","","Song, Yuna; Song, Hayoung; Choi, Yunseop; Seo, Jongcheol; Lee, Eunsung","Synthesis of sterically congested unsymmetrical 1,2-dicarbonyl radicals through a stepwise approach.","Chemical communications (Cambridge, England)","2024","60","62","8043","8046","10.1039/d4cc02092h","","","0.7","synchrotron","","0.1132","0.0597","","","0.1462","0.1668","","","","","","0.95","","","","has coordinates","293665","2024-08-04","02:00:20",""
"7133451","10.2217","0.0003","11.1542","0.0003","13.1904","0.0004","95.111","0.001","94.018","0.001","111.248","0.001","1387.58","0.07","273.15","","273.15","","","","","","","","","5","P 1","P 1","1","","KC1247","","- C62 H51.35 N6 O6 S2 -","- C54 H35.35 N6 O2 S2 -","- C54 H35.35 N6 O2 S2 -","1","1","","Choudhary, Kavita; Deshpande, Akanksha Santosh; Singh, Vinod K.","Ag(I)-catalyzed asymmetric (2+4) annulation reaction of 5-alkenyl thiazolones: synthesis of enantioenriched spiro[cyclohexenamines-thiazolones].","Chemical communications (Cambridge, England)","2024","60","68","9062","9065","10.1039/d4cc02957g","","","0.71073","MoKα","","0.064","0.0576","","","0.1424","0.1486","","","","","","1.024","","","","has coordinates,has disorder","294439","2024-09-05","23:19:38",""
"7133452","19.087","0.0006","13.1972","0.0004","17.36","0.0006","90","","116.135","0.001","90","","3925.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 Cu I3 P2 -","- C40 H40 Cu I3 P2 -","- C160 H160 Cu4 I12 P8 -","4","1","","Liu, Xia; Li, Bohan; Jin, Jiance; Yang, Lin; Xia, Zhiguo; Xu, Yan","Solvent-induced structural regulation and luminescence switching of hybrid copper(I) halides for encryption and anti-counterfeiting applications.","Chemical communications (Cambridge, England)","2024","60","68","9034","9037","10.1039/d4cc03540b","","","0.71073","MoKα","","0.05","0.0285","","","0.051","0.0566","","","","","","1.014","","","","has coordinates","295164","2024-10-06","06:28:37",""
"7133453","8.679","0.0002","20.4707","0.0004","11.8536","0.0002","90","","96.136","0.002","90","","2093.91","0.07","100.5","0.6","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","C20CuI2P","","- C20 H20 Cu I2 P -","- C20 H20 Cu I2 P -","- C80 H80 Cu4 I8 P4 -","4","1","","Liu, Xia; Li, Bohan; Jin, Jiance; Yang, Lin; Xia, Zhiguo; Xu, Yan","Solvent-induced structural regulation and luminescence switching of hybrid copper(I) halides for encryption and anti-counterfeiting applications.","Chemical communications (Cambridge, England)","2024","60","68","9034","9037","10.1039/d4cc03540b","","","0.71073","MoKα","","0.0349","0.028","","","0.0597","0.0625","","","","","","1.037","","","","has coordinates","295164","2024-10-06","06:28:38",""
"7133454","12.7409","0.0003","25.0723","0.0005","7.9544","0.0002","90","","106.194","0.002","90","","2440.16","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cu3 I4 P -","- C20 H20 Cu3 I4 P -","- C80 H80 Cu12 I16 P4 -","4","1","","Liu, Xia; Li, Bohan; Jin, Jiance; Yang, Lin; Xia, Zhiguo; Xu, Yan","Solvent-induced structural regulation and luminescence switching of hybrid copper(I) halides for encryption and anti-counterfeiting applications.","Chemical communications (Cambridge, England)","2024","60","68","9034","9037","10.1039/d4cc03540b","","","0.71073","MoKα","","0.0383","0.0326","","","0.0722","0.0748","","","","","","1.051","","","","has coordinates","295164","2024-10-06","06:28:38",""
"7133455","4.9064","0.0003","9.622","0.0005","19.4077","0.001","90","","90","","90","","916.23","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 Cl F O -","- C10 H10 Cl F O -","- C40 H40 Cl4 F4 O4 -","4","1","","He, Bin; Chen, Gen-Qiang; Zhang, Xumu","Highly efficient synthesis of enantioenriched vicinal halohydrins <i>via</i> Ir-catalyzed asymmetric hydrogenation using dynamic kinetic resolution.","Chemical communications (Cambridge, England)","2024","60","72","9785","9788","10.1039/d4cc02529f","","x-ray","0.71073","MoKα","","0.0293","0.0259","","","0.0603","0.0624","","","","","","1.052","","","","has coordinates","295155","2024-10-06","06:24:27",""
"7133456","8.7032","0.0009","4.8645","0.0005","11.7272","0.0012","90","","110.291","0.003","90","","465.68","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H8 Cl2 O2 -","- C9 H8 Cl2 O2 -","- C18 H16 Cl4 O4 -","2","1","","He, Bin; Chen, Gen-Qiang; Zhang, Xumu","Highly efficient synthesis of enantioenriched vicinal halohydrins <i>via</i> Ir-catalyzed asymmetric hydrogenation using dynamic kinetic resolution.","Chemical communications (Cambridge, England)","2024","60","72","9785","9788","10.1039/d4cc02529f","","x-ray","1.54178","CuKα","","0.0552","0.055","","","0.1327","0.1328","","","","","","1.172","","","","has coordinates,has disorder","295155","2024-10-06","06:24:27",""
"7133457","16.083","0.015","19.232","0.017","5.595","0.005","90","","90","","90","","1731","3","169.04","","169.04","","","","","","","","","4","P n a 21","P 2c -2n","33","","SPIROOXINDOLE1","","- C20 H18 N4 O2 -","- C20 H18 N3.985 O2 -","- C80 H72 N15.94 O8 -","4","1","","Maiti, Sandip; Parui, Nabin; Halder, Joydev; Dash, Jyotirmayee","Synthesis of triazole-fused tetracyclic spirooxindole derivatives <i>via</i> metal-free Huisgen cycloaddition.","Chemical communications (Cambridge, England)","2024","60","73","10009","10012","10.1039/d4cc02534b","","","0.71073","MoKα","","0.0524","0.0384","","","0.0895","0.1001","","","","","","1.064","","","","has coordinates,has disorder","295098","2024-10-06","05:05:37",""
"7133458","9.422","0.004","20.895","0.01","7.919","0.004","90","","106.63","0.018","90","","1493.8","1.2","229.07","","229.07","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Spirooxindole2","","- C17 H18 N4 O -","- C17 H18 N4 O -","- C68 H72 N16 O4 -","4","1","","Maiti, Sandip; Parui, Nabin; Halder, Joydev; Dash, Jyotirmayee","Synthesis of triazole-fused tetracyclic spirooxindole derivatives <i>via</i> metal-free Huisgen cycloaddition.","Chemical communications (Cambridge, England)","2024","60","73","10009","10012","10.1039/d4cc02534b","","x-ray","0.71073","MoKα","","0.0904","0.0672","","","0.1686","0.1874","","","","","","1.032","","","","has coordinates","295098","2024-10-06","05:05:44",""
"7133459","13.0649","0.0004","14.1192","0.0005","15.099","0.0006","79.524","0.006","69.725","0.005","87.357","0.006","2568.7","0.19","173","2","173.15","","","","","","","","","10","P -1","-P 1","2","","","","- C50 H43 Cl2 F6 Ir N4 O6 P2 Ru S2 -","- C50 H38 Cl2 F6 Ir N4 O6 P2 Ru S2 -","- C100 H76 Cl4 F12 Ir2 N8 O12 P4 Ru2 S4 -","2","1","","Kawaji, Kanade; Tsujiwaki, Mina; Kiso, Ayaka; Kitajo, Yukina; Kitamura, Manami; Nishimura, Minako; Horikawa, Junya; Ikushuma, Haruto; Takemoto, Shin; Matsuzaka, Hiroyuki","Bimetallic Ru-Ir/Rh complexes for catalytic allyl alcohol reduction to propylene.","Chemical communications (Cambridge, England)","2024","60","70","9424","9427","10.1039/d4cc01711k","","","0.71075","MoKα","","0.046","0.032","","","0.0651","0.0689","","","","","","1.044","","","","has coordinates,has disorder","294406","2024-09-05","23:07:07",""
"7133460","12.87","0.0006","13.8567","0.0006","14.2225","0.0007","99.607","0.007","95.647","0.007","92.404","0.007","2484.3","0.2","173","2","173.15","","","","","","","","","9","P -1","-P 1","2","","","","- C50 H45 F6 N4 O7 P2 Rh Ru S2 -","- C50 H40 F6 N4 O7 P2 Rh Ru S2 -","- C100 H80 F12 N8 O14 P4 Rh2 Ru2 S4 -","2","1","","Kawaji, Kanade; Tsujiwaki, Mina; Kiso, Ayaka; Kitajo, Yukina; Kitamura, Manami; Nishimura, Minako; Horikawa, Junya; Ikushuma, Haruto; Takemoto, Shin; Matsuzaka, Hiroyuki","Bimetallic Ru-Ir/Rh complexes for catalytic allyl alcohol reduction to propylene.","Chemical communications (Cambridge, England)","2024","60","70","9424","9427","10.1039/d4cc01711k","","","0.71075","MoKα","","0.0488","0.038","","","0.0937","0.0982","","","","","","1.101","","","","has coordinates,has disorder","294406","2024-09-05","23:07:07",""
"7133461","10.3466","0.0005","13.4938","0.0006","19.4429","0.0008","99.672","0.007","102.51","0.007","106.984","0.007","2455.5","0.3","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H53 B2 F8 Fe Ir N4 P2 -","- C50 H52 B2 F8 Fe Ir N4 P2 -","- C100 H104 B4 F16 Fe2 Ir2 N8 P4 -","2","1","","Kawaji, Kanade; Tsujiwaki, Mina; Kiso, Ayaka; Kitajo, Yukina; Kitamura, Manami; Nishimura, Minako; Horikawa, Junya; Ikushuma, Haruto; Takemoto, Shin; Matsuzaka, Hiroyuki","Bimetallic Ru-Ir/Rh complexes for catalytic allyl alcohol reduction to propylene.","Chemical communications (Cambridge, England)","2024","60","70","9424","9427","10.1039/d4cc01711k","","","0.71075","MoKα","","0.028","0.0217","","","0.0492","0.0509","","","","","","1.058","","","","has coordinates","294406","2024-09-05","23:07:07",""
"7133462","10.2333","0.0003","10.331","0.0002","18.608","0.0004","90","","91.011","0.002","90","","1966.94","0.08","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","n/a","n/a","","- C22 H29 N3 O -","- C22 H29 N3 O -","- C88 H116 N12 O4 -","4","1","","Maestri, Claudio; Minazzi, Paolo; Grell, Toni; Colombo, Valentina; Lattuada, Luciano; Giovenzana, Giovanni B.; Travagin, Fabio","A serendipitous one-pot synthesis of the octahydro-2<i>H</i>-pyrazino[1,2-<i>a</i>]pyrazine core.","Chemical communications (Cambridge, England)","2024","60","70","9428","9431","10.1039/d4cc03596h","","","0.71073","MoKα","","0.0447","0.0409","","","0.1111","0.1143","","","","","","1.032","","","","has coordinates","295095","2024-10-06","05:02:16",""
"7133463","7.445","0.0001","10.9474","0.0001","11.9878","0.0001","90","","97.505","0.001","90","","968.676","0.018","100","0.1","100","10","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H27 N O3 -","- C24 H27 N O3 -","- C48 H54 N2 O6 -","2","1","","Murmu, Ranjit; Kundu, Sourav; Majhi, Moumita; Pal, Souvik; Mondal, Abhishek; Bisai, Alakesh","Total synthesis of (+)-oridamycins A and B.","Chemical communications (Cambridge, England)","2024","60","72","9737","9740","10.1039/d4cc03070b","","","1.54184","CuKα","","0.0312","0.0306","","","0.0793","0.0801","","","","","","1.048","","","","has coordinates","295163","2024-10-06","06:28:13",""
"7133464","8.359","0.0003","8.9229","0.0003","9.209","0.0003","99.654","0.003","111.823","0.003","91.082","0.003","626.13","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H34 Al4 N2 O2 -","- C18 H34 Al4 N2 O2 -","- C18 H34 Al4 N2 O2 -","1","0.5","","Korona, Krzesimir; Justyniak, Iwona; Pogrebetsky, James; Lemieszka, Marta; Bernatowicz, Piotr; Pietrzykowski, Antoni; Kubas, Adam; Lewiński, Janusz","Controlled hydrolysis of AlMe<sub>3</sub> to tetramethylalumoxane and a new look at incipient adducts with water.","Chemical communications (Cambridge, England)","2024","60","70","9392","9395","10.1039/d4cc03672g","","x-ray","1.54184","CuKα","","0.0342","0.0334","","","0.0923","0.0928","","","","","","1.064","","","","has coordinates","295096","2024-10-06","05:03:13",""
"7133465","8.118","0.0004","13.749","0.0006","14.0249","0.0004","86.298","0.003","77.725","0.003","73.794","0.004","1468.79","0.11","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H44 Al4 N4 O2 -","- C22 H44 Al4 N4 O2 -","- C44 H88 Al8 N8 O4 -","2","1","","Korona, Krzesimir; Justyniak, Iwona; Pogrebetsky, James; Lemieszka, Marta; Bernatowicz, Piotr; Pietrzykowski, Antoni; Kubas, Adam; Lewiński, Janusz","Controlled hydrolysis of AlMe<sub>3</sub> to tetramethylalumoxane and a new look at incipient adducts with water.","Chemical communications (Cambridge, England)","2024","60","70","9392","9395","10.1039/d4cc03672g","","x-ray","1.54184","CuKα","","0.0461","0.039","","","0.1025","0.1044","","","","","","1.087","","","","has coordinates","295096","2024-10-06","05:03:23",""
"7133466","13.8237","0.0007","50.84","0.001","12.4078","0.0005","90","","90","","90","","8720.2","0.6","200","2","200","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C23 H18 F6 N3 O1.5 S -","- C23 H17 F6 N3 O S -","- C368 H272 F96 N48 O16 S16 -","16","1","","Giannessi, Lisa; Longo, Matteo; Massera, Chiara; Radi, Marco","Late-stage functionalization of the 4-amino-2-pyridone chemotype using electrochemical and MCR approaches.","Chemical communications (Cambridge, England)","2024","60","81","11500","11503","10.1039/d4cc02473g","","","1.54178","CuKα","","0.0469","0.0371","","","0.0927","0.0995","","","","","","1.014","","","","has coordinates","296271","2024-12-06","15:03:12",""
"7133467","10.964","0.0007","14.7925","0.0009","19.047","0.0009","79.382","0.002","87.727","0.002","73.299","0.002","2907.9","0.3","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C48.5 H34.5 Cl7.5 F12 N6 O2 S4 -","- C48 H34 Cl6 F12 N6 O2 S4 -","- C96 H68 Cl12 F24 N12 O4 S8 -","2","1","","Giannessi, Lisa; Longo, Matteo; Massera, Chiara; Radi, Marco","Late-stage functionalization of the 4-amino-2-pyridone chemotype using electrochemical and MCR approaches.","Chemical communications (Cambridge, England)","2024","60","81","11500","11503","10.1039/d4cc02473g","","","1.54178","CuKα","","0.1016","0.0989","","","0.3598","0.375","","","","","","1.017","","","","has coordinates,has disorder","296271","2024-12-06","15:03:12",""
"7133468","6.267","0.0004","24.5964","0.0017","8.687","0.0006","90","","97.236","0.002","90","","1328.4","0.16","100","1","100","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O4 -","- C16 H16 O4 -","- C64 H64 O16 -","4","1","","Wittmann, Stéphane; Deschamps, Elodie; Bournaud, Chloée; Guillot, Regis; Brière, Jean-François; Vo-Thanh, Giang; Toffano, Martial","Auto tandem triple cascade organocatalysis: access to bis-lactone and butenolide derivatives.","Chemical communications (Cambridge, England)","2024","60","69","9278","9281","10.1039/d4cc03029j","","","0.71073","MoKα","","0.1427","0.0633","","","0.1161","0.1257","","","","","","1.011","","","","has coordinates","294417","2024-09-05","23:11:02",""
"7133469","5.624","0.004","25.714","0.014","11.107","0.005","90","","103.105","0.019","90","","1564.4","1.6","200","","200","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bruker D8- Venture","","- C15 H12 F3 N O3 S -","- C15 H12 F3 N O3 S -","- C60 H48 F12 N4 O12 S4 -","4","1","","Sharma, Alpa; Govande, Vijaya; Mahajan, Shivangani; Sawant, Sanghapal D.","2,3-Difunctionalization of quinones: a gold-catalyzed cascade approach for trifluoromethyl-amination or sulfoximination.","Chemical communications (Cambridge, England)","2024","60","71","9598","9601","10.1039/d4cc01891e","","","0.71073","MoKα","","0.1198","0.0954","","","0.2433","0.2534","","","","","","1.0548","","","","has coordinates","294428","2024-09-05","23:14:42",""
"7133470","19.6265","0.0004","19.6265","0.0004","13.3507","0.0003","90","","90","","120","","4453.69","0.16","100","1","100","1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C16 H7 Cl4 O9.5 Pb2 -","- C16 H7 Cl4 O9.5 Pb2 -","- C144 H63 Cl36 O85.5 Pb18 -","9","0.5","","Khan, Samim; Naaz, Sanobar; Ahmad, Shamim; Gomila, Rosa M.; Chanthapally, Anjana; Frontera, Antonio; Mir, Mohammad Hedayetullah","Impact of halogen⋯halogen interaction on the mechanical motion of a 3D Pb(II) coordination polymer of elusive topology.","Chemical communications (Cambridge, England)","2024","60","75","10370","10373","10.1039/d4cc03746d","","","0.71073","MoKα","","0.0257","0.0232","","","0.0501","0.0508","","","","","","1.08","","","","has coordinates","295126","2024-10-06","05:49:06",""
"7133471","19.6501","0.0003","19.6501","0.0003","13.3615","0.0002","90","","90","","120","","4468.02","0.12","100","1","100","1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C8 H3.6 Cl2 O4.8 Pb -","- C8 H3.6 Cl2 O4.8 Pb -","- C144 H64.8 Cl36 O86.4 Pb18 -","18","1","","Khan, Samim; Naaz, Sanobar; Ahmad, Shamim; Gomila, Rosa M.; Chanthapally, Anjana; Frontera, Antonio; Mir, Mohammad Hedayetullah","Impact of halogen⋯halogen interaction on the mechanical motion of a 3D Pb(II) coordination polymer of elusive topology.","Chemical communications (Cambridge, England)","2024","60","75","10370","10373","10.1039/d4cc03746d","","","0.71073","MoKα","","0.0253","0.0222","","","0.046","0.0468","","","","","","1.066","","","","has coordinates","295126","2024-10-06","05:49:23",""
"7133472","19.8059","0.0002","19.8059","0.0002","13.3701","0.0002","90","","90","","120","","4542.08","0.09","100","1","100","1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C8 H3.814 Cl2 O4.907 Pb -","- C8 H3.82 Cl2 O4.91 Pb -","- C144 H68.76 Cl36 O88.38 Pb18 -","18","1","","Khan, Samim; Naaz, Sanobar; Ahmad, Shamim; Gomila, Rosa M.; Chanthapally, Anjana; Frontera, Antonio; Mir, Mohammad Hedayetullah","Impact of halogen⋯halogen interaction on the mechanical motion of a 3D Pb(II) coordination polymer of elusive topology.","Chemical communications (Cambridge, England)","2024","60","75","10370","10373","10.1039/d4cc03746d","","","1.54184","CuKα","","0.1322","0.131","","","0.3811","0.3836","","","","","","1.832","","","","has coordinates","295126","2024-10-06","05:49:24",""
"7133473","9.2612","0.0017","12.665","0.003","9.3535","0.0018","90","","114.94","0.007","90","","994.8","0.4","260","","260","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H24 Cl6 N2 O2 Sn -","- C8 H24 Cl6 N2 O2 Sn -","- C16 H48 Cl12 N4 O4 Sn2 -","2","1","","Cai, Zhuoer; Yinan, Zhang; Chen, Jian; He, Xiaofan; Zhang, Ziyue; Hua, Xiu-Ni; Sun, Baiwang","Symmetry breaking through molecular engineering to achieve ""on-off-on"" nonlinear optical switch in a [SnCl<sub>6</sub>]<sup>2-</sup> framework.","Chemical communications (Cambridge, England)","2024","60","70","9412","9415","10.1039/d4cc03006k","","x-ray","0.71073","MoKα","","0.0344","0.0315","","","0.0718","0.0737","","","","","","1.034","","","","has coordinates","294408","2024-09-05","23:07:48",""
"7133474","13.017","0.006","13.017","0.006","13.017","0.006","90","","90","","90","","2205.6","1.8","400","","400","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C8 H24 Cl6 N2 Sn -","- C8 H24.0048 Cl6 N2 Sn -","- C32 H96.0192 Cl24 N8 Sn4 -","4","0.0208333","","Cai, Zhuoer; Yinan, Zhang; Chen, Jian; He, Xiaofan; Zhang, Ziyue; Hua, Xiu-Ni; Sun, Baiwang","Symmetry breaking through molecular engineering to achieve ""on-off-on"" nonlinear optical switch in a [SnCl<sub>6</sub>]<sup>2-</sup> framework.","Chemical communications (Cambridge, England)","2024","60","70","9412","9415","10.1039/d4cc03006k","","x-ray","0.71073","MoKα","","0.0437","0.0429","","","0.1422","0.1445","","","","","","1.225","","","","has coordinates,has disorder","294408","2024-09-05","23:07:49",""
"7133475","9.6998","0.0009","9.6998","0.0009","12.6019","0.0018","90","","90","","120","","1026.8","0.2","400","","400","","","","","","","","","6","P 63 m c","P 6c -2c","186","","","","- C8 H24 Cl6 N2 O2 Sn -","- C8.0016 H24.0048 Cl6 N1.5003 O2.0004 Sn -","- C16.0032 H48.0096 Cl12 N3.0006 O4.0008 Sn2 -","2","0.166667","","Cai, Zhuoer; Yinan, Zhang; Chen, Jian; He, Xiaofan; Zhang, Ziyue; Hua, Xiu-Ni; Sun, Baiwang","Symmetry breaking through molecular engineering to achieve ""on-off-on"" nonlinear optical switch in a [SnCl<sub>6</sub>]<sup>2-</sup> framework.","Chemical communications (Cambridge, England)","2024","60","70","9412","9415","10.1039/d4cc03006k","","x-ray","0.71073","MoKα","","0.0559","0.0481","","","0.1329","0.1453","","","","","","1.014","","","","has coordinates,has disorder","294408","2024-09-05","23:07:49",""
"7133476","14.3092","0.0014","10.9809","0.0014","13.651","0.0014","90","","90","","90","","2145","0.4","363","","363","","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C8 H24 Cl6 N2 O2 Sn -","- C8 H24 Cl6 N2 O2 Sn -","- C32 H96 Cl24 N8 O8 Sn4 -","4","0.25","","Cai, Zhuoer; Yinan, Zhang; Chen, Jian; He, Xiaofan; Zhang, Ziyue; Hua, Xiu-Ni; Sun, Baiwang","Symmetry breaking through molecular engineering to achieve ""on-off-on"" nonlinear optical switch in a [SnCl<sub>6</sub>]<sup>2-</sup> framework.","Chemical communications (Cambridge, England)","2024","60","70","9412","9415","10.1039/d4cc03006k","","x-ray","0.71073","MoKα","","0.06","0.0422","","","0.1263","0.1442","","","","","","1.028","","","","has coordinates,has disorder","294408","2024-09-05","23:07:49",""
"7133477","25.724","0.004","25.724","0.004","25.724","0.004","90","","90","","90","","17022","5","300","","300","","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C8 H24 Cl6 N2 Sn -","- C8 H23.9994 Cl6 N2 Sn -","- C256 H767.981 Cl192 N64 Sn32 -","32","0.166667","","Cai, Zhuoer; Yinan, Zhang; Chen, Jian; He, Xiaofan; Zhang, Ziyue; Hua, Xiu-Ni; Sun, Baiwang","Symmetry breaking through molecular engineering to achieve ""on-off-on"" nonlinear optical switch in a [SnCl<sub>6</sub>]<sup>2-</sup> framework.","Chemical communications (Cambridge, England)","2024","60","70","9412","9415","10.1039/d4cc03006k","","x-ray","0.71073","MoKα","","0.0503","0.0316","","","0.0742","0.0897","","","","","","1.101","","","","has coordinates,has disorder","294408","2024-09-05","23:07:49",""
"7133478","10.153","0.007","11.686","0.008","13.651","0.01","89.533","0.019","73.197","0.017","64.696","0.015","1389.2","1.7","100.02","","100","2","","","","","","","","6","P -1","-P 1","2","","[[tBu,TolDHP]CoOK]2","","- C28 H34 Co K N5 O -","- C28 H34 Co K N5 O -","- C56 H68 Co2 K2 N10 O2 -","2","1","","Anferov, Sophie W.; Krupinski, Alexandra; Anderson, John S.","Synthesis of a potassium capped terminal cobalt-oxido complex.","Chemical communications (Cambridge, England)","2024","60","71","9562","9565","10.1039/d4cc03014a","","","0.71073","MoKα","","0.288","0.1435","","","0.3264","0.4058","","","","","","1.115","","","","has coordinates","294426","2024-09-05","23:14:17",""
"7133479","8.9652","0.0006","11.2879","0.0007","27.8086","0.0017","90","","90","","90","","2814.2","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","[[tBu,TolDHP]Co](MeCN)","","- C30 H37 Co N6 -","- C30 H37 Co N6 -","- C120 H148 Co4 N24 -","4","1","","Anferov, Sophie W.; Krupinski, Alexandra; Anderson, John S.","Synthesis of a potassium capped terminal cobalt-oxido complex.","Chemical communications (Cambridge, England)","2024","60","71","9562","9565","10.1039/d4cc03014a","","","0.71073","MoKα","","0.0709","0.0459","","","0.0727","0.0791","","","","","","1.061","","","","has coordinates","294426","2024-09-05","23:14:17",""
"7133480","18.947","0.003","16.244","0.003","15.993","0.003","90","","104.238","0.002","90","","4771","1.5","296","2","296","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H22 N4 O2 -","- C31 H22 N4 O2 -","- C248 H176 N32 O16 -","8","1","","Shen, Xi; Yu, Zhi-Cheng; Zhou, You; Wu, Yan-Dong; Wu, An-Xin","Divergent synthesis of pyrrolidone fused pyrimido[1,2-<i>b</i>]indazole through selective trapping of an enone intermediate by 1<i>H</i>-indazol-3-amine.","Chemical communications (Cambridge, England)","2024","60","72","9781","9784","10.1039/d4cc03483j","","","0.71073","MoKα","","0.0599","0.0444","","","0.1291","0.1456","","","","","","1.026","","","","has coordinates","295162","2024-10-06","06:28:06",""
"7133481","12.761","0.002","11.663","0.002","19.57","0.003","90","","107.371","0.003","90","","2779.8","0.8","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 F N4 O3 S -","- C32 H26 F N4 O3 S -","- C128 H104 F4 N16 O12 S4 -","4","1","","Shen, Xi; Yu, Zhi-Cheng; Zhou, You; Wu, Yan-Dong; Wu, An-Xin","Divergent synthesis of pyrrolidone fused pyrimido[1,2-<i>b</i>]indazole through selective trapping of an enone intermediate by 1<i>H</i>-indazol-3-amine.","Chemical communications (Cambridge, England)","2024","60","72","9781","9784","10.1039/d4cc03483j","","","0.71073","MoKα","","0.1187","0.0702","","","0.1588","0.1845","","","","","","1.04","","","","has coordinates,has disorder","295162","2024-10-06","06:28:06",""
"7133482","7.5054","0.0002","10.0086","0.0002","8.5104","0.0002","90","","110.518","0.002","90","","598.73","0.03","302.44","0.1","302.44","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C26 H30 N2 O8 -","2","1","","Tian, Jin-Rui; Qiao, Yu-Hao; Zhuang, Qing-Bo; Fan, Rong; Li, Zhen; Zhang, Xiao-Ming; Zhang, Fu-Min; Tu, Yong-Qiang","Organo-cation catalyzed enantioselective α-hydroxylation of pyridinone-fused lactones: asymmetric synthesis of SN-38 and irinotecan.","Chemical communications (Cambridge, England)","2024","60","73","9954","9957","10.1039/d4cc03580a","","x-ray","1.54184","CuKα","","0.0323","0.0316","","","0.0822","0.0832","","","","","","1.067","","","","has coordinates","295099","2024-10-06","05:06:15",""
"7133483","26.7116","0.0011","10.1135","0.0004","16.0912","0.0006","90","","122.776","0.001","90","","3654.9","0.3","170","","170","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C41 H34 Cl2 I N2 O2 -","- C41 H34 Cl2 I N2 O2 -","- C164 H136 Cl8 I4 N8 O8 -","4","1","","Rui, Kanghua; Huang, Shaoying; Wu, Yinong; Shen, Hanxiao; Lin, Xufeng","Organocatalytic enantioselective (4+3) cyclization for the synthesis of spiro-fused heterocyclic compounds containing isoindolinone, oxepine and indole moieties.","Chemical communications (Cambridge, England)","2024","60","70","9400","9403","10.1039/d4cc03230f","","","0.71073","MoKα","","0.0438","0.0366","","","0.0812","0.0852","","","","","","1.096","","","","has coordinates","294404","2024-09-05","23:06:45",""
"7133484","7.1898","0.0002","10.261","0.0003","10.7376","0.0003","82.873","0.002","81.112","0.002","73.186","0.002","746.55","0.04","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H16 F3 N O3 S -","- C13 H16 F3 N O3 S -","- C26 H32 F6 N2 O6 S2 -","2","1","","Yamada, Shinji; Honda, Yuka","Solid-state [2+2] photodimerization of eniminium salts: stereoselective syntheses of 1,3-diacetylcyclobutanes.","Chemical communications (Cambridge, England)","2024","60","72","9821","9824","10.1039/d4cc03691c","","","1.54187","CuKα","","0.058","0.0463","","","0.134","0.1566","","","","","","1.12","","","","has coordinates","295158","2024-10-06","06:26:25",""
"7133485","10.0997","0.0003","8.3125","0.0002","17.8495","0.0006","90","","96.121","0.0019","90","","1489.99","0.08","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 B F4 N -","- C15 H20 B F4 N -","- C60 H80 B4 F16 N4 -","4","1","","Yamada, Shinji; Honda, Yuka","Solid-state [2+2] photodimerization of eniminium salts: stereoselective syntheses of 1,3-diacetylcyclobutanes.","Chemical communications (Cambridge, England)","2024","60","72","9821","9824","10.1039/d4cc03691c","","","1.54187","CuKα","","0.0969","0.0771","","","0.2185","0.2424","","","","","","1.103","","","","has coordinates","295158","2024-10-06","06:26:26",""
"7133486","8.57365","0.00016","16.306","0.0003","9.96321","0.00018","90","","90.6392","0.001","90","","1392.79","0.04","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 B F4 N -","- C14 H18 B F4 N -","- C56 H72 B4 F16 N4 -","4","1","","Yamada, Shinji; Honda, Yuka","Solid-state [2+2] photodimerization of eniminium salts: stereoselective syntheses of 1,3-diacetylcyclobutanes.","Chemical communications (Cambridge, England)","2024","60","72","9821","9824","10.1039/d4cc03691c","","","1.54187","CuKα","","0.0769","0.0512","","","0.1223","0.1417","","","","","","1.123","","","","has coordinates","295158","2024-10-06","06:26:26",""
"7133487","8.51495","0.00019","16.4158","0.0004","10.0399","0.0003","90","","90.742","0.0015","90","","1403.26","0.06","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 B F5 N -","- C14 H17 B F5 N -","- C56 H68 B4 F20 N4 -","4","1","","Yamada, Shinji; Honda, Yuka","Solid-state [2+2] photodimerization of eniminium salts: stereoselective syntheses of 1,3-diacetylcyclobutanes.","Chemical communications (Cambridge, England)","2024","60","72","9821","9824","10.1039/d4cc03691c","","","1.54187","CuKα","","0.0642","0.0435","","","0.0924","0.1119","","","","","","1.142","","","","has coordinates","295158","2024-10-06","06:26:26",""
"7133488","7.63744","0.00014","19.68","0.0004","10.11448","0.00018","90","","100.728","0.001","90","","1493.68","0.05","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 B F4 N O -","- C15 H20 B F4 N O -","- C60 H80 B4 F16 N4 O4 -","4","1","","Yamada, Shinji; Honda, Yuka","Solid-state [2+2] photodimerization of eniminium salts: stereoselective syntheses of 1,3-diacetylcyclobutanes.","Chemical communications (Cambridge, England)","2024","60","72","9821","9824","10.1039/d4cc03691c","","","1.54187","CuKα","","0.0445","0.0386","","","0.1012","0.1043","","","","","","1.078","","","","has coordinates","295158","2024-10-06","06:26:26",""
"7133489","7.5602","0.0003","15.2074","0.0005","12.6685","0.0005","90","","95.164","0.002","90","","1450.6","0.09","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 B F4 N -","- C15 H20 B F4 N -","- C60 H80 B4 F16 N4 -","4","1","","Yamada, Shinji; Honda, Yuka","Solid-state [2+2] photodimerization of eniminium salts: stereoselective syntheses of 1,3-diacetylcyclobutanes.","Chemical communications (Cambridge, England)","2024","60","72","9821","9824","10.1039/d4cc03691c","","","1.54187","CuKα","","0.0998","0.0734","","","0.225","0.2621","","","","","","1.198","","","","has coordinates","295158","2024-10-06","06:26:26",""
"7133490","10.11","0.0002","8.7342","0.0002","16.7607","0.0004","90","","90.82","0.0015","90","","1479.86","0.06","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 B F4 N -","- C15 H20 B F4 N -","- C60 H80 B4 F16 N4 -","4","1","","Yamada, Shinji; Honda, Yuka","Solid-state [2+2] photodimerization of eniminium salts: stereoselective syntheses of 1,3-diacetylcyclobutanes.","Chemical communications (Cambridge, England)","2024","60","72","9821","9824","10.1039/d4cc03691c","","","1.54187","CuKα","","0.0833","0.0685","","","0.179","0.1933","","","","","","1.156","","","","has coordinates","295158","2024-10-06","06:26:26",""
"7133491","7.6902","0.0003","9.9674","0.0003","12.0352","0.0004","94.287","0.002","96.2441","0.0019","96.7987","0.0019","907","0.05","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H24 B F4 N O3 -","- C17 H24 B F4 N O3 -","- C34 H48 B2 F8 N2 O6 -","2","1","","Yamada, Shinji; Honda, Yuka","Solid-state [2+2] photodimerization of eniminium salts: stereoselective syntheses of 1,3-diacetylcyclobutanes.","Chemical communications (Cambridge, England)","2024","60","72","9821","9824","10.1039/d4cc03691c","","","1.54187","CuKα","","0.0925","0.0593","","","0.1376","0.1591","","","","","","1.094","","","","has coordinates","295158","2024-10-06","06:26:26",""
"7133492","7.1302","0.0003","14.6918","0.0005","13.1044","0.0004","90","","101.392","0.002","90","","1345.71","0.08","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H36 B2 F8 N2 -","- C28 H36 B2 F8 N2 -","- C56 H72 B4 F16 N4 -","2","1","","Yamada, Shinji; Honda, Yuka","Solid-state [2+2] photodimerization of eniminium salts: stereoselective syntheses of 1,3-diacetylcyclobutanes.","Chemical communications (Cambridge, England)","2024","60","72","9821","9824","10.1039/d4cc03691c","","","1.54187","CuKα","","0.0579","0.0448","","","0.1241","0.1348","","","","","","1.117","","","","has coordinates","295158","2024-10-06","06:26:26",""
"7133493","9.0741","0.0004","13.3976","0.0005","9.2157","0.0003","90","","115.37","0.003","90","","1012.32","0.07","123","","123","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H26 O2 -","- C26 H26 O2 -","- C52 H52 O4 -","2","1","","Yamada, Shinji; Honda, Yuka","Solid-state [2+2] photodimerization of eniminium salts: stereoselective syntheses of 1,3-diacetylcyclobutanes.","Chemical communications (Cambridge, England)","2024","60","72","9821","9824","10.1039/d4cc03691c","","","1.54187","CuKα","","0.0571","0.0428","","","0.0908","0.0986","","","","","","1.106","","","","has coordinates","295158","2024-10-06","06:26:26",""
"7133494","9.36553","0.00017","10.40596","0.00019","12.2778","0.0002","90","","99.9106","0.0011","90","","1178.71","0.04","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H36 F2 N2 -","- C28 H36 F2 N2 -","- C56 H72 F4 N4 -","2","1","","Yamada, Shinji; Honda, Yuka","Solid-state [2+2] photodimerization of eniminium salts: stereoselective syntheses of 1,3-diacetylcyclobutanes.","Chemical communications (Cambridge, England)","2024","60","72","9821","9824","10.1039/d4cc03691c","","","1.54187","CuKα","","0.0437","0.0355","","","0.0926","0.1017","","","","","","1.121","","","","has coordinates","295158","2024-10-06","06:26:26",""
"7133495","15.5432","","10.8346","","20.429","","90","","98.712","","90","","3400.64","","123","","123","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C20 H22 F2 O2 -","- C20 H22 F2 O2 -","- C160 H176 F16 O16 -","8","2","","Yamada, Shinji; Honda, Yuka","Solid-state [2+2] photodimerization of eniminium salts: stereoselective syntheses of 1,3-diacetylcyclobutanes.","Chemical communications (Cambridge, England)","2024","60","72","9821","9824","10.1039/d4cc03691c","","","1.54187","CuKα","","0.1892","0.0991","","","0.3753","0.4346","","","","","","1.068","","","","has coordinates","295158","2024-10-06","06:26:26",""
"7133496","9.64367","0.00019","16.3794","0.0004","11.2234","0.0003","90","","115.752","0.0013","90","","1596.75","0.07","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 O2 -","- C20 H20 O2 -","- C80 H80 O8 -","4","1","","Yamada, Shinji; Honda, Yuka","Solid-state [2+2] photodimerization of eniminium salts: stereoselective syntheses of 1,3-diacetylcyclobutanes.","Chemical communications (Cambridge, England)","2024","60","72","9821","9824","10.1039/d4cc03691c","","","1.54187","CuKα","","0.0506","0.0401","","","0.107","0.1362","","","","","","1.166","","","","has coordinates","295158","2024-10-06","06:26:26",""
"7133497","34.3966","0.0002","34.3966","0.0002","34.3966","0.0002","90","","90","","90","","40695.5","0.4","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","IRMOF-10","IRMOF-10","","- C42 H24 O13 Zn4 -","- C42 H24 O13 Zn4 -","- C336 H192 O104 Zn32 -","8","0.0416667","","Carey, Cassidy A.; Foroughi, Leila M.; Matzger, Adam J.","Designed additive suppresses interpenetration in IRMOF-10.","Chemical communications (Cambridge, England)","2024","60","70","9396","9399","10.1039/d4cc03138e","","x-ray","1.54184","CuKα","","0.0265","0.0247","","","0.072","0.0734","","","","","","1.014","","","","has coordinates,has disorder","294407","2024-09-05","23:07:22",""
"7133498","17.3452","0.0008","10.073","0.0004","19.9427","0.0007","90","","90.496","0.004","90","","3484.2","0.2","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C68 H3 F3 O -","- C68 H3 F3 O -","- C272 H12 F12 O4 -","4","1","","Zhai, Yong-Chang; Yamanaka, Koki; Yu, Chu-Yang; Wang, Jun-Zhuo; Zheng, Xue-Lin; Huda, Miftakhul; Imai, Naoyuki; Igarashi, Takeshi; Aoyagi, Shinobu; Matsuo, Yutaka","Hydrophobic evaporable fullerene indanone ketone with low sublimation temperature and amorphous morphology for inverted perovskite solar cells.","Chemical communications (Cambridge, England)","2024","60","70","9420","9423","10.1039/d4cc02996h","","","0.7","synchrotron","","0.1789","0.1141","","","0.2959","0.3127","","","","","","0.856","","","","has coordinates","294411","2024-09-05","23:08:24",""
"7133499","21.5474","0.001","11.3765","0.0004","22.1803","0.001","90","","113.87","0.005","90","","4972.1","0.4","296.5","0.6","296.5","0.6","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 N2 O -","- C32 N2 O -","- C256 N16 O8 -","8","2","","Nian, Cuicui; Yu, Run; Han, Zhengyu; Bai, Yang; Wang, Jianhao; Sun, Jianwei; Huang, Hai","Trifluoroethanol promoted formal nucleophilic substitution of indol-2-yl diaryl methanol for the synthesis of tetraarylmethanes.","Chemical communications (Cambridge, England)","2024","60","72","9797","9800","10.1039/d4cc03420a","","x-ray","0.71073","MoKα","","0.2195","0.1169","","","0.3338","0.3914","","","","","","1.129","","","","has coordinates","295154","2024-10-06","06:24:19",""
"7133500","10.1795","0.0004","10.3793","0.0002","38.58","0.0009","90","","91.604","0.002","90","","4074.6","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H53 N2 P Sn -","- C45 H53 N2 P Sn -","- C180 H212 N8 P4 Sn4 -","4","1","","Wei, Rui; Wang, Xin-Feng; Hu, Chaopeng; Liu, Liu Leo","(Phosphino)(stannyl)carbene.","Chemical communications (Cambridge, England)","2024","60","72","9793","9796","10.1039/d4cc03275f","","","1.54178","CuKα","","0.0983","0.0799","","","0.1486","0.1556","","","","","","1.166","","","","has coordinates","295156","2024-10-06","06:24:49",""
"7133501","9.9707","0.0005","10.4091","0.0005","20.4298","0.0011","89.295","0.003","76.839","0.003","77.221","0.003","2011.88","0.18","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H53 N4 P Sn -","- C45 H53 N4 P Sn -","- C90 H106 N8 P2 Sn2 -","2","1","","Wei, Rui; Wang, Xin-Feng; Hu, Chaopeng; Liu, Liu Leo","(Phosphino)(stannyl)carbene.","Chemical communications (Cambridge, England)","2024","60","72","9793","9796","10.1039/d4cc03275f","","","1.54178","CuKα","","0.0328","0.0303","","","0.0695","0.0707","","","","","","1.023","","","","has coordinates","295156","2024-10-06","06:24:49",""
"7133502","18.0214","0.0005","12.3053","0.0004","20.7838","0.0006","90","","93.773","0.001","90","","4599","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H62 N3 P Si Sn -","- C49 H62 N3 P Si Sn -","- C196 H248 N12 P4 Si4 Sn4 -","4","1","","Wei, Rui; Wang, Xin-Feng; Hu, Chaopeng; Liu, Liu Leo","(Phosphino)(stannyl)carbene.","Chemical communications (Cambridge, England)","2024","60","72","9793","9796","10.1039/d4cc03275f","","","1.54178","CuKα","","0.0237","0.022","","","0.051","0.0518","","","","","","1.042","","","","has coordinates","295156","2024-10-06","06:24:49",""
"7133503","9.9668","0.0004","10.3764","0.0004","20.4573","0.0008","89.474","0.002","76.827","0.002","77.353","0.002","2008.18","0.14","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H53 N2 O P Sn -","- C46 H53 N2 O P Sn -","- C92 H106 N4 O2 P2 Sn2 -","2","1","","Wei, Rui; Wang, Xin-Feng; Hu, Chaopeng; Liu, Liu Leo","(Phosphino)(stannyl)carbene.","Chemical communications (Cambridge, England)","2024","60","72","9793","9796","10.1039/d4cc03275f","","","1.54178","CuKα","","0.0193","0.0188","","","0.0446","0.0448","","","","","","0.975","","","","has coordinates","295156","2024-10-06","06:24:49",""
"7133504","20.5741","0.0004","18.2905","0.0004","12.3909","0.0003","90","","90.541","0.001","90","","4662.62","0.18","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H62 N3 P Sn -","- C54 H62 N3 P Sn -","- C216 H248 N12 P4 Sn4 -","4","1","","Wei, Rui; Wang, Xin-Feng; Hu, Chaopeng; Liu, Liu Leo","(Phosphino)(stannyl)carbene.","Chemical communications (Cambridge, England)","2024","60","72","9793","9796","10.1039/d4cc03275f","","","1.54178","CuKα","","0.0273","0.0226","","","0.0493","0.0509","","","","","","1.036","","","","has coordinates","295156","2024-10-06","06:24:49",""
"7133505","12.0852","0.0009","17.3585","0.0014","22.5821","0.0018","70.146","0.003","79.514","0.003","85.984","0.003","4381.1","0.6","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C90 H93 Cl4 Co2 F12 N20 O0.5 P2 -","- C89 H90 Cl2 Co2 F12 N20 P2 -","- C178 H180 Cl4 Co4 F24 N40 P4 -","2","1","","Bhandari, Anirban; Park, Gyeong Min; Lee, Heui Beom; Hong, Sugyeong; Kim, Sun Hee; Byon, Hye Ryung; Lee, Yunho","A stable radical within a N-Co-N core.","Chemical communications (Cambridge, England)","2024","60","73","9970","9973","10.1039/d4cc02146k","","","0.71073","MoKα","","0.1341","0.08","","","0.1947","0.2447","","","","","","1.139","","","","has coordinates,has disorder","295100","2024-10-06","05:07:38",""
"7133506","11.0762","0.0009","11.838","0.001","18.9588","0.0016","93.125","0.004","95.401","0.004","90.195","0.004","2471.1","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H44 Co I6 N10 -","- C44 H44 Co I6 N10 -","- C88 H88 Co2 I12 N20 -","2","1","","Bhandari, Anirban; Park, Gyeong Min; Lee, Heui Beom; Hong, Sugyeong; Kim, Sun Hee; Byon, Hye Ryung; Lee, Yunho","A stable radical within a N-Co-N core.","Chemical communications (Cambridge, England)","2024","60","73","9970","9973","10.1039/d4cc02146k","","","0.71073","MoKα","","0.0792","0.0488","","","0.1057","0.1286","","","","","","1.125","","","","has coordinates","295100","2024-10-06","05:07:43",""
"7133507","41.229","0.002","41.229","0.002","20.2204","0.0015","90","","90","","120","","29766","3","100","","100","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C46 H47 Co F12 N11 P2 -","- C46 H47 Co F12 N11 P2 -","- C828 H846 Co18 F216 N198 P36 -","18","1","","Bhandari, Anirban; Park, Gyeong Min; Lee, Heui Beom; Hong, Sugyeong; Kim, Sun Hee; Byon, Hye Ryung; Lee, Yunho","A stable radical within a N-Co-N core.","Chemical communications (Cambridge, England)","2024","60","73","9970","9973","10.1039/d4cc02146k","","","0.71073","MoKα","","0.065","0.0463","","","0.1137","0.1282","","","","","","1.013","","","","has coordinates","295100","2024-10-06","05:07:43",""
"7133508","7.5899","0.0006","9.2556","0.0008","11.8931","0.0009","100.578","0.002","104.99","0.003","107.349","0.002","738.9","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 Ce Cl8 N4 -","- C20 H24 Ce Cl8 N4 -","- C20 H24 Ce Cl8 N4 -","1","0.5","","Blanes-Díaz, Anamar; Wacker, Jennifer N.; Szymanowski, Jennifer E. S.; Bertke, Jeffery A.; Knope, Karah E.","Isolation of a chloride-capped cerium polyoxo nanocluster built from 52 metal ions.","Chemical communications (Cambridge, England)","2024","60","84","12185","12188","10.1039/d4cc03144j","","","0.71073","MoKα","","0.0343","0.0267","","","0.056","0.06","","","","","","1.166","","","","has coordinates,has disorder","296319","2024-12-06","15:29:19",""
"7133509","12.993","0.0006","8.6538","0.0004","7.9621","0.0003","90","","97.827","0.001","90","","886.91","0.07","300","2","300","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C10 H12 Ce Cl6 N2 -","- C10 H12 Ce Cl6 N2 -","- C20 H24 Ce2 Cl12 N4 -","2","0.25","","Blanes-Díaz, Anamar; Wacker, Jennifer N.; Szymanowski, Jennifer E. S.; Bertke, Jeffery A.; Knope, Karah E.","Isolation of a chloride-capped cerium polyoxo nanocluster built from 52 metal ions.","Chemical communications (Cambridge, England)","2024","60","84","12185","12188","10.1039/d4cc03144j","","","0.71073","MoKα","","0.0217","0.0217","","","0.0607","0.0607","","","","","","1.073","","","","has coordinates,has disorder","296319","2024-12-06","15:29:29",""
"7133510","18.8106","0.0007","18.7789","0.0007","28.4413","0.0011","90","","97.602","0.001","90","","9958.4","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Ce38 Cl50 N4 O92 -","- C20 H24 Ce38 Cl50 N4 O92 -","- C40 H48 Ce76 Cl100 N8 O184 -","2","0.5","","Blanes-Díaz, Anamar; Wacker, Jennifer N.; Szymanowski, Jennifer E. S.; Bertke, Jeffery A.; Knope, Karah E.","Isolation of a chloride-capped cerium polyoxo nanocluster built from 52 metal ions.","Chemical communications (Cambridge, England)","2024","60","84","12185","12188","10.1039/d4cc03144j","","","0.71073","MoKα","","0.1104","0.0544","","","0.1009","0.1188","","","","","","1.012","","","","has coordinates,has disorder","296319","2024-12-06","15:29:29",""
"7133511","22.2147","0.001","29.7354","0.0014","24.3598","0.0012","90","","102.365","0.0014","90","","15717.9","1.3","100","2","100","2","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C0 H0 Ce104 Cl118 N0 O194 -","- Ce104 Cl118 O194 -","- Ce104 Cl118 O194 -","1","0.25","","Blanes-Díaz, Anamar; Wacker, Jennifer N.; Szymanowski, Jennifer E. S.; Bertke, Jeffery A.; Knope, Karah E.","Isolation of a chloride-capped cerium polyoxo nanocluster built from 52 metal ions.","Chemical communications (Cambridge, England)","2024","60","84","12185","12188","10.1039/d4cc03144j","","","0.71073","MoKα","","0.1689","0.0716","","","0.1689","0.2061","","","","","","1.036","","","","has coordinates,has disorder","296319","2024-12-06","15:29:29",""
"7133512","9.5714","0.0009","13.252","0.0012","17.5019","0.0015","97.149","0.003","97.276","0.003","102.064","0.003","2127.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H64 Ge N2 O5 Si4 -","- C34 H64 Ge N2 O5 Si4 -","- C68 H128 Ge2 N4 O10 Si8 -","2","1","","Ajithkumar, V. S.; Ghanwat, Pratiksha B.; Saha, Sougata; Pati, Swapan K.; Sen, Sakya S.","Stereodivergent sila-germylenation <i>vs.</i> sila-stannylenation of an internal alkyne.","Chemical communications (Cambridge, England)","2024","60","72","9837","9840","10.1039/d4cc02101k","","","0.71073","MoKα","","0.0357","0.0317","","","0.0833","0.0861","","","","","","1.041","","","","has coordinates","295161","2024-10-06","06:27:43",""
"7133513","10.2751","0.001","15.191","0.0014","25.182","0.003","90","","99.29","0.003","90","","3879.1","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H56 N2 O4 Si4 Sn -","- C30 H56 N2 O4 Si4 Sn -","- C120 H224 N8 O16 Si16 Sn4 -","4","1","","Ajithkumar, V. S.; Ghanwat, Pratiksha B.; Saha, Sougata; Pati, Swapan K.; Sen, Sakya S.","Stereodivergent sila-germylenation <i>vs.</i> sila-stannylenation of an internal alkyne.","Chemical communications (Cambridge, England)","2024","60","72","9837","9840","10.1039/d4cc02101k","","","0.71073","MoKα","","0.0354","0.0311","","","0.0706","0.0724","","","","","","1.151","","","","has coordinates","295161","2024-10-06","06:27:44",""
"7133514","7.7756","0.0002","14.1848","0.0004","16.3912","0.0005","97.316","0.001","100.192","0.001","100.448","0.001","1725.94","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H104 Na2 O6 Si2 -","- C80 H104 Na2 O6 Si2 -","- C80 H104 Na2 O6 Si2 -","1","0.5","","Pennachio, Matthew; Wei, Zheng; Mamada, Masashi; Frigoli, Michel; Petrukhina, Marina A.","Chemical reduction of π-expanded functionalized pentacene: cooperation of side group in alkali metal binding.","Chemical communications (Cambridge, England)","2024","60","71","9526","9529","10.1039/d4cc03318c","","x-ray","0.41328","synchrotron","","0.0567","0.0433","","","0.1318","0.1399","","","","","","1.094","","","","has coordinates,has disorder","294425","2024-09-05","23:14:06",""
"7133515","19.966","0.006","9.159","0.002","11.301","0.004","90","","108.602","0.009","90","","1958.6","1","173","2","173.15","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C28 H24 Cu F12 N6 O8 S4 -","- C28 H24 Cu F12 N6 O8 S4 -","- C56 H48 Cu2 F24 N12 O16 S8 -","2","0.5","","Ohara, Yuki; Nishiguchi, Taichi; Zheng, Xin; Noro, Shin-Ichiro; Packwood, Daniel M.; Horike, Satoshi","Entropically driven melting of Cu-based 1D coordination polymers.","Chemical communications (Cambridge, England)","2024","60","72","9833","9836","10.1039/d4cc02925a","","","1.54187","","","0.033","0.0278","","","0.0592","0.0602","","","","","","0.945","","","","has coordinates","295153","2024-10-06","06:24:10",""
"7133516","10.461","0.01","10.611","0.01","16.467","0.016","83.31","0.03","87.04","0.03","67.44","0.02","1676","3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H54 N3 P Si -","- C33 H54 N3 P Si -","- C66 H108 N6 P2 Si2 -","2","1","","Kaulage, Sandeep H.; Parvin, Nasrina; Khopade, Kishor V.; Khan, Shabana","A hybrid silylene-Pd catalyst: efficient C-N cross-coupling of sterically bulky amines and chiral amines.","Chemical communications (Cambridge, England)","2024","60","73","9958","9961","10.1039/d4cc03108c","","","0.71073","MoKα","","0.0694","0.0447","","","0.0914","0.0998","","","","","","1.032","","","","has coordinates","295104","2024-10-06","05:13:54",""
"7133517","12.506","0.004","23.229","0.008","13.297","0.004","90","","114.039","0.011","90","","3528","2","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C46 H47 N -","- C46 H47 N -","- C184 H188 N4 -","4","1","","Kaulage, Sandeep H.; Parvin, Nasrina; Khopade, Kishor V.; Khan, Shabana","A hybrid silylene-Pd catalyst: efficient C-N cross-coupling of sterically bulky amines and chiral amines.","Chemical communications (Cambridge, England)","2024","60","73","9958","9961","10.1039/d4cc03108c","","","0.71073","MoKα","","0.1468","0.0644","","","0.1364","0.172","","","","","","1.007","","","","has coordinates","295104","2024-10-06","05:13:56",""
"7133518","23.428","0.003","5.9565","0.0008","23.648","0.003","90","","101.376","0.006","90","","3235.2","0.7","150","2","150.15","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H25 N -","- C19 H25 N -","- C152 H200 N8 -","8","2","","Kaulage, Sandeep H.; Parvin, Nasrina; Khopade, Kishor V.; Khan, Shabana","A hybrid silylene-Pd catalyst: efficient C-N cross-coupling of sterically bulky amines and chiral amines.","Chemical communications (Cambridge, England)","2024","60","73","9958","9961","10.1039/d4cc03108c","","","1.54178","CuKα","","0.0499","0.0395","","","0.083","0.0891","","","","","","1.039","","","","has coordinates","295104","2024-10-06","05:13:56",""
"7133519","11.502","0.002","12.782","0.003","12.058","0.002","90","0.03","94.41","0.03","90","0.03","1767.5","0.6","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H54 Cl2 N3 P Pd Si -","- C33 H54 Cl2 N3 P Pd Si -","- C66 H108 Cl4 N6 P2 Pd2 Si2 -","2","1","","Kaulage, Sandeep H.; Parvin, Nasrina; Khopade, Kishor V.; Khan, Shabana","A hybrid silylene-Pd catalyst: efficient C-N cross-coupling of sterically bulky amines and chiral amines.","Chemical communications (Cambridge, England)","2024","60","73","9958","9961","10.1039/d4cc03108c","","","0.71073","MoKα","","0.0422","0.0351","","","0.0768","0.0795","","","","","","1.048","","","","has coordinates","295104","2024-10-06","05:13:56",""
"7133520","10.939","0.002","26.563","0.006","11.124","0.002","90","","112.526","0.006","90","","2985.7","1","150","2","150.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C41 H37 N -","- C41 H37 N -","- C164 H148 N4 -","4","1","","Kaulage, Sandeep H.; Parvin, Nasrina; Khopade, Kishor V.; Khan, Shabana","A hybrid silylene-Pd catalyst: efficient C-N cross-coupling of sterically bulky amines and chiral amines.","Chemical communications (Cambridge, England)","2024","60","73","9958","9961","10.1039/d4cc03108c","","","0.71073","MoKα","","0.1117","0.0548","","","0.1123","0.1368","","","","","","1.024","","","","has coordinates","295104","2024-10-06","05:13:56",""
"7133521","8.6857","0.0015","12.012","0.002","37.16","0.006","90","","90","","90","","3877","1.1","150","2","150.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H21 N -","- C28 H21 N -","- C224 H168 N8 -","8","2","","Kaulage, Sandeep H.; Parvin, Nasrina; Khopade, Kishor V.; Khan, Shabana","A hybrid silylene-Pd catalyst: efficient C-N cross-coupling of sterically bulky amines and chiral amines.","Chemical communications (Cambridge, England)","2024","60","73","9958","9961","10.1039/d4cc03108c","","","1.54178","CuKα","","0.0955","0.0737","","","0.1242","0.1351","","","","","","1.151","","","","has coordinates","295104","2024-10-06","05:13:56",""
"7133522","11.721","0.002","14.864","0.003","21.818","0.005","90","","98.244","0.006","90","","3761.9","1.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H50 Cl2 N3 P Pd Si -","- C39 H50 Cl2 N3 P Pd Si -","- C156 H200 Cl8 N12 P4 Pd4 Si4 -","4","1","","Kaulage, Sandeep H.; Parvin, Nasrina; Khopade, Kishor V.; Khan, Shabana","A hybrid silylene-Pd catalyst: efficient C-N cross-coupling of sterically bulky amines and chiral amines.","Chemical communications (Cambridge, England)","2024","60","73","9958","9961","10.1039/d4cc03108c","","","0.71073","MoKα","","0.0566","0.0365","","","0.0744","0.082","","","","","","1.044","","","","has coordinates","295104","2024-10-06","05:13:56",""
"7133523","25.422","0.004","11.0674","0.0013","33.751","0.004","90","","109.835","0.006","90","","8933","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H48 Cl4 N3 P Pd Si2 -","- C37 H48 Cl4 N3 P Pd Si2 -","- C296 H384 Cl32 N24 P8 Pd8 Si16 -","8","1","","Kaulage, Sandeep H.; Parvin, Nasrina; Khopade, Kishor V.; Khan, Shabana","A hybrid silylene-Pd catalyst: efficient C-N cross-coupling of sterically bulky amines and chiral amines.","Chemical communications (Cambridge, England)","2024","60","73","9958","9961","10.1039/d4cc03108c","","","0.71073","MoKα","","0.1432","0.0738","","","0.1011","0.1192","","","","","","1.048","","","","has coordinates","295104","2024-10-06","05:13:56",""
"7133524","24.4179","0.0006","8.94957","0.00018","10.6055","0.0003","90","","97.759","0.002","90","","2296.4","0.1","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 Cl3 N3 Se3 -","- C21 H12 Cl3 N3 Se3 -","- C84 H48 Cl12 N12 Se12 -","4","1","","Chaurasia, Avinash; Kumar, Abhishek","Removal of mercury and lead ions from water using bioinspired N<sub>3</sub>Se<sub>3</sub> type small sized moieties.","Chemical communications (Cambridge, England)","2024","60","72","9841","9844","10.1039/d4cc03587a","","x-ray","0.71073","MoKα","","0.0835","0.0551","","","0.0949","0.1023","","","","","","1.123","","","","has coordinates","295159","2024-10-06","06:26:38",""
"7133525","5.6987","0.0002","7.5431","0.0003","35.7122","0.0011","90","","90","","90","","1535.12","0.09","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O3 -","- C19 H20 O3 -","- C76 H80 O12 -","4","1","","Aynetdinova, Daniya; Jaschinski, Megan; Jenkins, Timothy C.; Donohoe, Timothy J.","HFIP promoted carbo-lactonisation as a new route to functionalised lactones.","Chemical communications (Cambridge, England)","2024","60","73","9997","10000","10.1039/d4cc02472a","","","1.54184","CuKα","","0.0473","0.0438","","0.1151","0.1129","0.1151","","","","","","1.0244","","","","has coordinates","295102","2024-10-06","05:10:56",""
"7133526","5.7618","0.0001","7.2943","0.0002","27.0456","0.0007","90","","93.91","0.002","90","","1134.03","0.05","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 O4 -","- C13 H14 O4 -","- C52 H56 O16 -","4","1","","Aynetdinova, Daniya; Jaschinski, Megan; Jenkins, Timothy C.; Donohoe, Timothy J.","HFIP promoted carbo-lactonisation as a new route to functionalised lactones.","Chemical communications (Cambridge, England)","2024","60","73","9997","10000","10.1039/d4cc02472a","","","1.54184","CuKα","","0.0356","0.0328","","0.086","0.083","0.086","","","","","","0.9708","","","","has coordinates","295102","2024-10-06","05:11:03",""
"7133527","5.9846","0.0003","8.734","0.0004","23.1074","0.001","94.785","0.004","93.664","0.004","93.898","0.004","1197.87","0.1","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H28 O2 -","- C32 H28 O2 -","- C64 H56 O4 -","2","1","","Aynetdinova, Daniya; Jaschinski, Megan; Jenkins, Timothy C.; Donohoe, Timothy J.","HFIP promoted carbo-lactonisation as a new route to functionalised lactones.","Chemical communications (Cambridge, England)","2024","60","73","9997","10000","10.1039/d4cc02472a","","","1.5418","CuKα","","0.0657","0.049","","0.1314","0.1215","0.1314","","","","","","1.0254","","","","has coordinates","295102","2024-10-06","05:11:03",""
"7133528","12.0864","0.0002","6.0321","0.0001","13.7269","0.0002","90","","92.8739","0.0017","90","","999.52","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H21 F3 O2 -","- C25 H21 F3 O2 -","- C50 H42 F6 O4 -","2","1","","Aynetdinova, Daniya; Jaschinski, Megan; Jenkins, Timothy C.; Donohoe, Timothy J.","HFIP promoted carbo-lactonisation as a new route to functionalised lactones.","Chemical communications (Cambridge, England)","2024","60","73","9997","10000","10.1039/d4cc02472a","","","1.54184","CuKα","","0.0361","0.0356","","0.0944","0.0937","0.0944","","","","","","0.9745","","","","has coordinates","295102","2024-10-06","05:11:03",""
"7133529","6.1184","0.0001","33.9883","0.0005","8.7255","0.0001","90","","90.5312","0.0015","90","","1814.42","0.04","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 O2 -","- C23 H24 O2 -","- C92 H96 O8 -","4","1","","Aynetdinova, Daniya; Jaschinski, Megan; Jenkins, Timothy C.; Donohoe, Timothy J.","HFIP promoted carbo-lactonisation as a new route to functionalised lactones.","Chemical communications (Cambridge, England)","2024","60","73","9997","10000","10.1039/d4cc02472a","","","1.54184","CuKα","","0.0615","0.0587","","0.182","0.1808","0.182","","","","","","1.0632","","","","has coordinates","295102","2024-10-06","05:11:03",""
"7133530","9.3701","0.0002","40.8864","0.0008","14.5271","0.0003","90","","94.782","0.0019","90","","5546.1","0.2","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 O2 -","- C24 H22 O2 -","- C288 H264 O24 -","12","3","","Aynetdinova, Daniya; Jaschinski, Megan; Jenkins, Timothy C.; Donohoe, Timothy J.","HFIP promoted carbo-lactonisation as a new route to functionalised lactones.","Chemical communications (Cambridge, England)","2024","60","73","9997","10000","10.1039/d4cc02472a","","","1.54184","CuKα","","0.0623","0.0476","","0.1275","0.1154","0.1275","","","","","","0.9945","","","","has coordinates","295102","2024-10-06","05:11:03",""
"7133531","10.17742","0.00009","14.91873","0.00016","17.25327","0.00019","67.1553","0.001","86.4455","0.0008","80.1926","0.0008","2378.85","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H41 N5 O2 -","- C56 H41 N5 O2 -","- C112 H82 N10 O4 -","2","1","","Zhang, Yue; Yu, Jia; Li, Chunbin; Gong, Jianye; Wu, Yifan; Feng, Lina; Chen, Zihan; Sha, Renmanduhu; Jiang, Guoyu; Wang, Jianguo","Thiophene assisted cellular uptake enhancement for highly efficient NIR-II cancer phototheranostics.","Chemical communications (Cambridge, England)","2024","60","73","9942","9945","10.1039/d4cc03308f","","x-ray","1.54184","CuKα","","0.0464","0.0417","","","0.1149","0.1184","","","","","","1.081","","","","has coordinates","295097","2024-10-06","05:04:57",""
"7133532","11.5451","0.0004","13.6561","0.0005","16.0395","0.0006","103.103","0.001","101.611","0.001","109.468","0.001","2214.12","0.14","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H37 N5 O2 S2 -","- C52 H37 N5 O2 S2 -","- C104 H74 N10 O4 S4 -","2","1","","Zhang, Yue; Yu, Jia; Li, Chunbin; Gong, Jianye; Wu, Yifan; Feng, Lina; Chen, Zihan; Sha, Renmanduhu; Jiang, Guoyu; Wang, Jianguo","Thiophene assisted cellular uptake enhancement for highly efficient NIR-II cancer phototheranostics.","Chemical communications (Cambridge, England)","2024","60","73","9942","9945","10.1039/d4cc03308f","","x-ray","0.71073","MoKα","","0.0762","0.0487","","","0.1144","0.1285","","","","","","1.043","","","","has coordinates","295097","2024-10-06","05:05:08",""
"7133533","35.892","","35.892","","35.892","","90","","90","","90","","46237.4","","100.02","","100.02","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C531.17 H424.75 N6.79 O256 S48 Zr48 -","- C531.264 H424.896 N6.816 O256 S48 Zr48 -","- C531.264 H424.896 N6.816 O256 S48 Zr48 -","1","0.0208333","","Wu, Yulun; Gao, Lei; Zhou, Xiao-Cheng; Yu, Xiang; Meng, Ya-Ru; Zuo, Jing-Lin; Su, Jian; Yuan, Shuai","Designing photothermal catalytic systems in multi-component MOFs for enhanced conversion of carbon dioxide.","Chemical communications (Cambridge, England)","2024","60","72","9825","9828","10.1039/d4cc03203a","","","1.54184","CuKα","","0.1448","0.0868","","","0.2449","0.2853","","","","","","0.986","","","","has coordinates,has disorder","295160","2024-10-06","06:27:19",""
"7133534","36.1776","0.0008","36.1776","0.0008","36.1776","0.0008","90","","90","","90","","47349.9","1.8","99.98","","99.98","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C726.02 H459.06 N70.52 O256 S48 Zr48 -","- C726 H459.024 N70.512 O256 S48 Zr48 -","- C726 H459.024 N70.512 O256 S48 Zr48 -","1","0.0208333","","Wu, Yulun; Gao, Lei; Zhou, Xiao-Cheng; Yu, Xiang; Meng, Ya-Ru; Zuo, Jing-Lin; Su, Jian; Yuan, Shuai","Designing photothermal catalytic systems in multi-component MOFs for enhanced conversion of carbon dioxide.","Chemical communications (Cambridge, England)","2024","60","72","9825","9828","10.1039/d4cc03203a","","","1.54184","CuKα","","0.0755","0.0613","","","0.1954","0.2037","","","","","","1.079","","","","has coordinates,has disorder","295160","2024-10-06","06:27:20",""
"7133535","13.8988","0.0005","21.9666","0.0006","27.6464","0.0013","90","","90","","90","","8440.7","0.6","169.99","0.1","169.99","0.1","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C44 H37 Br4 Cd F N4 O6 -","- C38 H23 Br4 Cd F N2 O4 -","- C304 H184 Br32 Cd8 F8 N16 O32 -","8","1","","Wu, Jia-Wei; Qin, Zhen; Dong, Qing-Shu; Young, David James; Hu, Fei-Long; Mi, Yan","Photomechanical responses of coordination polymers regulated by precise organization of the photoactive centers.","Chemical communications (Cambridge, England)","2024","60","73","9978","9981","10.1039/d4cc03471f","","","1.54184","CuKα","","0.0724","0.0601","","","0.1552","0.1664","","","","","","1.032","","","","has coordinates,has disorder","295105","2024-10-06","05:15:18",""
"7133536","31.7904","0.0007","13.9507","0.0003","17.6164","0.0004","90","","96.614","0.002","90","","7760.8","0.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H27 Br4 Cd F N2 O4 -","- C42 H27 Br4 Cd F N2 O4 -","- C336 H216 Br32 Cd8 F8 N16 O32 -","8","1","","Wu, Jia-Wei; Qin, Zhen; Dong, Qing-Shu; Young, David James; Hu, Fei-Long; Mi, Yan","Photomechanical responses of coordination polymers regulated by precise organization of the photoactive centers.","Chemical communications (Cambridge, England)","2024","60","73","9978","9981","10.1039/d4cc03471f","","","1.54178","CuKα","","0.132","0.1154","","","0.3066","0.3257","","","","","","1.167","","","","has coordinates,has disorder","295105","2024-10-06","05:15:21",""
"7133537","32.9042","0.0002","13.8395","0.0001","16.8145","0.0001","90","","94.843","0.001","90","","7629.61","0.09","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H27 Br4 Cd F N2 O4 -","- C42 H27 Br4 Cd F N2 O4 -","- C336 H216 Br32 Cd8 F8 N16 O32 -","8","1","","Wu, Jia-Wei; Qin, Zhen; Dong, Qing-Shu; Young, David James; Hu, Fei-Long; Mi, Yan","Photomechanical responses of coordination polymers regulated by precise organization of the photoactive centers.","Chemical communications (Cambridge, England)","2024","60","73","9978","9981","10.1039/d4cc03471f","","","1.54178","CuKα","","0.0531","0.0516","","","0.1412","0.1428","","","","","","1.056","","","","has coordinates,has disorder","295105","2024-10-06","05:15:21",""
"7133538","14.0326","0.0003","22.0287","0.0005","27.564","0.0008","90","","90","","90","","8520.6","0.4","220","0.1","220","0.1","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C44 H34 Br4 Cd F N4 O6 -","- C38 H20 Br4 Cd F N2 O4 -","- C304 H160 Br32 Cd8 F8 N16 O32 -","8","1","","Wu, Jia-Wei; Qin, Zhen; Dong, Qing-Shu; Young, David James; Hu, Fei-Long; Mi, Yan","Photomechanical responses of coordination polymers regulated by precise organization of the photoactive centers.","Chemical communications (Cambridge, England)","2024","60","73","9978","9981","10.1039/d4cc03471f","","","1.54184","CuKα","","0.0869","0.0635","","","0.1692","0.1902","","","","","","1.025","","","","has coordinates,has disorder","295105","2024-10-06","05:15:21",""
"7133539","25.621","0.0008","14.0125","0.0004","27.1921","0.0007","90","","94.576","0.003","90","","9731.2","0.5","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H85 Co N5 Si3 U -","- C43 H85 Co N5 Si3 U -","- C344 H680 Co8 N40 Si24 U8 -","8","2","","Seed, John A.; Cleaves, Peter A.; Hatton, Georgina R.; King, David M.; Tuna, Floriana; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T.","Reactivity of a triamidoamine terminal uranium(VI)-nitride with 3d-transition metal metallocenes.","Chemical communications (Cambridge, England)","2024","60","73","9990","9993","10.1039/d4cc03846k","","x-ray","0.71073","MoKα","","0.0555","0.0348","","","0.065","0.0742","","","","","","1.018","","","","has coordinates,has disorder","295103","2024-10-06","05:11:59",""
"7133540","19.8279","0.0004","23.778","0.0003","20.6637","0.0003","90","","90.1352","0.0016","90","","9742.2","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H85 N5 Si3 U V -","- C43 H85 N5 Si3 U V -","- C344 H680 N40 Si24 U8 V8 -","8","2","","Seed, John A.; Cleaves, Peter A.; Hatton, Georgina R.; King, David M.; Tuna, Floriana; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T.","Reactivity of a triamidoamine terminal uranium(VI)-nitride with 3d-transition metal metallocenes.","Chemical communications (Cambridge, England)","2024","60","73","9990","9993","10.1039/d4cc03846k","","x-ray","1.54184","CuKα","","0.0639","0.0595","","","0.1498","0.1524","","","","","","1.107","","","","has coordinates","295103","2024-10-06","05:12:05",""
"7133541","21.7635","0.0011","13.5055","0.0007","22.7364","0.0012","90","","108.365","0.002","90","","6342.5","0.6","140","","140","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H73 F12 N13 Ni2 P2 -","- C62 H73 F12 N13 Ni2 P2 -","- C248 H292 F48 N52 Ni8 P8 -","4","1","","Bhardwaj, Ritu; Choudhury, Joyanta","A phosphine-free molecularly-defined Ni(II) complex in catalytic hydrogenation of CO<sub>2</sub>.","Chemical communications (Cambridge, England)","2024","60","74","10176","10179","10.1039/d4cc03054k","","","0.71073","MoKα","","0.1238","0.0563","","","0.1162","0.1439","","","","","","1.011","","","","has coordinates","295133","2024-10-06","05:58:10",""
"7133542","35.575","0.002","35.575","0.002","6.6823","0.0006","90","","90","","120","","7324","0.9","100","2","100","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","dDTCO","dDTCO","","- C20 H8 O2 S4 -","- C20 H8 O2 S4 -","- C360 H144 O36 S72 -","18","1","","Adachi, Yohei; Hattori, Yuto; Mikie, Tsubasa; Osaka, Itaru; Ohshita, Joji","Twisted diphenoquinones fused with thiophene rings: thiophene analogs of bianthrone.","Chemical communications (Cambridge, England)","2024","60","75","10410","10413","10.1039/d4cc02943g","","","0.71073","MoKa","","0.025","0.0235","","","0.0555","0.0566","","","","","","1.029","","","","has coordinates","295128","2024-10-06","05:50:49",""
"7133543","7.1234","0.0008","21.199","0.002","13.8456","0.0015","90","","100.644","0.001","90","","2054.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","dDTCO-Me","dDTCO-Me","","- C24 H16 O2 S4 -","- C24 H16 O2 S4 -","- C96 H64 O8 S16 -","4","1","","Adachi, Yohei; Hattori, Yuto; Mikie, Tsubasa; Osaka, Itaru; Ohshita, Joji","Twisted diphenoquinones fused with thiophene rings: thiophene analogs of bianthrone.","Chemical communications (Cambridge, England)","2024","60","75","10410","10413","10.1039/d4cc02943g","","","0.71073","MoKa","","0.0697","0.0547","","","0.1359","0.1433","","","","","","1.128","","","","has coordinates","295128","2024-10-06","05:51:08",""
"7133544","12.6446","0.0008","15.9134","0.0007","16.2007","0.0016","80.602","0.006","85.926","0.006","88.569","0.004","3207.7","0.4","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","dDTCO-Bu","dDTCO-Bu","","- C36 H40 O2 S4 -","- C36 H40 O2 S4 -","- C144 H160 O8 S16 -","4","2","","Adachi, Yohei; Hattori, Yuto; Mikie, Tsubasa; Osaka, Itaru; Ohshita, Joji","Twisted diphenoquinones fused with thiophene rings: thiophene analogs of bianthrone.","Chemical communications (Cambridge, England)","2024","60","75","10410","10413","10.1039/d4cc02943g","","x-ray","0.71073","MoKα","","0.1205","0.059","","","0.1222","0.1448","","","","","","0.973","","","","has coordinates","295128","2024-10-06","05:51:08",""
"7133545","16.6937","0.0002","4.8165","0.0001","19.6871","0.0003","90","","109.083","0.002","90","","1495.96","0.05","298","","298","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał","Metal-free negative linear compressibility (NLC) material - the cocrystal of 1,2-bis(4-pyridyl)ethane and fumaric acid.","Chemical communications (Cambridge, England)","2024","60","75","10310","10313","10.1039/d4cc02183e","","x-ray","1.54184","CuKα","","0.0214","0.0192","","","0.0497","0.0517","","","","","","1.0766","","","","has coordinates","295130","2024-10-06","05:54:55",""
"7133546","16.68","0.04","4.7884","0.001","19.65","0.05","90","","109.1","0.3","90","","1483","6","298","","298","","","","80000","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał","Metal-free negative linear compressibility (NLC) material - the cocrystal of 1,2-bis(4-pyridyl)ethane and fumaric acid.","Chemical communications (Cambridge, England)","2024","60","75","10310","10313","10.1039/d4cc02183e","","x-ray","0.71073","MoKα","","0.2118","0.0682","","","0.1193","0.1676","","","","","","1.016","","","","has coordinates","295130","2024-10-06","05:55:12",""
"7133547","16.686","0.012","4.6593","0.0013","19.75","0.03","90","","110.45","0.12","90","","1439","3","298","","298","","","","350000","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał","Metal-free negative linear compressibility (NLC) material - the cocrystal of 1,2-bis(4-pyridyl)ethane and fumaric acid.","Chemical communications (Cambridge, England)","2024","60","75","10310","10313","10.1039/d4cc02183e","","x-ray","0.71073","MoKα","","0.1554","0.0891","","","0.216","0.2671","","","","","","1.004","","","","has coordinates","295130","2024-10-06","05:55:13",""
"7133548","16.758","0.008","4.3755","0.001","19.955","0.011","90","","113.05","0.06","90","","1346.4","1.2","298","","298","","","","1250000","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał","Metal-free negative linear compressibility (NLC) material - the cocrystal of 1,2-bis(4-pyridyl)ethane and fumaric acid.","Chemical communications (Cambridge, England)","2024","60","75","10310","10313","10.1039/d4cc02183e","","x-ray","0.71073","MoKα","","0.1097","0.066","","","0.1598","0.1918","","","","","","1.058","","","","has coordinates","295130","2024-10-06","05:55:13",""
"7133549","16.72","0.02","4.4815","0.0007","19.84","0.03","90","","111.79","0.18","90","","1380","3","298","","298","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał","Metal-free negative linear compressibility (NLC) material - the cocrystal of 1,2-bis(4-pyridyl)ethane and fumaric acid.","Chemical communications (Cambridge, England)","2024","60","75","10310","10313","10.1039/d4cc02183e","","x-ray","0.71073","MoKα","","0.2022","0.0864","","","0.1671","0.2278","","","","","","1.061","","","","has coordinates","295130","2024-10-06","05:55:13",""
"7133550","16.89","0.05","3.993","0.0004","20.19","0.05","90","","115.9","0.4","90","","1225","6","298","","298","","","","3580000","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał","Metal-free negative linear compressibility (NLC) material - the cocrystal of 1,2-bis(4-pyridyl)ethane and fumaric acid.","Chemical communications (Cambridge, England)","2024","60","75","10310","10313","10.1039/d4cc02183e","","x-ray","0.71073","MoKα","","0.139","0.0826","","","0.2137","0.2789","","","","","","1.097","","","","has coordinates","295130","2024-10-06","05:55:13",""
"7133551","16.874","0.016","4.056","0.0016","20.17","0.02","90","","116.14","0.13","90","","1239","2","298","","298","","","","3000000","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał","Metal-free negative linear compressibility (NLC) material - the cocrystal of 1,2-bis(4-pyridyl)ethane and fumaric acid.","Chemical communications (Cambridge, England)","2024","60","75","10310","10313","10.1039/d4cc02183e","","x-ray","0.71073","MoKα","","0.1186","0.061","","","0.1214","0.1568","","","","","","1.077","","","","has coordinates","295130","2024-10-06","05:55:13",""
"7133552","16.836","0.01","4.1496","0.0011","20.12","0.014","90","","115.18","0.08","90","","1272.1","1.5","298","","298","","","","2440000","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał","Metal-free negative linear compressibility (NLC) material - the cocrystal of 1,2-bis(4-pyridyl)ethane and fumaric acid.","Chemical communications (Cambridge, England)","2024","60","75","10310","10313","10.1039/d4cc02183e","","x-ray","0.71073","MoKα","","0.1491","0.0696","","","0.1673","0.236","","","","","","1.07","","","","has coordinates","295130","2024-10-06","05:55:13",""
"7133553","16.79","0.09","4.3174","0.0013","19.94","0.09","90","","113.2","0.6","90","","1329","11","298","","298","","","","1330000","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał","Metal-free negative linear compressibility (NLC) material - the cocrystal of 1,2-bis(4-pyridyl)ethane and fumaric acid.","Chemical communications (Cambridge, England)","2024","60","75","10310","10313","10.1039/d4cc02183e","","x-ray","0.71073","MoKα","","0.1895","0.0674","","","0.1361","0.183","","","","","","0.998","","","","has coordinates","295130","2024-10-06","05:55:13",""
"7133554","16.72","0.03","4.7728","0.0007","19.7","0.04","90","","110.1","0.2","90","","1476","4","298","","298","","","","150000","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał","Metal-free negative linear compressibility (NLC) material - the cocrystal of 1,2-bis(4-pyridyl)ethane and fumaric acid.","Chemical communications (Cambridge, England)","2024","60","75","10310","10313","10.1039/d4cc02183e","","x-ray","0.71073","MoKα","","0.2189","0.0681","","","0.1138","0.1687","","","","","","1.022","","","","has coordinates","295130","2024-10-06","05:55:13",""
"7133555","16.7","0.03","4.702","0.0006","19.65","0.04","90","","110.1","0.3","90","","1449","5","298","","298","","","","290000","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał","Metal-free negative linear compressibility (NLC) material - the cocrystal of 1,2-bis(4-pyridyl)ethane and fumaric acid.","Chemical communications (Cambridge, England)","2024","60","75","10310","10313","10.1039/d4cc02183e","","x-ray","0.71073","MoKα","","0.166","0.0671","","","0.1416","0.1842","","","","","","1.068","","","","has coordinates","295130","2024-10-06","05:55:13",""
"7133556","16.758","0.012","4.5205","0.0017","19.83","0.02","90","","111.8","0.11","90","","1395","2","298","","298","","","","790000","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał","Metal-free negative linear compressibility (NLC) material - the cocrystal of 1,2-bis(4-pyridyl)ethane and fumaric acid.","Chemical communications (Cambridge, England)","2024","60","75","10310","10313","10.1039/d4cc02183e","","x-ray","0.71073","MoKα","","0.1443","0.0851","","","0.2074","0.2642","","","","","","1.036","","","","has coordinates","295130","2024-10-06","05:55:13",""
"7133557","16.808","0.006","4.246","0.0008","20.027","0.008","90","","114.38","0.05","90","","1301.8","0.9","298","","298","","","","1850000","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał","Metal-free negative linear compressibility (NLC) material - the cocrystal of 1,2-bis(4-pyridyl)ethane and fumaric acid.","Chemical communications (Cambridge, England)","2024","60","75","10310","10313","10.1039/d4cc02183e","","x-ray","0.71073","MoKα","","0.1205","0.0585","","","0.1524","0.1976","","","","","","1.126","","","","has coordinates","295130","2024-10-06","05:55:13",""
"7133558","16.73","0.03","4.5924","0.0006","19.74","0.04","90","","110.9","0.3","90","","1417","5","298","","298","","","","530000","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał","Metal-free negative linear compressibility (NLC) material - the cocrystal of 1,2-bis(4-pyridyl)ethane and fumaric acid.","Chemical communications (Cambridge, England)","2024","60","75","10310","10313","10.1039/d4cc02183e","","x-ray","0.71073","MoKα","","0.1835","0.0763","","","0.1472","0.1803","","","","","","1.028","","","","has coordinates","295130","2024-10-06","05:55:13",""
"7133559","7.2717","0.0009","6.1735","0.0009","17.314","0.002","90","","100.127","0.012","90","","765.15","0.17","289","13","289.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 F N O3 -","- C16 H18 F N O3 -","- C32 H36 F2 N2 O6 -","2","1","","Mao, Wei-Xin; Zhou, Long-Xing; Deng, Xin; Lan, Jin-Fei; Song, Xian-Jiang; Zhang, Han-Yue","H/F substitution achieves high piezoelectricity in enantiomeric molecular crystals.","Chemical communications (Cambridge, England)","2024","60","74","10172","10175","10.1039/d4cc03343d","","","1.54184","CuKα","","0.0934","0.078","","","0.2212","0.252","","","","","","1.142","","","","has coordinates","295134","2024-10-06","06:00:17",""
"7133560","6.1046","0.0002","7.3469","0.0002","33.6375","0.0009","90","","90","","90","","1508.64","0.08","298.7","0.9","299.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","","Mao, Wei-Xin; Zhou, Long-Xing; Deng, Xin; Lan, Jin-Fei; Song, Xian-Jiang; Zhang, Han-Yue","H/F substitution achieves high piezoelectricity in enantiomeric molecular crystals.","Chemical communications (Cambridge, England)","2024","60","74","10172","10175","10.1039/d4cc03343d","","","1.54184","CuKα","","0.0548","0.0496","","","0.142","0.1471","","","","","","1.05","","","","has coordinates","295134","2024-10-06","06:00:24",""
"7133561","7.282","0.0002","6.1726","0.0002","17.307","0.0005","90","","100.162","0.002","90","","765.73","0.04","296.23","0.1","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 F N O3 -","- C16 H18 F N O3 -","- C32 H36 F2 N2 O6 -","2","1","","Mao, Wei-Xin; Zhou, Long-Xing; Deng, Xin; Lan, Jin-Fei; Song, Xian-Jiang; Zhang, Han-Yue","H/F substitution achieves high piezoelectricity in enantiomeric molecular crystals.","Chemical communications (Cambridge, England)","2024","60","74","10172","10175","10.1039/d4cc03343d","","","1.54184","CuKα","","0.0665","0.06","","","0.1807","0.1902","","","","","","1.082","","","","has coordinates","295134","2024-10-06","06:00:24",""
"7133562","7.2717","0.0009","6.3005","0.0013","17.295","0.002","90","","99.245","0.012","90","","782.1","0.2","339.97","0.11","340.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 F N O3 -","- C16 H18 F N O3 -","- C32 H36 F2 N2 O6 -","2","1","","Mao, Wei-Xin; Zhou, Long-Xing; Deng, Xin; Lan, Jin-Fei; Song, Xian-Jiang; Zhang, Han-Yue","H/F substitution achieves high piezoelectricity in enantiomeric molecular crystals.","Chemical communications (Cambridge, England)","2024","60","74","10172","10175","10.1039/d4cc03343d","","","1.54184","CuKα","","0.1112","0.0878","","","0.2715","0.2987","","","","","","1.177","","","","has coordinates","295134","2024-10-06","06:00:24",""
"7133563","12.0189","0.0003","6.0835","0.0002","20.734","0.0006","90","","90.471","0.003","90","","1515.96","0.08","299.98","0.1","299.98","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","","Mao, Wei-Xin; Zhou, Long-Xing; Deng, Xin; Lan, Jin-Fei; Song, Xian-Jiang; Zhang, Han-Yue","H/F substitution achieves high piezoelectricity in enantiomeric molecular crystals.","Chemical communications (Cambridge, England)","2024","60","74","10172","10175","10.1039/d4cc03343d","","","1.54184","CuKα","","0.0517","0.0419","","","0.1175","0.1275","","","","","","1.05","","","","has coordinates","295134","2024-10-06","06:00:24",""
"7133564","6.1092","0.0002","7.3483","0.0003","33.6266","0.0012","90","","90","","90","","1509.57","0.1","299.98","0.11","300.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","","Mao, Wei-Xin; Zhou, Long-Xing; Deng, Xin; Lan, Jin-Fei; Song, Xian-Jiang; Zhang, Han-Yue","H/F substitution achieves high piezoelectricity in enantiomeric molecular crystals.","Chemical communications (Cambridge, England)","2024","60","74","10172","10175","10.1039/d4cc03343d","","","1.54184","CuKα","","0.0537","0.0453","","","0.1328","0.1413","","","","","","1.054","","","","has coordinates","295134","2024-10-06","06:00:24",""
"7133565","7.275","0.0008","6.2945","0.0007","17.3045","0.0018","90","","99.161","0.01","90","","782.31","0.15","339.99","0.12","339.99","0.12","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 F N O3 -","- C16 H18 F N O3 -","- C32 H36 F2 N2 O6 -","2","1","","Mao, Wei-Xin; Zhou, Long-Xing; Deng, Xin; Lan, Jin-Fei; Song, Xian-Jiang; Zhang, Han-Yue","H/F substitution achieves high piezoelectricity in enantiomeric molecular crystals.","Chemical communications (Cambridge, England)","2024","60","74","10172","10175","10.1039/d4cc03343d","","","1.54184","CuKα","","0.0997","0.0764","","","0.2153","0.2433","","","","","","1.039","","","","has coordinates","295134","2024-10-06","06:00:24",""
"7133566","12.2351","0.0003","6.075","0.0001","20.639","0.0004","90","","91.293","0.002","90","","1533.67","0.05","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 F N O3 -","- C16 H18 F N O3 -","- C64 H72 F4 N4 O12 -","4","1","","Mao, Wei-Xin; Zhou, Long-Xing; Deng, Xin; Lan, Jin-Fei; Song, Xian-Jiang; Zhang, Han-Yue","H/F substitution achieves high piezoelectricity in enantiomeric molecular crystals.","Chemical communications (Cambridge, England)","2024","60","74","10172","10175","10.1039/d4cc03343d","","","1.54184","CuKα","","0.0465","0.0388","","","0.107","0.113","","","","","","1.067","","","","has coordinates","295134","2024-10-06","06:00:24",""
"7133567","18.5357","0.0003","22.5645","0.0003","21.6949","0.0004","90","","114.868","0.002","90","","8232.5","0.3","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","LC105","","- C104 H56 Fe2 N8 O -","- C104 H56 Fe2 N8 O -","- C416 H224 Fe8 N32 O4 -","4","0.5","","Curet, Leonard; Foix, Dominique; Palomares, Emilio; Billon, Laurent; Viterisi, Aurelien","Porphyrin-silver acetylide cluster catalysts with dual active sites for the electrochemical reduction of CO<sub>2</sub>.","Chemical communications (Cambridge, England)","2024","60","74","10168","10171","10.1039/d4cc03836c","","","0.71075","MoKα","","0.0562","0.0381","","","0.0956","0.1034","","","","","","1.041","","","","has coordinates","295136","2024-10-06","06:02:11",""
"7133568","7.9986","0.0002","11.2283","0.0005","12.0453","0.0006","75.135","0.004","71.203","0.004","79.42","0.003","983.78","0.08","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H13 Br Mn N5 O3 -","- C20 H13 Br Mn N5 O3 -","- C40 H26 Br2 Mn2 N10 O6 -","2","1","","Das, Chandan; Ghosh, Suchismita; Biswas, Rathindranath; Lahiri, Goutam K.; Dutta, Arnab","A ligand-modulated photostable Mn(I)-carbonyl complex for preferential conversion of CO<sub>2</sub> to CO in water.","Chemical communications (Cambridge, England)","2024","60","76","10492","10495","10.1039/d4cc03202k","","x-ray","0.71073","MoKα","","0.1432","0.0546","","","0.0817","0.1003","","","","","","1.035","","","","has coordinates","295122","2024-10-06","05:39:05",""
"7133569","50.2984","0.0012","6.8837","0.0002","9.6648","0.0003","90","","90","","90","","3346.33","0.16","104","0.1","104","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15 Br Mn N6 O3 -","- C15 Br Mn N6 O3 -","- C120 Br8 Mn8 N48 O24 -","8","2","","Das, Chandan; Ghosh, Suchismita; Biswas, Rathindranath; Lahiri, Goutam K.; Dutta, Arnab","A ligand-modulated photostable Mn(I)-carbonyl complex for preferential conversion of CO<sub>2</sub> to CO in water.","Chemical communications (Cambridge, England)","2024","60","76","10492","10495","10.1039/d4cc03202k","","x-ray","0.71073","MoKα","","0.2535","0.1739","","","0.3836","0.4032","","","","","","2.017","","","","has coordinates","295122","2024-10-06","05:39:08",""
"7133570","9.2634","0.0003","11.5165","0.0004","19.7935","0.0009","90","","95.013","0.003","90","","2103.53","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 I N6 -","- C21 H19 I N6 -","- C84 H76 I4 N24 -","4","1","","Singh, Sapna; Velloth, Archana; Rajani, ?; Goyal, Manu; Kaur, Navneet; Singh, Sanjay; Venkataramani, Sugumar","Neutral and ionic <i>N</i>-methyl phenylazo-3,5-(di-2-pyridyl)pyrazole photoswitches: probes for reversible pH modulation by light.","Chemical communications (Cambridge, England)","2024","60","77","10776","10779","10.1039/d4cc03455d","","","0.71073","MoKα","","0.0734","0.0541","","","0.1603","0.1922","","","","","","1.07","","","","has coordinates","295106","2024-10-06","05:16:09",""
"7133571","11.6528","0.0009","18.0105","0.001","10.8343","0.0008","90","","106.939","0.008","90","","2175.2","0.3","250","0.1","250.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 I N6 -","- C22 H21 I N6 -","- C88 H84 I4 N24 -","4","1","","Singh, Sapna; Velloth, Archana; Rajani, ?; Goyal, Manu; Kaur, Navneet; Singh, Sanjay; Venkataramani, Sugumar","Neutral and ionic <i>N</i>-methyl phenylazo-3,5-(di-2-pyridyl)pyrazole photoswitches: probes for reversible pH modulation by light.","Chemical communications (Cambridge, England)","2024","60","77","10776","10779","10.1039/d4cc03455d","","","0.71073","MoKα","","0.054","0.0366","","","0.0776","0.0905","","","","","","1.073","","","","has coordinates","295106","2024-10-06","05:16:17",""
"7133572","6.7267","0.0002","8.4253","0.0003","16.8186","0.0006","90","","96.173","0.001","90","","947.66","0.06","273","2","273.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H22 Cu2 I4 N2 -","- C9 H22 Cu2 I4 N2 -","- C18 H44 Cu4 I8 N4 -","2","1","","Gong, Zhongliang; Zhang, Jie; Liu, Ying-Yue; Zhang, Lu-Xin; Zhang, Qing; Xiao, Lingyun; Cao, Bingqiang; Hu, Bing; Lei, Xiao-Wu","One-dimensional hybrid copper halides with high-efficiency photoluminescence as scintillator.","Chemical communications (Cambridge, England)","2024","60","76","10528","10531","10.1039/d4cc03296a","","","0.71073","MoKα","","0.0235","0.022","","","0.0479","0.0486","","","","","","1.071","","","","has coordinates,has disorder","295119","2024-10-06","05:34:24",""
"7133573","34.451","0.007","4.6905","0.001","20.015","0.004","90","","118.803","0.006","90","","2834.1","1","170","","170","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H11 N11 O4 -","- C9 H11 N11 O4 -","- C72 H88 N88 O32 -","8","1","","Yang, Pengju; Zheng, Xiaoxiao; Zhang, Guojie; Lei, Caijing; Cheng, Guangbin; Yang, Hongwei","Construction of heterocycle-triazolotriazine framework energetic compounds: towards novel high-performance explosives.","Chemical communications (Cambridge, England)","2024","60","76","10588","10591","10.1039/d4cc03260h","","","0.71073","MoKα","","0.0904","0.0498","","","0.1016","0.1207","","","","","","1.074","","","","has coordinates,has disorder","295120","2024-10-06","05:36:40",""
"7133574","15.467","0.003","6.7622","0.0007","20.528","0.002","90","","90","","90","","2147","0.5","193","","193","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C7 H4 N10 O4 -","- C7 H4 N10 O4 -","- C56 H32 N80 O32 -","8","1","","Yang, Pengju; Zheng, Xiaoxiao; Zhang, Guojie; Lei, Caijing; Cheng, Guangbin; Yang, Hongwei","Construction of heterocycle-triazolotriazine framework energetic compounds: towards novel high-performance explosives.","Chemical communications (Cambridge, England)","2024","60","76","10588","10591","10.1039/d4cc03260h","","","1.54178","CuKα","","0.0578","0.046","","","0.1166","0.1266","","","","","","1.033","","","","has coordinates","295120","2024-10-06","05:36:46",""
"7133575","9.966","0.002","13.36","0.003","18.602","0.004","90","","94.827","0.007","90","","2468","0.9","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 N11 O6 -","- C6 H7 N11 O6 -","- C48 H56 N88 O48 -","8","2","","Yang, Pengju; Zheng, Xiaoxiao; Zhang, Guojie; Lei, Caijing; Cheng, Guangbin; Yang, Hongwei","Construction of heterocycle-triazolotriazine framework energetic compounds: towards novel high-performance explosives.","Chemical communications (Cambridge, England)","2024","60","76","10588","10591","10.1039/d4cc03260h","","","0.71073","MoKα","","0.1306","0.0601","","","0.1241","0.1609","","","","","","1.009","","","","has coordinates","295120","2024-10-06","05:36:46",""
"7133576","17.1231","0.0003","8.8768","0.0002","13.2163","0.0003","90","","92.837","0.002","90","","2006.39","0.07","298.69","0.1","298.69","0.1","","","","","","","","7","I 1 a 1","I -2ya","9","","","","- C17 H19 B Cu N6 O2 S -","- C17 H19 B Cu N6 O2 S -","- C68 H76 B4 Cu4 N24 O8 S4 -","4","1","","Lu, Chen; Hong, Qin-Long; Zhang, Hai-Xia; Zhang, Jian","Enhancing CO<sub>2</sub> electroreduction to ethylene <i>via</i> microenvironment regulation in boron-imidazolate frameworks.","Chemical communications (Cambridge, England)","2024","60","74","10204","10207","10.1039/d4cc02928c","","x-ray","1.3405","GaKα","","0.048","0.0458","","","0.1247","0.1269","","","","","","1.04","","","","has coordinates","295137","2024-10-06","06:03:12",""
"7133577","12.9474","0.0002","8.9144","0.0001","17.0439","0.0003","90","","94.799","0.001","90","","1960.28","0.05","100","0.3","100","0.3","","","","","","","","7","I 1 a 1","I -2ya","9","","","","- C17 H19 B Cu N6 O2 S -","- C17.004 H19.004 B Cu N6 O2 S0.996 -","- C68.016 H76.016 B4 Cu4 N24 O8 S3.984 -","4","1","","Lu, Chen; Hong, Qin-Long; Zhang, Hai-Xia; Zhang, Jian","Enhancing CO<sub>2</sub> electroreduction to ethylene <i>via</i> microenvironment regulation in boron-imidazolate frameworks.","Chemical communications (Cambridge, England)","2024","60","74","10204","10207","10.1039/d4cc02928c","","x-ray","1.3405","GaKα","","0.0518","0.0496","","","0.1197","0.1209","","","","","","1.054","","","","has coordinates,has disorder","295137","2024-10-06","06:03:14",""
"7133578","12.6893","0.0003","8.8027","0.0002","17.1269","0.0004","90","","92.777","0.002","90","","1910.83","0.08","103.2","0.4","103.2","0.4","","","","","","","","6","I 1 a 1","I -2ya","9","","","","- C18 H19 B Cu N6 O3 -","- C17 H19 B Cu N6 O3 -","- C68 H76 B4 Cu4 N24 O12 -","4","1","","Lu, Chen; Hong, Qin-Long; Zhang, Hai-Xia; Zhang, Jian","Enhancing CO<sub>2</sub> electroreduction to ethylene <i>via</i> microenvironment regulation in boron-imidazolate frameworks.","Chemical communications (Cambridge, England)","2024","60","74","10204","10207","10.1039/d4cc02928c","","x-ray","1.3405","GaKα","","0.0279","0.0267","","","0.0674","0.0677","","","","","","1.044","","","","has coordinates","295137","2024-10-06","06:03:14",""
"7133579","12.5552","0.0002","8.8103","0.0001","17.1609","0.0002","90","","92.038","0.001","90","","1897.05","0.04","100","0.3","100","0.3","","","","","","","","6","I 1 a 1","I -2ya","9","","","","- C17 H19 B Cu N6 O3 -","- C17 H19 B Cu N6 O3 -","- C68 H76 B4 Cu4 N24 O12 -","4","1","","Lu, Chen; Hong, Qin-Long; Zhang, Hai-Xia; Zhang, Jian","Enhancing CO<sub>2</sub> electroreduction to ethylene <i>via</i> microenvironment regulation in boron-imidazolate frameworks.","Chemical communications (Cambridge, England)","2024","60","74","10204","10207","10.1039/d4cc02928c","","x-ray","1.3405","GaKα","","0.0395","0.0383","","","0.0993","0.1","","","","","","1.051","","","","has coordinates","295137","2024-10-06","06:03:14",""
"7133580","5.852","","19.044","","14.544","","90","","101.05","","90","","1590.81","","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 N O2 S Se -","- C17 H13 N O2 S Se -","- C68 H52 N4 O8 S4 Se4 -","4","1","","Chen, Jiabin; Bai, Xiaoyan; Jiang, Haobo; Zhao, Cong; Li, Ya; Chu, Mingming; Li, Yiming; Zhang, Min; Chen, Lu","Metal-free radical selenothiocyanation of terminal and internal alkynes.","Chemical communications (Cambridge, England)","2024","60","74","10196","10199","10.1039/d4cc03391d","","","0.71073","MoKα","","0.0935","0.0404","","","0.0865","0.1214","","","","","","0.989","","","","has coordinates","295132","2024-10-06","05:57:10",""
"7133581","10.0243","0.0004","12.5308","0.0005","18.4588","0.0008","90","","90.581","0.001","90","","2318.54","0.16","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H30 N2 O2 -","- C27 H30 N2 O2 -","- C108 H120 N8 O8 -","4","1","","Thalakottukara, Dolly David; Gandhi, Thirumanavelan","Engaging vinylene carbonate in ruthenium-catalyzed regioselective C-4 methylenation and C-8 formylmethylation of isoquinolinones.","Chemical communications (Cambridge, England)","2024","60","75","10358","10361","10.1039/d4cc03466j","","","0.71073","MoKα","","0.0947","0.059","","","0.1564","0.1808","","","","","","1.032","","","","has coordinates","295131","2024-10-06","05:56:16",""
"7133582","10.4851","0.0005","11.5807","0.0005","13.2811","0.0007","66.245","0.002","74.285","0.002","70.005","0.002","1370.34","0.12","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C35 H30 N2 O2 -","- C35 H30 N2 O2 -","- C70 H60 N4 O4 -","2","1","","Thalakottukara, Dolly David; Gandhi, Thirumanavelan","Engaging vinylene carbonate in ruthenium-catalyzed regioselective C-4 methylenation and C-8 formylmethylation of isoquinolinones.","Chemical communications (Cambridge, England)","2024","60","75","10358","10361","10.1039/d4cc03466j","","","0.71073","MoKα","","0.1771","0.0691","","","0.1716","0.2278","","","","","","1.019","","","","has coordinates,has disorder","295131","2024-10-06","05:56:25",""
"7133583","11.441","0.002","13.07","0.002","20.184","0.003","90","","105.086","0.004","90","","2914.2","0.8","296","2","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 Cl N2 O2 -","- C17 H13 Cl N2 O2 -","- C136 H104 Cl8 N16 O16 -","8","2","","Das, Krishna Kanta; Hajra, Alakananda","Non-directed oxidative annulation of 2-arylindazoles with electron deficient olefins <i>via</i> visible light photocatalysis.","Chemical communications (Cambridge, England)","2024","60","75","10402","10405","10.1039/d4cc03657c","","","0.71073","MoKα","","0.0562","0.0449","","","0.1119","0.1299","","","","","","1.078","","","","has coordinates","295127","2024-10-06","05:49:53",""
"7133584","9.8046","0.0007","11.0611","0.0007","16.2733","0.0011","85.355","0.003","83.387","0.004","68.662","0.003","1631.46","0.19","100","2","100","0","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 N12 O4 W Zn1.5 -","- C24 H36 N12 O4 W Zn1.5 -","- C48 H72 N24 O8 W2 Zn3 -","2","1","","Jędrzejowska, Katarzyna; Kobylarczyk, Jedrzej; Muzioł, Tadeusz M; Nowicka, Beata; Jędrzejowski, Damian; Matoga, Dariusz; Gaweł, Bartłomiej; Podgajny, Robert","Exploring porosity in a flexible 3D organic-inorganic {ZnII3(4DPNDI)[W<sup>V</sup>(CN)<sub>8</sub>]<sub>2</sub>} coordination network.","Chemical communications (Cambridge, England)","2024","60","77","10704","10707","10.1039/d4cc03141e","","","0.71073","MoKα","","0.0604","0.0488","","","0.1038","0.1079","","","","","","1.163","","","","has coordinates","295113","2024-10-06","05:23:13",""
"7133585","9.7937","0.0004","16.0738","0.0007","19.6573","0.0009","103.573","0.002","102.206","0.002","94.073","0.001","2916.3","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H84 N28 O12 W2 Zn3 -","- C72 H84 N28 O12 W2 Zn3 -","- C72 H84 N28 O12 W2 Zn3 -","1","0.5","","Jędrzejowska, Katarzyna; Kobylarczyk, Jedrzej; Muzioł, Tadeusz M; Nowicka, Beata; Jędrzejowski, Damian; Matoga, Dariusz; Gaweł, Bartłomiej; Podgajny, Robert","Exploring porosity in a flexible 3D organic-inorganic {ZnII3(4DPNDI)[W<sup>V</sup>(CN)<sub>8</sub>]<sub>2</sub>} coordination network.","Chemical communications (Cambridge, England)","2024","60","77","10704","10707","10.1039/d4cc03141e","","","0.71073","MoKα","","0.0621","0.0506","","","0.1176","0.1225","","","","","","1.093","","","","has coordinates,has disorder","295113","2024-10-06","05:23:25",""
"7133586","34.1234","0.0013","18.2693","0.0007","19.4972","0.0008","90","","108.812","0.002","90","","11505.5","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(Î1/4-chloro)-hexakis(3,5-di-t-butylphenyl)-difluoro-di-bismuth tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C116 H138 B Bi2 Cl3 F24 -","- C116 H138 B Bi2 Cl3 F24 -","- C464 H552 B4 Bi8 Cl12 F96 -","4","0.5","","Kuziola, Jennifer; Nöthling, Nils; Leutzsch, Markus; Cornella, Josep","Synthesis and characterization of chlorotriarylbismuthonium salts.","Chemical communications (Cambridge, England)","2024","60","76","10532","10535","10.1039/d4cc03364g","","","0.71073","Mo-Kα","","0.0394","0.0301","","","0.0739","0.0796","","","","","","1.043","","","","has coordinates,has disorder","295116","2024-10-06","05:29:46",""
"7133587","15.9412","0.0006","10.4632","0.0004","13.6006","0.0005","90","","90","","90","","2268.53","0.15","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","tris(3,5-diemthylphenyl)bimuth dichloride","","- C24 H27 Bi Cl2 -","- C24 H27 Bi Cl2 -","- C96 H108 Bi4 Cl8 -","4","0.5","","Kuziola, Jennifer; Nöthling, Nils; Leutzsch, Markus; Cornella, Josep","Synthesis and characterization of chlorotriarylbismuthonium salts.","Chemical communications (Cambridge, England)","2024","60","76","10532","10535","10.1039/d4cc03364g","","","0.71073","Mo-Kα","","0.0338","0.0163","","","0.0291","0.033","","","","","","1.013","","","","has coordinates","295116","2024-10-06","05:30:03",""
"7133588","10.8125","0.0004","12.0526","0.0004","13.0336","0.0005","91.274","0.002","104.828","0.002","99.677","0.002","1614.8","0.1","150","2","150","2","","","","","","","","8","P 1","P 1","1","","((chloromesityl-λ^5^-bismut)oxy)pyridinium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C64 H50 B Bi Cl F24 N O -","- C64 H50 B Bi Cl F24 N O -","- C64 H50 B Bi Cl F24 N O -","1","1","","Kuziola, Jennifer; Nöthling, Nils; Leutzsch, Markus; Cornella, Josep","Synthesis and characterization of chlorotriarylbismuthonium salts.","Chemical communications (Cambridge, England)","2024","60","76","10532","10535","10.1039/d4cc03364g","","","0.71073","Mo-Kα","","0.0437","0.0371","","","0.0777","0.0806","","","","","","0.98","","","","has coordinates,has disorder","295116","2024-10-06","05:30:04",""
"7133589","8.7522","0.001","16.926","0.0019","18.92","0.002","110.973","0.004","97.457","0.004","95.362","0.004","2565.2","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Trimesitylbismuth dichloride","","- C27 H33 Bi Cl2 -","- C27 H33 Bi Cl2 -","- C108 H132 Bi4 Cl8 -","4","2","","Kuziola, Jennifer; Nöthling, Nils; Leutzsch, Markus; Cornella, Josep","Synthesis and characterization of chlorotriarylbismuthonium salts.","Chemical communications (Cambridge, England)","2024","60","76","10532","10535","10.1039/d4cc03364g","","","0.71073","Mo-Kα","","0.0341","0.0269","","","0.0664","0.0689","","","","","","1.078","","","","has coordinates","295116","2024-10-06","05:30:05",""
"7133590","18.1228","0.0008","15.8254","0.0006","20.0417","0.0009","90","","106.109","0.002","90","","5522.3","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chloro-tris(3,5-dimethylphenyl)bismuthonium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C56 H39 B Bi Cl F24 -","- C56 H39 B Bi Cl F24 -","- C224 H156 B4 Bi4 Cl4 F96 -","4","1","","Kuziola, Jennifer; Nöthling, Nils; Leutzsch, Markus; Cornella, Josep","Synthesis and characterization of chlorotriarylbismuthonium salts.","Chemical communications (Cambridge, England)","2024","60","76","10532","10535","10.1039/d4cc03364g","","","0.71073","Mo-Kα","","0.0486","0.0329","","","0.0741","0.0809","","","","","","1.027","","","","has coordinates,has disorder","295116","2024-10-06","05:30:06",""
"7133591","10.7948","0.0004","10.7948","0.0004","30.6951","0.0019","90","","90","","120","","3097.6","0.3","100","2","100","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","tris(3,5-di-t-butylphenyl)-dichloro-bismuth","","- C42 H63 Bi Cl2 -","- C42 H63 Bi Cl2 -","- C126 H189 Bi3 Cl6 -","3","0.5","","Kuziola, Jennifer; Nöthling, Nils; Leutzsch, Markus; Cornella, Josep","Synthesis and characterization of chlorotriarylbismuthonium salts.","Chemical communications (Cambridge, England)","2024","60","76","10532","10535","10.1039/d4cc03364g","","","0.71073","Mo-Kα","","0.0248","0.0241","","","0.0475","0.0478","","","","","","1.006","","","","has coordinates","295116","2024-10-06","05:30:06",""
"7133592","12.9043","0.0018","14.639","0.002","20.359","0.003","108.297","0.006","98.848","0.007","94.297","0.007","3576.8","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(μ-chloro)-hexakisphenyl-dichloro-di-bismuth tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C68 H42 B Bi2 Cl3 F24 -","- C68 H42 B Bi2 Cl3 F24 -","- C136 H84 B2 Bi4 Cl6 F48 -","2","1","","Kuziola, Jennifer; Nöthling, Nils; Leutzsch, Markus; Cornella, Josep","Synthesis and characterization of chlorotriarylbismuthonium salts.","Chemical communications (Cambridge, England)","2024","60","76","10532","10535","10.1039/d4cc03364g","","","0.71073","MoKα","","0.0244","0.0217","","","0.0505","0.0522","","","","","","1.028","","","","has coordinates,has disorder","295116","2024-10-06","05:30:06",""
"7133593","23.4081","0.0003","9.8502","0.0001","24.8391","0.0004","90","","117.035","0.002","90","","5101.44","0.15","122.97","0.19","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H42 N2 O Si2 Sn -","- C24 H42 N2 O Si2 Sn -","- C192 H336 N16 O8 Si16 Sn8 -","8","1","","Evans, Matthew J.; Parr, Joseph M.; Nguyen, Dat T.; Jones, Cameron","An isolable stannaimine and its cycloaddition/metathesis reactions with carbon dioxide.","Chemical communications (Cambridge, England)","2024","60","75","10350","10353","10.1039/d4cc04006f","","","1.54184","CuKα","","0.0258","0.0254","","","0.0675","0.0679","","","","","","1.044","","","","has coordinates,has disorder","295124","2024-10-06","05:45:00",""
"7133594","13.3416","0.0002","11.502","0.0001","20.3224","0.0002","90","","95.952","0.001","90","","3101.76","0.06","123.1","0.4","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H52 N2 O -","- C35 H52 N2 O -","- C140 H208 N8 O4 -","4","1","","Evans, Matthew J.; Parr, Joseph M.; Nguyen, Dat T.; Jones, Cameron","An isolable stannaimine and its cycloaddition/metathesis reactions with carbon dioxide.","Chemical communications (Cambridge, England)","2024","60","75","10350","10353","10.1039/d4cc04006f","","","1.54184","CuKα","","0.0694","0.0619","","","0.175","0.1833","","","","","","1.032","","","","has coordinates","295124","2024-10-06","05:45:12",""
"7133595","14.7377","0.0002","12.0636","0.0002","12.0363","0.0002","90","","101.957","0.001","90","","2093.5","0.06","123.01","0.1","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H35 N3 -","- C24 H35 N3 -","- C96 H140 N12 -","4","1","","Evans, Matthew J.; Parr, Joseph M.; Nguyen, Dat T.; Jones, Cameron","An isolable stannaimine and its cycloaddition/metathesis reactions with carbon dioxide.","Chemical communications (Cambridge, England)","2024","60","75","10350","10353","10.1039/d4cc04006f","","","1.54184","CuKα","","0.044","0.0401","","","0.105","0.1081","","","","","","1.062","","","","has coordinates","295124","2024-10-06","05:45:17",""
"7133596","25.1156","0.0004","18.2987","0.0002","24.195","0.0003","90","","90","","90","","11119.6","0.3","123","0.2","123","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C58 H97 N3 O3.5 Si2 Sn -","- C58 H97 N3 O3.5 Si2 Sn -","- C464 H776 N24 O28 Si16 Sn8 -","8","1","","Evans, Matthew J.; Parr, Joseph M.; Nguyen, Dat T.; Jones, Cameron","An isolable stannaimine and its cycloaddition/metathesis reactions with carbon dioxide.","Chemical communications (Cambridge, England)","2024","60","75","10350","10353","10.1039/d4cc04006f","","","1.54184","CuKα","","0.0667","0.0533","","","0.1398","0.1523","","","","","","1.049","","","","has coordinates,has disorder","295124","2024-10-06","05:45:20",""
"7133597","12.0306","0.0002","12.477","0.0002","18.1078","0.0004","101.088","0.002","90.514","0.002","107.761","0.002","2533.55","0.09","122.98","0.13","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H42 N2 O Si2 Sn -","- C24 H42 N2 O Si2 Sn -","- C96 H168 N8 O4 Si8 Sn4 -","4","2","","Evans, Matthew J.; Parr, Joseph M.; Nguyen, Dat T.; Jones, Cameron","An isolable stannaimine and its cycloaddition/metathesis reactions with carbon dioxide.","Chemical communications (Cambridge, England)","2024","60","75","10350","10353","10.1039/d4cc04006f","","","1.54184","CuKα","","0.054","0.0524","","","0.1379","0.1389","","","","","","1.053","","","","has coordinates","295124","2024-10-06","05:45:20",""
"7133598","15.85","0.003","25.75","0.005","28.57","0.006","90","","90","","90","","11660","4","100","2","100","2","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C49 H77 N3 O3 Si2 Sn -","- C49 H77 N3 O3 Si2 Sn -","- C392 H616 N24 O24 Si16 Sn8 -","8","1","","Evans, Matthew J.; Parr, Joseph M.; Nguyen, Dat T.; Jones, Cameron","An isolable stannaimine and its cycloaddition/metathesis reactions with carbon dioxide.","Chemical communications (Cambridge, England)","2024","60","75","10350","10353","10.1039/d4cc04006f","","","0.71073","Synchrotron","","0.086","0.0787","","","0.2127","0.2284","","","","","","1.045","","","","has coordinates","295124","2024-10-06","05:45:20",""
"7133599","13.8814","0.0001","15.8082","0.0001","12.1292","0.0001","90","","108.98","0.001","90","","2516.92","0.04","123","0.1","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H84 N4 O2 Si4 Sn2 -","- C48 H84 N4 O2 Si4 Sn2 -","- C96 H168 N8 O4 Si8 Sn4 -","2","0.5","","Evans, Matthew J.; Parr, Joseph M.; Nguyen, Dat T.; Jones, Cameron","An isolable stannaimine and its cycloaddition/metathesis reactions with carbon dioxide.","Chemical communications (Cambridge, England)","2024","60","75","10350","10353","10.1039/d4cc04006f","","","1.54184","CuKα","","0.052","0.0503","","","0.1194","0.122","","","","","","1.065","","","","has coordinates","295124","2024-10-06","05:45:20",""
"7133600","12.7009","0.0002","21.8593","0.0004","19.9906","0.0004","90","","96.796","0.002","90","","5511.05","0.17","123","0.2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H89 N3 O Si2 Sn -","- C60 H89 N3 O Si2 Sn -","- C240 H356 N12 O4 Si8 Sn4 -","4","1","","Evans, Matthew J.; Parr, Joseph M.; Nguyen, Dat T.; Jones, Cameron","An isolable stannaimine and its cycloaddition/metathesis reactions with carbon dioxide.","Chemical communications (Cambridge, England)","2024","60","75","10350","10353","10.1039/d4cc04006f","","","0.71073","MoKα","","0.0643","0.0393","","","0.0827","0.0905","","","","","","1.035","","","","has coordinates","295124","2024-10-06","05:45:20",""
"7133601","11.65","0.002","16.27","0.003","20.41","0.004","110.1","0.03","90.2","0.03","110.9","0.03","3358.7","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C35.5 H55 Br Mg O2 -","- C35.5 H55 Br Mg O2 -","- C142 H220 Br4 Mg4 O8 -","4","2","","Evans, Matthew J.; Parr, Joseph M.; Nguyen, Dat T.; Jones, Cameron","An isolable stannaimine and its cycloaddition/metathesis reactions with carbon dioxide.","Chemical communications (Cambridge, England)","2024","60","75","10350","10353","10.1039/d4cc04006f","","","0.71073","Synchrotron","","0.1201","0.0682","","","0.196","0.2352","","","","","","1.053","","","","has coordinates,has disorder","295124","2024-10-06","05:45:20",""
"7133602","11.1935","0.0002","12.7879","0.0003","16.5797","0.0003","76.517","0.002","79.309","0.002","82.645","0.002","2258.83","0.08","123","0.16","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H77 N3 O Si2 Sn -","- C48 H77 N3 O Si2 Sn -","- C96 H154 N6 O2 Si4 Sn2 -","2","1","","Evans, Matthew J.; Parr, Joseph M.; Nguyen, Dat T.; Jones, Cameron","An isolable stannaimine and its cycloaddition/metathesis reactions with carbon dioxide.","Chemical communications (Cambridge, England)","2024","60","75","10350","10353","10.1039/d4cc04006f","","","1.54184","CuKα","","0.0566","0.0508","","","0.1304","0.1339","","","","","","1.04","","","","has coordinates","295124","2024-10-06","05:45:20",""
"7133603","10.0691","0.0002","12.574","0.0002","18.6212","0.0003","100.696","0.001","91.93","0.002","93.539","0.002","2309.78","0.07","123","0.2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H64 N6 O Si2 Sn -","- C42 H64 N6 O Si2 Sn -","- C84 H128 N12 O2 Si4 Sn2 -","2","1","","Evans, Matthew J.; Parr, Joseph M.; Nguyen, Dat T.; Jones, Cameron","An isolable stannaimine and its cycloaddition/metathesis reactions with carbon dioxide.","Chemical communications (Cambridge, England)","2024","60","75","10350","10353","10.1039/d4cc04006f","","","1.54184","CuKα","","0.0375","0.0362","","","0.0982","0.1009","","","","","","1.069","","","","has coordinates,has disorder","295124","2024-10-06","05:45:20",""
"7133604","12.0275","0.0003","12.2587","0.0002","12.5878","0.0003","76.54","0.002","65.263","0.002","87.402","0.002","1636.51","0.07","149.99","0.1","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H102 N4 O4 Si4 Sn2 -","- C66 H102 N4 O4 Si4 Sn2 -","- C66 H102 N4 O4 Si4 Sn2 -","1","0.5","","Evans, Matthew J.; Parr, Joseph M.; Nguyen, Dat T.; Jones, Cameron","An isolable stannaimine and its cycloaddition/metathesis reactions with carbon dioxide.","Chemical communications (Cambridge, England)","2024","60","75","10350","10353","10.1039/d4cc04006f","","","1.54184","CuKα","","0.047","0.0458","","","0.1176","0.1192","","","","","","1.024","","","","has coordinates","295124","2024-10-06","05:45:20",""
"7133605","15.66","0.003","17.71","0.004","12.13","0.002","90","","107.76","0.03","90","","3203.8","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H100 N4 O2 S2 Si4 Sn2 -","- C62 H100 N4 O2 S2 Si4 Sn2 -","- C124 H200 N8 O4 S4 Si8 Sn4 -","2","0.5","","Evans, Matthew J.; Parr, Joseph M.; Nguyen, Dat T.; Jones, Cameron","An isolable stannaimine and its cycloaddition/metathesis reactions with carbon dioxide.","Chemical communications (Cambridge, England)","2024","60","75","10350","10353","10.1039/d4cc04006f","","","0.71073","Synchrotron","","0.0296","0.0278","","","0.0771","0.0787","","","","","","1.1","","","","has coordinates","295124","2024-10-06","05:45:20",""
"7133606","13.5681","0.0005","10.8817","0.0005","22.3347","0.0008","90","","90","","90","","3297.6","0.2","102","2","102","2","","","","","","","","6","P c a 21","P 2c -2ac","29","methylated fluorosulfurous acid","[FS(OH)(OMe)][SbF6]","","- C H4 F7 O2 S Sb -","- C H4 F7 O2 S Sb -","- C16 H64 F112 O32 S16 Sb16 -","16","4","","Hollenwäger, Dirk; Bockmair, Valentin; Kornath, Andreas J.","The electrophilic methylating agent [SO<sub>2</sub>Me]<sup>+</sup> parent of two cationic species.","Chemical communications (Cambridge, England)","2024","60","74","10148","10151","10.1039/d4cc03400g","","","0.71073","MoKα","","0.0332","0.0279","","","0.0635","0.0665","","","","","","1.102","","","","has coordinates","295135","2024-10-06","06:01:19",""
"7133607","9.7473","0.0009","12.6004","0.0009","10.6035","0.0008","90","","100.743","0.008","90","","1279.5","0.18","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","methylated fluorosulfurous acid methyl ester","[FS(OMe)2][Sb2F11]","","- C2 H6 F12 O2 S Sb2 -","- C2 H6 F12 O2 S Sb2 -","- C8 H24 F48 O8 S4 Sb8 -","4","1","","Hollenwäger, Dirk; Bockmair, Valentin; Kornath, Andreas J.","The electrophilic methylating agent [SO<sub>2</sub>Me]<sup>+</sup> parent of two cationic species.","Chemical communications (Cambridge, England)","2024","60","74","10148","10151","10.1039/d4cc03400g","","","0.71073","MoKα","","0.0483","0.0367","","","0.083","0.0894","","","","","","1.079","","","","has coordinates","295135","2024-10-06","06:01:23",""
"7133608","5.3391","0.0002","11.8521","0.0005","15.6974","0.0006","80.943","0.001","87.184","0.001","84.844","0.001","976.35","0.07","299","2","299","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H26 O -","- C26 H26 O -","- C52 H52 O2 -","2","1","","Samanta, Arup; Chaubey, Amit; Pal, Debjyoti; Majhi, Krishna; Srimani, Dipankar","Redox-enabled cooperative catalysis by activating secondary alcohols using low-valent Zn complexes.","Chemical communications (Cambridge, England)","2024","60","75","10398","10401","10.1039/d4cc03407d","","","0.71073","MoKα","","0.0591","0.0482","","","0.132","0.1519","","","","","","1.061","","","","has coordinates","295125","2024-10-06","05:47:30",""
"7133609","7.58","0.0018","12.603","0.003","19.172","0.005","90","","92.335","0.007","90","","1830","0.8","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H68 Br8 N12 S4 Zn4 -","- C60 H68 Br8 N12 S4 Zn4 -","- C60 H68 Br8 N12 S4 Zn4 -","1","0.25","","Samanta, Arup; Chaubey, Amit; Pal, Debjyoti; Majhi, Krishna; Srimani, Dipankar","Redox-enabled cooperative catalysis by activating secondary alcohols using low-valent Zn complexes.","Chemical communications (Cambridge, England)","2024","60","75","10398","10401","10.1039/d4cc03407d","","","0.71073","MoKα","","0.0792","0.0424","","","0.1134","0.1539","","","","","","1.023","","","","has coordinates","295125","2024-10-06","05:47:40",""
"7133610","7.696","0.0006","7.9855","0.0006","11.6761","0.0008","76.839","0.002","84.112","0.002","81.127","0.002","688.66","0.09","296","2","296","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 Br2 N4 Zn -","- C11 H10 Br2 N4 Zn -","- C22 H20 Br4 N8 Zn2 -","2","1","","Samanta, Arup; Chaubey, Amit; Pal, Debjyoti; Majhi, Krishna; Srimani, Dipankar","Redox-enabled cooperative catalysis by activating secondary alcohols using low-valent Zn complexes.","Chemical communications (Cambridge, England)","2024","60","75","10398","10401","10.1039/d4cc03407d","","","0.71073","MoKα","","0.0233","0.0207","","","0.0528","0.0541","","","","","","1.055","","","","has coordinates","295125","2024-10-06","05:47:40",""
"7133611","11.736","0.004","6.162","0.002","27.346","0.01","90","","92.424","0.011","90","","1975.8","1.2","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 O -","- C22 H34 O -","- C88 H136 O4 -","4","1","","Samanta, Arup; Chaubey, Amit; Pal, Debjyoti; Majhi, Krishna; Srimani, Dipankar","Redox-enabled cooperative catalysis by activating secondary alcohols using low-valent Zn complexes.","Chemical communications (Cambridge, England)","2024","60","75","10398","10401","10.1039/d4cc03407d","","","0.71073","MoKα","","0.1639","0.0792","","","0.1902","0.2566","","","","","","1.162","","","","has coordinates","295125","2024-10-06","05:47:40",""
"7133612","9.8079","0.0005","20.5558","0.0011","22.6273","0.0012","90","","94.844","0.002","90","","4545.6","0.4","298.15","","298.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 Cl N2 O2 -","- C27 H23 Cl N2 O2 -","- C216 H184 Cl8 N16 O16 -","8","2","","Dong, Yujie; Liu, Jun; Ning, Rongjin; Yang, Fazhou; Zhang, Cheng; Guo, Hongchao","Pd-catalyzed sequential intramolecular annulation/intermolecular [3+2] cycloaddition of 5-allenyloxazolidine-2,4-diones with dipoles: synthesis of spiroheterocycles.","Chemical communications (Cambridge, England)","2024","60","76","10516","10519","10.1039/d4cc03551h","","","0.71073","MoKα","","0.0703","0.0501","","","0.1301","0.1423","","","","","","1.055","","","","has coordinates","295121","2024-10-06","05:37:44",""
"7133613","9.2073","0.0003","14.43","0.0005","18.0454","0.0005","76.612","0.002","83.712","0.002","82.66","0.002","2305.31","0.13","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H23.5 Cl N2 O3.25 -","- C27 H23.5 Cl N2 O3.25 -","- C108 H94 Cl4 N8 O13 -","4","2","","Dong, Yujie; Liu, Jun; Ning, Rongjin; Yang, Fazhou; Zhang, Cheng; Guo, Hongchao","Pd-catalyzed sequential intramolecular annulation/intermolecular [3+2] cycloaddition of 5-allenyloxazolidine-2,4-diones with dipoles: synthesis of spiroheterocycles.","Chemical communications (Cambridge, England)","2024","60","76","10516","10519","10.1039/d4cc03551h","","","1.54178","CuKα","","0.0841","0.0781","","","0.2103","0.221","","","","","","1.065","","","","has coordinates,has disorder","295121","2024-10-06","05:37:52",""
"7133614","11.1281","0.0002","17.8377","0.0002","13.675","0.0002","90","","102.387","0.001","90","","2651.29","0.07","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H26 Cl N3 O2 -","- C33 H26 Cl N3 O2 -","- C132 H104 Cl4 N12 O8 -","4","1","","Dong, Yujie; Liu, Jun; Ning, Rongjin; Yang, Fazhou; Zhang, Cheng; Guo, Hongchao","Pd-catalyzed sequential intramolecular annulation/intermolecular [3+2] cycloaddition of 5-allenyloxazolidine-2,4-diones with dipoles: synthesis of spiroheterocycles.","Chemical communications (Cambridge, England)","2024","60","76","10516","10519","10.1039/d4cc03551h","","x-ray","1.54184","CuKα","","0.0455","0.041","","","0.0916","0.0951","","","","","","1.0494","","","","has coordinates","295121","2024-10-06","05:37:52",""
"7133615","11.3592","0.0003","8.7279","0.0002","21.5003","0.0005","90","","93.109","0.001","90","","2128.44","0.09","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N O2 -","- C25 H27 N O2 -","- C100 H108 N4 O8 -","4","1","","Ye, Youwan; Zhang, Xin; Kong, Peng; Yuan, Yong; Zhao, Xiaolong; Huo, Congde","Radical-polar crossover reaction of glycine derivatives.","Chemical communications (Cambridge, England)","2024","60","75","10378","10381","10.1039/d4cc02939a","","","0.71073","MoKα","","0.0502","0.048","","","0.1244","0.1265","","","","","","1.037","","","","has coordinates","295129","2024-10-06","05:51:59",""
"7133616","8.2223","0.0003","10.3432","0.0005","11.023","0.0006","93.878","0.002","97.956","0.002","110.091","0.004","865.22","0.07","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Cl I O4 -","- C16 H16 Cl I O4 -","- C32 H32 Cl2 I2 O8 -","2","1","","Zhu, Shaoqun; Jia, Lizi; Cheng, Qi; Han, Ying; Sun, Qiu; Yu, Huaguang; Chen, Xiaoyun; Hou, Hong","Dispersion-induced cooperative hydrogen atom transfer for radical iodoalkylation.","Chemical communications (Cambridge, England)","2024","60","77","10772","10775","10.1039/d4cc03908d","","","0.71073","MoKα","","0.0524","0.0373","","","0.0898","0.0982","","","","","","1.019","","","","has coordinates","295111","2024-10-06","05:21:24",""
"7133617","9.44889","0.00008","17.36119","0.00016","12.52981","0.00012","90","","97.9313","0.0008","90","","2035.78","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H60 N4 Y2 -","- C46 H60 N4 Y2 -","- C92 H120 N8 Y4 -","2","0.5","","Delano, 4th, Francis; Demir, Selvan","Implementation of 2,2'-azobispyridine radical mono- and dianions in dinuclear rare earth metal complexes.","Chemical communications (Cambridge, England)","2024","60","82","11702","11705","10.1039/d4cc03222e","","x-ray","1.54184","CuKα","","0.0432","0.0422","","","0.1101","0.1109","","","","","","1.062","","","","has coordinates","296334","2024-12-06","15:37:16",""
"7133618","13.24606","0.00013","25.0683","0.0002","21.28315","0.00017","90","","91.9119","0.0008","90","","7063.27","0.11","100","0.2","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C81.5 H94 B Cl2 N4 Y2 -","- C81.5 H94 B Cl2 N4 Y2 -","- C326 H376 B4 Cl8 N16 Y8 -","4","1","","Delano, 4th, Francis; Demir, Selvan","Implementation of 2,2'-azobispyridine radical mono- and dianions in dinuclear rare earth metal complexes.","Chemical communications (Cambridge, England)","2024","60","82","11702","11705","10.1039/d4cc03222e","","","1.54184","CuKα","","0.0631","0.0546","","","0.1473","0.1539","","","","","","1.035","","","","has coordinates,has disorder","296334","2024-12-06","15:37:17",""
"7133619","11.8426","0.0009","14.2179","0.0011","24.756","0.002","90","","98.899","0.003","90","","4118.2","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 Cl Eu3 N4 O25 -","- C29 H26 Cl Eu3 N4 O25 -","- C116 H104 Cl4 Eu12 N16 O100 -","4","1","","Gao, Yifan; Gu, Zhizhuo; Sun, Xiaoling; Pang, Jiaying; Gong, Liaokuo; Xia, Lian; Qu, Fengli","Dimensional regulation of lanthanide metal-organic frameworks and their application in bacterial detection.","Chemical communications (Cambridge, England)","2024","60","77","10684","10687","10.1039/d4cc02991g","","","0.71073","MoKα","","0.0608","0.0339","","","0.0607","0.0672","","","","","","1.018","","","","has coordinates,has disorder","295107","2024-10-06","05:16:46",""
"7133620","19.3748","0.0003","14.5735","0.0002","16.486","0.0002","90","","115.758","0.001","90","","4192.44","0.11","120","2","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H44 Cl6 N8 O6 -","- C38 H44 Cl6 N8 O6 -","- C152 H176 Cl24 N32 O24 -","4","0.5","","Alimi, Lukman O.; Liu, Xin; Zhang, Gengwu; Moosa, Basem; Khashab, Niveen M.","Polar organic cages for efficiently separating azeotropic mixtures.","Chemical communications (Cambridge, England)","2024","60","77","10768","10771","10.1039/d4cc03520h","","","1.54178","CuKα","","0.056","0.0406","","","0.1014","0.1099","","","","","","1.024","","","","has coordinates","295108","2024-10-06","05:18:02",""
"7133621","13.658","0.003","9.8012","0.0018","30.782","0.005","90","","99.251","0.012","90","","4067","1.3","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H50 N8 O6 -","- C43 H50 N8 O6 -","- C172 H200 N32 O24 -","4","1","","Alimi, Lukman O.; Liu, Xin; Zhang, Gengwu; Moosa, Basem; Khashab, Niveen M.","Polar organic cages for efficiently separating azeotropic mixtures.","Chemical communications (Cambridge, England)","2024","60","77","10768","10771","10.1039/d4cc03520h","","","1.54178","CuKα","","0.1237","0.0547","","","0.1395","0.1873","","","","","","0.997","","","","has coordinates","295108","2024-10-06","05:18:07",""
"7133622","13.685","0.004","16.419","0.004","15.856","0.004","90","","102.268","0.008","90","","3481.4","1.6","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 N8 O6 -","- C36 H42 N8 O6 -","- C144 H168 N32 O24 -","4","1","","Alimi, Lukman O.; Liu, Xin; Zhang, Gengwu; Moosa, Basem; Khashab, Niveen M.","Polar organic cages for efficiently separating azeotropic mixtures.","Chemical communications (Cambridge, England)","2024","60","77","10768","10771","10.1039/d4cc03520h","","","1.34139","GaKα","","0.0567","0.0447","","","0.1212","0.1269","","","","","","1.076","","","","has coordinates","295108","2024-10-06","05:18:07",""
"7133623","13.5377","0.0007","9.7771","0.0005","30.4812","0.0015","90","","99.479","0.002","90","","3979.4","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H50 N8 O6 -","- C43 H50 N8 O6 -","- C172 H200 N32 O24 -","4","1","","Alimi, Lukman O.; Liu, Xin; Zhang, Gengwu; Moosa, Basem; Khashab, Niveen M.","Polar organic cages for efficiently separating azeotropic mixtures.","Chemical communications (Cambridge, England)","2024","60","77","10768","10771","10.1039/d4cc03520h","","","1.54178","CuKα","","0.0363","0.0343","","","0.0861","0.0875","","","","","","1.036","","","","has coordinates","295108","2024-10-06","05:18:07",""
"7133624","16.3524","0.0005","14.335","0.0004","18.8597","0.0005","90","","113.765","0.002","90","","4046.1","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H46 Cl4 N8 O6 -","- C38 H46 Cl4 N8 O6 -","- C152 H184 Cl16 N32 O24 -","4","1","","Alimi, Lukman O.; Liu, Xin; Zhang, Gengwu; Moosa, Basem; Khashab, Niveen M.","Polar organic cages for efficiently separating azeotropic mixtures.","Chemical communications (Cambridge, England)","2024","60","77","10768","10771","10.1039/d4cc03520h","","","1.54184","CuKα","","0.0663","0.051","","","0.136","0.1479","","","","","","1.025","","","","has coordinates","295108","2024-10-06","05:18:07",""
"7133625","9.5854","0.0007","17.6825","0.0013","21.0981","0.0014","90","","90","","90","","3576","0.4","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H16 N2 O -","- C23 H16 N2 O -","- C184 H128 N16 O8 -","8","1","","Navaneetha, N.; Munakala, Anandarao; Chegondi, Rambabu","Ag(I)-catalyzed diastereoselective oxidative cyclopropanation of prochiral alkyne-tethered 1,3-dicarbonitriles.","Chemical communications (Cambridge, England)","2024","60","77","10708","10711","10.1039/d4cc03697b","","","0.71073","MoKα","","0.0909","0.0491","","","0.1273","0.1586","","","","","","1.019","","","","has coordinates","295112","2024-10-06","05:22:12",""
"7133626","11.325","0.003","12.058","0.004","10.19","0.004","90","","110.437","0.012","90","","1303.9","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H15 B Fe N2 -","- C16 H15 B Fe N2 -","- C64 H60 B4 Fe4 N8 -","4","0.5","","Schneider, Johannes S.; Helten, Holger","Hybrid materials comprising ferrocene and diaminoborane moieties: linear concatenation <i>versus</i> macrocyclization.","Chemical communications (Cambridge, England)","2024","60","82","11706","11709","10.1039/d4cc03813d","","","0.71073","MoKα","","0.0289","0.0277","","","0.0707","0.0714","","","","","","1.134","","","","has coordinates","296335","2024-12-06","15:37:37",""
"7133627","11.157","0.005","17.255","0.006","17.651","0.008","90","","104.88","0.03","90","","3284","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 B Fe N2 -","- C19 H21 B Fe N2 -","- C152 H168 B8 Fe8 N16 -","8","2","","Schneider, Johannes S.; Helten, Holger","Hybrid materials comprising ferrocene and diaminoborane moieties: linear concatenation <i>versus</i> macrocyclization.","Chemical communications (Cambridge, England)","2024","60","82","11706","11709","10.1039/d4cc03813d","","","0.71073","MoKα","","0.0735","0.0454","","","0.0993","0.1125","","","","","","1.027","","","","has coordinates","296335","2024-12-06","15:37:37",""
"7133628","8.9103","0.0019","11.73","0.003","12.368","0.004","65.001","0.013","71.807","0.016","78.23","0.03","1109.1","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H66 B2 Fe2 N4 -","- C50 H66 B2 Fe2 N4 -","- C50 H66 B2 Fe2 N4 -","1","0.5","","Schneider, Johannes S.; Helten, Holger","Hybrid materials comprising ferrocene and diaminoborane moieties: linear concatenation <i>versus</i> macrocyclization.","Chemical communications (Cambridge, England)","2024","60","82","11706","11709","10.1039/d4cc03813d","","","0.71073","MoKα","","0.0525","0.042","","","0.0966","0.1024","","","","","","1.056","","","","has coordinates,has disorder","296335","2024-12-06","15:37:37",""
"7133629","11.278","0.002","11.1383","0.0015","19.453","0.006","90","","95.18","0.012","90","","2433.7","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H31 B Fe2 N2 -","- C29 H31 B Fe2 N2 -","- C116 H124 B4 Fe8 N8 -","4","1","","Schneider, Johannes S.; Helten, Holger","Hybrid materials comprising ferrocene and diaminoborane moieties: linear concatenation <i>versus</i> macrocyclization.","Chemical communications (Cambridge, England)","2024","60","82","11706","11709","10.1039/d4cc03813d","","","0.71073","MoKα","","0.0353","0.0306","","","0.0787","0.082","","","","","","1.035","","","","has coordinates","296335","2024-12-06","15:37:37",""
"7133630","13.2032","0.001","16.3569","0.0013","14.4981","0.0011","90","","93.013","0.002","90","","3126.7","0.4","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 N2 O2 -","- C38 H44 N3 O -","- C152 H176 N12 O4 -","4","1","","Zhang, Yi; Yan, Huihui; Zhao, Peng; Chen, Rener; Fang, Weiwei; Wang, Lei; Ma, Yongmin","Eco-friendly α,β-C(sp<sup>3</sup>)-H difunctionalization of tertiary amines <i>via</i> sequential [1,5]-hydride transfer and hetero-Diels-Alder cyclization.","Chemical communications (Cambridge, England)","2024","60","77","10712","10715","10.1039/d4cc02858a","","","0.71073","MoKα","","0.1232","0.0674","","","0.188","0.2326","","","","","","1.041","","","","has coordinates","295109","2024-10-06","05:18:54",""
"7133631","9.5701","0.0005","12.7196","0.0008","14.9523","0.0009","105.788","0.002","92.153","0.002","109.699","0.002","1632.07","0.17","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H45 N3 O2 -","- C39 H45 N3 O2 -","- C78 H90 N6 O4 -","2","1","","Zhang, Yi; Yan, Huihui; Zhao, Peng; Chen, Rener; Fang, Weiwei; Wang, Lei; Ma, Yongmin","Eco-friendly α,β-C(sp<sup>3</sup>)-H difunctionalization of tertiary amines <i>via</i> sequential [1,5]-hydride transfer and hetero-Diels-Alder cyclization.","Chemical communications (Cambridge, England)","2024","60","77","10712","10715","10.1039/d4cc02858a","","","0.71073","MoKα","","0.0943","0.0547","","","0.1314","0.1655","","","","","","1.033","","","","has coordinates","295109","2024-10-06","05:19:04",""
"7133632","8.3251","0.0007","19.6723","0.0016","10.628","0.0011","90","","104.751","0.01","90","","1683.2","0.3","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 O -","- C20 H18 N2 O -","- C80 H72 N8 O4 -","4","1","","Dash, Om Prakash; Garg, Divya; Volla, Chandra M. R.","Rh(III)-catalyzed aldehydic and aryl C-H alkylation with cyclopropanols <i>via</i> C-H/C-C bond activation.","Chemical communications (Cambridge, England)","2024","60","76","10576","10579","10.1039/d4cc03797a","","x-ray","0.71073","MoKα","","0.1037","0.0689","","","0.1823","0.2143","","","","","","1.054","","","","has coordinates","295118","2024-10-06","05:33:28",""
"7133633","9.7427","0.0006","20.8546","0.0007","10.5793","0.0006","90","","114.951","0.007","90","","1948.9","0.2","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N O3 S -","- C23 H19 N O3 S -","- C92 H76 N4 O12 S4 -","4","1","","Dash, Om Prakash; Garg, Divya; Volla, Chandra M. R.","Rh(III)-catalyzed aldehydic and aryl C-H alkylation with cyclopropanols <i>via</i> C-H/C-C bond activation.","Chemical communications (Cambridge, England)","2024","60","76","10576","10579","10.1039/d4cc03797a","","x-ray","0.71073","MoKα","","0.0731","0.0573","","","0.1482","0.1667","","","","","","1.046","","","","has coordinates","295118","2024-10-06","05:33:35",""
"7133634","21.0724","0.0016","8.3789","0.0004","11.4598","0.0007","90","","101.066","0.006","90","","1985.8","0.2","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 F N O4 S -","- C23 H20 F N O4 S -","- C92 H80 F4 N4 O16 S4 -","4","1","","Dash, Om Prakash; Garg, Divya; Volla, Chandra M. R.","Rh(III)-catalyzed aldehydic and aryl C-H alkylation with cyclopropanols <i>via</i> C-H/C-C bond activation.","Chemical communications (Cambridge, England)","2024","60","76","10576","10579","10.1039/d4cc03797a","","x-ray","0.71073","MoKα","","0.089","0.0556","","","0.1281","0.1475","","","","","","1.042","","","","has coordinates","295118","2024-10-06","05:33:36",""
"7133635","11.3051","0.0003","6.2777","0.0002","16.4774","0.0004","90","","97.201","0.001","90","","1160.18","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H32 O6 Se -","- C25 H32 O6 Se -","- C50 H64 O12 Se2 -","2","1","","Geng, Hao; Fu, Ran; Zhou, Ting-Ting; Li, Man; Liu, Yan-Chun; Li, Xiao-Nian; Liu, Yan; Zheng, Yu; Li, Sheng-Hong","Selenium dioxide promoted selenylation/cyclization of leucosceptrane sesterterpenoids.","Chemical communications (Cambridge, England)","2024","60","76","10512","10515","10.1039/d4cc03674c","","","1.54178","CuKα","","0.0404","0.0398","","","0.1087","0.1094","","","","","","1.05","","","","has coordinates","295117","2024-10-06","05:31:57",""
"7133636","6.4438","0.0002","9.1435","0.0002","40.8405","0.0011","90","","90","","90","","2406.28","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 O7 Se -","- C25 H32 O7 Se -","- C100 H128 O28 Se4 -","4","1","","Geng, Hao; Fu, Ran; Zhou, Ting-Ting; Li, Man; Liu, Yan-Chun; Li, Xiao-Nian; Liu, Yan; Zheng, Yu; Li, Sheng-Hong","Selenium dioxide promoted selenylation/cyclization of leucosceptrane sesterterpenoids.","Chemical communications (Cambridge, England)","2024","60","76","10512","10515","10.1039/d4cc03674c","","","1.54178","CuKα","","0.0191","0.019","","","0.0514","0.0515","","","","","","1.075","","","","has coordinates","295117","2024-10-06","05:32:13",""
"7133637","26.5441","0.0012","26.5441","0.0012","37.881","0.002","90","","90","","90","","26691","2","150","","150","","","","","","","","","5","I 4/m","-I 4","87","","","","- C27 H64 Cu3 N6 O38 -","- C27 H64 Cu3 N6 O38 -","- C432 H1024 Cu48 N96 O608 -","16","1","","Wang, Yi-Chao; Chen, Mo-Han; Fan, Zi-Wen; Wang, Yue; Huang, Cai-Xiang; Wang, Hui-Fang; Lang, Jian-Ping; Niu, Zheng","Enhanced water stability of MOFs <i>via</i> multiple hydrogen bonds and their application in water harvesting.","Chemical communications (Cambridge, England)","2024","60","77","10692","10695","10.1039/d4cc03654a","","","0.71073","MoKα","","0.076","0.0598","","","0.1744","0.1887","","","","","","1.077","","","","has coordinates,has disorder","295110","2024-10-06","05:20:41",""
"7133638","26.5844","0.0017","26.5844","0.0017","38.103","0.004","90","","90","","90","","26929","4","150","","150","","","","","","","","","5","I 4/m","-I 4","87","","","","- C27 H14 Cu3 N6 O13 -","- C27 H14 Cu3 N6 O13 -","- C432 H224 Cu48 N96 O208 -","16","1","","Wang, Yi-Chao; Chen, Mo-Han; Fan, Zi-Wen; Wang, Yue; Huang, Cai-Xiang; Wang, Hui-Fang; Lang, Jian-Ping; Niu, Zheng","Enhanced water stability of MOFs <i>via</i> multiple hydrogen bonds and their application in water harvesting.","Chemical communications (Cambridge, England)","2024","60","77","10692","10695","10.1039/d4cc03654a","","","0.71073","MoKα","","0.0519","0.0423","","","0.1194","0.1252","","","","","","1.053","","","","has coordinates","295110","2024-10-06","05:20:45",""
"7133639","26.7494","0.0006","26.7494","0.0006","38.4189","0.0015","90","","90","","90","","27489.9","1.4","150","","150","","","","","","","","","5","I 4/m","-I 4","87","","","","- C27 H30.41 Cu3 N6 O21.2 -","- C27 H30.41 Cu3 N6 O21.205 -","- C432 H486.56 Cu48 N96 O339.28 -","16","1","","Wang, Yi-Chao; Chen, Mo-Han; Fan, Zi-Wen; Wang, Yue; Huang, Cai-Xiang; Wang, Hui-Fang; Lang, Jian-Ping; Niu, Zheng","Enhanced water stability of MOFs <i>via</i> multiple hydrogen bonds and their application in water harvesting.","Chemical communications (Cambridge, England)","2024","60","77","10692","10695","10.1039/d4cc03654a","","","0.71073","MoKα","","0.0585","0.0473","","","0.1268","0.1353","","","","","","1.057","","","","has coordinates","295110","2024-10-06","05:20:45",""
"7133640","9.18","0.0002","10.45","0.0002","12.42","0.0002","90","","90","","90","","1191.46","0.04","298.15","","298.15","","","","","","","","","6","P n n n :2","-P 2ab 2bc","48","","","","- C24 H20 Cl2 N4 O4 Ru -","- C24 H20 Cl2 N4 O4 Ru -","- C48 H40 Cl4 N8 O8 Ru2 -","2","0.25","","Gearing, Hayden B.; Söhnel, Tilo; Young, Paul; Lisboa, Lynn; Wright, L. James; Crowley, James D.; Hartinger, Christian G.","Modulating the guest binding ability within mixed-coordination geometry [Pd(μ-L)<sub>4</sub>RuCl<sub>2</sub>]<sup>2+</sup> and [Pd(μ-L)<sub>4</sub>Pt]<sup>4+</sup> cage architectures.","Chemical communications (Cambridge, England)","2024","60","78","10950","10953","10.1039/d4cc03613a","","","0.0251","electronbeam","","0.2986","0.1895","","","0.4163","0.5053","","","","","","1.272","","","","has coordinates","295092","2024-10-06","04:56:49",""
"7133641","17.5837","0.0001","17.5837","0.0001","16.0276","0.0002","90","","90","","90","","4955.52","0.07","109.99","0.14","109.99","0.14","","","","","","","","10","P 4/n :2","-P 4a","85","","","","- C74 H62 B4 Cl2 F16 N16 O5 Pd Ru S -","- C74 H62 Cl2 N16 O5 Pd Ru S -","- C148 H124 Cl4 N32 O10 Pd2 Ru2 S2 -","2","0.25","","Gearing, Hayden B.; Söhnel, Tilo; Young, Paul; Lisboa, Lynn; Wright, L. James; Crowley, James D.; Hartinger, Christian G.","Modulating the guest binding ability within mixed-coordination geometry [Pd(μ-L)<sub>4</sub>RuCl<sub>2</sub>]<sup>2+</sup> and [Pd(μ-L)<sub>4</sub>Pt]<sup>4+</sup> cage architectures.","Chemical communications (Cambridge, England)","2024","60","78","10950","10953","10.1039/d4cc03613a","","x-ray","1.54184","CuKα","","0.061","0.0534","","","0.1522","0.1602","","","","","","1.072","","","","has coordinates,has disorder","295092","2024-10-06","04:57:00",""
"7133642","19.89755","0.0002","18.63351","0.00019","23.8075","0.0002","90","","95.0374","0.0009","90","","8792.8","0.15","100","0.2","100","0.2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C80 H80 B4 F16 N16 O8 Pd Pt S4 -","- C80 H80 B4 F16 N16 O8 Pd Pt S4 -","- C320 H320 B16 F64 N64 O32 Pd4 Pt4 S16 -","4","1","","Gearing, Hayden B.; Söhnel, Tilo; Young, Paul; Lisboa, Lynn; Wright, L. James; Crowley, James D.; Hartinger, Christian G.","Modulating the guest binding ability within mixed-coordination geometry [Pd(μ-L)<sub>4</sub>RuCl<sub>2</sub>]<sup>2+</sup> and [Pd(μ-L)<sub>4</sub>Pt]<sup>4+</sup> cage architectures.","Chemical communications (Cambridge, England)","2024","60","78","10950","10953","10.1039/d4cc03613a","","x-ray","1.54184","CuKα","","0.0442","0.0372","","","0.0943","0.0987","","","","","","1.018","","","","has coordinates,has disorder","295092","2024-10-06","04:57:00",""
"7133643","15.85","0.0002","15.85","0.0002","17.74","0.0002","90","","90","","90","","4456.69","0.09","298","","298","","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C72 H58 B4 F16 N16 O5 Pd Pt -","- C72 H56 N16 O4 Pd Pt -","- C144 H112 N32 O8 Pd2 Pt2 -","2","0.25","","Gearing, Hayden B.; Söhnel, Tilo; Young, Paul; Lisboa, Lynn; Wright, L. James; Crowley, James D.; Hartinger, Christian G.","Modulating the guest binding ability within mixed-coordination geometry [Pd(μ-L)<sub>4</sub>RuCl<sub>2</sub>]<sup>2+</sup> and [Pd(μ-L)<sub>4</sub>Pt]<sup>4+</sup> cage architectures.","Chemical communications (Cambridge, England)","2024","60","78","10950","10953","10.1039/d4cc03613a","","","0.0251","electron","","0.2675","0.2183","","","0.498","0.5185","","","","","","1.852","","","","has coordinates","295092","2024-10-06","04:57:00",""
"7133644","18.90303","0.00005","18.90303","0.00005","32.3879","0.00013","90","","90","","90","","11573","0.06","100","0.1","100","0.1","","","","","","","","9","P 4/n c c :2","-P 4a 2ac","130","","","","- C100 H112 B4 Cl2 F16 N20 O16 Pd Ru -","- C100 H112 Cl2 N20 O16 Pd Ru -","- C400 H448 Cl8 N80 O64 Pd4 Ru4 -","4","0.25","","Gearing, Hayden B.; Söhnel, Tilo; Young, Paul; Lisboa, Lynn; Wright, L. James; Crowley, James D.; Hartinger, Christian G.","Modulating the guest binding ability within mixed-coordination geometry [Pd(μ-L)<sub>4</sub>RuCl<sub>2</sub>]<sup>2+</sup> and [Pd(μ-L)<sub>4</sub>Pt]<sup>4+</sup> cage architectures.","Chemical communications (Cambridge, England)","2024","60","78","10950","10953","10.1039/d4cc03613a","","x-ray","1.54184","CuKα","","0.0473","0.0465","","","0.1379","0.1388","","","","","","1.0677","","","","has coordinates,has disorder","295092","2024-10-06","04:57:00",""
"7133645","12.4586","0.0004","13.0885","0.0004","17.1275","0.0006","95.5876","0.0014","95.5032","0.0014","115.773","0.0012","2473.14","0.14","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H71 Ge K N2 O6 Si3 -","- C39 H71 Ge K N2 O6 Si3 -","- C78 H142 Ge2 K2 N4 O12 Si6 -","2","1","","Liu, Chenghuan; Schmidtmann, Marc; Müller, Thomas","Metal ion-driven formation of 2<i>H</i>-silolides and -germolides.","Chemical communications (Cambridge, England)","2024","60","80","11295","11298","10.1039/d4cc03984j","","","0.71073","MoKα","","0.0494","0.0376","","","0.0984","0.1075","","","","","","1.069","","","","has coordinates","295151","2024-10-06","06:23:26",""
"7133646","10.2492","0.0005","13.0948","0.0007","23.2301","0.0013","103.325","0.002","91.573","0.002","93.515","0.002","3025.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C57.67 H93 K N2 O4.66 Si4 -","- C57.726 H93.178 K N2 O4.637 Si4 -","- C115.452 H186.356 K2 N4 O9.274 Si8 -","2","1","","Liu, Chenghuan; Schmidtmann, Marc; Müller, Thomas","Metal ion-driven formation of 2<i>H</i>-silolides and -germolides.","Chemical communications (Cambridge, England)","2024","60","80","11295","11298","10.1039/d4cc03984j","","","0.71073","MoKα","","0.0737","0.0641","","","0.1607","0.1672","","","","","","1.122","","","","has coordinates,has disorder","295151","2024-10-06","06:23:26",""
"7133647","14.1025","0.0013","17.5632","0.0017","15.1034","0.0015","90","","101.596","0.003","90","","3664.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H102 Cu2 N4 Si8 -","- C74 H102 Cu2 N4 Si8 -","- C148 H204 Cu4 N8 Si16 -","2","0.5","","Liu, Chenghuan; Schmidtmann, Marc; Müller, Thomas","Metal ion-driven formation of 2<i>H</i>-silolides and -germolides.","Chemical communications (Cambridge, England)","2024","60","80","11295","11298","10.1039/d4cc03984j","","","0.71073","MoKα","","0.0309","0.0253","","","0.068","0.071","","","","","","1.003","","","","has coordinates","295151","2024-10-06","06:23:26",""
"7133648","14.3502","0.0006","29.6584","0.0012","31.1403","0.0012","64.5446","0.0016","87.8632","0.0017","80.4353","0.0017","11791.8","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H87.5 K N2 O7.25 Si4 -","- C54 H87.5 K N2 O7.25 Si4 -","- C432 H700 K8 N16 O58 Si32 -","8","4","","Liu, Chenghuan; Schmidtmann, Marc; Müller, Thomas","Metal ion-driven formation of 2<i>H</i>-silolides and -germolides.","Chemical communications (Cambridge, England)","2024","60","80","11295","11298","10.1039/d4cc03984j","","","0.71073","MoKα","","0.0781","0.0618","","","0.1443","0.1524","","","","","","1.098","","","","has coordinates,has disorder","295151","2024-10-06","06:23:26",""
"7133649","21.6369","0.0008","11.8608","0.0004","22.6135","0.0009","90","","103.475","0.0014","90","","5643.6","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H75 K N2 O6 Si4 Te2 -","- C49 H75 K N2 O6 Si4 Te2 -","- C196 H300 K4 N8 O24 Si16 Te8 -","4","1","","Liu, Chenghuan; Schmidtmann, Marc; Müller, Thomas","Metal ion-driven formation of 2<i>H</i>-silolides and -germolides.","Chemical communications (Cambridge, England)","2024","60","80","11295","11298","10.1039/d4cc03984j","","","0.71073","MoKα","","0.0334","0.0287","","","0.062","0.0643","","","","","","1.048","","","","has coordinates,has disorder","295151","2024-10-06","06:23:26",""
"7133650","13.9468","0.0002","12.3892","0.0001","16.6087","0.0002","90","","110.401","0.001","90","","2689.81","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 N8 O6 -","- C29 H22 N8 O6 -","- C116 H88 N32 O24 -","4","1","","Juneja, Navkiran; Hastings, Josephine L.; Stoll, William B.; Brennessel, William W.; Zarrella, Salvatore; Sornberger, Parker; Catalano, Luca; Korter, Timothy M.; Ruggiero, Michael T.","Fundamentally intertwined: anharmonic intermolecular interactions dictate both thermal expansion and terahertz lattice dynamics in molecular crystals.","Chemical communications (Cambridge, England)","2024","60","84","12169","12172","10.1039/d4cc03307h","","x-ray","1.54184","CuKα","","0.0521","0.0494","","","0.142","0.1447","","","","","","1.063","","","","has coordinates","296320","2024-12-06","15:30:01",""
"7133651","14.0001","0.0001","12.386","0.0001","16.6263","0.0002","90","","110.087","0.001","90","","2707.72","0.05","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 N8 O6 -","- C29 H22 N8 O6 -","- C116 H88 N32 O24 -","4","1","","Juneja, Navkiran; Hastings, Josephine L.; Stoll, William B.; Brennessel, William W.; Zarrella, Salvatore; Sornberger, Parker; Catalano, Luca; Korter, Timothy M.; Ruggiero, Michael T.","Fundamentally intertwined: anharmonic intermolecular interactions dictate both thermal expansion and terahertz lattice dynamics in molecular crystals.","Chemical communications (Cambridge, England)","2024","60","84","12169","12172","10.1039/d4cc03307h","","x-ray","1.54184","CuKα","","0.0469","0.0442","","","0.1247","0.1271","","","","","","1.042","","","","has coordinates","296320","2024-12-06","15:30:03",""
"7133652","13.9761","0.0001","12.3862","0.0001","16.6209","0.0002","90","","110.219","0.001","90","","2699.96","0.05","130.01","0.1","130.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 N8 O6 -","- C29 H22 N8 O6 -","- C116 H88 N32 O24 -","4","1","","Juneja, Navkiran; Hastings, Josephine L.; Stoll, William B.; Brennessel, William W.; Zarrella, Salvatore; Sornberger, Parker; Catalano, Luca; Korter, Timothy M.; Ruggiero, Michael T.","Fundamentally intertwined: anharmonic intermolecular interactions dictate both thermal expansion and terahertz lattice dynamics in molecular crystals.","Chemical communications (Cambridge, England)","2024","60","84","12169","12172","10.1039/d4cc03307h","","x-ray","1.54184","CuKα","","0.0488","0.0461","","","0.1303","0.1329","","","","","","1.044","","","","has coordinates","296320","2024-12-06","15:30:03",""
"7133653","13.9549","0.0002","12.3882","0.0001","16.6141","0.0002","90","","110.344","0.001","90","","2693.02","0.06","110.02","0.1","110.02","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 N8 O6 -","- C29 H22 N8 O6 -","- C116 H88 N32 O24 -","4","1","","Juneja, Navkiran; Hastings, Josephine L.; Stoll, William B.; Brennessel, William W.; Zarrella, Salvatore; Sornberger, Parker; Catalano, Luca; Korter, Timothy M.; Ruggiero, Michael T.","Fundamentally intertwined: anharmonic intermolecular interactions dictate both thermal expansion and terahertz lattice dynamics in molecular crystals.","Chemical communications (Cambridge, England)","2024","60","84","12169","12172","10.1039/d4cc03307h","","x-ray","1.54184","CuKα","","0.0515","0.049","","","0.1376","0.1402","","","","","","1.047","","","","has coordinates","296320","2024-12-06","15:30:03",""
"7133654","14.0295","0.0001","12.3839","0.0001","16.6344","0.0002","90","","109.943","0.001","90","","2716.75","0.05","170","0.1","170","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 N8 O6 -","- C29 H22 N8 O6 -","- C116 H88 N32 O24 -","4","1","","Juneja, Navkiran; Hastings, Josephine L.; Stoll, William B.; Brennessel, William W.; Zarrella, Salvatore; Sornberger, Parker; Catalano, Luca; Korter, Timothy M.; Ruggiero, Michael T.","Fundamentally intertwined: anharmonic intermolecular interactions dictate both thermal expansion and terahertz lattice dynamics in molecular crystals.","Chemical communications (Cambridge, England)","2024","60","84","12169","12172","10.1039/d4cc03307h","","x-ray","1.54184","CuKα","","0.045","0.0423","","","0.121","0.1234","","","","","","1.049","","","","has coordinates,has disorder","296320","2024-12-06","15:30:03",""
"7133655","11.6135","0.0004","5.8166","0.0002","16.6086","0.0005","90","","92.064","0.001","90","","1121.2","0.06","296.15","","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Manoj","","- C26 H28 O8 -","- C26 H28 O8 -","- C52 H56 O16 -","2","0.5","","Kumar, Manoj; Singh, Shubham; Subramanian, Parthasarathi","Synthesis of dispiro-orthoester <i>via</i> an acetal oxo-carbenium ion.","Chemical communications (Cambridge, England)","2024","60","88","12860","12863","10.1039/d4cc03031a","","","0.71073","MoKα","","0.0443","0.0378","","","0.0945","0.0988","","","","","","1.05","","","","has coordinates","296288","2024-12-06","15:15:31",""
"7133656","34.482","0.0015","5.8066","0.0003","10.1971","0.0005","90","","102.891","0.002","90","","1990.24","0.17","296.15","","296.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Manoj","","- C2.3 H2.4 O0.8 -","- C2.3 H2.4 O0.8 -","- C92 H96 O32 -","40","5","","Kumar, Manoj; Singh, Shubham; Subramanian, Parthasarathi","Synthesis of dispiro-orthoester <i>via</i> an acetal oxo-carbenium ion.","Chemical communications (Cambridge, England)","2024","60","88","12860","12863","10.1039/d4cc03031a","","","0.71073","MoKα","","0.044","0.0382","","","0.0946","0.0986","","","","","","1.051","","","","has coordinates","296288","2024-12-06","15:15:33",""
"7133657","11.166","0.0003","10.3032","0.0003","13.023","0.0003","90","","96.244","0.001","90","","1489.35","0.07","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,3-bis(bromomethyl)-1,5,7-trioxadispiro[5.1.58.26]pentadeca-9,12-dien-11-one","","- C1.87 H2.13 Br0.27 O0.53 -","- C1.86667 H2.13333 Br0.266667 O0.533333 -","- C56 H64 Br8 O16 -","30","7.5","","Kumar, Manoj; Singh, Shubham; Subramanian, Parthasarathi","Synthesis of dispiro-orthoester <i>via</i> an acetal oxo-carbenium ion.","Chemical communications (Cambridge, England)","2024","60","88","12860","12863","10.1039/d4cc03031a","","","0.71073","MoKα","","0.0222","0.0194","","","0.0434","0.0443","","","","","","1.027","","","","has coordinates","296288","2024-12-06","15:15:35",""
"7133658","6.6173","0.0001","18.0893","0.0004","10.03","0.0002","90","","92.58","0.001","90","","1199.4","0.04","296.15","","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","7,9,14-trioxadispiro[5.1.68.36]heptadeca-1,4,11-trien-3-one","","- C2.33 H2.67 O0.67 -","- C2.33333 H2.66667 O0.666667 -","- C56 H64 O16 -","24","6","","Kumar, Manoj; Singh, Shubham; Subramanian, Parthasarathi","Synthesis of dispiro-orthoester <i>via</i> an acetal oxo-carbenium ion.","Chemical communications (Cambridge, England)","2024","60","88","12860","12863","10.1039/d4cc03031a","","","0.71073","MoKα","","0.0398","0.0369","","","0.0989","0.1005","","","","","","1.037","","","","has coordinates","296288","2024-12-06","15:15:45",""
"7133659","27.5396","0.0008","5.7677","0.0001","20.9082","0.0006","90","","129.818","0.002","90","","2550.85","0.14","296.15","","296.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3,3-dimethyl-1,5,7-trioxadispiro[5.1.58.26]pentadeca-9,12,14-trien-11-one","","- C28 H32 O8 -","- C28 H32 O8 -","- C112 H128 O32 -","4","0.5","","Kumar, Manoj; Singh, Shubham; Subramanian, Parthasarathi","Synthesis of dispiro-orthoester <i>via</i> an acetal oxo-carbenium ion.","Chemical communications (Cambridge, England)","2024","60","88","12860","12863","10.1039/d4cc03031a","","","0.71073","MoKα","","0.0501","0.0396","","","0.0977","0.1036","","","","","","1.029","","","","has coordinates","296288","2024-12-06","15:15:48",""
"7133660","12.0537","0.0003","23.1354","0.0005","20.0755","0.0003","90","","102.929","0.002","90","","5456.5","0.2","172.99","0.1","172.99","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H46 Cl8 P2 Re -","- C54 H42 Cl8 P2 Re -","- C216 H168 Cl32 P8 Re4 -","4","0.5","","Tsang, Long Yiu; Kong, Lam Cheung; Sung, Herman H. Y.; Williams, Ian D.; Jia, Guochen","Oxidation-induced coupling reactions of bi(metallacycloprop-1-ene) complexes.","Chemical communications (Cambridge, England)","2024","60","78","10946","10949","10.1039/d4cc04079a","","x-ray","1.54184","CuKα","","0.0363","0.0325","","","0.0815","0.084","","","","","","1.031","","","","has coordinates,has disorder","295090","2024-10-06","04:52:37",""
"7133661","12.0887","0.0001","24.3009","0.0002","19.8541","0.0001","90","","102.085","0.001","90","","5703.21","0.08","173","0.1","173","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H44 Br4 Cl6 P2 Re -","- C54 H44 Br4 Cl6 P2 Re -","- C216 H176 Br16 Cl24 P8 Re4 -","4","0.5","","Tsang, Long Yiu; Kong, Lam Cheung; Sung, Herman H. Y.; Williams, Ian D.; Jia, Guochen","Oxidation-induced coupling reactions of bi(metallacycloprop-1-ene) complexes.","Chemical communications (Cambridge, England)","2024","60","78","10946","10949","10.1039/d4cc04079a","","x-ray","1.54184","CuKα","","0.0361","0.033","","","0.0866","0.0896","","","","","","1.041","","","","has coordinates,has disorder","295090","2024-10-06","04:52:45",""
"7133662","15.5823","0.0003","22.9599","0.0003","18.0278","0.0003","90","","107.943","0.0017","90","","6136.06","0.19","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H50 Cl4 P2 Re -","- C64 H50 Cl4 P2 Re -","- C256 H200 Cl16 P8 Re4 -","4","1","","Tsang, Long Yiu; Kong, Lam Cheung; Sung, Herman H. Y.; Williams, Ian D.; Jia, Guochen","Oxidation-induced coupling reactions of bi(metallacycloprop-1-ene) complexes.","Chemical communications (Cambridge, England)","2024","60","78","10946","10949","10.1039/d4cc04079a","","x-ray","1.54184","CuKα","","0.0648","0.0443","","","0.1084","0.1167","","","","","","1.002","","","","has coordinates","295090","2024-10-06","04:52:45",""
"7133663","19.6823","0.0007","18.6829","0.0007","24.3283","0.0008","90","","110.713","0.004","90","","8367.8","0.6","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C83 H70 Cl18 N2 P2 Re -","- C76 H56 Cl4 N2 P2 Re -","- C304 H224 Cl16 N8 P8 Re4 -","4","1","","Tsang, Long Yiu; Kong, Lam Cheung; Sung, Herman H. Y.; Williams, Ian D.; Jia, Guochen","Oxidation-induced coupling reactions of bi(metallacycloprop-1-ene) complexes.","Chemical communications (Cambridge, England)","2024","60","78","10946","10949","10.1039/d4cc04079a","","x-ray","1.54184","CuKα","","0.1103","0.0733","","","0.1818","0.2027","","","","","","1.016","","","","has coordinates","295090","2024-10-06","04:52:45",""
"7133664","8.958","0.004","13.864","0.006","9.026","0.004","90","","92.036","0.008","90","","1120.3","0.9","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H22 Br N O5 -","- C25 H22 Br N O5 -","- C50 H44 Br2 N2 O10 -","2","1","","Han, Xiao; Hou, Jie; Zhang, Haiyan; Wang, Zhen; Yao, Weijun","Phosphine-catalyzed enantioselective and diastereodivergent [3+2] cyclization for the construction of oxetane dispirooxindole skeletons.","Chemical communications (Cambridge, England)","2024","60","77","10736","10739","10.1039/d4cc03610g","","","0.71073","MoKα","","0.0553","0.0383","","","0.0826","0.0872","","","","","","0.926","","","","has coordinates","295115","2024-10-06","05:26:41",""
"7133665","7.8531","0.0005","8.9782","0.0006","35.617","0.002","90","","90","","90","","2511.2","0.3","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N O6 -","- C28 H30 N O6 -","- C112 H120 N4 O24 -","4","1","","Han, Xiao; Hou, Jie; Zhang, Haiyan; Wang, Zhen; Yao, Weijun","Phosphine-catalyzed enantioselective and diastereodivergent [3+2] cyclization for the construction of oxetane dispirooxindole skeletons.","Chemical communications (Cambridge, England)","2024","60","77","10736","10739","10.1039/d4cc03610g","","","1.54178","CuKα","","0.0883","0.0852","","","0.2854","0.2937","","","","","","1.188","","","","has coordinates","295115","2024-10-06","05:26:45",""
"7133666","8.9244","0.0003","10.4924","0.0003","13.3388","0.0004","90","","90.992","0.001","90","","1248.84","0.07","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H29 N O6 -","- C28 H29 N O6 -","- C56 H58 N2 O12 -","2","1","","Han, Xiao; Hou, Jie; Zhang, Haiyan; Wang, Zhen; Yao, Weijun","Phosphine-catalyzed enantioselective and diastereodivergent [3+2] cyclization for the construction of oxetane dispirooxindole skeletons.","Chemical communications (Cambridge, England)","2024","60","77","10736","10739","10.1039/d4cc03610g","","","1.54178","CuKα","","0.028","0.0279","","","0.0947","0.0949","","","","","","0.924","","","","has coordinates","295115","2024-10-06","05:26:45",""
"7133667","22.54","0.005","7.2448","0.0014","24.023","0.005","90","","95.29","0.03","90","","3906.2","1.4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C44 H30 Cl6 N2 Ni S2 -","- C44 H30 Cl6 N2 Ni S2 -","- C176 H120 Cl24 N8 Ni4 S8 -","4","1","","Singh, Sandhya; Dinesh, Shruthi; Yadav, Archana; Raje, Sakthi; Butcher, Ray J.; Sundararajan, Mahesh; Angamuthu, Raja","Direct observation of arene⋯sulphur dioxide interaction: role of metal ions in electronic modulation for binding and activation.","Chemical communications (Cambridge, England)","2024","60","79","11104","11107","10.1039/d4cc02329c","","","0.71073","MoKα","","0.0791","0.0634","","","0.1531","0.1642","","","","","","1.061","","","","has coordinates,has disorder","295139","2024-10-06","06:04:43",""
"7133668","11.5194","0.0008","14.7126","0.0009","24.0486","0.0015","90","","96.677","0.002","90","","4048.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H30 Cl6 N2 S2 Zn -","- C44 H30 Cl6 N2 S2 Zn -","- C176 H120 Cl24 N8 S8 Zn4 -","4","1","","Singh, Sandhya; Dinesh, Shruthi; Yadav, Archana; Raje, Sakthi; Butcher, Ray J.; Sundararajan, Mahesh; Angamuthu, Raja","Direct observation of arene⋯sulphur dioxide interaction: role of metal ions in electronic modulation for binding and activation.","Chemical communications (Cambridge, England)","2024","60","79","11104","11107","10.1039/d4cc02329c","","","0.71073","MoKα","","0.0639","0.0442","","","0.0877","0.0995","","","","","","1.031","","","","has coordinates","295139","2024-10-06","06:05:06",""
"7133669","11.0523","0.0003","19.6399","0.0006","16.1066","0.0005","90","","100.267","0.001","90","","3440.21","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H28 N2 Ni O4 S4 -","- C42 H28 N2 Ni O4 S4 -","- C168 H112 N8 Ni4 O16 S16 -","4","1","","Singh, Sandhya; Dinesh, Shruthi; Yadav, Archana; Raje, Sakthi; Butcher, Ray J.; Sundararajan, Mahesh; Angamuthu, Raja","Direct observation of arene⋯sulphur dioxide interaction: role of metal ions in electronic modulation for binding and activation.","Chemical communications (Cambridge, England)","2024","60","79","11104","11107","10.1039/d4cc02329c","","","0.71073","MoKα","","0.0529","0.0365","","","0.0726","0.0827","","","","","","1.054","","","","has coordinates","295139","2024-10-06","06:05:20",""
"7133670","31.979","0.003","7.7793","0.0006","42.007","0.003","90","","91.219","0.004","90","","10447.9","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H39 Cd N2 O1.5 S2 -","- C42 H28 Cd N2 S2 -","- C504 H336 Cd12 N24 S24 -","12","1.5","","Singh, Sandhya; Dinesh, Shruthi; Yadav, Archana; Raje, Sakthi; Butcher, Ray J.; Sundararajan, Mahesh; Angamuthu, Raja","Direct observation of arene⋯sulphur dioxide interaction: role of metal ions in electronic modulation for binding and activation.","Chemical communications (Cambridge, England)","2024","60","79","11104","11107","10.1039/d4cc02329c","","","0.71073","MoKα","","0.0525","0.0354","","","0.0708","0.078","","","","","","1.091","","","","has coordinates","295139","2024-10-06","06:05:24",""
"7133671","8.064","0.009","17.31","0.03","18.08","0.03","105.9","0.06","96.56","0.04","94.52","0.03","2395","6","140","","140","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H36 F6 N2 O8 S2 -","- C56 H36 F6 N2 O8 S2 -","- C112 H72 F12 N4 O16 S4 -","2","1","","Rana, Samim Sohel; Manna, Surajit; Choudhury, Joyanta","Annulated oxazolium anion-π<sup>+</sup> AIEgens.","Chemical communications (Cambridge, England)","2024","60","78","10942","10945","10.1039/d4cc03079f","","","0.71073","MoKα","","0.1487","0.0697","","","0.1363","0.1753","","","","","","0.997","","","","has coordinates","295093","2024-10-06","04:58:23",""
"7133672","13.9378","0.0006","9.0106","0.0004","22.5804","0.001","90","","98.884","0.002","90","","2801.8","0.2","140","","140","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H24 F6 N O P -","- C35 H24 F6 N O P -","- C140 H96 F24 N4 O4 P4 -","4","1","","Rana, Samim Sohel; Manna, Surajit; Choudhury, Joyanta","Annulated oxazolium anion-π<sup>+</sup> AIEgens.","Chemical communications (Cambridge, England)","2024","60","78","10942","10945","10.1039/d4cc03079f","","","1.54178","CuKα","","0.0428","0.0389","","","0.0948","0.0972","","","","","","1.033","","","","has coordinates","295093","2024-10-06","04:58:38",""
"7133673","8.8209","0.0014","15.115","0.002","14.83","0.002","90","","93.286","0.007","90","","1974","0.5","140","","140","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 Cl N O Rh -","- C21 H25 Cl N O Rh -","- C84 H100 Cl4 N4 O4 Rh4 -","4","1","","Rana, Samim Sohel; Manna, Surajit; Choudhury, Joyanta","Annulated oxazolium anion-π<sup>+</sup> AIEgens.","Chemical communications (Cambridge, England)","2024","60","78","10942","10945","10.1039/d4cc03079f","","","0.71073","MoKα","","0.0865","0.0724","","","0.1535","0.1601","","","","","","1.14","","","","has coordinates,has disorder","295093","2024-10-06","04:58:41",""
"7133674","14.5509","0.0016","15.3261","0.0017","15.5887","0.0017","90","","109.068","0.004","90","","3285.7","0.6","140","2","140","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36.5 H24 Cl F9 N O P -","- C36 H23 F9 N O P -","- C144 H92 F36 N4 O4 P4 -","4","1","","Rana, Samim Sohel; Manna, Surajit; Choudhury, Joyanta","Annulated oxazolium anion-π<sup>+</sup> AIEgens.","Chemical communications (Cambridge, England)","2024","60","78","10942","10945","10.1039/d4cc03079f","","","0.71073","MoKα","","0.126","0.0603","","","0.1493","0.1896","","","","","","1.008","","","","has coordinates","295093","2024-10-06","04:58:52",""
"7133675","32.0534","0.0018","32.0534","0.0018","19.7407","0.0019","90","","90","","90","","20282","3","140","","140","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C54.1 H46.9 F12 N2 O4 P2 -","- C54.1 H48.9 F12 N2 O4 P2 -","- C865.6 H782.4 F192 N32 O64 P32 -","16","1","","Rana, Samim Sohel; Manna, Surajit; Choudhury, Joyanta","Annulated oxazolium anion-π<sup>+</sup> AIEgens.","Chemical communications (Cambridge, England)","2024","60","78","10942","10945","10.1039/d4cc03079f","","","0.71073","MoKα","","0.1544","0.0793","","","0.1963","0.2538","","","","","","1.019","","","","has coordinates","295093","2024-10-06","04:58:54",""
"7133676","24.7234","0.0011","25.8468","0.0011","26.5303","0.0011","98.669","0.002","110.256","0.002","111.317","0.002","14055.2","1.1","100","","100","","","","","","","","","7","P -1","-P 1","2","","Dy4tar2","","- C8 H4 Dy4 Na10 O174.5 Sb4 W42 -","- C8 H4 Dy4 Na10 O174.5 Sb4 W42 -","- C16 H8 Dy8 Na20 O349 Sb8 W84 -","2","1","","Yang, Guoping; Liu, Haoqi; Chen, Jincao; Lin, Xiaoling; Tan, Kexin; Dong, Yayu; Liu, Yufeng; Wei, Yongge","Dy/Ho-encapsulated tartaric acid-functionalized tungstoantimonates: heterogeneous catalysts for isoindolinone synthesis.","Chemical communications (Cambridge, England)","2024","60","78","10934","10937","10.1039/d4cc03675a","","","0.71073","MoKα","","0.0596","0.0477","","","0.1255","0.1303","","","","","","1.107","","","","has coordinates,has disorder","295089","2024-10-06","04:50:34",""
"7133677","24.7134","0.0014","25.8179","0.0012","26.5037","0.0013","98.714","0.002","110.23","0.002","111.334","0.002","14016.5","1.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","Ho4tar2","","- C8 H4 Ho4 Na6.5 O172.75 Sb4 W42 -","- C8 H4 Ho4 Na6.5 O172.75 Sb4 W42 -","- C16 H8 Ho8 Na13 O345.5 Sb8 W84 -","2","1","","Yang, Guoping; Liu, Haoqi; Chen, Jincao; Lin, Xiaoling; Tan, Kexin; Dong, Yayu; Liu, Yufeng; Wei, Yongge","Dy/Ho-encapsulated tartaric acid-functionalized tungstoantimonates: heterogeneous catalysts for isoindolinone synthesis.","Chemical communications (Cambridge, England)","2024","60","78","10934","10937","10.1039/d4cc03675a","","","0.71073","MoKα","","0.0656","0.0577","","","0.1677","0.1739","","","","","","1.089","","","","has coordinates,has disorder","295089","2024-10-06","04:50:44",""
"7133678","9.4395","0.0002","17.2117","0.0004","18.1895","0.0004","90","","90","","90","","2955.25","0.11","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H25 Cl3 N2 O6 -","- C30 H25 Cl3 N2 O6 -","- C120 H100 Cl12 N8 O24 -","4","1","","Yang, Zun; Jiang, Zheng; Tan, Zheng; Yu, Han; Feng, Xiaoming; Liu, Xiaohua","Asymmetric catalytic concise synthesis of 3-(3-indolomethyl)-oxindoles for the construction of trigolute analogs.","Chemical communications (Cambridge, England)","2024","60","78","10926","10929","10.1039/d4cc03327b","","","1.54178","CuKα","","0.0377","0.0354","","","0.0905","0.0916","","","","","","1.04","","","","has coordinates","295091","2024-10-06","04:53:28",""
"7133679","12.6855","0.0004","13.1657","0.0004","13.8011","0.0005","90.462","0.002","93.57","0.002","100.75","0.002","2259.67","0.13","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H53 Cl6 N7 Ni O -","- C44 H53 Cl6 N7 Ni O -","- C88 H106 Cl12 N14 Ni2 O2 -","2","1","","Cho, Hsien-Liang; Gullett, Kelly L.; Fout, Alison R.","Synthesis and characterization of tetrapodal nickel complexes with adaptable ligand binding geometries.","Chemical communications (Cambridge, England)","2024","60","76","10564","10567","10.1039/d4cc03186e","","","1.54178","CuKα","","0.0946","0.0691","","","0.181","0.209","","","","","","1.057","","","","has coordinates,has disorder","295123","2024-10-06","05:40:51",""
"7133680","24.699","0.003","14.4845","0.0016","25.529","0.003","90","","93.835","0.003","90","","9112.6","1.8","110","","110","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C43 H52 Cl4 F6 N7 Ni O P -","- C43 H52 Cl4 F6 N7 Ni O P -","- C344 H416 Cl32 F48 N56 Ni8 O8 P8 -","8","1","","Cho, Hsien-Liang; Gullett, Kelly L.; Fout, Alison R.","Synthesis and characterization of tetrapodal nickel complexes with adaptable ligand binding geometries.","Chemical communications (Cambridge, England)","2024","60","76","10564","10567","10.1039/d4cc03186e","","x-ray","0.71073","MoKα","","0.104","0.0706","","","0.1636","0.1827","","","","","","1.058","","","","has coordinates","295123","2024-10-06","05:41:05",""
"7133681","18.2202","0.0001","21.2148","0.0001","24.4312","0.0001","90","","90","","90","","9443.58","0.08","100","0.1","100","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C45 H50 F6 N8 Ni O6 S2 -","- C45 H50 F6 N8 Ni O6 S2 -","- C360 H400 F48 N64 Ni8 O48 S16 -","8","1","","Cho, Hsien-Liang; Gullett, Kelly L.; Fout, Alison R.","Synthesis and characterization of tetrapodal nickel complexes with adaptable ligand binding geometries.","Chemical communications (Cambridge, England)","2024","60","76","10564","10567","10.1039/d4cc03186e","","x-ray","1.54184","CuKα","","0.0443","0.0431","","","0.1115","0.1125","","","","","","1.029","","","","has coordinates,has disorder","295123","2024-10-06","05:41:05",""
"7133682","10.8971","0.001","15.177","0.0014","24.243","0.002","90","","102.067","0.003","90","","3920.8","0.6","110","","110","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C42 H45 Ag F3 N7 Ni O3 S -","- C42 H45 Ag F3 N7 Ni O3 S -","- C168 H180 Ag4 F12 N28 Ni4 O12 S4 -","4","1","","Cho, Hsien-Liang; Gullett, Kelly L.; Fout, Alison R.","Synthesis and characterization of tetrapodal nickel complexes with adaptable ligand binding geometries.","Chemical communications (Cambridge, England)","2024","60","76","10564","10567","10.1039/d4cc03186e","","","1.54178","CuKα","","0.0461","0.0451","","","0.1316","0.1327","","","","","","1.066","","","","has coordinates,has disorder","295123","2024-10-06","05:41:05",""
"7133683","38.727","0.0002","8.71219","0.00005","22.27255","0.00011","90","","94.061","0.0005","90","","7495.82","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H94 Cl4 N14 Ni2 -","- C84 H94 Cl4 N14 Ni2 -","- C336 H376 Cl16 N56 Ni8 -","4","1","","Cho, Hsien-Liang; Gullett, Kelly L.; Fout, Alison R.","Synthesis and characterization of tetrapodal nickel complexes with adaptable ligand binding geometries.","Chemical communications (Cambridge, England)","2024","60","76","10564","10567","10.1039/d4cc03186e","","x-ray","1.54184","CuKα","","0.0644","0.061","","","0.1621","0.1649","","","","","","1.032","","","","has coordinates,has disorder","295123","2024-10-06","05:41:05",""
"7133684","12.45","0.003","14.51","0.003","14.6","0.003","106.13","0.03","102.37","0.03","112.91","0.03","2173.4","1.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C100 H138 N4 Sr2 -","- C100 H138 N4 Sr2 -","- C100 H138 N4 Sr2 -","1","0.5","","Kennedy, Dominic B.; Evans, Matthew J.; Jones, Dafydd D. L.; Parr, Joseph M.; Hill, Michael S.; Jones, Cameron","A series of neutral alkaline earth metal hydride complexes supported by a bulky, unsymmetrical β-diketiminate ligand, [{(<sup>Dip/TCHP</sup>Nacnac)M(μ-H)}<sub>2</sub>] (M = Mg, Ca, Sr or Ba).","Chemical communications (Cambridge, England)","2024","60","78","10894","10897","10.1039/d4cc04286g","","","0.71073","Synchrotron","","0.0763","0.0715","","","0.2004","0.206","","","","","","1.036","","","","has coordinates","295094","2024-10-06","05:00:31",""
"7133685","17.7","0.004","13.92","0.003","18.7","0.004","90","","114.08","0.03","90","","4206.4","1.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H70 Mg N2 Si -","- C45 H70 Mg N2 Si -","- C180 H280 Mg4 N8 Si4 -","4","1","","Kennedy, Dominic B.; Evans, Matthew J.; Jones, Dafydd D. L.; Parr, Joseph M.; Hill, Michael S.; Jones, Cameron","A series of neutral alkaline earth metal hydride complexes supported by a bulky, unsymmetrical β-diketiminate ligand, [{(<sup>Dip/TCHP</sup>Nacnac)M(μ-H)}<sub>2</sub>] (M = Mg, Ca, Sr or Ba).","Chemical communications (Cambridge, England)","2024","60","78","10894","10897","10.1039/d4cc04286g","","","0.71073","Synchrotron","","0.0403","0.0383","","","0.1041","0.1057","","","","","","1.024","","","","has coordinates","295094","2024-10-06","05:00:39",""
"7133686","12.568","0.0002","14.4876","0.0002","14.5826","0.0002","106.354","0.001","102.174","0.001","113.558","0.002","2171.82","0.08","123","0.1","123","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C100 H138 Ca2 N4 O0.4 -","- C100 H138 Ca2 N4 O0.4 -","- C100 H138 Ca2 N4 O0.4 -","1","0.5","","Kennedy, Dominic B.; Evans, Matthew J.; Jones, Dafydd D. L.; Parr, Joseph M.; Hill, Michael S.; Jones, Cameron","A series of neutral alkaline earth metal hydride complexes supported by a bulky, unsymmetrical β-diketiminate ligand, [{(<sup>Dip/TCHP</sup>Nacnac)M(μ-H)}<sub>2</sub>] (M = Mg, Ca, Sr or Ba).","Chemical communications (Cambridge, England)","2024","60","78","10894","10897","10.1039/d4cc04286g","","x-ray","1.54184","CuKα","","0.0441","0.0429","","","0.1189","0.12","","","","","","1.094","","","","has coordinates,has disorder","295094","2024-10-06","05:00:39",""
"7133687","15.123","0.003","14.871","0.003","17.362","0.004","90","","90","","90","","3904.6","1.4","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C82 H120 Mg2 N4 -","- C82 H120 Mg2 N4 -","- C164 H240 Mg4 N8 -","2","0.5","","Kennedy, Dominic B.; Evans, Matthew J.; Jones, Dafydd D. L.; Parr, Joseph M.; Hill, Michael S.; Jones, Cameron","A series of neutral alkaline earth metal hydride complexes supported by a bulky, unsymmetrical β-diketiminate ligand, [{(<sup>Dip/TCHP</sup>Nacnac)M(μ-H)}<sub>2</sub>] (M = Mg, Ca, Sr or Ba).","Chemical communications (Cambridge, England)","2024","60","78","10894","10897","10.1039/d4cc04286g","","","0.71073","Synchrotron","","0.1882","0.0839","","","0.2184","0.2935","","","","","","0.837","","","","has coordinates","295094","2024-10-06","05:00:39",""
"7133688","9.7784","0.0002","10.7675","0.0002","24.1613","0.0003","82.949","0.001","86.01","0.001","69.43","0.002","2362.76","0.08","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H82 Mg N2 O -","- C52 H82 Mg N2 O -","- C104 H164 Mg2 N4 O2 -","2","1","","Kennedy, Dominic B.; Evans, Matthew J.; Jones, Dafydd D. L.; Parr, Joseph M.; Hill, Michael S.; Jones, Cameron","A series of neutral alkaline earth metal hydride complexes supported by a bulky, unsymmetrical β-diketiminate ligand, [{(<sup>Dip/TCHP</sup>Nacnac)M(μ-H)}<sub>2</sub>] (M = Mg, Ca, Sr or Ba).","Chemical communications (Cambridge, England)","2024","60","78","10894","10897","10.1039/d4cc04286g","","","1.54184","CuKα","","0.0942","0.0855","","","0.2355","0.2447","","","","","","1.055","","","","has coordinates","295094","2024-10-06","05:00:39",""
"7133689","12.68","0.003","18.66","0.004","22.47","0.005","90","","96.56","0.03","90","","5282","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H85 N3 O Si2 Sr -","- C51 H85 N3 O Si2 Sr -","- C204 H340 N12 O4 Si8 Sr4 -","4","1","","Kennedy, Dominic B.; Evans, Matthew J.; Jones, Dafydd D. L.; Parr, Joseph M.; Hill, Michael S.; Jones, Cameron","A series of neutral alkaline earth metal hydride complexes supported by a bulky, unsymmetrical β-diketiminate ligand, [{(<sup>Dip/TCHP</sup>Nacnac)M(μ-H)}<sub>2</sub>] (M = Mg, Ca, Sr or Ba).","Chemical communications (Cambridge, England)","2024","60","78","10894","10897","10.1039/d4cc04286g","","","0.71073","Synchrotron","","0.0525","0.034","","","0.0819","0.089","","","","","","1.037","","","","has coordinates","295094","2024-10-06","05:00:39",""
"7133690","12.44","0.003","14.61","0.003","14.74","0.003","105.02","0.03","113.64","0.03","102.69","0.03","2206.1","1.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C100 H138 Ba2 N4 -","- C100 H138 Ba2 N4 -","- C100 H138 Ba2 N4 -","1","0.5","","Kennedy, Dominic B.; Evans, Matthew J.; Jones, Dafydd D. L.; Parr, Joseph M.; Hill, Michael S.; Jones, Cameron","A series of neutral alkaline earth metal hydride complexes supported by a bulky, unsymmetrical β-diketiminate ligand, [{(<sup>Dip/TCHP</sup>Nacnac)M(μ-H)}<sub>2</sub>] (M = Mg, Ca, Sr or Ba).","Chemical communications (Cambridge, England)","2024","60","78","10894","10897","10.1039/d4cc04286g","","","0.71073","Synchrotron","","0.0648","0.0637","","","0.1737","0.1748","","","","","","1.052","","","","has coordinates,has disorder","295094","2024-10-06","05:00:39",""
"7133691","9.272","0.003","10.117","0.003","29.063","0.009","90","","90","","90","","2726.2","1.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 F3 N2 O5 S -","- C27 H25 F3 N2 O5 S -","- C108 H100 F12 N8 O20 S4 -","4","1","","Shi, Siyu; Gu, Mengyun; Chen, Danna; Li, Ruya; Shen, Zhiqiang; Huang, Jinqi; Yan, Wenjin","Organocatalytic enantio- and diastereoselective synthesis of trifluoro-ethylamine allenoate derivatives containing axial and central chiralities.","Chemical communications (Cambridge, England)","2024","60","79","11116","11119","10.1039/d4cc03297g","","","0.71073","MoKα","","0.081","0.0421","","","0.0822","0.0952","","","","","","1.002","","","","has coordinates","295144","2024-10-06","06:10:54",""
"7133692","6.775","0.004","29.533","0.016","13.366","0.007","90","","96.411","0.007","90","","2658","3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 F3 N2 O5 S -","- C27 H24 F3 N2 O5 S -","- C108 H96 F12 N8 O20 S4 -","4","1","","Shi, Siyu; Gu, Mengyun; Chen, Danna; Li, Ruya; Shen, Zhiqiang; Huang, Jinqi; Yan, Wenjin","Organocatalytic enantio- and diastereoselective synthesis of trifluoro-ethylamine allenoate derivatives containing axial and central chiralities.","Chemical communications (Cambridge, England)","2024","60","79","11116","11119","10.1039/d4cc03297g","","","0.71073","MoKα","","0.1521","0.1224","","","0.2709","0.2914","","","","","","1.061","","","","has coordinates","295144","2024-10-06","06:11:08",""
"7133693","12.5417","0.0018","8.2315","0.001","9.3787","0.0008","90","","101.952","0.007","90","","947.2","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-N,1-bis(1-methyl-1H-pyrazol-4-yl)methanimine","","- C9 H11 N5 -","- C9 H11 N5 -","- C36 H44 N20 -","4","1","","Wu, Jiarong; Li, Clara; Kreimendahl, Lasse; Greenfield, Jake L.","Iminobispyrazole (IBP) photoswitches: two pyrazole rings can be better than one.","Chemical communications (Cambridge, England)","2024","60","85","12365","12368","10.1039/d4cc03517h","","","1.54178","CuKα","","0.0357","0.0331","","","0.0845","0.0872","","","","","","1.071","","","","has coordinates","296307","2024-12-06","15:24:38",""
"7133694","16.1404","0.0004","18.4014","0.0003","19.6125","0.0005","90","","97.612","0.002","90","","5773.7","0.2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H90 Ca N2 O Si2 -","- C58 H90 Ca N2 O Si2 -","- C232 H360 Ca4 N8 O4 Si8 -","4","1","","Hinz, Alexander; Winkler, Lucas; Sun, Xiaofei","CO reduction by calcium and ytterbium hydride complexes with a bulky monodentate carbazolyl ligand.","Chemical communications (Cambridge, England)","2024","60","80","11291","11294","10.1039/d4cc03714f","","x-ray","0.71073","MoKα","","0.0675","0.0459","","","0.1162","0.1311","","","","","","1.025","","","","has coordinates,has disorder","295150","2024-10-06","06:20:00",""
"7133695","13.6301","0.0005","16.0796","0.0005","16.211","0.0005","114.438","0.002","95.447","0.003","113.394","0.003","2822.3","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H83 N Yb -","- C66 H83 N Yb -","- C132 H166 N2 Yb2 -","2","1","","Hinz, Alexander; Winkler, Lucas; Sun, Xiaofei","CO reduction by calcium and ytterbium hydride complexes with a bulky monodentate carbazolyl ligand.","Chemical communications (Cambridge, England)","2024","60","80","11291","11294","10.1039/d4cc03714f","","x-ray","0.71073","MoKα","","0.0376","0.0302","","","0.0744","0.0768","","","","","","1.02","","","","has coordinates,has disorder","295150","2024-10-06","06:20:06",""
"7133696","11.7801","0.0006","14.1233","0.0008","18.7536","0.001","92.001","0.004","106.563","0.004","92.221","0.004","2985","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H97 N2 O Si2 Yb -","- C61 H97 N2 O Si2 Yb -","- C122 H194 N4 O2 Si4 Yb2 -","2","1","","Hinz, Alexander; Winkler, Lucas; Sun, Xiaofei","CO reduction by calcium and ytterbium hydride complexes with a bulky monodentate carbazolyl ligand.","Chemical communications (Cambridge, England)","2024","60","80","11291","11294","10.1039/d4cc03714f","","x-ray","1.34143","GaKα","","0.1011","0.0502","","","0.0985","0.1095","","","","","","0.831","","","","has coordinates,has disorder","295150","2024-10-06","06:20:06",""
"7133697","12.93","0.002","13.419","0.002","13.9153","0.0019","74.266","0.012","86.131","0.012","76.624","0.013","2260.9","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H73 N O Yb -","- C52 H73 N O Yb -","- C104 H146 N2 O2 Yb2 -","2","1","","Hinz, Alexander; Winkler, Lucas; Sun, Xiaofei","CO reduction by calcium and ytterbium hydride complexes with a bulky monodentate carbazolyl ligand.","Chemical communications (Cambridge, England)","2024","60","80","11291","11294","10.1039/d4cc03714f","","x-ray","0.71073","MoKα","","0.1035","0.0623","","","0.1334","0.1695","","","","","","1.078","","","","has coordinates,has disorder","295150","2024-10-06","06:20:06",""
"7133698","17.5438","0.0005","21.5053","0.0004","26.0497","0.0007","90","","106.954","0.002","90","","9401","0.4","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C102 H138 Ca2 N2 O3 -","- C102 H138 Ca2 N2 O3 -","- C408 H552 Ca8 N8 O12 -","4","0.5","","Hinz, Alexander; Winkler, Lucas; Sun, Xiaofei","CO reduction by calcium and ytterbium hydride complexes with a bulky monodentate carbazolyl ligand.","Chemical communications (Cambridge, England)","2024","60","80","11291","11294","10.1039/d4cc03714f","","x-ray","1.34143","GaKα","","0.0688","0.0478","","","0.1338","0.1411","","","","","","1.111","","","","has coordinates,has disorder","295150","2024-10-06","06:20:06",""
"7133699","14.3009","0.0008","21.2924","0.0011","27.1108","0.0013","66.923","0.004","84.961","0.004","85.933","0.004","7559.3","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C113.33 H150.67 N2 O3.33 Yb2 -","- C113.333 H150.667 N2 O3.33333 Yb2 -","- C340 H452 N6 O10 Yb6 -","3","1.5","","Hinz, Alexander; Winkler, Lucas; Sun, Xiaofei","CO reduction by calcium and ytterbium hydride complexes with a bulky monodentate carbazolyl ligand.","Chemical communications (Cambridge, England)","2024","60","80","11291","11294","10.1039/d4cc03714f","","x-ray","0.71073","MoKα","","0.1873","0.0819","","","0.1881","0.2462","","","","","","1","","","","has coordinates,has disorder","295150","2024-10-06","06:20:06",""
"7133700","13.7368","0.0008","16.077","0.0008","16.7076","0.0011","103.641","0.004","110.348","0.005","113.208","0.004","2866.6","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H83 Ca N -","- C66 H83 Ca N -","- C132 H166 Ca2 N2 -","2","1","","Hinz, Alexander; Winkler, Lucas; Sun, Xiaofei","CO reduction by calcium and ytterbium hydride complexes with a bulky monodentate carbazolyl ligand.","Chemical communications (Cambridge, England)","2024","60","80","11291","11294","10.1039/d4cc03714f","","x-ray","1.34143","GaKα","","0.0603","0.0508","","","0.1521","0.1578","","","","","","1.098","","","","has coordinates,has disorder","295150","2024-10-06","06:20:06",""
"7133701","11.859","0.003","14.163","0.002","18.825","0.003","92.034","0.011","106.542","0.014","92.672","0.015","3023.7","1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H97 Ca N2 O Si2 -","- C61 H97 Ca N2 O Si2 -","- C122 H194 Ca2 N4 O2 Si4 -","2","1","","Hinz, Alexander; Winkler, Lucas; Sun, Xiaofei","CO reduction by calcium and ytterbium hydride complexes with a bulky monodentate carbazolyl ligand.","Chemical communications (Cambridge, England)","2024","60","80","11291","11294","10.1039/d4cc03714f","","x-ray","0.71073","MoKα","","0.0719","0.0487","","","0.1275","0.1436","","","","","","1.026","","","","has coordinates,has disorder","295150","2024-10-06","06:20:06",""
"7133702","16.4998","0.0008","16.2635","0.001","20.1945","0.001","90","","91.354","0.004","90","","5417.6","0.5","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H82 Ca N2 Si2 -","- C54 H82 Ca N2 Si2 -","- C216 H328 Ca4 N8 Si8 -","4","1","","Hinz, Alexander; Winkler, Lucas; Sun, Xiaofei","CO reduction by calcium and ytterbium hydride complexes with a bulky monodentate carbazolyl ligand.","Chemical communications (Cambridge, England)","2024","60","80","11291","11294","10.1039/d4cc03714f","","x-ray","0.71073","MoKα","","0.0756","0.0497","","","0.1292","0.1465","","","","","","1.035","","","","has coordinates,has disorder","295150","2024-10-06","06:20:06",""
"7133703","13.1101","0.0005","13.6268","0.0005","14.1886","0.0006","74.213","0.003","86.447","0.003","76.82","0.003","2374.91","0.17","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H73 Ca N O -","- C52 H73 Ca N O -","- C104 H146 Ca2 N2 O2 -","2","1","","Hinz, Alexander; Winkler, Lucas; Sun, Xiaofei","CO reduction by calcium and ytterbium hydride complexes with a bulky monodentate carbazolyl ligand.","Chemical communications (Cambridge, England)","2024","60","80","11291","11294","10.1039/d4cc03714f","","x-ray","0.71073","MoKα","","0.0864","0.0554","","","0.126","0.145","","","","","","1.063","","","","has coordinates,has disorder","295150","2024-10-06","06:20:06",""
"7133704","8.5689","0.0002","14.0796","0.0004","12.6116","0.0003","90","","91.05","0.002","90","","1521.29","0.07","120.01","0.1","120.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 N2 O2 -","- C17 H22 N2 O2 -","- C68 H88 N8 O8 -","4","1","","Nicholson, Kieran; McOnie, Sarah L.; Langer, Thomas; Nichol, Gary S.; Thomas, Stephen P.","Borane-catalysed C2-selective indole reductive functionalisation.","Chemical communications (Cambridge, England)","2024","60","77","10748","10751","10.1039/d4cc03880k","","x-ray","0.71073","MoKα","","0.0549","0.0454","","","0.1063","0.1114","","","","","","1.058","","","","has coordinates","295114","2024-10-06","05:25:30",""
"7133705","7.9539","0.0008","15.2398","0.0013","4.8359","0.0004","90","","90","","90","","586.19","0.09","293","2","293","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C4 Eu2 Li4 O12 -","- C4 Eu2 Li4 O12 -","- C8 Eu4 Li8 O24 -","2","0.125","","Huang, Wenhao; Chen, Zhonghang; Cheng, Peng; Shi, Wei","Strong size sieving effect in a rigid oxalate-based metal-organic framework for selective lithium extraction.","Chemical communications (Cambridge, England)","2024","60","83","11972","11975","10.1039/d4cc04101a","","x-ray","0.71073","MoKα","","0.0417","0.0356","","","0.0961","0.1011","","","","","","1.124","","","","has coordinates","296267","2024-12-06","15:01:26",""
"7133706","7.9438","0.0008","15.1693","0.0016","4.8115","0.0004","90","","90","","90","","579.79","0.1","293","2","293","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C2 H2 Eu O6 -","- C2 H2 Eu O6 -","- C8 H8 Eu4 O24 -","4","0.25","","Huang, Wenhao; Chen, Zhonghang; Cheng, Peng; Shi, Wei","Strong size sieving effect in a rigid oxalate-based metal-organic framework for selective lithium extraction.","Chemical communications (Cambridge, England)","2024","60","83","11972","11975","10.1039/d4cc04101a","","x-ray","0.71073","MoKα","","0.0307","0.0279","","","0.0647","0.0655","","","","","","1.098","","","","has coordinates","296267","2024-12-06","15:01:27",""
"7133707","22.8945","0.0004","22.8945","0.0004","16.5284","0.0005","90","","90","","120","","7502.8","0.3","193","","193.15","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C33 H57 N15 O15 Zr -","- C12 H8 N8 O8 Zr -","- C72 H48 N48 O48 Zr6 -","6","0.25","","Shao, Zhen-Wu; Xiong, Chaozhi; Yang, Jiajie; Mei, Zhewei; Xiong, Li; Wu, Wenjing; Liu, Chong","A Zr-hydroxamate metal-organic framework with intrinsic chelating sites for postsynthetic Pd metalation and Suzuki-Miyaura catalysis.","Chemical communications (Cambridge, England)","2024","60","79","11100","11103","10.1039/d4cc03895a","","","1.34139","synchrotron","","0.0541","0.0447","","","0.1493","0.1567","","","","","","1.0037","","","","has coordinates","295140","2024-10-06","06:06:20",""
"7133708","29.287","0.007","8.8974","0.0018","14.848","0.003","90","","110.05","0.012","90","","3634.6","1.4","140","2","140","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 Br N2 O2 -","- C21 H19 Br N2 O2 -","- C168 H152 Br8 N16 O16 -","8","1","","Keshri, Santosh Kumar; Kapur, Manmohan","Room temperature C-O bond cleavage of vinyl cyclic synthons <i>via</i> a metallaphotoredox approach.","Chemical communications (Cambridge, England)","2024","60","79","11164","11167","10.1039/d4cc02815e","","","0.71073","MoKα","","0.1572","0.0967","","","0.21","0.2374","","","","","","1.113","","","","has coordinates,has disorder","295143","2024-10-06","06:09:58",""
"7133709","12.5774","0.0002","14.2514","0.0001","34.1633","0.0005","90","","98.097","0.001","90","","6062.57","0.14","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C124 H191 B2 N11 Zn4 -","- C124 H191 B2 N11 Zn4 -","- C248 H382 B4 N22 Zn8 -","2","0.5","","Mahawar, Pritam; Rajeshkumar, Thayalan; Spaniol, Thomas P.; Maron, Laurent; Okuda, Jun","Hypervalent zinc(I) complexes with an <i>NNNN</i>-macrocycle: C-H bond activation across the zinc(I)-zinc(I) bond.","Chemical communications (Cambridge, England)","2024","60","80","11359","11362","10.1039/d4cc04266b","","x-ray","1.54186","CuKα","","0.0407","0.04","","","0.1155","0.1161","","","","","","1.043","","","","has coordinates,has disorder","295145","2024-10-06","06:13:07",""
"7133710","11.617","0.002","23.399","0.003","18.517","0.003","90","","105.899","0.014","90","","4840.9","1.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C108 H146 B2 N8 O Zn2 -","- C108 H146 B2 N8 O Zn2 -","- C216 H292 B4 N16 O2 Zn4 -","2","0.5","","Mahawar, Pritam; Rajeshkumar, Thayalan; Spaniol, Thomas P.; Maron, Laurent; Okuda, Jun","Hypervalent zinc(I) complexes with an <i>NNNN</i>-macrocycle: C-H bond activation across the zinc(I)-zinc(I) bond.","Chemical communications (Cambridge, England)","2024","60","80","11359","11362","10.1039/d4cc04266b","","x-ray","1.54178","CuKα","","0.046","0.0336","","","0.0849","0.0893","","","","","","0.98","","","","has coordinates,has disorder","295145","2024-10-06","06:13:11",""
"7133711","9.11732","0.00017","21.9011","0.0004","23.9707","0.0005","90","","98.7183","0.0015","90","","4731.15","0.16","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H72 B N7 Zn -","- C50 H72 B N7 Zn -","- C200 H288 B4 N28 Zn4 -","4","1","","Mahawar, Pritam; Rajeshkumar, Thayalan; Spaniol, Thomas P.; Maron, Laurent; Okuda, Jun","Hypervalent zinc(I) complexes with an <i>NNNN</i>-macrocycle: C-H bond activation across the zinc(I)-zinc(I) bond.","Chemical communications (Cambridge, England)","2024","60","80","11359","11362","10.1039/d4cc04266b","","x-ray","1.54186","CuKα","","0.0698","0.0521","","","0.139","0.1505","","","","","","1.026","","","","has coordinates","295145","2024-10-06","06:13:11",""
"7133712","24.2793","0.0003","19.235","0.0005","47.6175","0.001","90","","90","","90","","22238","0.8","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C218 H339 B4 N27 O5 Zn4 -","- C218 H339 B4 N27 O5 Zn4 -","- C872 H1356 B16 N108 O20 Zn16 -","4","0.5","","Mahawar, Pritam; Rajeshkumar, Thayalan; Spaniol, Thomas P.; Maron, Laurent; Okuda, Jun","Hypervalent zinc(I) complexes with an <i>NNNN</i>-macrocycle: C-H bond activation across the zinc(I)-zinc(I) bond.","Chemical communications (Cambridge, England)","2024","60","80","11359","11362","10.1039/d4cc04266b","","","1.54178","CuKα","","0.1009","0.0762","","","0.2227","0.2496","","","","","","1.021","","","","has coordinates,has disorder","295145","2024-10-06","06:13:11",""
"7133713","16.3807","0.0002","16.9986","0.0003","9.8142","0.0001","90","","101.166","0.001","90","","2681.02","0.06","295.15","","295.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H37 O5 P -","- C27 H37 O5 P -","- C108 H148 O20 P4 -","4","1","","Jose, Jobsy; Yadav, Arun; Tripathi, Chandra Bhushan","Photoinduced [4+2] cycloaddition of dienes and quinonemethides.","Chemical communications (Cambridge, England)","2024","60","80","11315","11318","10.1039/d4cc03778b","","","1.54184","CuKα","","0.0654","0.0584","","","0.1654","0.1721","","","","","","1.074","","","","has coordinates","295149","2024-10-06","06:17:34",""
"7133714","9.8921","0.0002","10.12","0.0002","14.8901","0.0002","90.087","0.001","103.616","0.001","118.61","0.002","1260.38","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H37 O4 P -","- C27 H37 O4 P -","- C54 H74 O8 P2 -","2","1","","Jose, Jobsy; Yadav, Arun; Tripathi, Chandra Bhushan","Photoinduced [4+2] cycloaddition of dienes and quinonemethides.","Chemical communications (Cambridge, England)","2024","60","80","11315","11318","10.1039/d4cc03778b","","x-ray","1.54184","CuKα","","0.0471","0.0427","","","0.1195","0.1235","","","","","","1.074","","","","has coordinates","295149","2024-10-06","06:17:37",""
"7133715","12.7322","0.0012","14.8109","0.0013","18.7471","0.0016","66.821","0.003","83.203","0.003","71.337","0.003","3078.9","0.5","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C110 H90 Dy2 F18 Fe1.2 N22 O30 Ru0.8 S6 -","- C110 H90 Dy2 F18 Fe1.2 N22 O30 Ru0.8 S6 -","- C110 H90 Dy2 F18 Fe1.2 N22 O30 Ru0.8 S6 -","1","0.5","","Liberka, Michal; Chorazy, Szymon","Making soluble Dy<sub>2</sub> single-molecule magnets red emissive through their functionalization by ruthenium-cyanido luminophores.","Chemical communications (Cambridge, England)","2024","60","80","11351","11354","10.1039/d4cc04001e","","x-ray","0.71073","MoKα","","0.0527","0.0454","","","0.1109","0.1143","","","","","","1.064","","","","has coordinates,has disorder","295147","2024-10-06","06:15:46",""
"7133716","12.4917","0.0017","14.753","0.002","19.084","0.003","69.179","0.004","83.711","0.004","71.745","0.004","3121.9","0.8","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C110 H82 Dy2 F18 Fe0.8 N22 O30 Ru1.2 S6 -","- C110 H82 Dy2 F18 Fe0.8 N22 O30 Ru1.2 S6 -","- C110 H82 Dy2 F18 Fe0.8 N22 O30 Ru1.2 S6 -","1","0.5","","Liberka, Michal; Chorazy, Szymon","Making soluble Dy<sub>2</sub> single-molecule magnets red emissive through their functionalization by ruthenium-cyanido luminophores.","Chemical communications (Cambridge, England)","2024","60","80","11351","11354","10.1039/d4cc04001e","","x-ray","0.71073","MoKα","","0.0926","0.0739","","","0.1663","0.1751","","","","","","1.108","","","","has coordinates,has disorder","295147","2024-10-06","06:16:00",""
"7133717","7.057","0.003","12.282","0.004","13.493","0.005","76.338","0.013","79.786","0.014","78.458","0.014","1103","0.7","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H27 N O -","- C27 H27 N O -","- C54 H54 N2 O2 -","2","1","","Liu, Shilei; Nan, Jiang; An, Nan; Cao, Rui; Zhu, Lanxin; Yan, Qiang; Zhang, Hanqing; Liang, Chengyuan","Palladium/norbornene-catalyzed C-H/N-H cycloaddition of carbazoles with 2-halobenzoic acid derivatives.","Chemical communications (Cambridge, England)","2024","60","82","11746","11749","10.1039/d4cc03720k","","x-ray","0.71073","MoKα","","0.1377","0.0746","","","0.2036","0.2676","","","","","","1.031","","","","has coordinates,has disorder","296337","2024-12-06","15:38:02",""
"7133718","8.671","0.002","10.576","0.002","14.37","0.003","91.73","0.004","99.279","0.004","92.54","0.003","1298.3","0.5","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H25 N O4 S -","- C31 H25 N O4 S -","- C62 H50 N2 O8 S2 -","2","1","","Wang, Zhan-Yong; Ma, Guoyang; Xu, Yaoyao; Wang, Qingqing; Zhang, Mengru; Ma, Xueji; Ma, Chenyang; Sun, Aili; Xia, Ran; Liu, Hongxin","One-pot synthesis of functionalized dihydropyridin-2-ones <i>via</i> carbene-catalyzed base-controlled [3+3] annulation reaction.","Chemical communications (Cambridge, England)","2024","60","80","11327","11330","10.1039/d4cc03521f","","","0.71073","MoKα","","0.0666","0.0486","","","0.121","0.1352","","","","","","1.042","","","","has coordinates","295148","2024-10-06","06:16:40",""
"7133719","10.809","0.004","26.109","0.01","20.432","0.007","90","","98.96","0.02","90","","5696","4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H72 Cu4 F12 N8 -","- C48 H72 Cu4 F12 N8 -","- C192 H288 Cu16 F48 N32 -","4","1","","Rajagopal, Shinaj K.; Zeller, Matthias; Savikhin, Sergei; Slipchenko, Lyudmila V.; Wei, Alexander","Rigidochromism of tetranuclear Cu(I)-pyrazolate macrocycles: steric crowding with trifluoromethyl groups.","Chemical communications (Cambridge, England)","2024","60","80","11307","11310","10.1039/d4cc04259j","","","0.71073","MoKα","","0.0843","0.0493","","","0.1343","0.1512","","","","","","1.081","","","","has coordinates,has disorder","295146","2024-10-06","06:14:32",""
"7133720","10.7542","0.0015","33.091","0.005","33.101","0.006","104.128","0.012","95.625","0.012","95.573","0.01","11278","3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H72 Cu4 F12 N8 -","- C48 H72 Cu4 F12 N8 -","- C384 H576 Cu32 F96 N64 -","8","4","","Rajagopal, Shinaj K.; Zeller, Matthias; Savikhin, Sergei; Slipchenko, Lyudmila V.; Wei, Alexander","Rigidochromism of tetranuclear Cu(I)-pyrazolate macrocycles: steric crowding with trifluoromethyl groups.","Chemical communications (Cambridge, England)","2024","60","80","11307","11310","10.1039/d4cc04259j","","","0.71073","MoKα","","0.033","0.0272","","","0.071","0.0734","","","","","","1.039","","","","has coordinates","295146","2024-10-06","06:14:40",""
"7133721","52.946","0.003","10.4697","0.0006","9.7763","0.0005","90","","95.237","0.005","90","","5396.7","0.5","100","0.1","100.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C30 H36 N2 O7 -","- C30 H36 N2 O7 -","- C240 H288 N16 O56 -","8","2","","Barlow, Sean R.; Halcovitch, Nathan R.; Akien, Geoffrey R.; Coote, Susannah C.; Evans, Nicholas H.","Cubane-1,3-dicarboxamides as structural isosteres for isophthalamides in hydrogen bond templated interlocked molecules.","Chemical communications (Cambridge, England)","2024","60","81","11532","11535","10.1039/d4cc01859a","","","1.54184","CuKα","","0.1239","0.1099","","","0.3276","0.3505","","","","","","1.529","","","","has coordinates","296272","2024-12-06","15:03:32",""
"7133722","22.1773","0.0003","20.9754","0.0003","15.219","0.0002","90","","90","","90","","7079.54","0.17","100","0.1","100.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C71 H65 Cl9 N6 O6 -","- C68 H62 N6 O6 -","- C272 H248 N24 O24 -","4","0.5","","Barlow, Sean R.; Halcovitch, Nathan R.; Akien, Geoffrey R.; Coote, Susannah C.; Evans, Nicholas H.","Cubane-1,3-dicarboxamides as structural isosteres for isophthalamides in hydrogen bond templated interlocked molecules.","Chemical communications (Cambridge, England)","2024","60","81","11532","11535","10.1039/d4cc01859a","","","1.54184","CuKα","","0.0902","0.0821","","","0.25","0.2599","","","","","","1.077","","","","has coordinates,has disorder","296272","2024-12-06","15:03:33",""
"7133723","6.11292","0.00018","19.9526","0.0006","12.9873","0.0004","90","","100.667","0.003","90","","1556.67","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H27 B N2 O2 -","- C13 H27 B N2 O2 -","- C52 H108 B4 N8 O8 -","4","1","","Rajput, Sagrika; Sahoo, Rajata Kumar; M T, Nithya; Nembenna, Sharanappa","Zinc catalyzed chemoselective hydrofunctionalization of cyanamides.","Chemical communications (Cambridge, England)","2024","60","79","11148","11151","10.1039/d4cc03972f","","x-ray","1.54184","CuKα","","0.0771","0.075","","","0.1991","0.2007","","","","","","1.057","","","","has coordinates","295138","2024-10-06","06:03:54",""
"7133724","12.7981","0.0002","26.9412","0.0004","13.2296","0.0002","90","","95.789","0.001","90","","4538.25","0.12","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C100 H136 N14 Zn2 -","- C100 H136 N14 Zn2 -","- C200 H272 N28 Zn4 -","2","1","","Rajput, Sagrika; Sahoo, Rajata Kumar; M T, Nithya; Nembenna, Sharanappa","Zinc catalyzed chemoselective hydrofunctionalization of cyanamides.","Chemical communications (Cambridge, England)","2024","60","79","11148","11151","10.1039/d4cc03972f","","","1.54184","CuKα","","0.0501","0.0481","","","0.1293","0.1311","","","","","","1.045","","","","has coordinates","295138","2024-10-06","06:03:56",""
"7133725","18.6377","0.0013","18.6377","0.0013","27.574","0.003","90","","90","","90","","9578.2","1.4","298","0.2","298","0.2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C24 H28 B F2 N3 -","- C24 H28 B F2 N3 -","- C384 H448 B16 F32 N48 -","16","2","","He, Jiang; Wang, Songmeng; Song, Xiu-Fang; Chang, Xiaoyong; Zou, Chao; Lu, Wei; Li, Kai","Tetradentate carbene-anilido boron complexes: highly fluorescent dyes with larger Stokes shifts than BODIPY analogues.","Chemical communications (Cambridge, England)","2024","60","81","11524","11527","10.1039/d4cc03944k","","x-ray","1.34138","GaKα","","0.0414","0.0348","","","0.0938","0.0988","","","","","","1.022","","","","has coordinates","296275","2024-12-06","15:04:30",""
"7133726","7.7848","0.0005","18.2595","0.001","7.9179","0.0005","90","","108.873","0.004","90","","1064.99","0.12","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 B F2 N3 -","- C12 H10 B F2 N3 -","- C48 H40 B4 F8 N12 -","4","1","","He, Jiang; Wang, Songmeng; Song, Xiu-Fang; Chang, Xiaoyong; Zou, Chao; Lu, Wei; Li, Kai","Tetradentate carbene-anilido boron complexes: highly fluorescent dyes with larger Stokes shifts than BODIPY analogues.","Chemical communications (Cambridge, England)","2024","60","81","11524","11527","10.1039/d4cc03944k","","x-ray","1.34138","GaKα","","0.0452","0.0431","","","0.1129","0.1143","","","","","","1.061","","","","has coordinates","296275","2024-12-06","15:04:31",""
"7133727","13.6165","0.0005","14.8008","0.0005","12.2884","0.0004","90","","108.416","0.002","90","","2349.71","0.14","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 B F2 N3 -","- C28 H30 B F2 N3 -","- C112 H120 B4 F8 N12 -","4","1","","He, Jiang; Wang, Songmeng; Song, Xiu-Fang; Chang, Xiaoyong; Zou, Chao; Lu, Wei; Li, Kai","Tetradentate carbene-anilido boron complexes: highly fluorescent dyes with larger Stokes shifts than BODIPY analogues.","Chemical communications (Cambridge, England)","2024","60","81","11524","11527","10.1039/d4cc03944k","","x-ray","1.34138","GaKα","","0.04","0.0364","","","0.0987","0.1016","","","","","","1.047","","","","has coordinates","296275","2024-12-06","15:04:31",""
"7133728","6.8997","0.0005","9.3476","0.0007","20.3994","0.0015","90","","99.599","0.002","90","","1297.25","0.17","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 B F2 N3 -","- C16 H12 B F2 N3 -","- C64 H48 B4 F8 N12 -","4","1","","He, Jiang; Wang, Songmeng; Song, Xiu-Fang; Chang, Xiaoyong; Zou, Chao; Lu, Wei; Li, Kai","Tetradentate carbene-anilido boron complexes: highly fluorescent dyes with larger Stokes shifts than BODIPY analogues.","Chemical communications (Cambridge, England)","2024","60","81","11524","11527","10.1039/d4cc03944k","","x-ray","1.34138","GaKα","","0.0665","0.0625","","","0.1713","0.1763","","","","","","1.151","","","","has coordinates","296275","2024-12-06","15:04:31",""
"7133729","8.6701","0.001","12.854","0.0015","15.977","0.002","88.712","0.004","86.426","0.004","71.457","0.004","1684.8","0.4","110","","110","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H47 Cu3 N6 -","- C34 H47 Cu3 N6 -","- C68 H94 Cu6 N12 -","2","1","","Dowling, Keri; Kruczyński, Tomasz; Dutta, Sanjay; Le, D. P. Ngan; Gozem, Samer; McMillen, Colin D.; Bhuvanesh, Nattamai; Stollenz, Michael","Facile interconversion of mesitylcopper into a CuMes-Cu<sub>2</sub>bis(amidinate) triangle and a tetracuprous Möbius strip.","Chemical communications (Cambridge, England)","2024","60","79","11136","11139","10.1039/d4cc03935a","","","0.71073","MoKα","","0.0902","0.0682","","","0.1838","0.2074","","","","","","1.04","","","","has coordinates","295141","2024-10-06","06:07:40",""
"7133730","7.9087","0.0002","10.6914","0.0003","29.777","0.0008","90","","90","","90","","2517.8","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 N6 -","- C25 H38 N6 -","- C100 H152 N24 -","4","1","","Dowling, Keri; Kruczyński, Tomasz; Dutta, Sanjay; Le, D. P. Ngan; Gozem, Samer; McMillen, Colin D.; Bhuvanesh, Nattamai; Stollenz, Michael","Facile interconversion of mesitylcopper into a CuMes-Cu<sub>2</sub>bis(amidinate) triangle and a tetracuprous Möbius strip.","Chemical communications (Cambridge, England)","2024","60","79","11136","11139","10.1039/d4cc03935a","","","1.54178","CuKα","","0.0424","0.0379","","","0.1019","0.1132","","","","","","1.154","","","","has coordinates","295141","2024-10-06","06:07:54",""
"7133731","12.4666","0.0003","15.477","0.0004","17.6182","0.0004","91.7413","0.0014","90.1643","0.0014","110.609","0.0013","3180.01","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H88 Cu4 N12 -","- C64 H88 Cu4 N12 -","- C128 H176 Cu8 N24 -","2","1","","Dowling, Keri; Kruczyński, Tomasz; Dutta, Sanjay; Le, D. P. Ngan; Gozem, Samer; McMillen, Colin D.; Bhuvanesh, Nattamai; Stollenz, Michael","Facile interconversion of mesitylcopper into a CuMes-Cu<sub>2</sub>bis(amidinate) triangle and a tetracuprous Möbius strip.","Chemical communications (Cambridge, England)","2024","60","79","11136","11139","10.1039/d4cc03935a","","","1.54178","CuKα","","0.0908","0.0669","","","0.1274","0.1464","","","","","","1.172","","","","has coordinates","295141","2024-10-06","06:08:05",""
"7133732","9.4476","0.0003","18.2347","0.0008","18.4506","0.0007","90","","103.485","0.001","90","","3090.9","0.2","250","","250","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H66 Fe2 N18 O2 Pd2 -","- C64 H66 Fe2 N18 O2 Pd2 -","- C128 H132 Fe4 N36 O4 Pd4 -","2","0.5","","Yao, Nian-Tao; Liu, Qiang; Ma, Jun-Wei; Du, Xiu-Mei; Ru, Jing; Jiang, Jiao-Jiao; Zhao, Liang; Meng, Yin-Shan","Manipulating Fe(II) spin states to achieve higher anti-tumor cell activities in multinuclear complexes.","Chemical communications (Cambridge, England)","2024","60","82","11710","11713","10.1039/d4cc03092c","","","0.71073","MoKα","","0.0534","0.0317","","","0.0702","0.081","","","","","","1.025","","","","has coordinates","296340","2024-12-06","15:39:03",""
"7133733","9.3591","0.0002","18.1555","0.0005","17.867","0.0004","90","","101.775","0.001","90","","2972.06","0.12","70","","70","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H66 Fe2 N18 O2 Pd2 -","- C64 H66 Fe2 N18 O2 Pd2 -","- C128 H132 Fe4 N36 O4 Pd4 -","2","0.5","","Yao, Nian-Tao; Liu, Qiang; Ma, Jun-Wei; Du, Xiu-Mei; Ru, Jing; Jiang, Jiao-Jiao; Zhao, Liang; Meng, Yin-Shan","Manipulating Fe(II) spin states to achieve higher anti-tumor cell activities in multinuclear complexes.","Chemical communications (Cambridge, England)","2024","60","82","11710","11713","10.1039/d4cc03092c","","","0.71073","MoKα","","0.0504","0.0331","","","0.0697","0.0773","","","","","","1.02","","","","has coordinates","296340","2024-12-06","15:39:03",""
"7133734","9.2363","0.0009","18.5613","0.0018","17.5151","0.0018","90","","100.831","0.003","90","","2949.3","0.5","294.8","","294.8","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H62 Fe2 N18 O2 Pd2 -","- C62 H62 Fe2 N18 O2 Pd2 -","- C124 H124 Fe4 N36 O4 Pd4 -","2","0.5","","Yao, Nian-Tao; Liu, Qiang; Ma, Jun-Wei; Du, Xiu-Mei; Ru, Jing; Jiang, Jiao-Jiao; Zhao, Liang; Meng, Yin-Shan","Manipulating Fe(II) spin states to achieve higher anti-tumor cell activities in multinuclear complexes.","Chemical communications (Cambridge, England)","2024","60","82","11710","11713","10.1039/d4cc03092c","","","0.71073","MoKα","","0.0468","0.0312","","","0.0671","0.0735","","","","","","1.061","","","","has coordinates","296340","2024-12-06","15:39:03",""
"7133735","24.9659","0.0016","24.9659","0.0016","7.1345","0.0007","90","","90","","90","","4446.9","0.6","143","2","143","","","","","","","","","5","I -4","I -4","82","","","","- C45 H44 N8 O14 S4 -","- C45 H44 N8 O14 S4 -","- C180 H176 N32 O56 S16 -","4","0.5","","Bai, Xiang-Tian; Cao, Li-Hui; Yang, Yan; Chen, Xu-Yong","Multi-interpenetration driven ultra-robust ionic HOF with high proton conductivity for DMFCs.","Chemical communications (Cambridge, England)","2024","60","81","11576","11579","10.1039/d4cc03957b","","","0.71073","MoKα","","0.0577","0.0476","","","0.1128","0.1183","","","","","","1.068","","","","has coordinates,has disorder","296273","2024-12-06","15:03:46",""
"7133736","10.9993","0.0007","14.9425","0.0012","14.7473","0.001","90","","94.972","0.004","90","","2414.7","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H20 F N3 O3 -","- C30 H20 F N3 O3 -","- C120 H80 F4 N12 O12 -","4","2","","Sreelekha, Mariswamy K.; Jijin, Robert K.; Nayak, Kalinga H.; Babu, Beneesh P.","Base-promoted multicomponent synthesis of 1,2,4-triazole-based hybrids from 1,3-diones, β-nitrostyrenes, and hydrazones.","Chemical communications (Cambridge, England)","2024","60","82","11718","11721","10.1039/d4cc03709j","","","0.71073","MoKα","","0.1455","0.0688","","","0.1659","0.2218","","","","","","0.984","","","","has coordinates","296336","2024-12-06","15:37:50",""
"7133737","19.1356","0.0011","6.0329","0.0003","8.5434","0.0006","90","","95.954","0.007","90","","980.96","0.1","293","2","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H8 S -","- C15 H8 S -","- C60 H32 S4 -","4","1","","Kumagai, Shohei; Ishida, Takumi; Kakiuchi, Shin; Yamagishi, Masakazu; Sato, Hiroyasu; Ishii, Hiroyuki; Nishihara, Yasushi; Okamoto, Toshihiro","Thiophene-fused fulminenes (FuDTs): promising platforms for high-mobility organic semiconductors with a zigzag shape.","Chemical communications (Cambridge, England)","2024","60","79","11152","11155","10.1039/d4cc02767a","","x-ray","1.54184","CuKα","","0.1472","0.1277","","","0.372","0.3999","","","","","","1.661","","","","has coordinates","295142","2024-10-06","06:08:55",""
"7133738","18.7888","0.0018","7.9386","0.0008","6.7725","0.0006","90","","92.602","0.01","90","","1009.12","0.17","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 S2 -","- C30 H16 S2 -","- C60 H32 S4 -","2","0.5","","Kumagai, Shohei; Ishida, Takumi; Kakiuchi, Shin; Yamagishi, Masakazu; Sato, Hiroyasu; Ishii, Hiroyuki; Nishihara, Yasushi; Okamoto, Toshihiro","Thiophene-fused fulminenes (FuDTs): promising platforms for high-mobility organic semiconductors with a zigzag shape.","Chemical communications (Cambridge, England)","2024","60","79","11152","11155","10.1039/d4cc02767a","","x-ray","1.54184","CuKα","","0.1442","0.0786","","","0.157","0.186","","","","","","1.131","","","","has coordinates,has disorder","295142","2024-10-06","06:09:25",""
"7133739","9.185","0.008","10.136","0.008","10.439","0.009","80.364","0.009","67.002","0.009","73.546","0.01","856.2","1.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H17 N3 -","- C23 H17 N3 -","- C46 H34 N6 -","2","1","","Cao, Penghui; Fan, Guangping; Zhao, Xiaofei; Ren, Xinyu; Wang, Yuru; Wang, Yuying; Gao, Qinghe","Regioselective synthesis of 3,4-diarylpyrimido[1,2-<i>b</i>]indazole derivatives enabled by iron-catalyzed ring-opening of styrene oxides.","Chemical communications (Cambridge, England)","2024","60","82","11742","11745","10.1039/d4cc03910f","","","0.71073","MoKα","","0.1262","0.0626","","","0.1555","0.1989","","","","","","0.94","","","","has coordinates","296341","2024-12-06","15:39:15",""
"7133740","28.29","0.004","9.2132","0.0014","20.312","0.003","90","","103.531","0.004","90","","5147.2","1.3","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","SK-N3-1","","- C31 H28 N2 O2 S -","- C31 H28 N2 O2 S -","- C248 H224 N16 O16 S8 -","8","1","","Kar, Subhradeep; Maharana, Prabhat Kumar; Maity, Swagata; Trivedi, Vishal; Punniyamurthy, Tharmalingam","Copper-catalyzed (4+3)-cycloaddition of 4-indolylcarbinols with aziridines: stereoselective synthesis of azepinoindoles.","Chemical communications (Cambridge, England)","2024","60","83","12008","12011","10.1039/d4cc03544e","","","0.71073","MoKα","","0.1057","0.057","","","0.1166","0.1526","","","","","","1.131","","","","has coordinates","296268","2024-12-06","15:01:44",""
"7133741","8.3606","0.0012","10.4276","0.0016","15.974","0.002","92.585","0.004","105.246","0.004","95.304","0.004","1334.4","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","SK-N3-74","","- C31 H27 Br N2 O2 S -","- C31 H27 Br N2 O2 S -","- C62 H54 Br2 N4 O4 S2 -","2","1","","Kar, Subhradeep; Maharana, Prabhat Kumar; Maity, Swagata; Trivedi, Vishal; Punniyamurthy, Tharmalingam","Copper-catalyzed (4+3)-cycloaddition of 4-indolylcarbinols with aziridines: stereoselective synthesis of azepinoindoles.","Chemical communications (Cambridge, England)","2024","60","83","12008","12011","10.1039/d4cc03544e","","","0.71073","MoKα","","0.0403","0.0329","","","0.1025","0.1149","","","","","","0.763","","","","has coordinates","296268","2024-12-06","15:01:45",""
"7133742","19.745","0.002","7.9099","0.0009","17.683","0.002","90","","90","","90","","2761.7","0.5","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C37 H24 N2 O4 Zn -","- C37 H24 N2 O4 Zn -","- C148 H96 N8 O16 Zn4 -","4","1","","Jena, Rohan; Rahimi, Faruk Ahamed; Nath Das, Tarak; Mondal, Soumya Kanti; Chauhan, Jatin; Maji, Tapas Kumar","Modulating photophysical properties in a flexible porous host by regulating guest-assisted charge transfer interactions.","Chemical communications (Cambridge, England)","2024","60","86","12581","12584","10.1039/d4cc03630a","","","0.71073","MoKα","","0.0429","0.0348","","","0.088","0.0927","","","","","","1.049","","","","has coordinates","296261","2024-12-06","14:57:01",""
"7133743","7.2655","0.0002","20.2802","0.0006","18.621","0.0006","90","","93.122","0.001","90","","2739.65","0.14","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H23 N3 O4 Zn -","- C36 H23 N3 O4 Zn -","- C144 H92 N12 O16 Zn4 -","4","0.5","","Jena, Rohan; Rahimi, Faruk Ahamed; Nath Das, Tarak; Mondal, Soumya Kanti; Chauhan, Jatin; Maji, Tapas Kumar","Modulating photophysical properties in a flexible porous host by regulating guest-assisted charge transfer interactions.","Chemical communications (Cambridge, England)","2024","60","86","12581","12584","10.1039/d4cc03630a","","","0.71073","MoKα","","0.0629","0.0583","","","0.1729","0.1778","","","","","","1.082","","","","has coordinates","296261","2024-12-06","14:57:11",""
"7133744","7.9306","0.0003","17.5614","0.0008","20.1609","0.0009","90","","100.522","0.002","90","","2760.6","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H22 N2 O4 S Zn -","- C36 H22 N2 O4 S Zn -","- C144 H88 N8 O16 S4 Zn4 -","4","1","","Jena, Rohan; Rahimi, Faruk Ahamed; Nath Das, Tarak; Mondal, Soumya Kanti; Chauhan, Jatin; Maji, Tapas Kumar","Modulating photophysical properties in a flexible porous host by regulating guest-assisted charge transfer interactions.","Chemical communications (Cambridge, England)","2024","60","86","12581","12584","10.1039/d4cc03630a","","","0.71073","MoKα","","0.1325","0.0592","","","0.1242","0.1613","","","","","","1.009","","","","has coordinates","296261","2024-12-06","14:57:21",""
"7133745","19.7165","0.0005","7.9538","0.0002","17.5159","0.0004","90","","90","","90","","2746.86","0.12","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C36 H22 N2 O5 Zn -","- C36 H22 N2 O5 Zn -","- C144 H88 N8 O20 Zn4 -","4","1","","Jena, Rohan; Rahimi, Faruk Ahamed; Nath Das, Tarak; Mondal, Soumya Kanti; Chauhan, Jatin; Maji, Tapas Kumar","Modulating photophysical properties in a flexible porous host by regulating guest-assisted charge transfer interactions.","Chemical communications (Cambridge, England)","2024","60","86","12581","12584","10.1039/d4cc03630a","","","0.71073","MoKα","","0.0386","0.0302","","","0.073","0.077","","","","","","1.032","","","","has coordinates","296261","2024-12-06","14:57:25",""
"7133746","37.7457","0.0003","37.7457","0.0003","37.7457","0.0003","90","","90","","90","","53777.7","0.7","298","","298","","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","PNC[Co-cbpm-Co]","bis((2,3,9,10,16,17,23,24-octakis(2',6'-di-isopropylphenoxy)phthalocyaninato)-cobalt) 4,4'-bipyrimidine unknown solvate","","- C264 H286 Co2 N20 O16 -","- C264 H284 Co2 N20 O16 -","- C1584 H1704 Co12 N120 O96 -","6","0.125","","Stamos, Nikolaos-Angelos; McMonagle, Charles J.; Turner, Gemma F.; Allan, David R.; Warren, Mark R.; Warren, Anna J.; McKeown, Neil B.; Moggach, Stephen A.","Ligand effects on gas adsorption in nanoporous phthalocyanine crystals.","Chemical communications (Cambridge, England)","2024","60","81","11508","11511","10.1039/d4cc03896g","","","0.6889","synchrotron","","0.1655","0.1283","","","0.3295","0.359","","","","","","1.278","","","","has coordinates,has disorder","296276","2024-12-06","15:08:30",""
"7133747","37.9111","0.0002","37.9111","0.0002","37.9111","0.0002","90","","90","","90","","54487.8","0.5","180","","180","","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","PNC[Co-cbpm-Co-cCO]","bis(carbonyl(2,3,9,10,16,17,23,24- octakis(2',6'-di-isopropylphenoxy)phthalocyaninato)-cobalt) 4,4'-bipyrimidine unknown solvate","","- C264.62 H286 Co2 N20 O16.62 -","- C264.62 H286.997 Co2 N20 O16.62 -","- C1587.72 H1721.98 Co12 N120 O99.72 -","6","0.125","","Stamos, Nikolaos-Angelos; McMonagle, Charles J.; Turner, Gemma F.; Allan, David R.; Warren, Mark R.; Warren, Anna J.; McKeown, Neil B.; Moggach, Stephen A.","Ligand effects on gas adsorption in nanoporous phthalocyanine crystals.","Chemical communications (Cambridge, England)","2024","60","81","11508","11511","10.1039/d4cc03896g","","","0.6889","synchrotron","","0.1312","0.1037","","","0.3374","0.3639","","","","","","1.454","","","","has coordinates,has disorder","296276","2024-12-06","15:08:30",""
"7133748","37.8873","0.0002","37.8873","0.0002","37.8873","0.0002","90","","90","","90","","54385.2","0.5","180","","180","","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","PNC[Co-cbpm-Co-cCO]","bis(carbonyl(2,3,9,10,16,17,23,24- octakis(2',6'-di-isopropylphenoxy)phthalocyaninato)-cobalt) 4,4'-bipyrimidine unknown solvate","","- C264.62 H286 Co2 N20 O16.62 -","- C264.62 H286.995 Co2 N20 O16.62 -","- C1587.72 H1721.97 Co12 N120 O99.72 -","6","0.125","","Stamos, Nikolaos-Angelos; McMonagle, Charles J.; Turner, Gemma F.; Allan, David R.; Warren, Mark R.; Warren, Anna J.; McKeown, Neil B.; Moggach, Stephen A.","Ligand effects on gas adsorption in nanoporous phthalocyanine crystals.","Chemical communications (Cambridge, England)","2024","60","81","11508","11511","10.1039/d4cc03896g","","","0.6889","synchrotron","","0.1343","0.1053","","","0.3316","0.357","","","","","","1.4","","","","has coordinates,has disorder","296276","2024-12-06","15:08:30",""
"7133749","37.7086","0.0003","37.7086","0.0003","37.7086","0.0003","90","","90","","90","","53619.3","0.7","298","","298","","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","PNC[Co-cbipy-Co]","bis((2,3,9,10,16,17,23,24-octakis(2',6'- di-isopropylphenoxy)phthalocyaninato)-cobalt) 4,4'-bipyridine unknown solvate","","- C264 H286 Co2 N20 O16 -","- C264 H274.015 Co2 N20 O16 -","- C1584 H1644.09 Co12 N120 O96 -","6","0.125","","Stamos, Nikolaos-Angelos; McMonagle, Charles J.; Turner, Gemma F.; Allan, David R.; Warren, Mark R.; Warren, Anna J.; McKeown, Neil B.; Moggach, Stephen A.","Ligand effects on gas adsorption in nanoporous phthalocyanine crystals.","Chemical communications (Cambridge, England)","2024","60","81","11508","11511","10.1039/d4cc03896g","","","0.6889","synchrotron","","0.1233","0.0864","","","0.2651","0.2927","","","","","","1.007","","","","has coordinates,has disorder","296276","2024-12-06","15:08:30",""
"7133750","37.8156","0.0002","37.8156","0.0002","37.8156","0.0002","90","","90","","90","","54077","0.5","298","","298","","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","PNC[Co-cbipy-Co]","'bis((2,3,9,10,16,17,23,24-octakis(2',6'- di-isopropylphenoxy)phthalocyaninato)-cobalt) 4,4'-bipyridine unknown solvate","","- C266 H288 Co2 N18 O16 -","- C266 H292.016 Co2 N18 O16 -","- C1596 H1752.1 Co12 N108 O96 -","6","0.125","","Stamos, Nikolaos-Angelos; McMonagle, Charles J.; Turner, Gemma F.; Allan, David R.; Warren, Mark R.; Warren, Anna J.; McKeown, Neil B.; Moggach, Stephen A.","Ligand effects on gas adsorption in nanoporous phthalocyanine crystals.","Chemical communications (Cambridge, England)","2024","60","81","11508","11511","10.1039/d4cc03896g","","","0.6889","synchrotron","","0.1316","0.093","","","0.2788","0.3121","","","","","","1.101","","","","has coordinates,has disorder","296276","2024-12-06","15:08:30",""
"7133751","37.673","0.0005","37.673","0.0005","37.673","0.0005","90","","90","","90","","53467.6","1.2","298","","298","","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","PNC[Co-cbpm-Co-cNO]","bis(nitrosyl(2,3,9,10,16,17,23,24- octakis(2',6'-di-isopropylphenoxy)phthalocyaninato)-cobalt) 4,4'-bipyrimidine unknown solvate","","- C264 H286 Co2 N22 O18 -","- C264 H288 Co2 N22 O18 -","- C1584 H1728 Co12 N132 O108 -","6","0.125","","Stamos, Nikolaos-Angelos; McMonagle, Charles J.; Turner, Gemma F.; Allan, David R.; Warren, Mark R.; Warren, Anna J.; McKeown, Neil B.; Moggach, Stephen A.","Ligand effects on gas adsorption in nanoporous phthalocyanine crystals.","Chemical communications (Cambridge, England)","2024","60","81","11508","11511","10.1039/d4cc03896g","","","0.6889","synchrotron","","0.1769","0.122","","","0.3273","0.3693","","","","","","1.218","","","","has coordinates,has disorder","296276","2024-12-06","15:08:30",""
"7133752","37.9112","0.0002","37.9112","0.0002","37.9112","0.0002","90","","90","","90","","54488.2","0.5","180","","180","","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","PNC[Co-cbpm-Co-cNO]","bis(nitrosyl(2,3,9,10,16,17,23,24- octakis(2',6'-di-isopropylphenoxy)phthalocyaninato)-cobalt) 4,4'-bipyrimidine unknown solvate","","- C264 H286 Co2 N22 O18 -","- C264 H288 Co2 N22 O18 -","- C1584 H1728 Co12 N132 O108 -","6","0.125","","Stamos, Nikolaos-Angelos; McMonagle, Charles J.; Turner, Gemma F.; Allan, David R.; Warren, Mark R.; Warren, Anna J.; McKeown, Neil B.; Moggach, Stephen A.","Ligand effects on gas adsorption in nanoporous phthalocyanine crystals.","Chemical communications (Cambridge, England)","2024","60","81","11508","11511","10.1039/d4cc03896g","","","0.6889","synchrotron","","0.129","0.1005","","","0.3206","0.3487","","","","","","1.391","","","","has coordinates,has disorder","296276","2024-12-06","15:08:30",""
"7133753","37.9438","0.0002","37.9438","0.0002","37.9438","0.0002","90","","90","","90","","54628.9","0.5","180","","180","","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","PNC[Co-cbipy-Co-vCO]","bis(carbonyl(2,3,9,10,16,17,23,24- octakis(2',6'-di-isopropylphenoxy)phthalocyaninato)-cobalt) 4,4'-bipyridine unknown solvate","","- C266.74 H288 Co2 N18 O16.74 -","- C266.742 H292.008 Co2 N18 O16.7424 -","- C1600.45 H1752.05 Co12 N108 O100.454 -","6","0.125","","Stamos, Nikolaos-Angelos; McMonagle, Charles J.; Turner, Gemma F.; Allan, David R.; Warren, Mark R.; Warren, Anna J.; McKeown, Neil B.; Moggach, Stephen A.","Ligand effects on gas adsorption in nanoporous phthalocyanine crystals.","Chemical communications (Cambridge, England)","2024","60","81","11508","11511","10.1039/d4cc03896g","","","0.6889","synchrotron","","0.1133","0.092","","","0.2419","0.2601","","","","","","1.054","","","","has coordinates,has disorder","296276","2024-12-06","15:08:30",""
"7133754","37.7852","0.0002","37.7852","0.0002","37.7852","0.0002","90","","90","","90","","53946.7","0.5","298","","298","","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","PNC[Co-cbipy-Co-vNO]","bis(nitrosyl(2,3,9,10,16,17,23,24- octakis(2',6'-di-isopropylphenoxy)phthalocyaninato)-cobalt)","","- C266 H288 Co2 N20 O18 -","- C266 H292.008 Co2 N20 O18 -","- C1596 H1752.05 Co12 N120 O108 -","6","0.125","","Stamos, Nikolaos-Angelos; McMonagle, Charles J.; Turner, Gemma F.; Allan, David R.; Warren, Mark R.; Warren, Anna J.; McKeown, Neil B.; Moggach, Stephen A.","Ligand effects on gas adsorption in nanoporous phthalocyanine crystals.","Chemical communications (Cambridge, England)","2024","60","81","11508","11511","10.1039/d4cc03896g","","","0.6889","synchrotron","","0.121","0.0947","","","0.2918","0.3145","","","","","","1.093","","","","has coordinates,has disorder","296276","2024-12-06","15:08:30",""
"7133755","37.9704","0.0002","37.9704","0.0002","37.9704","0.0002","90","","90","","90","","54743.9","0.5","180","","180","","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","PNC[Co-cbipy-Co-vNO]","bis(nitrosyl(2,3,9,10,16,17,23,24- octakis(2',6'-di-isopropylphenoxy)phthalocyaninato)-cobalt) 4,4'-bipyridine unknown solvate","","- C266 H288 Co2 N20 O18 -","- C266 H296 Co2 N20 O18 -","- C1596 H1776 Co12 N120 O108 -","6","0.125","","Stamos, Nikolaos-Angelos; McMonagle, Charles J.; Turner, Gemma F.; Allan, David R.; Warren, Mark R.; Warren, Anna J.; McKeown, Neil B.; Moggach, Stephen A.","Ligand effects on gas adsorption in nanoporous phthalocyanine crystals.","Chemical communications (Cambridge, England)","2024","60","81","11508","11511","10.1039/d4cc03896g","","","0.6889","synchrotron","","0.1067","0.0873","","","0.2399","0.2555","","","","","","1.092","","","","has coordinates,has disorder","296276","2024-12-06","15:08:30",""
"7133756","37.8533","0.0002","37.8533","0.0002","37.8533","0.0002","90","","90","","90","","54238.9","0.5","180","","180","","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","PNC[Co-cbipy-Co]","bis((2,3,9,10,16,17,23,24-octakis(2',6'- di-isopropylphenoxy)phthalocyaninato)-cobalt) 4,4'-bipyridine unknown solvate","","- C266 H288 Co2 N18 O16 -","- C266 H282.014 Co2 N18 O16 -","- C1596 H1692.09 Co12 N108 O96 -","6","0.125","","Stamos, Nikolaos-Angelos; McMonagle, Charles J.; Turner, Gemma F.; Allan, David R.; Warren, Mark R.; Warren, Anna J.; McKeown, Neil B.; Moggach, Stephen A.","Ligand effects on gas adsorption in nanoporous phthalocyanine crystals.","Chemical communications (Cambridge, England)","2024","60","81","11508","11511","10.1039/d4cc03896g","","","0.6889","synchrotron","","0.1393","0.1015","","","0.2989","0.3322","","","","","","1.108","","","","has coordinates,has disorder","296276","2024-12-06","15:08:30",""
"7133757","17.2223","0.0004","7.2801","0.0001","12.1354","0.0002","90","","90","","90","","1521.54","0.05","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","guanidinium cyclohexanemonosulfonate 2-bromopropiophenone","","- C23 H43 F N6 O7 S2 -","- C14 H34 N6 O6 S2 -","- C28 H68 N12 O12 S4 -","2","0.25","","Dillon, Alexandra M.; Shtukenberg, Alexander G.; Demkiw, Krystyna M.; Woerpel, K. A.; Ward, Michael D.","Hydrogen-bonded frameworks for conformational analysis of reactive substrates.","Chemical communications (Cambridge, England)","2024","60","82","11770","11773","10.1039/d4cc03430a","","x-ray","1.54184","CuKα","","0.0414","0.0388","","","0.1135","0.1161","","","","","","1.097","","","","has coordinates","296338","2024-12-06","15:38:22",""
"7133758","7.9767","0.0008","21.0642","0.0019","7.4827","0.0007","90","","90","","90","","1257.3","0.2","100","2","100","2","","","","","","","","6","P n n m","-P 2 2n","58","23mdw6d","guanidinium 1,5-naphthalenedisulfonate 2-fluoropropiophenone","","- C21 H27 F N6 O7 S2 -","- C21 H27 F N6 O7 S2 -","- C42 H54 F2 N12 O14 S4 -","2","0.25","","Dillon, Alexandra M.; Shtukenberg, Alexander G.; Demkiw, Krystyna M.; Woerpel, K. A.; Ward, Michael D.","Hydrogen-bonded frameworks for conformational analysis of reactive substrates.","Chemical communications (Cambridge, England)","2024","60","82","11770","11773","10.1039/d4cc03430a","","x-ray","0.71073","MoKα","","0.0994","0.0843","","","0.2051","0.215","","","","","","1.059","","","","has coordinates,has disorder","296338","2024-12-06","15:38:24",""
"7133759","7.6588","0.0005","20.9928","0.0011","8.031","0.0005","90","","90.117","0.004","90","","1291.22","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","guanidinium 1,5-naphthalenedisulfonate 2-chloropropiophenone","","- C21 H27 Cl N6 O7 S2 -","- C21 H27 Cl N6 O7 S2 -","- C42 H54 Cl2 N12 O14 S4 -","2","0.5","","Dillon, Alexandra M.; Shtukenberg, Alexander G.; Demkiw, Krystyna M.; Woerpel, K. A.; Ward, Michael D.","Hydrogen-bonded frameworks for conformational analysis of reactive substrates.","Chemical communications (Cambridge, England)","2024","60","82","11770","11773","10.1039/d4cc03430a","","x-ray","0.71073","MoKα","","0.17","0.1588","","","0.3972","0.4046","","","","","","1.12","","","","has coordinates,has disorder","296338","2024-12-06","15:38:24",""
"7133760","7.7603","0.0006","21.0415","0.0017","7.9327","0.0006","90","","99.55","0.004","90","","1277.37","0.17","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","AD-II-143-A1","","","- C21 H27 Br N6 O7 S2 -","- C21 H27 Br N6 O7 S2 -","- C42 H54 Br2 N12 O14 S4 -","2","1","","Dillon, Alexandra M.; Shtukenberg, Alexander G.; Demkiw, Krystyna M.; Woerpel, K. A.; Ward, Michael D.","Hydrogen-bonded frameworks for conformational analysis of reactive substrates.","Chemical communications (Cambridge, England)","2024","60","82","11770","11773","10.1039/d4cc03430a","","x-ray","0.71073","MoKα","","0.0509","0.0483","","","0.1253","0.1269","","","","","","1.093","","","","has coordinates","296338","2024-12-06","15:38:24",""
"7133761","17.462","0.0007","8.6851","0.0003","19.081","0.0007","90","","99.365","0.002","90","","2855.24","0.18","130","2","130","2","","","","","","","","6","P 1 n 1","P -2yac","7","","guanidinium cyclohexanemonosulfonate 2-bromopropiophenone","","- C37 H77 Br N12 O13 S4 -","- C37 H77 Br N12 O13 S4 -","- C74 H154 Br2 N24 O26 S8 -","2","1","","Dillon, Alexandra M.; Shtukenberg, Alexander G.; Demkiw, Krystyna M.; Woerpel, K. A.; Ward, Michael D.","Hydrogen-bonded frameworks for conformational analysis of reactive substrates.","Chemical communications (Cambridge, England)","2024","60","82","11770","11773","10.1039/d4cc03430a","","x-ray","1.54178","CuKα","","0.1392","0.1263","","","0.3445","0.3666","","","","","","1.588","","","","has coordinates","296338","2024-12-06","15:38:24",""
"7133762","7.3252","0.0005","12.7523","0.0009","30.161","0.002","96.337","0.004","94.485","0.004","93.536","0.004","2784.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","guanidinium 4,4?-biphenyldisulfonate 2-fluoropropiophenone","","- C23 H29 F N6 O7 S2 -","- C23 H29 F N6 O7 S2 -","- C92 H116 F4 N24 O28 S8 -","4","2","","Dillon, Alexandra M.; Shtukenberg, Alexander G.; Demkiw, Krystyna M.; Woerpel, K. A.; Ward, Michael D.","Hydrogen-bonded frameworks for conformational analysis of reactive substrates.","Chemical communications (Cambridge, England)","2024","60","82","11770","11773","10.1039/d4cc03430a","","x-ray","0.71073","MoKα","","0.1782","0.1468","","","0.2969","0.3125","","","","","","1.131","","","","has coordinates","296338","2024-12-06","15:38:24",""
"7133763","31.674","0.003","11.6225","0.0012","8.2592","0.0008","90","","101.032","0.006","90","","2984.3","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","guanidinium 4,4?-biphenyldisulfonate 2-bromopropiophenone","","- C23 H33 Br N6 O9 S2 -","- C23 H33 Br N6 O9 S2 -","- C92 H132 Br4 N24 O36 S8 -","4","1","","Dillon, Alexandra M.; Shtukenberg, Alexander G.; Demkiw, Krystyna M.; Woerpel, K. A.; Ward, Michael D.","Hydrogen-bonded frameworks for conformational analysis of reactive substrates.","Chemical communications (Cambridge, England)","2024","60","82","11770","11773","10.1039/d4cc03430a","","x-ray","0.71073","MoKα","","0.1358","0.0831","","","0.1733","0.1996","","","","","","1.053","","","","has coordinates,has disorder","296338","2024-12-06","15:38:24",""
"7133764","17.5076","0.0008","8.6683","0.0004","19.0441","0.0008","90","","99.021","0.003","90","","2854.4","0.2","130","2","130","2","","","","","","","","6","P 1 n 1","P -2yac","7","","guanidinium cyclohexanemonosulfonate 2-chloropropiophenone","","- C37 H77 Cl N12 O13 S4 -","- C37 H77 Cl N12 O13 S4 -","- C74 H154 Cl2 N24 O26 S8 -","2","1","","Dillon, Alexandra M.; Shtukenberg, Alexander G.; Demkiw, Krystyna M.; Woerpel, K. A.; Ward, Michael D.","Hydrogen-bonded frameworks for conformational analysis of reactive substrates.","Chemical communications (Cambridge, England)","2024","60","82","11770","11773","10.1039/d4cc03430a","","x-ray","1.54184","CuKα","","0.0886","0.0844","","","0.2305","0.2368","","","","","","1.048","","","","has coordinates,has disorder","296338","2024-12-06","15:38:24",""
"7133765","5.6438","0.0002","35.5926","0.0012","11.0653","0.0004","90","","95.787","0.002","90","","2211.44","0.13","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 N4 O5 S -","- C21 H26 N4 O5 S -","- C84 H104 N16 O20 S4 -","4","1","","Hanna, Fergal E.; Hunter, Christopher A.","Polarisation effects on the H-bond acceptor properties of sulfonamides.","Chemical communications (Cambridge, England)","2024","60","82","11750","11753","10.1039/d4cc03530e","","","1.54178","CuKα","","0.0378","0.0326","","","0.0796","0.0835","","","","","","1.032","","","","has coordinates","296339","2024-12-06","15:38:44",""
"7133766","11.4138","0.0011","11.294","0.0011","15.5406","0.0013","90","","97.968","0.003","90","","1984","0.3","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 F6 N O2 -","- C23 H17 F6 N O2 -","- C92 H68 F24 N4 O8 -","4","1","","Priyanka, Chiliveru; Madhu, Desagoni; Gangadhar, Palivela Siva; Giribabu, Lingamallu; Punna, Nagender","Cross-conjugated vinylogous annulation of π-CF<sub>3</sub>-allyl Pd-complexes with 4-methyl-3-trifluoroacetyl-quinolones.","Chemical communications (Cambridge, England)","2024","60","84","12233","12236","10.1039/d4cc03953j","","","0.71073","MoKα","","0.1139","0.0546","","","0.1164","0.1442","","","","","","1.03","","","","has coordinates","296321","2024-12-06","15:30:21",""
"7133767","11.1502","0.0017","24.938","0.004","14.546","0.002","90","","100.657","0.002","90","","3975","1","123.2","","123.2","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H30 Cl2 Ir N3 O3 S2 -","- C44 H30 Cl2 Ir N3 O3 S2 -","- C176 H120 Cl8 Ir4 N12 O12 S8 -","4","1","","Tidma, Sirawit; Sutton, Gregory D.; Dang, Linh T. M.; Jiang, Chenggang; Teets, Thomas S.","Dual-emitting cyclometalated Ir(III) complexes with salicylaldimine-bound fluorophores for ratiometric oxygen sensing.","Chemical communications (Cambridge, England)","2024","60","81","11572","11575","10.1039/d4cc03220a","","","0.71073","MoKα","","0.0294","0.026","","","0.0592","0.0605","","","","","","1.03","","","","has coordinates","296274","2024-12-06","15:04:06",""
"7133768","15.564","0.002","14.1664","0.0019","15.798","0.002","90","","100.365","0.002","90","","3426.4","0.8","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H29 Ir N4 O3 S2 -","- C43 H29 Ir N4 O3 S2 -","- C172 H116 Ir4 N16 O12 S8 -","4","1","","Tidma, Sirawit; Sutton, Gregory D.; Dang, Linh T. M.; Jiang, Chenggang; Teets, Thomas S.","Dual-emitting cyclometalated Ir(III) complexes with salicylaldimine-bound fluorophores for ratiometric oxygen sensing.","Chemical communications (Cambridge, England)","2024","60","81","11572","11575","10.1039/d4cc03220a","","","0.71073","MoKα","","0.0291","0.0245","","","0.06","0.0619","","","","","","1.032","","","","has coordinates","296274","2024-12-06","15:04:06",""
"7133769","17.873","0.005","10.022","0.003","19.645","0.006","90","","100.26","0.004","90","","3462.6","1.8","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H32 Ir N3 O3 -","- C47 H32 Ir N3 O3 -","- C188 H128 Ir4 N12 O12 -","4","1","","Tidma, Sirawit; Sutton, Gregory D.; Dang, Linh T. M.; Jiang, Chenggang; Teets, Thomas S.","Dual-emitting cyclometalated Ir(III) complexes with salicylaldimine-bound fluorophores for ratiometric oxygen sensing.","Chemical communications (Cambridge, England)","2024","60","81","11572","11575","10.1039/d4cc03220a","","","0.71073","MoKα","","0.0612","0.043","","","0.0843","0.0905","","","","","","1.007","","","","has coordinates","296274","2024-12-06","15:04:06",""
"7133770","8.7535","0.0009","9.7512","0.001","11.0588","0.0012","108.448","0.004","99.312","0.004","107.231","0.003","820.53","0.15","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 N O2 S -","- C19 H17 N O2 S -","- C38 H34 N2 O4 S2 -","2","1","","Malo, Sidhartha; Santra, Supriyo; Saha, Jayanta; Ghosh, Debashree; Das, Indrajit","External photocatalyst-free photocycloaddition between triplet vinylnitrenes with 1,3-biradical character and activated olefins under 420 nm LEDs.","Chemical communications (Cambridge, England)","2024","60","86","12545","12548","10.1039/d4cc03484h","","","1.54178","CuKα","","0.0447","0.0439","","","0.1148","0.1155","","","","","","1.053","","","","has coordinates","296259","2024-12-06","14:56:06",""
"7133771","7.4754","0.0005","9.5803","0.0007","25.2169","0.0018","90","","90","","90","","1805.9","0.2","130","","130","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 N O2 S -","- C23 H17 N O2 S -","- C92 H68 N4 O8 S4 -","4","1","","Malo, Sidhartha; Santra, Supriyo; Saha, Jayanta; Ghosh, Debashree; Das, Indrajit","External photocatalyst-free photocycloaddition between triplet vinylnitrenes with 1,3-biradical character and activated olefins under 420 nm LEDs.","Chemical communications (Cambridge, England)","2024","60","86","12545","12548","10.1039/d4cc03484h","","x-ray","1.54178","CuKα","","0.041","0.0404","","","0.1043","0.1056","","","","","","1.09","","","","has coordinates","296259","2024-12-06","14:56:07",""
"7133772","27.701","0.014","17.066","0.008","11.137","0.005","90","","105.043","0.015","90","","5085","4","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C63 H62 Cl3 N2 S -","- C63 H59 Cl3 N2 S -","- C252 H236 Cl12 N8 S4 -","4","1","","Kumar, Viksit; Dongre, Sangram D.; Venugopal, Geethu; Narayanan, Aswini; Babu, Sukumaran Santhosh","Tailoring helical ends of π-extended [6]heterohelicenes to control optical, and electrochemical features.","Chemical communications (Cambridge, England)","2024","60","83","11944","11947","10.1039/d4cc03707c","","","0.71073","MoKα","","0.0693","0.0615","","","0.1675","0.1728","","","","","","1.275","","","","has coordinates","296269","2024-12-06","15:02:06",""
"7133773","11.0594","0.0009","16.3603","0.0015","16.3749","0.0015","62.846","0.003","76.886","0.003","76.976","0.003","2542","0.4","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C63 H59 Cl3 N2 Se -","- C63 H59 Cl3 N2 Se -","- C126 H118 Cl6 N4 Se2 -","2","2","","Kumar, Viksit; Dongre, Sangram D.; Venugopal, Geethu; Narayanan, Aswini; Babu, Sukumaran Santhosh","Tailoring helical ends of π-extended [6]heterohelicenes to control optical, and electrochemical features.","Chemical communications (Cambridge, England)","2024","60","83","11944","11947","10.1039/d4cc03707c","","","0.71073","MoKα","","0.0585","0.0495","","","0.1359","0.1424","","","","","","1.072","","","","has coordinates","296269","2024-12-06","15:02:08",""
"7133774","28.7693","0.0003","53.899","0.0008","31.4036","0.0003","90","","97.109","0.001","90","","48321.2","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C363 H434.5 Cu8 N20.5 O76.5 -","- C264 H212 Cu8 N4 O56 -","- C1056 H848 Cu32 N16 O224 -","4","1","","Tsoukatos, Steven; Maibam, Ashakiran; Babarao, Ravichandar; Bloch, Witold M.","Topological control in paddlewheel metal-organic cages <i>via</i> ligand length variation.","Chemical communications (Cambridge, England)","2024","60","90","13183","13186","10.1039/d4cc03769c","","x-ray","1.54184","CuKα","","0.1471","0.105","","","0.3386","0.3703","","","","","","1.236","","","","has coordinates,has disorder","296298","2024-12-06","15:21:32",""
"7133775","19.541","0.004","30.103","0.006","19.898","0.004","90","","114.14","0.03","90","","10681","4","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C195 H223 N17 O74 Rh8 -","- C153 H117 N3 O56 Rh8 -","- C306 H234 N6 O112 Rh16 -","2","0.5","","Tsoukatos, Steven; Maibam, Ashakiran; Babarao, Ravichandar; Bloch, Witold M.","Topological control in paddlewheel metal-organic cages <i>via</i> ligand length variation.","Chemical communications (Cambridge, England)","2024","60","90","13183","13186","10.1039/d4cc03769c","","","0.71073","Synchrotron","","0.1143","0.0829","","","0.2757","0.2987","","","","","","1.072","","","","has coordinates,has disorder","296298","2024-12-06","15:21:33",""
"7133776","19.34","0.004","29.811","0.006","19.575","0.004","90","","113.53","0.03","90","","10347","4","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C195 H223 Cu8 N17 O69 -","- C165 H145 Cu8 N7 O55 -","- C330 H290 Cu16 N14 O110 -","2","0.5","","Tsoukatos, Steven; Maibam, Ashakiran; Babarao, Ravichandar; Bloch, Witold M.","Topological control in paddlewheel metal-organic cages <i>via</i> ligand length variation.","Chemical communications (Cambridge, England)","2024","60","90","13183","13186","10.1039/d4cc03769c","","","0.71073","Synchrotron","","0.0956","0.0871","","","0.2733","0.2854","","","","","","1.088","","","","has coordinates,has disorder","296298","2024-12-06","15:21:33",""
"7133777","59.811","0.012","20.955","0.004","50.565","0.01","90","","121.04","0.03","90","","54300","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C456 H645 N46 O100.5 Rh8 -","- C296 H276 N6 O56 Rh8 -","- C1184 H1104 N24 O224 Rh32 -","4","0.5","","Tsoukatos, Steven; Maibam, Ashakiran; Babarao, Ravichandar; Bloch, Witold M.","Topological control in paddlewheel metal-organic cages <i>via</i> ligand length variation.","Chemical communications (Cambridge, England)","2024","60","90","13183","13186","10.1039/d4cc03769c","","","0.71073","Synchrotron","","0.0775","0.068","","","0.2267","0.2385","","","","","","1.069","","","","has coordinates,has disorder","296298","2024-12-06","15:21:33",""
"7133778","41.178","0.005","41.178","0.005","41.178","0.005","90","","90","","90","","69823","15","100","2","100","2","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","","- C309 H377 Cu6 N35 O83 -","- C204 H120 Cu6 O42 -","- C1632 H960 Cu48 O336 -","8","0.333333","","Tsoukatos, Steven; Maibam, Ashakiran; Babarao, Ravichandar; Bloch, Witold M.","Topological control in paddlewheel metal-organic cages <i>via</i> ligand length variation.","Chemical communications (Cambridge, England)","2024","60","90","13183","13186","10.1039/d4cc03769c","","","0.71073","Synchrotron","","0.0599","0.0537","","","0.1563","0.1674","","","","","","1.039","","","","has coordinates","296298","2024-12-06","15:21:33",""
"7133779","6.8857","0.0003","13.748","0.0006","14.6331","0.0006","90","","90","","90","","1385.24","0.1","230","","230","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C7 H18 Cl4 Ga N -","- C7 H18 Cl4 Ga N -","- C28 H72 Cl16 Ga4 N4 -","4","0.5","","Yang, Zhao; Zeng, Yiyi; Chen, Guoyong; Sun, Xiao; Zhang, Haina; Cai, Hu; Wei, Zhenhong","An organic-inorganic hybrid perovskite material [Me<sub>3</sub>NCMe<sub>3</sub>]GaCl<sub>4</sub> exhibits a two-step off-on-off SHG response with a large temperature interval.","Chemical communications (Cambridge, England)","2024","60","83","11992","11995","10.1039/d4cc04031g","","","0.71073","MoKα","","0.0778","0.0562","","","0.1125","0.1215","","","","","","1.0649","","","","has coordinates,has disorder","296266","2024-12-06","15:01:00",""
"7133780","7.2333","0.0005","7.2333","0.0005","7.2333","0.0005","90","","90","","90","","378.45","0.05","349.98","0.1","350","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- C6 Cl4 Ga N -","- C6 Cl3.9996 Ga N -","- C6 Cl3.9996 Ga N -","1","0.0208333","","Yang, Zhao; Zeng, Yiyi; Chen, Guoyong; Sun, Xiao; Zhang, Haina; Cai, Hu; Wei, Zhenhong","An organic-inorganic hybrid perovskite material [Me<sub>3</sub>NCMe<sub>3</sub>]GaCl<sub>4</sub> exhibits a two-step off-on-off SHG response with a large temperature interval.","Chemical communications (Cambridge, England)","2024","60","83","11992","11995","10.1039/d4cc04031g","","","0.71073","MoKα","","0.2662","0.1939","","","0.5625","0.5991","","","","","","1.5","","","","has coordinates","296266","2024-12-06","15:01:00",""
"7133781","7.3448","0.0005","7.0749","0.0006","14.0244","0.0012","90","","90","","90","","728.76","0.1","293","2","293","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C7 H18 Cl4 Ga N -","- C7 H18 Cl4 Ga N -","- C14 H36 Cl8 Ga2 N2 -","2","0.5","","Yang, Zhao; Zeng, Yiyi; Chen, Guoyong; Sun, Xiao; Zhang, Haina; Cai, Hu; Wei, Zhenhong","An organic-inorganic hybrid perovskite material [Me<sub>3</sub>NCMe<sub>3</sub>]GaCl<sub>4</sub> exhibits a two-step off-on-off SHG response with a large temperature interval.","Chemical communications (Cambridge, England)","2024","60","83","11992","11995","10.1039/d4cc04031g","","","0.71073","MoKα","","0.1088","0.0792","","","0.2302","0.255","","","","","","1.074","","","","has coordinates,has disorder","296266","2024-12-06","15:01:00",""
"7133782","13.1124","0.0004","13.4322","0.0004","21.3152","0.0007","75.831","0.003","82.021","0.003","75.106","0.003","3506.2","0.2","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C79 H100 Al2 N4 -","- C79 H100 Al2 N4 -","- C158 H200 Al4 N8 -","2","1","","Squire, Imogen; Tritto, Michelangelo; Morell, Juliana; Bakewell, Clare","Probing the reactivity of a transient Al(I) species with substituted arenes.","Chemical communications (Cambridge, England)","2024","60","88","12908","12911","10.1039/d4cc03904a","","x-ray","1.54184","CuKα","","0.0537","0.0438","","","0.1176","0.1235","","","","","","1.028","","","","has coordinates","296282","2024-12-06","15:12:14",""
"7133783","22.1421","0.0003","16.4913","0.0002","19.8962","0.0002","90","","103.435","0.001","90","","7066.32","0.15","150.05","0.12","150.05","0.12","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C78 H101.91 Al2 N4 -","- C78 H101.912 Al2 N4 -","- C312 H407.648 Al8 N16 -","4","0.5","","Squire, Imogen; Tritto, Michelangelo; Morell, Juliana; Bakewell, Clare","Probing the reactivity of a transient Al(I) species with substituted arenes.","Chemical communications (Cambridge, England)","2024","60","88","12908","12911","10.1039/d4cc03904a","","x-ray","1.54184","CuKα","","0.0544","0.0431","","","0.1171","0.1258","","","","","","1.052","","","","has coordinates,has disorder","296282","2024-12-06","15:12:16",""
"7133784","16.5835","0.0002","16.83","0.0002","51.4307","0.0005","90","","96.723","0.001","90","","14255.6","0.3","150","3","150.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C78 H106 Al2 N4 -","- C72 H92 Al2 N4 -","- C576 H736 Al16 N32 -","8","1","","Squire, Imogen; Tritto, Michelangelo; Morell, Juliana; Bakewell, Clare","Probing the reactivity of a transient Al(I) species with substituted arenes.","Chemical communications (Cambridge, England)","2024","60","88","12908","12911","10.1039/d4cc03904a","","","1.54184","CuKα","","0.0656","0.0544","","","0.1404","0.1478","","","","","","1.0248","","","","has coordinates,has disorder","296282","2024-12-06","15:12:16",""
"7133785","15.2755","0.0002","20.21","0.0002","24.2085","0.0003","90","","105.824","0.001","90","","7190.38","0.15","150","0.1","150.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C72.5 H93.5 Al2 N4 -","- C71 H90 Al2 N4 -","- C284 H360 Al8 N16 -","4","1","","Squire, Imogen; Tritto, Michelangelo; Morell, Juliana; Bakewell, Clare","Probing the reactivity of a transient Al(I) species with substituted arenes.","Chemical communications (Cambridge, England)","2024","60","88","12908","12911","10.1039/d4cc03904a","","","1.54184","CuKα","","0.0653","0.0496","","","0.1258","0.1336","","","","","","1.0093","","","","has coordinates,has disorder","296282","2024-12-06","15:12:17",""
"7133786","9.5744","0.0004","23.4453","0.0007","21.3424","0.0011","90","","100.245","0.002","90","","4714.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H45 Ni P3 -","- C56 H45 Ni P3 -","- C224 H180 Ni4 P12 -","4","1","","Sansores-Paredes, María L G; Lutz, Martin; Moret, Marc-Etienne","Carbene transfer reactivity from a nickelacyclobutane.","Chemical communications (Cambridge, England)","2024","60","85","12397","12400","10.1039/d4cc04273e","","","0.71073","MoKα","","0.136","0.0669","","","0.1318","0.1558","","","","","","1.018","","","","has coordinates","296309","2024-12-06","15:25:07",""
"7133787","5.7014","0.0005","9.6716","0.0008","21.86","0.002","90","","92.246","0.007","90","","1204.47","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 5-amino-2,3-dihydro-[2,3'-bithiophene]-4-carboxylate","","- C11 H13 N O2 S2 -","- C11 H13 N O2 S2 -","- C44 H52 N4 O8 S8 -","4","1","","Hoque, Injamam Ul; Debnath, Saradindu; Lo, Rabindranath; Maity, Soumitra","A chromatographic relay conjugated photoredox strategy: <i>S</i>, <i>Se</i>-pharmacophore from alkenes <i>via</i> formal [2+2+1] heteroannulation.","Chemical communications (Cambridge, England)","2024","60","85","12429","12432","10.1039/d4cc03527e","","","0.71073","MoKα","","0.0993","0.0637","","","0.148","0.1648","","","","","","1.093","","","","has coordinates","296306","2024-12-06","15:24:26",""
"7133788","14.9528","0.0013","9.7498","0.0008","10.455","0.0011","90","","108.082","0.011","90","","1448.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Cl2 N O2 S -","- C13 H13 Cl2 N O2 S -","- C52 H52 Cl8 N4 O8 S4 -","4","1","","Hoque, Injamam Ul; Debnath, Saradindu; Lo, Rabindranath; Maity, Soumitra","A chromatographic relay conjugated photoredox strategy: <i>S</i>, <i>Se</i>-pharmacophore from alkenes <i>via</i> formal [2+2+1] heteroannulation.","Chemical communications (Cambridge, England)","2024","60","85","12429","12432","10.1039/d4cc03527e","","","0.71073","MoKα","","0.0945","0.0392","","","0.0484","0.0519","","","","","","1.015","","","","has coordinates","296306","2024-12-06","15:24:26",""
"7133789","13.1621","0.0007","13.9425","0.0008","17.0349","0.001","93.904","0.002","102.733","0.002","96.997","0.002","3011.9","0.3","100","","100","","","","","","","","see text","5","P -1","-P 1","2","","","","- C59 H90 N3 P Si5 -","- C59 H90 N3 P Si5 -","- C118 H180 N6 P2 Si10 -","2","1","","Doleschal, Martin Ernst; Kostenko, Arseni; Liu, Jin Yu; Inoue, Shigeyoshi","Silicon-aryl cooperative activation of ammonia.","Chemical communications (Cambridge, England)","2024","60","89","13020","13023","10.1039/d4cc04617j","","x-ray","0.71073","MoKα","","0.0655","0.0429","","","0.1021","0.1141","","","","","","0.738","","","","has coordinates","296294","2024-12-06","15:18:50",""
"7133790","10.1737","0.0001","12.4225","0.0001","15.0689","0.0002","68.938","0.001","85.221","0.001","79.107","0.001","1744.95","0.03","108.29","0.1","108.29","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C27 H36 Bi F N6 Na O15 -","- C27 H37 Bi F N6 Na O15 -","- C54 H74 Bi2 F2 N12 Na2 O30 -","2","1","","Kanagasundaram, Thines; Sun, Yang; Lee, Kevin K.; MacMillan, Samantha N.; Brugarolas, Pedro; Wilson, Justin J.","Fluorine-18 incorporation and radiometal coordination in macropa ligands for PET imaging and targeted alpha therapy.","Chemical communications (Cambridge, England)","2024","60","83","11940","11943","10.1039/d4cc04165h","","x-ray","0.71073","MoKα","","0.0218","0.0192","","","0.0442","0.045","","","","","","1.048","","","","has coordinates,has disorder","296270","2024-12-06","15:02:34",""
"7133791","8.23898","0.00013","10.497","0.00016","18.2476","0.0003","90","","97.9891","0.0015","90","","1562.82","0.04","172.99","0.1","172.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13.967 H19 N2 O P -","- C14 H19 N2 O P -","- C56 H76 N8 O4 P4 -","4","1","","Dong, Likun; Zhong, Bing; Zhang, Yu-Shan; Yang, Jin-Dong; Cheng, Jin-Pei","Phosphination of aryl/alkyl bromides <i>via</i> Mn-mediated reductive C-P coupling.","Chemical communications (Cambridge, England)","2024","60","86","12549","12552","10.1039/d4cc04750h","","x-ray","1.54184","CuKα","","0.0885","0.0831","","","0.2282","0.2336","","","","","","1.0224","","","","has coordinates,has disorder","296260","2024-12-06","14:56:24",""
"7133792","12.0758","0.0005","12.1758","0.0006","6.8549","0.0003","90","","97.473","0.002","90","","999.33","0.08","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H6 F3 N3 O -","- C11 H6 F3 N3 O -","- C44 H24 F12 N12 O4 -","4","1","","Wang, Huamin; Meng, Li-Qin; Niu, Wenjing; Yang, Wan-Qi; Ou, Yu; Lin, Ying-Wu","The [3+2] annulation of <i>in situ</i> formed trifluorodiazoethane with 4-nitroisoxazoles: access to trifluoromethylpyrazolo[3,4-<i>d</i>]isoxazoles.","Chemical communications (Cambridge, England)","2024","60","85","12425","12428","10.1039/d4cc03826f","","","1.34139","GaKα","","0.0415","0.0371","","","0.0999","0.104","","","","","","1.102","","","","has coordinates","296310","2024-12-06","15:25:45",""
"7133793","7.5837","0.0006","8.1452","0.0007","16.1468","0.0013","95.204","0.003","93.854","0.003","90.608","0.004","990.9","0.14","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 F6 N8 O -","- C20 H12 F6 N8 O -","- C40 H24 F12 N16 O2 -","2","1","","Wang, Huamin; Meng, Li-Qin; Niu, Wenjing; Yang, Wan-Qi; Ou, Yu; Lin, Ying-Wu","The [3+2] annulation of <i>in situ</i> formed trifluorodiazoethane with 4-nitroisoxazoles: access to trifluoromethylpyrazolo[3,4-<i>d</i>]isoxazoles.","Chemical communications (Cambridge, England)","2024","60","85","12425","12428","10.1039/d4cc03826f","","","1.34139","GaKα","","0.0484","0.04","","","0.1005","0.1049","","","","","","1.073","","","","has coordinates","296310","2024-12-06","15:25:46",""
"7133794","7.0457","0.0006","23.6493","0.0019","30.637","0.003","90","","90","","90","","5104.9","0.8","170","","170","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H7 Cl F3 N3 O2 -","- C12 H7 Cl F3 N3 O2 -","- C192 H112 Cl16 F48 N48 O32 -","16","2","","Wang, Huamin; Meng, Li-Qin; Niu, Wenjing; Yang, Wan-Qi; Ou, Yu; Lin, Ying-Wu","The [3+2] annulation of <i>in situ</i> formed trifluorodiazoethane with 4-nitroisoxazoles: access to trifluoromethylpyrazolo[3,4-<i>d</i>]isoxazoles.","Chemical communications (Cambridge, England)","2024","60","85","12425","12428","10.1039/d4cc03826f","","","1.34139","GaKα","","0.0582","0.0417","","","0.1053","0.1156","","","","","","1.026","","","","has coordinates","296310","2024-12-06","15:25:46",""
"7133795","11.6295","0.0003","11.5884","0.0003","24.2727","0.0006","90","","98.225","0.001","90","","3237.52","0.14","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H15 B F15 N2 P -","- C37 H15 B F15 N2 P -","- C148 H60 B4 F60 N8 P4 -","4","1","","Tang, Beili; Ju, Shaoying; Yan, Weili; Chen, Ting; Stephan, Douglas W.; Wu, Yile","Reactivity of <i>N</i>-(isocyanoimino)triphenylphosphorane toward group 13 Lewis acids.","Chemical communications (Cambridge, England)","2024","60","88","12932","12935","10.1039/d4cc04490h","","","1.54178","CuKα","","0.035","0.0315","","","0.0823","0.0848","","","","","","1.059","","","","has coordinates","296285","2024-12-06","15:13:54",""
"7133796","11.2784","0.0002","17.5791","0.0004","20.1614","0.0005","94.334","0.001","99.002","0.001","100.389","0.001","3861.1","0.15","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C81 H38 Al2 F30 N4 P2 -","- C81 H38 Al2 F30 N4 P2 -","- C162 H76 Al4 F60 N8 P4 -","2","1","","Tang, Beili; Ju, Shaoying; Yan, Weili; Chen, Ting; Stephan, Douglas W.; Wu, Yile","Reactivity of <i>N</i>-(isocyanoimino)triphenylphosphorane toward group 13 Lewis acids.","Chemical communications (Cambridge, England)","2024","60","88","12932","12935","10.1039/d4cc04490h","","","1.54178","CuKα","","0.0799","0.0526","","","0.1299","0.1439","","","","","","1.012","","","","has coordinates","296285","2024-12-06","15:13:56",""
"7133797","24.0532","0.0005","20.9341","0.0004","11.6059","0.0002","90","","102.431","0.001","90","","5706.94","0.19","150","","150","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C62 H50 Cl3 F4 In N4 P2 -","- C62 H50 Cl3 F4 In N4 P2 -","- C248 H200 Cl12 F16 In4 N16 P8 -","4","1","","Tang, Beili; Ju, Shaoying; Yan, Weili; Chen, Ting; Stephan, Douglas W.; Wu, Yile","Reactivity of <i>N</i>-(isocyanoimino)triphenylphosphorane toward group 13 Lewis acids.","Chemical communications (Cambridge, England)","2024","60","88","12932","12935","10.1039/d4cc04490h","","","1.54178","CuKα","","0.0321","0.0304","","","0.0675","0.0682","","","","","","1.09","","","","has coordinates,has disorder","296285","2024-12-06","15:13:56",""
"7133798","17.4641","0.0012","17.7994","0.0011","17.8166","0.001","79.202","0.004","62.982","0.004","61.288","0.004","4323.8","0.5","150","2","150","","","","","","","","","7","P -1","-P 1","2","","","","- C82 H65 Cl12 F Ga4 N8 P4 -","- C82 H65 Cl12 F Ga4 N8 P4 -","- C164 H130 Cl24 F2 Ga8 N16 P8 -","2","1","","Tang, Beili; Ju, Shaoying; Yan, Weili; Chen, Ting; Stephan, Douglas W.; Wu, Yile","Reactivity of <i>N</i>-(isocyanoimino)triphenylphosphorane toward group 13 Lewis acids.","Chemical communications (Cambridge, England)","2024","60","88","12932","12935","10.1039/d4cc04490h","","","1.54178","CuKα","","0.1028","0.0662","","","0.1763","0.1983","","","","","","1.066","","","","has coordinates","296285","2024-12-06","15:13:56",""
"7133799","11.9853","0.0009","12.0437","0.0009","18.347","0.0014","93.329","0.004","104.396","0.004","115.728","0.004","2268.7","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H25 B2 F20 N2 P -","- C50 H25 B2 F20 N2 P -","- C100 H50 B4 F40 N4 P2 -","2","1","","Tang, Beili; Ju, Shaoying; Yan, Weili; Chen, Ting; Stephan, Douglas W.; Wu, Yile","Reactivity of <i>N</i>-(isocyanoimino)triphenylphosphorane toward group 13 Lewis acids.","Chemical communications (Cambridge, England)","2024","60","88","12932","12935","10.1039/d4cc04490h","","","1.54178","CuKα","","0.0747","0.0578","","","0.1596","0.1731","","","","","","1.083","","","","has coordinates,has disorder","296285","2024-12-06","15:13:56",""
"7133800","15.3044","0.0006","25.9421","0.0011","19.9557","0.0008","90","","109.49","0.002","90","","7469","0.5","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C81.3 H50.2 Al2 Cl2 F21 N4 P2 -","- C81.3 H50.2 Al2 Cl2 F21 N4 P2 -","- C325.2 H200.8 Al8 Cl8 F84 N16 P8 -","4","1","","Tang, Beili; Ju, Shaoying; Yan, Weili; Chen, Ting; Stephan, Douglas W.; Wu, Yile","Reactivity of <i>N</i>-(isocyanoimino)triphenylphosphorane toward group 13 Lewis acids.","Chemical communications (Cambridge, England)","2024","60","88","12932","12935","10.1039/d4cc04490h","","","1.54178","CuKα","","0.0503","0.0445","","","0.1163","0.1196","","","","","","1.097","","","","has coordinates,has disorder","296285","2024-12-06","15:13:56",""
"7133801","12.8823","0.0015","19.118","0.003","6.4566","0.001","90","","90","","90","","1590.2","0.4","294","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba2 F2 Ge Se3 -","- Ba2 F2 Ge Se3 -","- Ba16 F16 Ge8 Se24 -","8","1","","Li, Kaixuan; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","Ba<sub>2</sub>GeF<sub>2</sub>Q<sub>3</sub> (Q = S, Se) and Ba<sub>3</sub>GeF<sub>2</sub>Se<sub>4</sub>: new F-based chalcohalides with enhanced birefringence.","Chemical communications (Cambridge, England)","2024","60","87","12734","12737","10.1039/d4cc04530k","","","0.71073","MoKα","","0.0398","0.0255","","","0.0624","0.0704","","","","","","1.05","","","","has coordinates","296333","2024-12-06","15:36:53",""
"7133802","9.3777","0.0003","9.4571","0.0003","12.3301","0.0005","90","","91.668","0.002","90","","1093.04","0.07","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Ba3 F2 Ge Se4 -","- Ba3 F2 Ge Se4 -","- Ba12 F8 Ge4 Se16 -","4","1","","Li, Kaixuan; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","Ba<sub>2</sub>GeF<sub>2</sub>Q<sub>3</sub> (Q = S, Se) and Ba<sub>3</sub>GeF<sub>2</sub>Se<sub>4</sub>: new F-based chalcohalides with enhanced birefringence.","Chemical communications (Cambridge, England)","2024","60","87","12734","12737","10.1039/d4cc04530k","","","0.71073","MoKα","","0.0463","0.0348","","","0.057","0.062","","","","","","1.072","","","","has coordinates","296333","2024-12-06","15:36:53",""
"7133803","12.626","0.014","18.669","0.018","6.316","0.007","90","","90","","90","","1489","3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba2 F2 Ge S3 -","- Ba2 F2 Ge S3 -","- Ba16 F16 Ge8 S24 -","8","1","","Li, Kaixuan; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","Ba<sub>2</sub>GeF<sub>2</sub>Q<sub>3</sub> (Q = S, Se) and Ba<sub>3</sub>GeF<sub>2</sub>Se<sub>4</sub>: new F-based chalcohalides with enhanced birefringence.","Chemical communications (Cambridge, England)","2024","60","87","12734","12737","10.1039/d4cc04530k","","","0.71073","MoKα","","0.095","0.0445","","","0.1021","0.1245","","","","","","1.057","","","","has coordinates","296333","2024-12-06","15:36:53",""
"7133804","7.6248","0.0002","10.9476","0.0002","26.8702","0.0007","90","","90.753","0.002","90","","2242.75","0.09","180","","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 Cl N4 O -","- C26 H25 Cl N4 O -","- C104 H100 Cl4 N16 O4 -","4","1","","Qiu, Xujun; Cai, Qianyu; Pohl, Eric; Jung, André; Su, Haopu; Fuhr, Olaf; Schepers, Ute; Bräse, Stefan","A simple method to modulate the selectivity of aryl azide photolysis using cucurbit[8]uril.","Chemical communications (Cambridge, England)","2024","60","88","12852","12855","10.1039/d4cc04209c","","x-ray","1.34143","GaKα","","0.0463","0.0418","","","0.1236","0.1266","","","","","","1.063","","","","has coordinates","296283","2024-12-06","15:12:40",""
"7133805","10.4972","0.0003","20.641","0.0005","12.7749","0.0004","90","","106.847","0.002","90","","2649.18","0.13","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 F6 N2 O4 -","- C30 H24 F6 N2 O4 -","- C120 H96 F24 N8 O16 -","4","1","","Qiu, Xujun; Cai, Qianyu; Pohl, Eric; Jung, André; Su, Haopu; Fuhr, Olaf; Schepers, Ute; Bräse, Stefan","A simple method to modulate the selectivity of aryl azide photolysis using cucurbit[8]uril.","Chemical communications (Cambridge, England)","2024","60","88","12852","12855","10.1039/d4cc04209c","","x-ray","1.34143","GaKα","","0.0804","0.0534","","","0.1567","0.1665","","","","","","1.081","","","","has coordinates","296283","2024-12-06","15:12:41",""
"7133806","10.0721","0.0003","19.0557","0.0005","23.2446","0.0008","90","","94.802","0.003","90","","4445.7","0.2","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26.5 Cl N2.5 O -","- C27 H26.5 Cl N2.5 O -","- C216 H212 Cl8 N20 O8 -","8","2","","Qiu, Xujun; Cai, Qianyu; Pohl, Eric; Jung, André; Su, Haopu; Fuhr, Olaf; Schepers, Ute; Bräse, Stefan","A simple method to modulate the selectivity of aryl azide photolysis using cucurbit[8]uril.","Chemical communications (Cambridge, England)","2024","60","88","12852","12855","10.1039/d4cc04209c","","x-ray","1.34143","GaKα","","0.0814","0.0587","","","0.1777","0.1883","","","","","","1.083","","","","has coordinates,has disorder","296283","2024-12-06","15:12:41",""
"7133807","14.0075","0.0006","18.751","0.0005","20.4381","0.0005","90","","90","","90","","5368.2","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H26 Eu N3 O14 -","- C24 H26 Eu N3 O14 -","- C192 H208 Eu8 N24 O112 -","8","1","","Wang, Hao; Sun, Xiao-Han; Wang, Tian-Tian; Li, Yu-Xin; Xu, Ying-Ming; Sun, Wen-Bin","Two-dimensional viologen-based lanthanide coordination polymers as multi-stimuli responsive materials to light and amines with a fluorescence response.","Chemical communications (Cambridge, England)","2024","60","85","12413","12416","10.1039/d4cc04356a","","x-ray","1.54184","CuKα","","0.0913","0.058","","","0.1464","0.1695","","","","","","1.031","","","","has coordinates","296308","2024-12-06","15:24:53",""
"7133808","14.6366","0.0003","18.5358","0.0003","19.7866","0.0003","90","","90","","90","","5368.13","0.16","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H26 N3 O14 Tb -","- C24 H26 N3 O14 Tb -","- C192 H208 N24 O112 Tb8 -","8","1","","Wang, Hao; Sun, Xiao-Han; Wang, Tian-Tian; Li, Yu-Xin; Xu, Ying-Ming; Sun, Wen-Bin","Two-dimensional viologen-based lanthanide coordination polymers as multi-stimuli responsive materials to light and amines with a fluorescence response.","Chemical communications (Cambridge, England)","2024","60","85","12413","12416","10.1039/d4cc04356a","","x-ray","1.54184","CuKα","","0.042","0.0356","","","0.092","0.0959","","","","","","1.042","","","","has coordinates,has disorder","296308","2024-12-06","15:24:54",""
"7133809","8.2512","0.0005","11.5639","0.0008","11.6055","0.0008","117.324","0.001","97.055","0.002","94.082","0.002","966.08","0.11","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C3.5 H2.83 Cl0.17 N0 O0.5 S0.33 -","- C3.5 H2.83333 Cl0.166667 O0.5 S0.333333 -","- C42 H34 Cl2 O6 S4 -","12","6","","Barik, Dinabandhu; Chakraborty, Nikita; Sahoo, Ashish K.; Dhara, Hirendra Nath; Patel, Bhisma K.","Electron-donor-acceptor (EDA) complex-driven regioselective vicinal and oxidative geminal functionalization of alkynes.","Chemical communications (Cambridge, England)","2024","60","86","12577","12580","10.1039/d4cc04610b","","","0.71073","MoKα","","0.0506","0.0433","","","0.1605","0.1735","","","","","","1.421","","","","has coordinates","296258","2024-12-06","14:55:41",""
"7133810","11.753","0.006","8.71","0.005","17.811","0.009","90","","90","","90","","1823.3","1.7","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3.33 H2.83 N0.17 O0.33 S0.33 -","- C3.33333 H2.83333 N0.166667 O0.333333 S0.333333 -","- C80 H68 N4 O8 S8 -","24","6","","Barik, Dinabandhu; Chakraborty, Nikita; Sahoo, Ashish K.; Dhara, Hirendra Nath; Patel, Bhisma K.","Electron-donor-acceptor (EDA) complex-driven regioselective vicinal and oxidative geminal functionalization of alkynes.","Chemical communications (Cambridge, England)","2024","60","86","12577","12580","10.1039/d4cc04610b","","","0.71073","MoKα","","0.0945","0.0621","","","0.1592","0.1939","","","","","","1.266","","","","has coordinates","296258","2024-12-06","14:55:43",""
"7133811","16.3613","0.0004","6.8967","0.0001","19.5442","0.0005","90","","103.785","0.002","90","","2141.83","0.08","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Cl N5 O2 -","- C24 H22 Cl N5 O2 -","- C96 H88 Cl4 N20 O8 -","4","1","","Qiu, Xujun; Pohl, Eric; Jung, André; Cai, Qianyu; Su, Haopu; Fuhr, Olaf; Schepers, Ute; Bräse, Stefan","Modulating the photolysis of aryl azides in a supramolecular host to develop photoactivatable fluorophores.","Chemical communications (Cambridge, England)","2024","60","88","12856","12859","10.1039/d4cc03907f","","x-ray","1.34143","GaKα","","0.0612","0.0536","","","0.1603","0.1663","","","","","","1.082","","","","has coordinates","296280","2024-12-06","15:10:43",""
"7133812","9.5693","0.0002","10.1473","0.0002","24.8566","0.0006","101.497","0.002","93.876","0.002","103.476","0.002","2283.56","0.09","180","","180","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 Cl N5 O2.5 -","- C24 H25 Cl N5 O2.5 -","- C96 H100 Cl4 N20 O10 -","4","2","","Qiu, Xujun; Pohl, Eric; Jung, André; Cai, Qianyu; Su, Haopu; Fuhr, Olaf; Schepers, Ute; Bräse, Stefan","Modulating the photolysis of aryl azides in a supramolecular host to develop photoactivatable fluorophores.","Chemical communications (Cambridge, England)","2024","60","88","12856","12859","10.1039/d4cc03907f","","x-ray","1.34143","GaKα","","0.0822","0.0691","","","0.2164","0.2283","","","","","","1.063","","","","has coordinates","296280","2024-12-06","15:10:44",""
"7133813","8.5644","0.0001","9.6993","0.0001","23.7155","0.0002","90","","90","","90","","1970.02","0.03","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Cl Cu N2 S -","- C21 H22 Cl Cu N2 S -","- C84 H88 Cl4 Cu4 N8 S4 -","4","1","","Saha, Ratnakar; Maharana, Suraj Kumar; Jana, Narayan Ch; Bagh, Bidraha","Copper-catalyzed C(sp<sup>3</sup>)-H alkylation of fluorene with primary and secondary alcohols using a borrowing hydrogen method.","Chemical communications (Cambridge, England)","2024","60","74","10144","10147","10.1039/d4cc03310h","","","1.54184","CuKα","","0.0538","0.0534","","","0.1062","0.1065","","","","","","1.136","","","","has coordinates,has disorder","295031","2024-10-04","04:41:52",""
"7133814","16.506","0.0004","34.2036","0.0011","35.1533","0.001","80.444","0.002","88.909","0.002","85.438","0.002","19508.6","1","100","0.1","100","0.1","","","","","","","","9","P -1","-P 1","2","[Cr7Ni(O2CBu)16][Cu2(O2CBu)4](N3O2SC21H22)","","","- C325 H504 Cr14 Cu4 F16 N6 Ni2 O86 S2 -","- C293.5 H468 Cr14 Cu4 F16 N6 Ni2 O86 S2 -","- C587 H936 Cr28 Cu8 F32 N12 Ni4 O172 S4 -","2","1","","Lockyer, Selena J.; Whitehead, George F. S.; Timco, Grigore A.; McInnes, Eric J. L.; Winpenny, Richard E. P.","One-, two- and three-dimensional interlocked polymers based on hybrid inorganic-organic rotaxanes.","Chemical communications (Cambridge, England)","2024","60","74","10124","10127","10.1039/d4cc03566f","","x-ray","0.6889","synchrotron","","0.1366","0.1014","","","0.2826","0.3093","","","","","","1.036","","","","has coordinates,has disorder","295032","2024-10-04","04:43:13",""
"7133815","26.8191","0.0004","19.6641","0.0003","43.9326","0.0007","90","","104.391","0.002","90","","22441.9","0.6","100","0.1","100","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[Cr7Ni(O2CBu)16]2[Cu2(O2CBu)4]3(N5O4C26H24)2","","","- C170.2 H290.65 Cr7 Cu4 F8 N5 Ni O61.2 -","- C169.862 H290.148 Cr7 Cu4 F8 N5 Ni O61.166 -","- C679.448 H1160.59 Cr28 Cu16 F32 N20 Ni4 O244.664 -","4","1","","Lockyer, Selena J.; Whitehead, George F. S.; Timco, Grigore A.; McInnes, Eric J. L.; Winpenny, Richard E. P.","One-, two- and three-dimensional interlocked polymers based on hybrid inorganic-organic rotaxanes.","Chemical communications (Cambridge, England)","2024","60","74","10124","10127","10.1039/d4cc03566f","","x-ray","0.6889","synchrotron","","0.0937","0.0699","","","0.1952","0.2111","","","","","","1.086","","","","has coordinates,has disorder","295032","2024-10-04","04:43:14",""
"7133816","35.2731","0.0004","16.6464","0.0002","37.7375","0.0005","90","","94.682","0.001","90","","22084.4","0.5","100","0.1","100","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[Cr7Ni(O2CBu)16][Cu2(O2CBu)4]2(N5O4C26H24)","","","- C178 H302.48 Cr7 Cu4 F8 N6 Ni O59.88 -","- C178 H302.476 Cr7 Cu4 F8 N6 Ni O59.875 -","- C712 H1209.9 Cr28 Cu16 F32 N24 Ni4 O239.5 -","4","1","","Lockyer, Selena J.; Whitehead, George F. S.; Timco, Grigore A.; McInnes, Eric J. L.; Winpenny, Richard E. P.","One-, two- and three-dimensional interlocked polymers based on hybrid inorganic-organic rotaxanes.","Chemical communications (Cambridge, England)","2024","60","74","10124","10127","10.1039/d4cc03566f","","x-ray","0.6889","synchrotron","","0.1018","0.0781","","","0.2109","0.2267","","","","","","1.026","","","","has coordinates,has disorder","295032","2024-10-04","04:43:15",""
"7133817","18.1052","0.0004","18.1052","0.0004","13.2724","0.0003","90","","90","","90","","4350.67","0.17","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C16 H21.5 N3.5 O3.5 Zn -","- C13 H13 N3 O2 Zn -","- C104 H104 N24 O16 Zn8 -","8","1","","Fu, Hong-Ru; Zhang, Ruo-Yu; Li, Ting; Wei, Chen-Ying; Liu, Shuang; Xu, Jia-Yi; Zhu, Xueli; Wei, Jiaojiao; Ding, Qing-Rong; Ma, Lu-Fang","Color-tunable and white circularly polarized luminescence through confining guests into chiral MOFs.","Chemical communications (Cambridge, England)","2024","60","74","10212","10215","10.1039/d4cc03164d","","x-ray","0.71073","MoKα","","0.0475","0.0379","","","0.0846","0.088","","","","","","0.976","","","","has coordinates,has disorder","295033","2024-10-04","04:44:05",""
"7133818","18.1042","0.0004","18.1042","0.0004","13.2792","0.0004","90","","90","","90","","4352.42","0.19","290","","290","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C16 H22.5 N3.5 O4 Zn -","- C13 H13 N3 O2 Zn -","- C104 H104 N24 O16 Zn8 -","8","1","","Fu, Hong-Ru; Zhang, Ruo-Yu; Li, Ting; Wei, Chen-Ying; Liu, Shuang; Xu, Jia-Yi; Zhu, Xueli; Wei, Jiaojiao; Ding, Qing-Rong; Ma, Lu-Fang","Color-tunable and white circularly polarized luminescence through confining guests into chiral MOFs.","Chemical communications (Cambridge, England)","2024","60","74","10212","10215","10.1039/d4cc03164d","","x-ray","0.71073","MoKα","","0.0458","0.0375","","","0.0889","0.0925","","","","","","1.003","","","","has coordinates,has disorder","295033","2024-10-04","04:44:14",""
"7133819","7.9801","0.0003","17.8286","0.0008","15.0481","0.0007","90","","102.601","0.004","90","","2089.38","0.16","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 Br O P -","- C27 H20 Br O P -","- C108 H80 Br4 O4 P4 -","4","1","","Qin, Yunlong; Zhang, Jianing; Zhang, Congcong; Wang, Qilin","Substituent-dependent [4+2] or [2+2] cycloadditions of phenylallenyl phosphine oxides with arynes.","Chemical communications (Cambridge, England)","2024","60","80","11343","11346","10.1039/d4cc03507k","","x-ray","1.54184","CuKα","","0.0553","0.0497","","","0.1321","0.1378","","","","","","1.071","","","","has coordinates","295034","2024-10-04","04:46:36",""
"7133820","12.1019","0.0002","13.6934","0.0003","12.1992","0.0002","90","","91.695","0.002","90","","2020.72","0.06","169.99","0.1","169.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 F O P -","- C27 H20 F O P -","- C108 H80 F4 O4 P4 -","4","1","","Qin, Yunlong; Zhang, Jianing; Zhang, Congcong; Wang, Qilin","Substituent-dependent [4+2] or [2+2] cycloadditions of phenylallenyl phosphine oxides with arynes.","Chemical communications (Cambridge, England)","2024","60","80","11343","11346","10.1039/d4cc03507k","","x-ray","1.54184","CuKα","","0.0547","0.0512","","","0.1342","0.1402","","","","","","1.026","","","","has coordinates","295034","2024-10-04","04:46:45",""
"7133821","10.2309","0.0002","22.3914","0.0004","12.3597","0.0002","90","","106.861","0.002","90","","2709.69","0.09","169.99","0.1","169.99","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 Cl3 F3 O4 P S -","- C23 H27 Cl3 F3 O4 P S -","- C92 H108 Cl12 F12 O16 P4 S4 -","4","1","","Qin, Yunlong; Zhang, Jianing; Zhang, Congcong; Wang, Qilin","Substituent-dependent [4+2] or [2+2] cycloadditions of phenylallenyl phosphine oxides with arynes.","Chemical communications (Cambridge, England)","2024","60","80","11343","11346","10.1039/d4cc03507k","","x-ray","1.54184","CuKα","","0.0711","0.0658","","","0.1762","0.184","","","","","","1.038","","","","has coordinates","295034","2024-10-04","04:46:46",""
"7133822","11.1653","0.0001","15.513","0.0002","13.4254","0.0002","90","","109.732","0.001","90","","2188.84","0.05","120","0.1","120","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H25 O P -","- C29 H25 O P -","- C116 H100 O4 P4 -","4","1","","Qin, Yunlong; Zhang, Jianing; Zhang, Congcong; Wang, Qilin","Substituent-dependent [4+2] or [2+2] cycloadditions of phenylallenyl phosphine oxides with arynes.","Chemical communications (Cambridge, England)","2024","60","80","11343","11346","10.1039/d4cc03507k","","x-ray","1.54184","CuKα","","0.0405","0.0388","","","0.0955","0.0963","","","","","","1.076","","","","has coordinates","295034","2024-10-04","04:46:46",""
"7133823","16.0883","0.0006","6.3238","0.0002","21.618","0.0008","90","","109.454","0.004","90","","2073.83","0.14","153.15","","153.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 O P -","- C26 H25 O P -","- C104 H100 O4 P4 -","4","1","","Qin, Yunlong; Zhang, Jianing; Zhang, Congcong; Wang, Qilin","Substituent-dependent [4+2] or [2+2] cycloadditions of phenylallenyl phosphine oxides with arynes.","Chemical communications (Cambridge, England)","2024","60","80","11343","11346","10.1039/d4cc03507k","","x-ray","1.54184","CuKα","","0.0726","0.0607","","","0.1649","0.1727","","","","","","1.022","","","","has coordinates","295034","2024-10-04","04:46:48",""
"7133824","10.5096","0.0006","15.4521","0.0008","16.5422","0.0009","90","","90.04","0.04","90","","2686.4","0.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 F3 O5 P S -","- C29 H24 F3 O5 P S -","- C116 H96 F12 O20 P4 S4 -","4","1","","Qin, Yunlong; Zhang, Jianing; Zhang, Congcong; Wang, Qilin","Substituent-dependent [4+2] or [2+2] cycloadditions of phenylallenyl phosphine oxides with arynes.","Chemical communications (Cambridge, England)","2024","60","80","11343","11346","10.1039/d4cc03507k","","","1.54178","CuKα","","0.0426","0.0416","","","0.1039","0.1045","","","","","","1.118","","","","has coordinates","295034","2024-10-04","04:46:49",""
"7133825","8.5875","0.0007","22.565","0.002","40.397","0.003","90","","90","","90","","7828","1.1","150","","150","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C39 H38 B Cl2 N2 O6 Rh Si2 -","- C39 H38 B Cl2 N2 O6 Rh Si2 -","- C312 H304 B8 Cl16 N16 O48 Rh8 Si16 -","8","2","","Prieto-Pascual, Unai; Bustos, Itxaso; Salcedo-Abraira, Pablo; Vitorica-Yrezabal, Iñigo J; Landa, Aitor; Freixa, Zoraida; Huertos, Miguel A.","Unsaturated chiral-only-at-metal rhodium(III) complexes bearing SiN-type ligands.","Chemical communications (Cambridge, England)","2024","60","80","11299","11302","10.1039/d4cc03665d","","","0.71073","MoKα","","0.1984","0.0658","","","0.1151","0.1665","","","","","","1.025","","","","has coordinates","295035","2024-10-04","04:47:33",""
"7133826","10.208","0.0008","8.5609","0.0007","21.3464","0.0016","90","","101.94","0.002","90","","1825.1","0.2","150","","150","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H36 B N2 O6 Rh Si2 -","- C38 H36 B N2 O6 Rh Si2 -","- C76 H72 B2 N4 O12 Rh2 Si4 -","2","1","","Prieto-Pascual, Unai; Bustos, Itxaso; Salcedo-Abraira, Pablo; Vitorica-Yrezabal, Iñigo J; Landa, Aitor; Freixa, Zoraida; Huertos, Miguel A.","Unsaturated chiral-only-at-metal rhodium(III) complexes bearing SiN-type ligands.","Chemical communications (Cambridge, England)","2024","60","80","11299","11302","10.1039/d4cc03665d","","x-ray","0.71073","MoKα","","0.1609","0.0583","","","0.1091","0.1538","","","","","","1.096","","","","has coordinates","295035","2024-10-04","04:47:34",""
"7133827","7.857","0.0006","10.6978","0.0009","11.0526","0.001","90","","105.428","0.005","90","","895.52","0.13","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H24 O2 -","- C22 H24 O2 -","- C44 H48 O4 -","2","1","","Chang, Chi-Hao; Yen, Chao-Ting; Goncalves, Théo P; Lin, Yu-Sheng; Wang, Yu-Chun; Basha, R. Sidick; Chen, Bo-Yan; Fu, Cheng-Hao; Chen, Liang-Wei; Jhou, Meng-Li; Huang, Kuo-Wei; Chou, Chih-Ming","Substrate-directed regioselective alkene functionalizations of (<i>E</i>)-β,γ-unsaturated carboxylic acids.","Chemical communications (Cambridge, England)","2024","60","80","11339","11342","10.1039/d4cc03581j","","","0.71073","MoKα","","0.0401","0.0354","","","0.0827","0.0854","","","","","","1.038","","","","has coordinates","295036","2024-10-04","04:48:26",""
"7133828","11.4578","0.0009","22.1975","0.0018","8.4627","0.0007","90","","109.64","0.002","90","","2027.1","0.3","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 F3 O2 -","- C23 H23 F3 O2 -","- C92 H92 F12 O8 -","4","1","","Chang, Chi-Hao; Yen, Chao-Ting; Goncalves, Théo P; Lin, Yu-Sheng; Wang, Yu-Chun; Basha, R. Sidick; Chen, Bo-Yan; Fu, Cheng-Hao; Chen, Liang-Wei; Jhou, Meng-Li; Huang, Kuo-Wei; Chou, Chih-Ming","Substrate-directed regioselective alkene functionalizations of (<i>E</i>)-β,γ-unsaturated carboxylic acids.","Chemical communications (Cambridge, England)","2024","60","80","11339","11342","10.1039/d4cc03581j","","","0.71073","MoKα","","0.0523","0.0456","","","0.1052","0.1089","","","","","","1.054","","","","has coordinates","295036","2024-10-04","04:48:27",""
"7133829","12.4838","0.0016","21.18","0.002","10.3247","0.0011","90","","96.69","0.004","90","","2711.3","0.5","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H35 O3 P -","- C31 H35 O3 P -","- C124 H140 O12 P4 -","4","1","","Gurram, Durga Prasad; Marri, Gangababu; Jothimani, Naveen; Chen, Yi-Ru; Lin, Wenwei","Diversity-oriented synthesis of chromone inden-1-one-fused cyclopentadienylides and <i>C</i>-acylated chromone adducts <i>via</i> allylic phosphorus ylides.","Chemical communications (Cambridge, England)","2024","60","72","9817","9820","10.1039/d4cc03210a","","","0.71073","MoKα","","0.0872","0.0534","","","0.124","0.1428","","","","","","1.017","","","","has coordinates","295037","2024-10-04","04:50:03",""
"7133830","19.4485","0.0007","6.3637","0.0002","15.7718","0.0005","90","","105.28","0.001","90","","1882.98","0.11","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H14 O5 -","- C26 H14 O5 -","- C104 H56 O20 -","4","1","","Gurram, Durga Prasad; Marri, Gangababu; Jothimani, Naveen; Chen, Yi-Ru; Lin, Wenwei","Diversity-oriented synthesis of chromone inden-1-one-fused cyclopentadienylides and <i>C</i>-acylated chromone adducts <i>via</i> allylic phosphorus ylides.","Chemical communications (Cambridge, England)","2024","60","72","9817","9820","10.1039/d4cc03210a","","","0.71073","MoKα","","0.0584","0.0443","","","0.1107","0.1239","","","","","","1.023","","","","has coordinates","295037","2024-10-04","04:50:05",""
"7133831","11.3575","0.0005","11.1326","0.0005","21.2159","0.0011","90","","97.976","0.002","90","","2656.6","0.2","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H37 O3 P -","- C31 H37 O3 P -","- C124 H148 O12 P4 -","4","1","","Gurram, Durga Prasad; Marri, Gangababu; Jothimani, Naveen; Chen, Yi-Ru; Lin, Wenwei","Diversity-oriented synthesis of chromone inden-1-one-fused cyclopentadienylides and <i>C</i>-acylated chromone adducts <i>via</i> allylic phosphorus ylides.","Chemical communications (Cambridge, England)","2024","60","72","9817","9820","10.1039/d4cc03210a","","","0.71073","MoKα","","0.059","0.0442","","","0.123","0.1386","","","","","","1.029","","","","has coordinates","295037","2024-10-04","04:50:05",""
"7133832","9.6734","0.0004","14.613","0.0006","19.9002","0.0009","90","","101.356","0.002","90","","2758","0.2","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H36 O4 P -","- C31 H36 O4 P -","- C124 H144 O16 P4 -","4","1","","Gurram, Durga Prasad; Marri, Gangababu; Jothimani, Naveen; Chen, Yi-Ru; Lin, Wenwei","Diversity-oriented synthesis of chromone inden-1-one-fused cyclopentadienylides and <i>C</i>-acylated chromone adducts <i>via</i> allylic phosphorus ylides.","Chemical communications (Cambridge, England)","2024","60","72","9817","9820","10.1039/d4cc03210a","","","0.71073","MoKα","","0.1036","0.0684","","","0.1967","0.2344","","","","","","1.054","","","","has coordinates","295037","2024-10-04","04:50:05",""
"7133833","9.4621","0.0013","9.9741","0.0014","11.4369","0.0015","71.12","0.004","86.589","0.004","79.453","0.004","1004","0.2","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H23 N3 O2 -","- C23 H23 N3 O2 -","- C46 H46 N6 O4 -","2","1","","Srinivasu, Vinjamuri; Pattanaik, Swadhin; Sureshkumar, Devarajulu","Photoredox cross-dehydrogenative C(sp<sup>2</sup>)-C(sp<sup>3</sup>) coupling of heteroarenes with secondary amines through 1,5-HAT.","Chemical communications (Cambridge, England)","2024","60","72","9757","9760","10.1039/d4cc02818j","","","0.71073","MoKα","","0.1658","0.0726","","","0.1728","0.2293","","","","","","1.055","","","","has coordinates","295038","2024-10-04","04:51:31",""
"7133834","20.8869","0.0006","11.3031","0.0004","23.5314","0.0008","90","","98.892","0.001","90","","5488.7","0.3","180","2","180","2","","","","","","","","9","P 1 n 1","P -2yac","7","","","","- C54.25 H60.5 Cl2.5 Dy F6 N6 O2 P Si2 -","- C53 H58 Dy F6 N6 O2 P Si2 -","- C212 H232 Dy4 F24 N24 O8 P4 Si8 -","4","2","","Armenis, Alexandros S.; Mondal, Arpan; Giblin, Sean R.; Raptopoulou, Catherine P.; Psycharis, Vassilis; Alexandropoulos, Dimitris I.; Tang, Jinkui; Layfield, Richard A.; Stamatatos, Theocharis C.","Unveiling new [1+1] Schiff-base macrocycles towards high energy-barrier hexagonal bipyramidal Dy(III) single-molecule magnets.","Chemical communications (Cambridge, England)","2024","60","87","12730","12733","10.1039/d4cc04551c","","","0.71073","MoKα","","0.063","0.0511","","","0.1012","0.1087","","","","","","1.062","","","","has coordinates","296332","2024-12-06","15:36:37",""
"7133835","16.895","0.003","14.733","0.003","20.76","0.004","90","","97.425","0.007","90","","5124.1","1.7","173","","173","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C53 H55 Dy F6 N3 O5 P Si2 -","- C53 H55 Dy F6 N3 O5 P Si2 -","- C212 H220 Dy4 F24 N12 O20 P4 Si8 -","4","1","","Armenis, Alexandros S.; Mondal, Arpan; Giblin, Sean R.; Raptopoulou, Catherine P.; Psycharis, Vassilis; Alexandropoulos, Dimitris I.; Tang, Jinkui; Layfield, Richard A.; Stamatatos, Theocharis C.","Unveiling new [1+1] Schiff-base macrocycles towards high energy-barrier hexagonal bipyramidal Dy(III) single-molecule magnets.","Chemical communications (Cambridge, England)","2024","60","87","12730","12733","10.1039/d4cc04551c","","","1.54178","CuKα","","0.0359","0.0306","","","0.0836","0.0868","","","","","","1.088","","","","has coordinates,has disorder","296332","2024-12-06","15:36:39",""
"7133836","33.1106","0.0006","16.5169","0.0003","7.9113","0.0002","90","","90","","90","","4326.57","0.16","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H44 Br8 Mn2 N8 -","- C28 H44 Br8 Mn2 N8 -","- C112 H176 Br32 Mn8 N32 -","4","1","","Qi, Zhikai; Zhang, Ke; Zhao, Xingxing; Zhang, Nan; Li, Shi-Li; Zhang, Xian-Ming","Promoting structural distortion to enhance the crystal field strength of Mn(II) in tetrahedral bromide for near-unity yellow emission.","Chemical communications (Cambridge, England)","2024","60","88","12880","12883","10.1039/d4cc04300f","","x-ray","0.71073","MoKα","","0.0688","0.0387","","","0.06","0.067","","","","","","1.065","","","","has coordinates","296281","2024-12-06","15:11:14",""
"7133837","13.7743","0.0004","17.5198","0.0007","13.7748","0.0004","90","","96.25","","90","","3304.42","0.19","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H38 Br10 N6 O Pb2 -","- C12 H37.9999 Br10 N6 O Pb2 -","- C48 H152 Br40 N24 O4 Pb8 -","4","1","","Tian, Dongjie; Lin, Jie; Mesbah, Adel; Zhou, Jiajing; Yang, Mianji; Gautier, Romain; Chen, Xi","A core-shell model of polymetallic hybrid metal halides.","Chemical communications (Cambridge, England)","2024","60","88","12924","12927","10.1039/d4cc04454a","","","0.71073","MoKα","","0.0527","0.0355","","","0.0773","0.083","","","","","","1.048","","","","has coordinates,has disorder","296287","2024-12-06","15:15:09",""
"7133838","9.8105","0.0003","10.5343","0.0004","13.5571","0.0006","109.987","0.004","96.545","0.003","110.033","0.003","1193.91","0.1","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C25 H26 Cl2 F N3 O3 -","- C25 H26 Cl2 F N3 O3 -","- C50 H52 Cl4 F2 N6 O6 -","2","1","","Dhake, Kushal; Woelk, Kyla J.; Krueckl, Liam D. N.; Alberts, Faith; Mutter, James; Pohl, Matthew O.; Thomas, Gilian T.; Sharma, Muskan; Bjornerud-Brown, Jaelyn; Fernández, Nahiane Pipaón; Schley, Nathan D.; Leitch, David C.","Diastereoselective dearomative cycloaddition of bicyclobutanes with pyridinium ylides: a modular approach to multisubstituted azabicyclo[3.1.1]heptanes.","Chemical communications (Cambridge, England)","2024","60","89","13008","13011","10.1039/d4cc04730c","","x-ray","1.54184","CuKα","","0.0717","0.0659","","","0.1707","0.1731","","","","","","1.202","","","","has coordinates","296290","2024-12-06","15:16:51",""
"7133839","5.8883","0.0002","10.8918","0.0003","14.0443","0.0004","75.094","0.001","88.484","0.001","89.578","0.001","870.1","0.05","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N O4 -","- C20 H23 N O4 -","- C40 H46 N2 O8 -","2","1","","Dhake, Kushal; Woelk, Kyla J.; Krueckl, Liam D. N.; Alberts, Faith; Mutter, James; Pohl, Matthew O.; Thomas, Gilian T.; Sharma, Muskan; Bjornerud-Brown, Jaelyn; Fernández, Nahiane Pipaón; Schley, Nathan D.; Leitch, David C.","Diastereoselective dearomative cycloaddition of bicyclobutanes with pyridinium ylides: a modular approach to multisubstituted azabicyclo[3.1.1]heptanes.","Chemical communications (Cambridge, England)","2024","60","89","13008","13011","10.1039/d4cc04730c","","","1.54178","CuKα","","0.0403","0.0369","","","0.0932","0.0959","","","","","","1.037","","","","has coordinates","296290","2024-12-06","15:16:52",""
"7133840","25.641","0.002","10.5252","0.0009","19.2556","0.0015","90","","109.104","0.004","90","","4910.4","0.7","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H46 Cl Ga P4 -","- C60 H46 Cl Ga P4 -","- C240 H184 Cl4 Ga4 P16 -","4","1","","Meyer, Fabio; Puylaert, Pim; Duvinage, Daniel; Hupf, Emanuel; Beckmann, Jens","Cationic dinuclear complexes [M<sub>2</sub>(PCP)<sub>2</sub><i>μ</i>-Cl][GaCl<sub>4</sub>] of the group 10 elements. metallophilic interactions and catalytic dehydrogenation of Me<sub>2</sub>NHBH<sub>3</sub>.","Chemical communications (Cambridge, England)","2024","60","88","12912","12915","10.1039/d4cc04296d","","x-ray","0.71073","MoKα","","0.0535","0.0405","","","0.0895","0.0952","","","","","","1.076","","","","has coordinates,has disorder","296286","2024-12-06","15:14:51",""
"7133841","14.839","0.003","15.097","0.002","15.823","0.003","100.633","0.005","98.985","0.006","111.337","0.005","3147","1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H46 Cl5 Ga Ni2 P4 -","- C60 H46 Cl5 Ga Ni2 P4 -","- C120 H92 Cl10 Ga2 Ni4 P8 -","2","1","","Meyer, Fabio; Puylaert, Pim; Duvinage, Daniel; Hupf, Emanuel; Beckmann, Jens","Cationic dinuclear complexes [M<sub>2</sub>(PCP)<sub>2</sub><i>μ</i>-Cl][GaCl<sub>4</sub>] of the group 10 elements. metallophilic interactions and catalytic dehydrogenation of Me<sub>2</sub>NHBH<sub>3</sub>.","Chemical communications (Cambridge, England)","2024","60","88","12912","12915","10.1039/d4cc04296d","","x-ray","0.71073","MoKα","","0.0535","0.0373","","","0.0824","0.0879","","","","","","1.028","","","","has coordinates,has disorder","296286","2024-12-06","15:14:51",""
"7133842","13.4598","0.0004","15.8581","0.0004","16.9458","0.0005","70.12","0.001","86.263","0.001","89.413","0.001","3393.97","0.17","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H46 Cl5 Ga P4 Pt2 -","- C60 H46 Cl5 Ga P4 Pt2 -","- C120 H92 Cl10 Ga2 P8 Pt4 -","2","1","","Meyer, Fabio; Puylaert, Pim; Duvinage, Daniel; Hupf, Emanuel; Beckmann, Jens","Cationic dinuclear complexes [M<sub>2</sub>(PCP)<sub>2</sub><i>μ</i>-Cl][GaCl<sub>4</sub>] of the group 10 elements. metallophilic interactions and catalytic dehydrogenation of Me<sub>2</sub>NHBH<sub>3</sub>.","Chemical communications (Cambridge, England)","2024","60","88","12912","12915","10.1039/d4cc04296d","","x-ray","0.71073","MoKα","","0.0225","0.0202","","","0.0546","0.0558","","","","","","1.062","","","","has coordinates,has disorder","296286","2024-12-06","15:14:51",""
"7133843","15.1433","0.0006","15.3082","0.0005","15.6366","0.0006","77.139","0.002","61.775","0.002","89.651","0.002","3092.9","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H46 Cl5 Ga P4 Pd2 -","- C60 H46 Cl5 Ga P4 Pd2 -","- C120 H92 Cl10 Ga2 P8 Pd4 -","2","1","","Meyer, Fabio; Puylaert, Pim; Duvinage, Daniel; Hupf, Emanuel; Beckmann, Jens","Cationic dinuclear complexes [M<sub>2</sub>(PCP)<sub>2</sub><i>μ</i>-Cl][GaCl<sub>4</sub>] of the group 10 elements. metallophilic interactions and catalytic dehydrogenation of Me<sub>2</sub>NHBH<sub>3</sub>.","Chemical communications (Cambridge, England)","2024","60","88","12912","12915","10.1039/d4cc04296d","","","0.71073","MoKα","","0.0772","0.0693","","","0.1826","0.187","","","","","","1.186","","","","has coordinates,has disorder","296286","2024-12-06","15:14:51",""
"7133844","10.9998","0.0012","12.2209","0.0013","21.688","0.002","89.922","0.004","83.531","0.004","69.049","0.004","2703","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C61 H48 Cl5 Ga P4 Pt -","- C61 H48 Cl5 Ga P4 Pt -","- C122 H96 Cl10 Ga2 P8 Pt2 -","2","1","","Meyer, Fabio; Puylaert, Pim; Duvinage, Daniel; Hupf, Emanuel; Beckmann, Jens","Cationic dinuclear complexes [M<sub>2</sub>(PCP)<sub>2</sub><i>μ</i>-Cl][GaCl<sub>4</sub>] of the group 10 elements. metallophilic interactions and catalytic dehydrogenation of Me<sub>2</sub>NHBH<sub>3</sub>.","Chemical communications (Cambridge, England)","2024","60","88","12912","12915","10.1039/d4cc04296d","","x-ray","0.71073","MoKα","","0.0257","0.0239","","","0.0595","0.0605","","","","","","1.068","","","","has coordinates","296286","2024-12-06","15:14:51",""
"7133845","15.3152","0.0008","40.9418","0.0019","20.7779","0.001","90","","98.274","0.002","90","","12892.8","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H139 Cu2 N8 S8 -","- C108 H139 Cu2 N8 S8 -","- C432 H556 Cu8 N32 S32 -","4","1","","Das, Sujit; Suthar, Sonam; Francis, Maria; Ghosh, Saurav; Mondal, Sangita; Kumar, Sunil; Mondal, Kartik Chandra","Isolation and Characterization of a Blue Coloured Three Coordinate Cu(I)-Radical Complex with a S3 Donor Set","Chemical Communications","2024","","","","","10.1039/D4CC03777D","","","0.71073","MoKα","","0.1065","0.0552","","","0.1767","0.235","","","","","","0.829","","","","has coordinates,has disorder","295399","2024-10-09","21:54:48",""
"7133846","21.8155","0.0004","9.8873","0.0002","27.5274","0.0005","90","","90.332","0.002","90","","5937.46","0.19","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H89 Fe K2 N5 O12 -","- C53 H89 Fe K2 N5 O12 -","- C212 H356 Fe4 K8 N20 O48 -","4","1","","Zars, Ethan; Pick, Lisa; Kankanamge, Achala; Gau, Michael R.; Meyer, Karsten; Mindiola, Daniel J.","C<sub>sp<sup>2</sup></sub>-H/F bond activation and borylation with iron.","Chemical communications (Cambridge, England)","2024","60","97","14415","14418","10.1039/d4cc04127e","","x-ray","0.71073","MoKα","","0.0958","0.0814","","","0.1873","0.1956","","","","","","1.068","","","","has coordinates,has disorder","296265","2024-12-06","14:59:59",""
"7133847","14.8545","0.0003","23.4401","0.0004","16.8987","0.0003","90","","103.34","0.002","90","","5725.21","0.19","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H89 Cl Fe K N3 O9 -","- C53 H89 Cl Fe K N3 O9 -","- C212 H356 Cl4 Fe4 K4 N12 O36 -","4","1","","Zars, Ethan; Pick, Lisa; Kankanamge, Achala; Gau, Michael R.; Meyer, Karsten; Mindiola, Daniel J.","C<sub>sp<sup>2</sup></sub>-H/F bond activation and borylation with iron.","Chemical communications (Cambridge, England)","2024","60","97","14415","14418","10.1039/d4cc04127e","","x-ray","0.71073","MoKα","","0.0395","0.0322","","","0.0773","0.0801","","","","","","1.028","","","","has coordinates,has disorder","296265","2024-12-06","14:59:59",""
"7133848","10.6531","0.00004","23.67132","0.00008","22.34027","0.00008","90","","95.7507","0.0003","90","","5605.26","0.03","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H82 Fe K N3 O6 -","- C59 H82 Fe K N3 O6 -","- C236 H328 Fe4 K4 N12 O24 -","4","1","","Zars, Ethan; Pick, Lisa; Kankanamge, Achala; Gau, Michael R.; Meyer, Karsten; Mindiola, Daniel J.","C<sub>sp<sup>2</sup></sub>-H/F bond activation and borylation with iron.","Chemical communications (Cambridge, England)","2024","60","97","14415","14418","10.1039/d4cc04127e","","x-ray","1.54184","CuKα","","0.03","0.0285","","","0.0739","0.0751","","","","","","1.055","","","","has coordinates,has disorder","296265","2024-12-06","14:59:59",""
"7133849","10.1611","0.0001","19.448","0.0002","15.5969","0.0002","90","","95.925","0.001","90","","3065.69","0.06","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H49 B2 K O10 -","- C24 H49 B2 K O10 -","- C96 H196 B8 K4 O40 -","4","1","","Zars, Ethan; Pick, Lisa; Kankanamge, Achala; Gau, Michael R.; Meyer, Karsten; Mindiola, Daniel J.","C<sub>sp<sup>2</sup></sub>-H/F bond activation and borylation with iron.","Chemical communications (Cambridge, England)","2024","60","97","14415","14418","10.1039/d4cc04127e","","x-ray","0.71073","MoKα","","0.0419","0.0347","","","0.0828","0.0857","","","","","","1.031","","","","has coordinates","296265","2024-12-06","14:59:59",""
"7133850","5.9057","0.0001","15.6724","0.0004","17.7952","0.0005","90","","97.537","0.002","90","","1632.83","0.07","93","0.1","93","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 B F2 N2 S -","- C21 H13 B F2 N2 S -","- C84 H52 B4 F8 N8 S4 -","4","1","","Ohashi, Fumika; Takano, Hideaki; Shinokubo, Hiroshi","Zig-zag-fused π-extended BODIPYs <i>via</i> gold-catalysed cycloisomerisation.","Chemical communications (Cambridge, England)","2024","60","88","12892","12895","10.1039/d4cc04416a","","x-ray","1.54184","CuKα","","0.0681","0.0644","","","0.1611","0.1625","","","","","","1.205","","","","has coordinates","296284","2024-12-06","15:13:03",""
"7133851","11.6699","0.0002","10.8486","0.0002","14.0687","0.0003","90","","111.763","0.002","90","","1654.18","0.06","92.99","0.1","92.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 B F2 N2 S -","- C21 H13 B F2 N2 S -","- C84 H52 B4 F8 N8 S4 -","4","1","","Ohashi, Fumika; Takano, Hideaki; Shinokubo, Hiroshi","Zig-zag-fused π-extended BODIPYs <i>via</i> gold-catalysed cycloisomerisation.","Chemical communications (Cambridge, England)","2024","60","88","12892","12895","10.1039/d4cc04416a","","x-ray","1.54184","CuKα","","0.0362","0.032","","","0.085","0.0875","","","","","","1.043","","","","has coordinates","296284","2024-12-06","15:13:05",""
"7133852","5.8694","0.0002","16.1821","0.0004","17.7533","0.0004","90","","97.915","0.003","90","","1670.13","0.08","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H15 B F2 N2 -","- C23 H15 B F2 N2 -","- C92 H60 B4 F8 N8 -","4","1","","Ohashi, Fumika; Takano, Hideaki; Shinokubo, Hiroshi","Zig-zag-fused π-extended BODIPYs <i>via</i> gold-catalysed cycloisomerisation.","Chemical communications (Cambridge, England)","2024","60","88","12892","12895","10.1039/d4cc04416a","","x-ray","0.71073","MoKα","","0.0547","0.0449","","","0.1415","0.1497","","","","","","1.136","","","","has coordinates","296284","2024-12-06","15:13:06",""
"7133853","11.2443","0.0002","12.5476","0.0003","23.0507","0.0004","94.375","0.002","92.406","0.001","112.285","0.002","2991.65","0.11","93.01","0.13","93.01","0.13","","","","","","","","5","P -1","-P 1","2","","","","- C40 H24 B2 F4 N4 -","- C40 H24 B2 F4 N4 -","- C160 H96 B8 F16 N16 -","4","2","","Ohashi, Fumika; Takano, Hideaki; Shinokubo, Hiroshi","Zig-zag-fused π-extended BODIPYs <i>via</i> gold-catalysed cycloisomerisation.","Chemical communications (Cambridge, England)","2024","60","88","12892","12895","10.1039/d4cc04416a","","x-ray","1.54184","CuKα","","0.0684","0.0609","","","0.1621","0.1666","","","","","","1.111","","","","has coordinates","296284","2024-12-06","15:13:06",""
"7133854","10.6241","0.0002","20.0539","0.0004","18.4446","0.0004","90","","92.354","0.002","90","","3926.39","0.14","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N3 O3 -","- C22 H21 N3 O3 -","- C176 H168 N24 O24 -","8","2","","Bao, Mei-Zhu; Pan, Xiao-Ying; Wu, Wen-Rong; Xiao, Lin; Liu, Jidan; Liu, Xu-Ge; Zhang, Shang-Shi; Zhao, Limin","Metal-catalyzed divergent synthesis from ylides with 3-arylbenzo[<i>d</i>][1,2,3]triazin-4(3<i>H</i>)-ones.","Chemical communications (Cambridge, England)","2024","60","88","12928","12931","10.1039/d4cc04309j","","x-ray","1.54184","CuKα","","0.0863","0.0746","","","0.1969","0.2093","","","","","","1.047","","","","has coordinates,has disorder","296279","2024-12-06","15:10:25",""
"7133855","10.2448","0.0004","14.5349","0.0005","14.7931","0.0005","70.151","0.003","89.702","0.003","85.415","0.003","2064.74","0.13","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Cl3 N3 O3 -","- C20 H18 Cl3 N3 O3 -","- C80 H72 Cl12 N12 O12 -","4","2","","Bao, Mei-Zhu; Pan, Xiao-Ying; Wu, Wen-Rong; Xiao, Lin; Liu, Jidan; Liu, Xu-Ge; Zhang, Shang-Shi; Zhao, Limin","Metal-catalyzed divergent synthesis from ylides with 3-arylbenzo[<i>d</i>][1,2,3]triazin-4(3<i>H</i>)-ones.","Chemical communications (Cambridge, England)","2024","60","88","12928","12931","10.1039/d4cc04309j","","x-ray","1.54184","CuKα","","0.0673","0.059","","","0.1578","0.1692","","","","","","1.055","","","","has coordinates","296279","2024-12-06","15:10:26",""
"7133856","12.5223","0.0008","12.3066","0.0007","15.2608","0.001","90","","90.707","0.002","90","","2351.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H22 N4 -","- C34 H22 N4 -","- C136 H88 N16 -","4","1","","Vijaykumar, Muniyappa; Pradhan, Chandini; Gonnade, Rajesh G.; Punji, Benudhar","Chelation-assisted and steric-controlled selectivity in the Pd-catalyzed C-H/C-H oxidative coupling of indoles.","Chemical communications (Cambridge, England)","2024","60","89","13028","13031","10.1039/d4cc03835e","","","0.71073","MoKα","","0.0955","0.0598","","","0.1332","0.1519","","","","","","1.051","","","","has coordinates","296292","2024-12-06","15:18:01",""
"7133857","17.8407","0.001","8.7838","0.0005","13.7388","0.0008","90","","90","","90","","2153","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H18 N4 O2 -","- C28 H18 N4 O2 -","- C112 H72 N16 O8 -","4","1","","Vijaykumar, Muniyappa; Pradhan, Chandini; Gonnade, Rajesh G.; Punji, Benudhar","Chelation-assisted and steric-controlled selectivity in the Pd-catalyzed C-H/C-H oxidative coupling of indoles.","Chemical communications (Cambridge, England)","2024","60","89","13028","13031","10.1039/d4cc03835e","","","0.71073","MoKα","","0.045","0.0402","","","0.098","0.1018","","","","","","1.036","","","","has coordinates","296292","2024-12-06","15:18:05",""
"7133858","9.1994","0.0003","13.5661","0.0005","14.2548","0.0005","93.7","0.001","100.621","0.001","107.105","0.001","1657.77","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H36 Cl2 N4 O3 -","- C36 H32 Cl2 N4 O2 -","- C72 H64 Cl4 N8 O4 -","2","1","","Vijaykumar, Muniyappa; Pradhan, Chandini; Gonnade, Rajesh G.; Punji, Benudhar","Chelation-assisted and steric-controlled selectivity in the Pd-catalyzed C-H/C-H oxidative coupling of indoles.","Chemical communications (Cambridge, England)","2024","60","89","13028","13031","10.1039/d4cc03835e","","","0.71073","MoKα","","0.0609","0.0469","","","0.1072","0.1162","","","","","","1.032","","","","has coordinates","296292","2024-12-06","15:18:08",""
"7133859","10.4599","0.0004","24.1253","0.0008","11.7099","0.0004","90","","96.396","0.001","90","","2936.58","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 N4 O -","- C36 H36 N4 O -","- C144 H144 N16 O4 -","4","1","","Vijaykumar, Muniyappa; Pradhan, Chandini; Gonnade, Rajesh G.; Punji, Benudhar","Chelation-assisted and steric-controlled selectivity in the Pd-catalyzed C-H/C-H oxidative coupling of indoles.","Chemical communications (Cambridge, England)","2024","60","89","13028","13031","10.1039/d4cc03835e","","","0.71073","MoKα","","0.0795","0.0587","","","0.1309","0.1416","","","","","","1.073","","","","has coordinates","296292","2024-12-06","15:18:09",""
"7133860","11.1926","0.0003","14.311","0.0004","15.3221","0.0004","74.279","0.001","75.916","0.001","69.724","0.001","2185.49","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H46 Cl6 F6 N3 O8 Pd2 -","- C40 H34 F6 N4 O6 Pd2 -","- C80 H68 F12 N8 O12 Pd4 -","2","1","","Vijaykumar, Muniyappa; Pradhan, Chandini; Gonnade, Rajesh G.; Punji, Benudhar","Chelation-assisted and steric-controlled selectivity in the Pd-catalyzed C-H/C-H oxidative coupling of indoles.","Chemical communications (Cambridge, England)","2024","60","89","13028","13031","10.1039/d4cc03835e","","","0.71073","MoKα","","0.0352","0.0316","","","0.0769","0.0793","","","","","","1.027","","","","has coordinates,has disorder","296292","2024-12-06","15:18:09",""
"7133861","25.5909","0.0011","14.0921","0.0006","20.263","0.0009","90","","120.791","0.001","90","","6277.4","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C39.5 H36 N4 O3 -","- C36 H32 N4 O3 -","- C288 H256 N32 O24 -","8","1","","Vijaykumar, Muniyappa; Pradhan, Chandini; Gonnade, Rajesh G.; Punji, Benudhar","Chelation-assisted and steric-controlled selectivity in the Pd-catalyzed C-H/C-H oxidative coupling of indoles.","Chemical communications (Cambridge, England)","2024","60","89","13028","13031","10.1039/d4cc03835e","","","0.71073","MoKα","","0.0693","0.0445","","","0.0973","0.1097","","","","","","1.03","","","","has coordinates","296292","2024-12-06","15:18:09",""
"7133862","13.2208","0.0006","16.2811","0.0008","13.317","0.0007","90","","115.094","0.002","90","","2595.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 N4 O3 -","- C33 H28 N4 O3 -","- C132 H112 N16 O12 -","4","1","","Vijaykumar, Muniyappa; Pradhan, Chandini; Gonnade, Rajesh G.; Punji, Benudhar","Chelation-assisted and steric-controlled selectivity in the Pd-catalyzed C-H/C-H oxidative coupling of indoles.","Chemical communications (Cambridge, England)","2024","60","89","13028","13031","10.1039/d4cc03835e","","","0.71073","MoKα","","0.0588","0.0482","","","0.1144","0.1224","","","","","","1.037","","","","has coordinates","296292","2024-12-06","15:18:09",""
"7133863","15.9963","0.0007","21.8997","0.0012","20.1858","0.0011","90","","90.029","0.002","90","","7071.4","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H66 F9 N6 O10.5 Pd3 S1.5 -","- C66 H66 F9 N6 O10.5 Pd3 S1.5 -","- C264 H264 F36 N24 O42 Pd12 S6 -","4","1","","Vijaykumar, Muniyappa; Pradhan, Chandini; Gonnade, Rajesh G.; Punji, Benudhar","Chelation-assisted and steric-controlled selectivity in the Pd-catalyzed C-H/C-H oxidative coupling of indoles.","Chemical communications (Cambridge, England)","2024","60","89","13028","13031","10.1039/d4cc03835e","","","0.71073","MoKα","","0.0724","0.0576","","","0.1422","0.1549","","","","","","1.021","","","","has coordinates,has disorder","296292","2024-12-06","15:18:09",""
"7133864","17.7407","0.0014","11.1622","0.001","27.225","0.002","90","","90.328","0.003","90","","5391.1","0.8","105","2","105","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 N4 O2 -","- C34 H30 N4 O2 -","- C272 H240 N32 O16 -","8","1","","Vijaykumar, Muniyappa; Pradhan, Chandini; Gonnade, Rajesh G.; Punji, Benudhar","Chelation-assisted and steric-controlled selectivity in the Pd-catalyzed C-H/C-H oxidative coupling of indoles.","Chemical communications (Cambridge, England)","2024","60","89","13028","13031","10.1039/d4cc03835e","","","0.71073","MoKα","","0.1354","0.0633","","","0.1423","0.1858","","","","","","1.052","","","","has coordinates","296292","2024-12-06","15:18:09",""
"7133865","13.8441","0.0004","11.8025","0.0003","34.6152","0.0008","90","","99.341","0.002","90","","5581","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H64 Al F15 O2 P4 W -","- C53 H64 Al F15 O2 P4 W -","- C212 H256 Al4 F60 O8 P16 W4 -","4","1","","Escomel, Léon; Le Dé, Quentin; Benonie, Maxime; Vendier, Laure; Simonneau, Antoine","Low-valent group 6 metals/Al(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> donor-acceptor systems for CO<sub>2</sub> activation and cleavage.","Chemical communications (Cambridge, England)","2024","60","90","13235","13238","10.1039/d4cc02349h","","x-ray","1.54184","CuKα","","0.0604","0.0393","","","0.0859","0.0935","","","","","","1.029","","","","has coordinates,has disorder","296297","2024-12-06","15:20:04",""
"7133866","13.8498","0.0004","14.1073","0.0005","21.9884","0.0008","90","","107.491","0.003","90","","4097.5","0.2","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C58 H48 Al2 F30 Mo O4 P4 -","- C58 H48 Al2 F30 Mo O4 P4 -","- C116 H96 Al4 F60 Mo2 O8 P8 -","2","0.5","","Escomel, Léon; Le Dé, Quentin; Benonie, Maxime; Vendier, Laure; Simonneau, Antoine","Low-valent group 6 metals/Al(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> donor-acceptor systems for CO<sub>2</sub> activation and cleavage.","Chemical communications (Cambridge, England)","2024","60","90","13235","13238","10.1039/d4cc02349h","","x-ray","1.54184","CuKα","","0.1018","0.0833","","","0.214","0.2286","","","","","","1.047","","","","has coordinates,has disorder","296297","2024-12-06","15:20:05",""
"7133867","24.8425","0.0004","20.3105","0.0004","27.5805","0.0004","90","","113.272","0.002","90","","12783.9","0.4","100","2","100","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C54 H62 Al F15 Mo N O P4 -","- C54 H62 Al F15 Mo N O P4 -","- C432 H496 Al8 F120 Mo8 N8 O8 P32 -","8","1","","Escomel, Léon; Le Dé, Quentin; Benonie, Maxime; Vendier, Laure; Simonneau, Antoine","Low-valent group 6 metals/Al(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> donor-acceptor systems for CO<sub>2</sub> activation and cleavage.","Chemical communications (Cambridge, England)","2024","60","90","13235","13238","10.1039/d4cc02349h","","x-ray","1.54184","CuKα","","0.0366","0.0304","","","0.0788","0.0819","","","","","","1.034","","","","has coordinates","296297","2024-12-06","15:20:05",""
"7133868","10.2719","0.0006","11.296","0.0007","12.0615","0.0007","68.508","0.002","65.942","0.002","81.917","0.002","1189.02","0.13","120","2","120","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H25 F Fe N5 O5 -","- C26 H25 F Fe N5 O5 -","- C52 H50 F2 Fe2 N10 O10 -","2","1","","Fan, Zi-Xuan; Lian, Kai-Ting; Liao, Pei-Yu; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Synergetic spin crossover and fluorescence in a mononuclear iron(III) complex.","Chemical communications (Cambridge, England)","2024","60","90","13227","13230","10.1039/d4cc05036c","","","0.71073","MoKα","","0.059","0.0407","","","0.0895","0.0971","","","","","","1.054","","","","has coordinates","296300","2024-12-06","15:22:09",""
"7133869","10.1942","0.0003","12.1461","0.0003","12.1213","0.0004","66.188","0.003","65.374","0.003","83.184","0.002","1245.99","0.08","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H25 Cl Fe N5 O5 -","- C26 H25 Cl Fe N5 O5 -","- C52 H50 Cl2 Fe2 N10 O10 -","2","1","","Fan, Zi-Xuan; Lian, Kai-Ting; Liao, Pei-Yu; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Synergetic spin crossover and fluorescence in a mononuclear iron(III) complex.","Chemical communications (Cambridge, England)","2024","60","90","13227","13230","10.1039/d4cc05036c","","","1.54178","CuKα","","0.0474","0.0461","","","0.1241","0.1252","","","","","","1.029","","","","has coordinates","296300","2024-12-06","15:22:11",""
"7133870","10.306","0.002","12.235","0.003","12.191","0.003","66.11","0.007","65.439","0.008","82.87","0.007","1276.5","0.5","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H25 Cl Fe N5 O5 -","- C26 H25 Cl Fe N5 O5 -","- C52 H50 Cl2 Fe2 N10 O10 -","2","1","","Fan, Zi-Xuan; Lian, Kai-Ting; Liao, Pei-Yu; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Synergetic spin crossover and fluorescence in a mononuclear iron(III) complex.","Chemical communications (Cambridge, England)","2024","60","90","13227","13230","10.1039/d4cc05036c","","","0.71073","MoKα","","0.1178","0.0693","","","0.1691","0.1953","","","","","","1.064","","","","has coordinates,has disorder","296300","2024-12-06","15:22:11",""
"7133871","10.3263","0.0005","11.723","0.0006","12.4752","0.0006","66.229","0.002","65.108","0.002","81.559","0.002","1253.2","0.11","299.99","","299.99","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H25 F Fe N5 O5 -","- C26 H25 F Fe N5 O5 -","- C52 H50 F2 Fe2 N10 O10 -","2","1","","Fan, Zi-Xuan; Lian, Kai-Ting; Liao, Pei-Yu; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Synergetic spin crossover and fluorescence in a mononuclear iron(III) complex.","Chemical communications (Cambridge, England)","2024","60","90","13227","13230","10.1039/d4cc05036c","","","0.71073","MoKα","","0.0413","0.0338","","","0.0864","0.0911","","","","","","1.076","","","","has coordinates,has disorder","296300","2024-12-06","15:22:11",""
"7133872","8.8507","0.0006","29.1696","0.0019","9.5087","0.0007","90","","113.46","0.0013","90","","2252","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 N O3 -","- C28 H27 N O3 -","- C112 H108 N4 O12 -","4","1","","Yang, Peng; Brockmann, Till; Wu, Xiao-Feng","Copper-catalyzed strain-enabled reaction of bicyclobutanes with diazo compounds to synthesize penta-1,4-dienes.","Chemical communications (Cambridge, England)","2024","60","89","13048","13050","10.1039/d4cc04832f","","","0.71073","MoKα","","0.0685","0.043","","","0.0989","0.1116","","","","","","1.022","","","","has coordinates","296293","2024-12-06","15:18:34",""
"7133873","5.65731","0.00016","5.62441","0.00016","20.6396","0.0006","90","","93.064","0.002","90","","655.79","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H12 N2 O2 -","- C17 H12 N2 O2 -","- C34 H24 N4 O4 -","2","1","","Li, Xinyue; Fang, Yuhua; Zhao, Yuanyuan; Luo, Shenshen; Xue, Yuhui; Yong, Tingting; Wang, Bin","Employing a PhI(OAc)<sub>2</sub>-mediated domino reaction to assemble nitrogen-containing heterocyclic derivatives and assessing their anti-inflammatory activity.","Chemical communications (Cambridge, England)","2024","60","91","13352","13355","10.1039/d4cc03245d","","x-ray","1.54184","CuKα","","0.0358","0.0351","","","0.0941","0.0949","","","","","","1.058","","","","has coordinates","296318","2024-12-06","15:28:29",""
"7133874","16.6067","0.0007","5.4254","0.0003","20.6546","0.001","90","","93.326","0.004","90","","1857.8","0.16","170","2","170.15","","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C46 H32 N4 -","- C46 H32 N4 -","- C92 H64 N8 -","2","0.5","","Meng, Li; Li, Zhong-Qiu; Shao, Jiang-Yang; Chen, Zili; Zhong, Yu-Wu","An organic polarized photonic heterostructure based on tetra(4-pyridylphenyl)ethylene.","Chemical communications (Cambridge, England)","2024","60","90","13199","13202","10.1039/d4cc04345f","","","1.54184","CuKα","","0.0991","0.074","","","0.2158","0.2447","","","","","","1.067","","","","has coordinates","296299","2024-12-06","15:21:48",""
"7133875","13.9426","0.0003","13.9426","0.0003","39.401","0.0012","90","","90","","120","","6633.2","0.3","123","","123","","","","","","","","","5","R -3 :H","-R 3","148","","tBu1Tb","","- C15 H22.33 N1.33 O1.33 Tb0.33 -","- C14.9999 H22.3331 N1.3333 O1.33333 Tb0.333333 -","- C269.998 H401.996 N23.9994 O24 Tb6 -","18","1","","Shirai, Sora; Muratsugu, Satoshi; Matsui, Hisaki; Harada, Kazuhiro; Ehara, Masahiro; Nakai, Hidetaka; Tada, Mizuki","Circularly polarized luminescence induction on a Tb(III) complex with a tris(<i>o-tert</i>-butylaryloxide)-functionalized 1,4,7-triazacyclononane ligand coordinating chiral 1-phenylethylamine.","Chemical communications (Cambridge, England)","2024","60","96","14180","14183","10.1039/d4cc05191b","","x-ray","0.71073","MoKα","","0.0202","0.0179","","","0.044","0.0446","","","","","","1.066","","","","has coordinates","296328","2024-12-06","15:35:14",""
"7133876","12.552","0.0002","36.55","0.0004","21.8477","0.0003","90","","100.864","0.001","90","","9843.5","0.2","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","tBu1Tb_R-PEA","","- C108 H153 N9 O6 Tb2 -","- C108 H153 N9 O6 Tb2 -","- C432 H612 N36 O24 Tb8 -","4","2","","Shirai, Sora; Muratsugu, Satoshi; Matsui, Hisaki; Harada, Kazuhiro; Ehara, Masahiro; Nakai, Hidetaka; Tada, Mizuki","Circularly polarized luminescence induction on a Tb(III) complex with a tris(<i>o-tert</i>-butylaryloxide)-functionalized 1,4,7-triazacyclononane ligand coordinating chiral 1-phenylethylamine.","Chemical communications (Cambridge, England)","2024","60","96","14180","14183","10.1039/d4cc05191b","","x-ray","0.71073","MoKα","","0.0326","0.0257","","","0.0498","0.0511","","","","","","1.019","","","","has coordinates,has disorder","296328","2024-12-06","15:35:16",""
"7133877","27.23555","0.00007","27.23555","0.00007","17.39351","0.00008","90","","90","","90","","12902.1","0.08","150.01","0.1","150.01","0.1","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C31 H45 N3 O2 Si -","- C31 H45 N3 O2 Si -","- C496 H720 N48 O32 Si16 -","16","1","","Wang, Jingyan; Hwang, Gi Byoung; Knapp, Caroline E.; Wilson, Daniel W. N.","Reversible CO<sub>2</sub> insertion into the silicon-nitrogen σ-bond of an N-heterocyclic iminosilane.","Chemical communications (Cambridge, England)","2024","60","89","13051","13054","10.1039/d4cc04798b","","x-ray","1.54184","CuKα","","0.0463","0.0429","","","0.115","0.1176","","","","","","1.073","","","","has coordinates","296289","2024-12-06","15:16:30",""
"7133878","7.2009","0.0009","7.2009","0.0009","7.2009","0.0009","90","","90","","90","","373.39","0.08","100","","100","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- C7 Cl6 N P -","- C6.9996 Cl6 N P -","- C6.9996 Cl6 N P -","1","0.0208333","","Ernst, Moritz J.; Kleoff, Merlin; Voßnacker, Patrick; Thiele, Günther; Müller, Christian; Riedel, Sebastian","A polychloride-enabled synthesis of [NEt<sub>3</sub>Me][PCl<sub>6</sub>] serving as a potential PCl<sub>3</sub>-storage and PCl<sub>5</sub>-reagent.","Chemical communications (Cambridge, England)","2024","60","91","13372","13375","10.1039/d4cc04319g","","","0.71073","MoKα","","0.0663","0.0552","","","0.1497","0.1698","","","","","","1.233","","","","has coordinates","296316","2024-12-06","15:28:07",""
"7133879","7.2477","0.0002","9.2848","0.0003","14.6674","0.0004","99.987","0.001","97.544","0.001","105.341","0.001","920.97","0.05","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 F2 O5 S2 -","- C19 H14 F2 O5 S2 -","- C38 H28 F4 O10 S4 -","2","1","","Kumawat, Sandeep; Natte, Kishore","Accessing structurally diverse aryl difluoromethyl ethers with bromo(difluoro)acetic acid.","Chemical communications (Cambridge, England)","2024","60","94","13935","13938","10.1039/d4cc04782f","","","0.71073","MoKα","","0.0665","0.0526","","","0.1285","0.1374","","","","","","1.051","","","","has coordinates,has disorder","296302","2024-12-06","15:22:57",""
"7133880","13.5013","0.0011","11.448","0.001","9.0667","0.0008","90","","100.556","0.004","90","","1377.7","0.2","304","2","304","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N2 O4 -","- C13 H16 N2 O4 -","- C52 H64 N8 O16 -","4","1","","Naveen, Kumar; Rawat, Vishesh Singh; Verma, Rahul; Gnanamani, Elumalai","Catalyst-free ring opening of azlactones in water microdroplets.","Chemical communications (Cambridge, England)","2024","60","90","13263","13266","10.1039/d4cc04487h","","","0.71073","MoKα","","0.0682","0.0398","","","0.0862","0.1037","","","","","","1.031","","","","has coordinates","296296","2024-12-06","15:19:39",""
"7133881","18.656","0.004","9.9609","0.0018","12.339","0.002","90","","90","","90","","2293","0.7","299","2","299","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C27 H25 N O5 -","- C27 H25 N O5 -","- C108 H100 N4 O20 -","4","1","","Verma, Kshitiz; Bhattacharyya, Hemanga; Saha, Sharajit; Punniyamurthy, Tharmalingam","Expedient (3+3)-annulation of carbonyl ylides with azaoxyallyl cations: formal access to oxa-benzo[<i>c</i>]azepin-3-ones.","Chemical communications (Cambridge, England)","2024","60","91","13368","13371","10.1039/d4cc04946b","","","0.71073","MoKα","","0.0922","0.0603","","","0.1014","0.1133","","","","","","1.201","","","","has coordinates","296317","2024-12-06","15:28:21",""
"7133882","12.63127","0.00006","12.19906","0.00005","22.48435","0.0001","90","","90","","90","","3464.6","0.03","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H17 I N P -","- C18 H17 I N P -","- C144 H136 I8 N8 P8 -","8","1","","Fayafrou, Oussama; Lognon, Elise; Duhayon, Carine; Sortais, Jean-Baptiste; Monari, Antonio; Baslé, Olivier; Canac, Yves","Photoluminescent ruthenium(II) bipyridyl complexes containing phosphonium ylide ligands.","Chemical communications (Cambridge, England)","2024","60","92","13602","13605","10.1039/d4cc05050a","","","1.54184","CuKα","","0.0343","0.0341","","0.0955","0.0952","0.0955","","","","","","0.9675","","","","has coordinates","296312","2024-12-06","15:26:42",""
"7133883","24.3853","0.0006","12.6612","0.0001","13.1682","0.0001","90","","98.506","0.002","90","","4020.92","0.11","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 F6 N P2 -","- C18 H17 F6 N P2 -","- C144 H136 F48 N8 P16 -","8","1","","Fayafrou, Oussama; Lognon, Elise; Duhayon, Carine; Sortais, Jean-Baptiste; Monari, Antonio; Baslé, Olivier; Canac, Yves","Photoluminescent ruthenium(II) bipyridyl complexes containing phosphonium ylide ligands.","Chemical communications (Cambridge, England)","2024","60","92","13602","13605","10.1039/d4cc05050a","","","1.5418","CuKα","","0.0329","0.0326","","0.0878","0.0875","0.0878","","","","","","0.9861","","","","has coordinates","296312","2024-12-06","15:26:44",""
"7133884","10.9068","0.0001","15.3075","0.0001","17.2234","0.0001","90","","92.768","0.001","90","","2872.19","0.04","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 Cl F6 N P2 Ru -","- C28 H30 Cl F6 N P2 Ru -","- C112 H120 Cl4 F24 N4 P8 Ru4 -","4","1","","Fayafrou, Oussama; Lognon, Elise; Duhayon, Carine; Sortais, Jean-Baptiste; Monari, Antonio; Baslé, Olivier; Canac, Yves","Photoluminescent ruthenium(II) bipyridyl complexes containing phosphonium ylide ligands.","Chemical communications (Cambridge, England)","2024","60","92","13602","13605","10.1039/d4cc05050a","","","1.5418","CuKα","","0.0244","0.024","","0.0674","0.0669","0.0674","","","","","","0.9727","","","","has coordinates","296312","2024-12-06","15:26:44",""
"7133885","11.9873","0.0001","12.2991","0.0001","13.4048","0.0001","100.976","0.001","100.112","0.001","106.324","0.001","1806.06","0.03","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H30.5 F12 N5.5 O0.5 P3 Ru -","- C27 H29.5 F12 N5.5 O0.5 P3 Ru -","- C54 H59 F24 N11 O P6 Ru2 -","2","1","","Fayafrou, Oussama; Lognon, Elise; Duhayon, Carine; Sortais, Jean-Baptiste; Monari, Antonio; Baslé, Olivier; Canac, Yves","Photoluminescent ruthenium(II) bipyridyl complexes containing phosphonium ylide ligands.","Chemical communications (Cambridge, England)","2024","60","92","13602","13605","10.1039/d4cc05050a","","","1.5418","CuKα","","0.0748","0.0741","","0.1953","0.1946","0.1953","","","","","","0.9826","","","","has coordinates","296312","2024-12-06","15:26:44",""
"7133886","11.9812","0.0001","13.8864","0.0001","14.5882","0.0002","95.3","0.001","110.311","0.001","92.43","0.001","2259.26","0.04","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H34 Cl2 F12 N5 P3 Ru -","- C39 H34 Cl2 F12 N5 P3 Ru -","- C78 H68 Cl4 F24 N10 P6 Ru2 -","2","1","","Fayafrou, Oussama; Lognon, Elise; Duhayon, Carine; Sortais, Jean-Baptiste; Monari, Antonio; Baslé, Olivier; Canac, Yves","Photoluminescent ruthenium(II) bipyridyl complexes containing phosphonium ylide ligands.","Chemical communications (Cambridge, England)","2024","60","92","13602","13605","10.1039/d4cc05050a","","","1.54184","CuKα","","0.0728","0.0705","","0.2065","0.2035","0.2065","","","","","","0.9579","","","","has coordinates","296312","2024-12-06","15:26:44",""
"7133887","5.1122","0.001","13.527","0.003","26.011","0.006","90","","90","","90","","1798.7","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C2.4 H2.67 F0.13 N0.13 O0.93 -","- C2.4 H2.66667 F0.133333 N0.133333 O0.933333 -","- C72 H80 F4 N4 O28 -","30","7.5","","Zargar, Irshad Ahmad; Rasool, Bisma; Bappa, S. K.; Mukherjee, Debaraj","Anomeric oxyacetamide assisted site-selective C-2 arylation and its application in <i>O</i>/<i>S</i> glycosylation of 2,3 eno-pyranoside.","Chemical communications (Cambridge, England)","2024","60","89","13040","13043","10.1039/d4cc04301d","","","0.71073","MoKα","","0.0291","0.0283","","","0.0731","0.0735","","","","","","1.068","","","","has coordinates","296291","2024-12-06","15:17:05",""
"7133888","12.67","0.07","3.55","0.11","8.87","0.09","90","","90","","90","","399","13","293","5","293","5","","","","","","","","6","P m m a","-P 2a 2a","51","","","","- C6 H4 Cl2 N2 Ni S -","- C6 H4 Cl2 N2 Ni S -","- C12 H8 Cl4 N4 Ni2 S2 -","2","0.25","","Myatt, Emily; Lata, Simrun; Pitcairn, Jem; Daisenberger, Dominik; Kronawitter, Silva M.; Hallweger, Sebastian A.; Kieslich, Gregor; Argent, Stephen P.; Tidey, Jeremiah P.; Cliffe, Matthew J.","Ligand solid-solution tuning of magnetic and mechanical properties of the van der Waals metal-organic magnet NiCl<sub>2</sub>(btd)<sub>1-<i>x</i></sub>(bod)<sub><i>x</i></sub>.","Chemical communications (Cambridge, England)","2024","60","97","14427","14430","10.1039/d4cc04214j","","electron","0.0251","electron","","0.1478","0.1214","","","0.2743","0.2826","","","","","","1.5416","","","","has coordinates,has disorder","296262","2024-12-06","14:58:01",""
"7133889","14.1275","0.0019","14.1275","0.0019","6.862","0.0014","90","","90","","90","","1369.6","0.4","120","2","120","2","","","","","","","","6","P 42 b c","P 4c -2ab","106","","nickel dichloride bis 2,1,3-benzoxadiazole","","- C12 H8 Cl2 N4 Ni O2 -","- C12 H8 Cl2 N4 Ni O2 -","- C48 H32 Cl8 N16 Ni4 O8 -","4","0.5","","Myatt, Emily; Lata, Simrun; Pitcairn, Jem; Daisenberger, Dominik; Kronawitter, Silva M.; Hallweger, Sebastian A.; Kieslich, Gregor; Argent, Stephen P.; Tidey, Jeremiah P.; Cliffe, Matthew J.","Ligand solid-solution tuning of magnetic and mechanical properties of the van der Waals metal-organic magnet NiCl<sub>2</sub>(btd)<sub>1-<i>x</i></sub>(bod)<sub><i>x</i></sub>.","Chemical communications (Cambridge, England)","2024","60","97","14427","14430","10.1039/d4cc04214j","","x-ray","1.54184","CuKα","","0.0944","0.0507","","","0.1","0.1217","","","","","","1.059","","","","has coordinates","296262","2024-12-06","14:58:03",""
"7133890","3.52","0.07","8.96","0.09","12.17","0.08","90","","93.05","0.15","90","","383","9","293","5","293","5","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C6 H4 Cl2 N2 Ni O -","- C6 H4 Cl2 N2 Ni O -","- C12 H8 Cl4 N4 Ni2 O2 -","2","0.5","","Myatt, Emily; Lata, Simrun; Pitcairn, Jem; Daisenberger, Dominik; Kronawitter, Silva M.; Hallweger, Sebastian A.; Kieslich, Gregor; Argent, Stephen P.; Tidey, Jeremiah P.; Cliffe, Matthew J.","Ligand solid-solution tuning of magnetic and mechanical properties of the van der Waals metal-organic magnet NiCl<sub>2</sub>(btd)<sub>1-<i>x</i></sub>(bod)<sub><i>x</i></sub>.","Chemical communications (Cambridge, England)","2024","60","97","14427","14430","10.1039/d4cc04214j","","electron","0.0251","electron","","0.1782","0.1621","","","0.4313","0.4444","","","","","","1.7474","","","","has coordinates","296262","2024-12-06","14:58:03",""
"7133891","9.4539","0.0005","16.8444","0.0009","13.8253","0.0008","90","","109.865","0.007","90","","2070.6","0.2","150","2","149.9","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Br N2 P -","- C22 H26 Br N2 P -","- C88 H104 Br4 N8 P4 -","4","1","","Clark, Ella F.; Dunstan, Estelle; Kociok-Köhn, Gabriele; Buchard, Antoine","Aminophosphonium organocatalysts for the ring-opening copolymerisation of epoxide and cyclic anhydride.","Chemical communications (Cambridge, England)","2024","60","89","13067","13070","10.1039/d4cc03947e","","x-ray","0.71073","MoKα","","0.0629","0.0494","","","0.1427","0.1511","","","","","","1.048","","","","has coordinates","296295","2024-12-06","15:19:04",""
"7133892","11.1188","0.0004","18.1495","0.0006","21.2078","0.0007","90","","90","","90","","4279.7","0.3","150","2","149.9","0.7","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H23 Br N P -","- C25 H23 Br N P -","- C200 H184 Br8 N8 P8 -","8","1","","Clark, Ella F.; Dunstan, Estelle; Kociok-Köhn, Gabriele; Buchard, Antoine","Aminophosphonium organocatalysts for the ring-opening copolymerisation of epoxide and cyclic anhydride.","Chemical communications (Cambridge, England)","2024","60","89","13067","13070","10.1039/d4cc03947e","","x-ray","0.71073","MoKα","","0.0717","0.0397","","","0.071","0.081","","","","","","1.015","","","","has coordinates","296295","2024-12-06","15:19:05",""
"7133893","13.1577","0.0013","7.0592","0.0009","7.8332","0.0007","90","","90","","90","","727.57","0.13","302","","302","","","","","","","","","5","P n m a","-P 2ac 2n","62","","K2C2O4.B(OH)3","","- C2 H3 B K2 O7 -","- C2 H3 B K2 O7 -","- C8 H12 B4 K8 O28 -","4","0.5","","Wang, Xiao; Han, Tingwen; Poeppelmeier, Kenneth R.; Hou, Xueling; Pan, Shilie; Zhang, Fangfang","Exploring short-wavelength birefringent crystals <i>via</i> triggering cooperative arrangement between different π-conjugated groups.","Chemical communications (Cambridge, England)","2024","60","92","13566","13569","10.1039/d4cc05266h","","","0.71073","MoKα","","0.052","0.0327","","","0.0742","0.0826","","","","","","1.055","","","","has coordinates","296311","2024-12-06","15:26:28",""
"7133894","11.2578","0.0015","24.484","0.003","3.9326","0.0006","90","","90","","90","","1084","0.3","152","","302","","","","","","","","","5","P b a m","-P 2 2ab","55","","Cs4(HC2O4)2(C2O4).[B(OH)3]2","","- C6 H8 B2 Cs4 O18 -","- C6 H8 B2 Cs4 O18 -","- C12 H16 B4 Cs8 O36 -","2","0.25","","Wang, Xiao; Han, Tingwen; Poeppelmeier, Kenneth R.; Hou, Xueling; Pan, Shilie; Zhang, Fangfang","Exploring short-wavelength birefringent crystals <i>via</i> triggering cooperative arrangement between different π-conjugated groups.","Chemical communications (Cambridge, England)","2024","60","92","13566","13569","10.1039/d4cc05266h","","","0.71073","MoKα","","0.0644","0.034","","","0.0642","0.0725","","","","","","1.046","","","","has coordinates","296311","2024-12-06","15:26:28",""
"7133895","9.8987","0.0007","21.3915","0.0015","20.2646","0.0015","90","","96.076","0.003","90","","4266.9","0.5","304","2","304","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C34 H20 -","- C34 H20 -","- C272 H160 -","8","2","","Bharathi, Kabali Divya; Mohanakrishnan, Arasambattu K.","Serendipitous synthesis of phenanthrene derivatives by exploiting electrocyclization during thermolysis of Diels-Alder intermediate dihydrodibenzothiophene-<i>S</i>,<i>S</i>-dioxides.","Chemical communications (Cambridge, England)","2024","60","92","13590","13593","10.1039/d4cc04572f","","","0.71073","MoKα","","0.118","0.0593","","","0.183","0.2582","","","","","","0.768","","","","has coordinates","296314","2024-12-06","15:27:35",""
"7133896","10.7358","0.0017","7.263","0.0011","22.198","0.004","90","","95.021","0.005","90","","1724.2","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 O2 S -","- C24 H14 O2 S -","- C96 H56 O8 S4 -","4","1","","Bharathi, Kabali Divya; Mohanakrishnan, Arasambattu K.","Serendipitous synthesis of phenanthrene derivatives by exploiting electrocyclization during thermolysis of Diels-Alder intermediate dihydrodibenzothiophene-<i>S</i>,<i>S</i>-dioxides.","Chemical communications (Cambridge, England)","2024","60","92","13590","13593","10.1039/d4cc04572f","","","0.71073","MoKα","","0.157","0.1406","","","0.362","0.3769","","","","","","1.106","","","","has coordinates","296314","2024-12-06","15:27:39",""
"7133897","12.1839","0.0009","13.885","0.001","16.4844","0.0012","91.638","0.002","102.362","0.002","91.987","0.002","2720.6","0.3","304","2","304","2","","","","","","","","3","P -1","-P 1","2","","","","- C76 H56 O4 -","- C76 H56 O4 -","- C152 H112 O8 -","2","1","","Bharathi, Kabali Divya; Mohanakrishnan, Arasambattu K.","Serendipitous synthesis of phenanthrene derivatives by exploiting electrocyclization during thermolysis of Diels-Alder intermediate dihydrodibenzothiophene-<i>S</i>,<i>S</i>-dioxides.","Chemical communications (Cambridge, England)","2024","60","92","13590","13593","10.1039/d4cc04572f","","","0.71073","MoKα","","0.1243","0.0581","","","0.1444","0.1905","","","","","","1.072","","","","has coordinates","296314","2024-12-06","15:27:39",""
"7133898","12.8414","0.0007","18.5591","0.0011","10.0685","0.0006","90","","90","","90","","2399.6","0.2","304","2","304","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C32 H20 O2 S2 -","- C32 H20 O2 S2 -","- C128 H80 O8 S8 -","4","1","","Bharathi, Kabali Divya; Mohanakrishnan, Arasambattu K.","Serendipitous synthesis of phenanthrene derivatives by exploiting electrocyclization during thermolysis of Diels-Alder intermediate dihydrodibenzothiophene-<i>S</i>,<i>S</i>-dioxides.","Chemical communications (Cambridge, England)","2024","60","92","13590","13593","10.1039/d4cc04572f","","","0.71073","MoKα","","0.0835","0.0506","","","0.1175","0.1384","","","","","","1.057","","","","has coordinates,has disorder","296314","2024-12-06","15:27:39",""
"7133899","11.434","0.008","22.093","0.018","9.934","0.009","90","","96.97","0.03","90","","2491","4","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 -","- C36 H24 -","- C144 H96 -","4","1","","Bharathi, Kabali Divya; Mohanakrishnan, Arasambattu K.","Serendipitous synthesis of phenanthrene derivatives by exploiting electrocyclization during thermolysis of Diels-Alder intermediate dihydrodibenzothiophene-<i>S</i>,<i>S</i>-dioxides.","Chemical communications (Cambridge, England)","2024","60","92","13590","13593","10.1039/d4cc04572f","","","0.71073","MoKα","","0.069","0.0475","","","0.1736","0.2211","","","","","","0.907","","","","has coordinates","296314","2024-12-06","15:27:39",""
"7133900","7.2278","0.0008","22.429","0.006","9.66","0.007","90","","98.99","0.03","90","","1546.8","1.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","rac-(3aR,9bR)-3a-hydroxy-3-phenyl-3a,4,5,9b-tetrahydronaphtho[2,1-d]thiazole-2(3H)-thione","","- C17 H15 N O S2 -","- C17 H15 N O S2 -","- C68 H60 N4 O4 S8 -","4","1","","Nguyen, Le Anh; Ngo, Quoc Anh; Retailleau, Pascal; Nguyen, Thanh Binh","Room temperature dithiocarbamation of 2-tetralones with elemental sulfur and isothiocyanates S<sub>8</sub>/R-NCS: atom-efficient access to 4-hydroxythiazolidine-2-thiones.","Chemical communications (Cambridge, England)","2024","60","92","13586","13589","10.1039/d4cc05053c","","x-ray","0.71073","MoKα","","0.0414","0.0326","","","0.0829","0.0873","","","","","","0.985","","","","has coordinates","296313","2024-12-06","15:27:03",""
"7133901","11.1398","0.001","14.0582","0.001","10.5753","0.0009","90","","106.341","0.009","90","","1589.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","'8-methoxy-3-phenyl-4,5-dihydronaphtho[2,1-d]thiazole-2(3H)-thione'","","- C18 H15 N O S2 -","- C18 H15 N O S2 -","- C72 H60 N4 O4 S8 -","4","1","","Nguyen, Le Anh; Ngo, Quoc Anh; Retailleau, Pascal; Nguyen, Thanh Binh","Room temperature dithiocarbamation of 2-tetralones with elemental sulfur and isothiocyanates S<sub>8</sub>/R-NCS: atom-efficient access to 4-hydroxythiazolidine-2-thiones.","Chemical communications (Cambridge, England)","2024","60","92","13586","13589","10.1039/d4cc05053c","","x-ray","0.71073","MoKα","","0.0491","0.0281","","","0.0492","0.0537","","","","","","1.0354","","","","has coordinates","296313","2024-12-06","15:27:05",""
"7133902","31.023","0.005","8.7121","0.0014","17.796","0.003","90","","90","","90","","4809.8","1.4","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C25 H28 N2 O2 S2 -","- C25 H28 N2 O2 S2 -","- C200 H224 N16 O16 S16 -","8","2","","Lee, Minji; Noh, Hyunju; Kim, Youngsuk","Diamidocarbene-derived palladium and nickel-sulfur clusters.","Chemical communications (Cambridge, England)","2024","60","94","13867","13870","10.1039/d4cc04582c","","","0.71073","MoKα","","0.1063","0.0753","","","0.1641","0.1916","","","","","","1.02","","","","has coordinates","296304","2024-12-06","15:23:59",""
"7133903","14.1896","0.0015","16.1897","0.0018","25.073","0.002","89.342","0.004","89.718","0.004","66.28","0.004","5273","0.9","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C106.75 H125.53 N9.68 Ni3 O8.85 S8 -","- C106.756 H125.53 N9.68 Ni3 O8.849 S8 -","- C213.512 H251.06 N19.36 Ni6 O17.698 S16 -","2","1","","Lee, Minji; Noh, Hyunju; Kim, Youngsuk","Diamidocarbene-derived palladium and nickel-sulfur clusters.","Chemical communications (Cambridge, England)","2024","60","94","13867","13870","10.1039/d4cc04582c","","","0.71073","MoKα","","0.1185","0.0887","","","0.2396","0.2797","","","","","","1.047","","","","has coordinates,has disorder","296304","2024-12-06","15:24:00",""
"7133904","15.1195","0.0005","15.562","0.0005","21.9749","0.0007","89.159","0.001","83.597","0.001","76.313","0.001","4991.9","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C102 H115 N9 O8 Pd4 S8 -","- C102 H115 N9 O8 Pd4 S8 -","- C204 H230 N18 O16 Pd8 S16 -","2","1","","Lee, Minji; Noh, Hyunju; Kim, Youngsuk","Diamidocarbene-derived palladium and nickel-sulfur clusters.","Chemical communications (Cambridge, England)","2024","60","94","13867","13870","10.1039/d4cc04582c","","","0.71073","MoKα","","0.0322","0.0248","","","0.0547","0.0603","","","","","","1.076","","","","has coordinates,has disorder","296304","2024-12-06","15:24:00",""
"7133905","15.1288","0.0008","15.5209","0.0008","21.5815","0.0012","89.171","0.002","84.225","0.002","76.607","0.002","4904.6","0.5","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C102 H115 N9 Ni4 O8 S8 -","- C102 H115 N9 Ni4 O8 S8 -","- C204 H230 N18 Ni8 O16 S16 -","2","1","","Lee, Minji; Noh, Hyunju; Kim, Youngsuk","Diamidocarbene-derived palladium and nickel-sulfur clusters.","Chemical communications (Cambridge, England)","2024","60","94","13867","13870","10.1039/d4cc04582c","","","0.71073","MoKα","","0.0517","0.0333","","","0.0839","0.0916","","","","","","1.011","","","","has coordinates","296304","2024-12-06","15:24:00",""
"7133906","11.344","0.0009","12.2584","0.0007","14.3901","0.0013","90","","112.637","0.01","90","","1846.9","0.3","410","0.1","410","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Cl4 Cu N4 -","- C12 H18 Cl4 Cu N4 -","- C48 H72 Cl16 Cu4 N16 -","4","0.5","","Deng, Xin; Zhou, Lin; Yan, Xin; Wang, Yan-Juan; Yang, Wen-Li; Lv, Hui-Peng; Tang, Yuan-Yuan","Hydrogen-bond Engineering Induced Ferroelastic Phase Transition in Copper-based Organic-Inorganic Hybrid Thermochromic Materials","Chemical Communications","2024","","","","","10.1039/D4CC04373A","","x-ray","1.54184","CuKα","","0.0838","0.069","","","0.2029","0.2557","","","","","","1.0162","","","","has coordinates","295662","2024-10-29","22:50:37",""
"7133907","13.3776","0.0003","8.3515","0.0002","15.9482","0.0003","90","","93.345","0.002","90","","1778.75","0.07","299.12","0.1","299.12","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Cl4 Cu N4 -","- C12 H18 Cl4 Cu N4 -","- C48 H72 Cl16 Cu4 N16 -","4","0.5","","Deng, Xin; Zhou, Lin; Yan, Xin; Wang, Yan-Juan; Yang, Wen-Li; Lv, Hui-Peng; Tang, Yuan-Yuan","Hydrogen-bond Engineering Induced Ferroelastic Phase Transition in Copper-based Organic-Inorganic Hybrid Thermochromic Materials","Chemical Communications","2024","","","","","10.1039/D4CC04373A","","x-ray","1.54184","CuKα","","0.0377","0.0351","","","0.1043","0.1069","","","","","","1.083","","","","has coordinates","295662","2024-10-29","22:50:38",""
"7133908","11.3689","0.0018","12.3269","0.0011","14.343","0.003","90","","113.26","0.02","90","","1846.7","0.6","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Cl4 Cu N4 -","- C12 H18 Cl4 Cu N4 -","- C48 H72 Cl16 Cu4 N16 -","4","0.5","","Deng, Xin; Zhou, Lin; Yan, Xin; Wang, Yan-Juan; Yang, Wen-Li; Lv, Hui-Peng; Tang, Yuan-Yuan","Hydrogen-bond Engineering Induced Ferroelastic Phase Transition in Copper-based Organic-Inorganic Hybrid Thermochromic Materials","Chemical Communications","2024","","","","","10.1039/D4CC04373A","","","0.71073","MoKα","","0.0975","0.0564","","","0.1462","0.1843","","","","","","1.0808","","","","has coordinates","295662","2024-10-29","22:50:38",""
"7133909","6.013","0.0002","16.5709","0.0004","17.6278","0.0004","90","","90","","90","","1756.45","0.08","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O S Si -","- C19 H22 O S Si -","- C76 H88 O4 S4 Si4 -","4","1","","Ding, Yang; Ke, Jie; Zhang, Wenbin; Li, Bin; He, Chuan","Rhodium-catalyzed synthesis of Si-stereogenic alkoxysilanes and silyl enol ethers <i>via</i> hydrosilylation of carbonyl compounds.","Chemical communications (Cambridge, England)","2024","60","93","13734","13737","10.1039/d4cc05360e","","x-ray","1.54178","CuKα","","0.0295","0.0293","","","0.0758","0.0759","","","","","","1.125","","","","has coordinates","296277","2024-12-06","15:09:17",""
"7133910","21.429","0.006","20.658","0.006","12.85","0.004","90","","97.93","0.01","90","","5634","3","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C121 H150 O23 -","- C121 H150 O22.5 -","- C242 H300 O45 -","2","0.25","","Wang, Aopu; Zhao, Xueru; Zhang, Hui; Ding, Yanjun; Xue, Min; Shao, Li","Charge-transfer host-guest complexes based on pillar[<i>n</i>]arenes and quinonoid compounds for near-infrared photothermal conversion.","Chemical communications (Cambridge, England)","2024","60","93","13722","13725","10.1039/d4cc04620j","","x-ray","1.54178","CuKα","","0.1729","0.1198","","","0.2736","0.3043","","","","","","1.022","","","","has coordinates,has disorder","296278","2024-12-06","15:09:36",""
"7133911","46.908","0.004","15.5822","0.0016","16.4942","0.0014","90","","94.71","0.007","90","","12015.4","1.9","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C244 H322 Cl4 O42 -","- C244 H322 Cl4 O42 -","- C488 H644 Cl8 O84 -","2","1","","Wang, Aopu; Zhao, Xueru; Zhang, Hui; Ding, Yanjun; Xue, Min; Shao, Li","Charge-transfer host-guest complexes based on pillar[<i>n</i>]arenes and quinonoid compounds for near-infrared photothermal conversion.","Chemical communications (Cambridge, England)","2024","60","93","13722","13725","10.1039/d4cc04620j","","","1.54184","CuKα","","0.223","0.1476","","","0.3423","0.3952","","","","","","1.034","","","","has coordinates,has disorder","296278","2024-12-06","15:09:36",""
"7133912","8.7117","0.0002","7.2609","0.0002","26.2516","0.0007","90","","90","","90","","1660.54","0.07","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 B10 O2 S -","- C10 H20 B10 O2 S -","- C40 H80 B40 O8 S4 -","4","1","","Minematsu, Natsuki; Nishii, Yuji; Hirano, Koji","Pd-Catalysed synthesis of carborane sulfides from carborane thiols.","Chemical communications (Cambridge, England)","2024","","","","","10.1039/d4cc03934c","","x-ray","1.54184","CuKα","","0.0996","0.088","","","0.2467","0.2553","","","","","","1.762","","","","has coordinates,has disorder","295695","2024-10-31","22:49:48",""
"7133913","9.4038","0.001","10.9694","0.0013","7.4547","0.001","90","","100.726","0.004","90","","755.55","0.16","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 N2 O4 -","- C7 H6 N2 O4 -","- C28 H24 N8 O16 -","4","1","","Harsha, Priyasha; Das, Dinabandhu","Bidirectional strain release in a thermosalient organic salt crystal induced by anisotropic thermal expansion and phase transformation.","Chemical communications (Cambridge, England)","2024","60","95","14105","14108","10.1039/d4cc04764h","","","0.71073","MoKα","","0.0352","0.0332","","","0.0926","0.0943","","","","","","1.055","","","","has coordinates","296323","2024-12-06","15:31:00",""
"7133914","9.4072","0.001","10.9721","0.0013","7.5088","0.001","90","","100.453","0.004","90","","762.17","0.16","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 N2 O4 -","- C7 H6 N2 O4 -","- C28 H24 N8 O16 -","4","1","","Harsha, Priyasha; Das, Dinabandhu","Bidirectional strain release in a thermosalient organic salt crystal induced by anisotropic thermal expansion and phase transformation.","Chemical communications (Cambridge, England)","2024","60","95","14105","14108","10.1039/d4cc04764h","","","0.71073","MoKα","","0.0378","0.0356","","","0.1048","0.1071","","","","","","1.072","","","","has coordinates","296323","2024-12-06","15:31:02",""
"7133915","9.3773","0.001","10.9848","0.0013","7.5143","0.0008","90","","100.458","0.004","90","","761.17","0.15","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 N2 O4 -","- C7 H6 N2 O4 -","- C28 H24 N8 O16 -","4","1","","Harsha, Priyasha; Das, Dinabandhu","Bidirectional strain release in a thermosalient organic salt crystal induced by anisotropic thermal expansion and phase transformation.","Chemical communications (Cambridge, England)","2024","60","95","14105","14108","10.1039/d4cc04764h","","","0.71073","MoKα","","0.0384","0.0357","","","0.1052","0.108","","","","","","1.094","","","","has coordinates","296323","2024-12-06","15:31:02",""
"7133916","9.3808","0.001","10.9778","0.0013","7.5597","0.0008","90","","100.221","0.004","90","","766.15","0.15","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 N2 O4 -","- C7 H6 N2 O4 -","- C28 H24 N8 O16 -","4","1","","Harsha, Priyasha; Das, Dinabandhu","Bidirectional strain release in a thermosalient organic salt crystal induced by anisotropic thermal expansion and phase transformation.","Chemical communications (Cambridge, England)","2024","60","95","14105","14108","10.1039/d4cc04764h","","","0.71073","MoKα","","0.0417","0.0375","","","0.1069","0.1112","","","","","","1.037","","","","has coordinates","296323","2024-12-06","15:31:02",""
"7133917","9.4094","0.001","10.9728","0.0012","7.5549","0.001","90","","100.201","0.004","90","","767.69","0.16","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 N2 O4 -","- C7 H6 N2 O4 -","- C28 H24 N8 O16 -","4","1","","Harsha, Priyasha; Das, Dinabandhu","Bidirectional strain release in a thermosalient organic salt crystal induced by anisotropic thermal expansion and phase transformation.","Chemical communications (Cambridge, England)","2024","60","95","14105","14108","10.1039/d4cc04764h","","","0.71073","MoKα","","0.0405","0.0376","","","0.1068","0.1096","","","","","","1.021","","","","has coordinates","296323","2024-12-06","15:31:02",""
"7133918","9.3883","0.001","10.9737","0.0014","7.6099","0.0009","90","","99.955","0.004","90","","772.2","0.16","350","2","350","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 N2 O4 -","- C7 H6 N2 O4 -","- C28 H24 N8 O16 -","4","1","","Harsha, Priyasha; Das, Dinabandhu","Bidirectional strain release in a thermosalient organic salt crystal induced by anisotropic thermal expansion and phase transformation.","Chemical communications (Cambridge, England)","2024","60","95","14105","14108","10.1039/d4cc04764h","","","0.71073","MoKα","","0.0461","0.0405","","","0.1156","0.1215","","","","","","1.047","","","","has coordinates","296323","2024-12-06","15:31:02",""
"7133919","7.264","0.004","21.365","0.011","9.973","0.005","90","","100.19","0.02","90","","1523.3","1.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 N2 O4 -","- C7 H6 N2 O4 -","- C56 H48 N16 O32 -","8","2","","Harsha, Priyasha; Das, Dinabandhu","Bidirectional strain release in a thermosalient organic salt crystal induced by anisotropic thermal expansion and phase transformation.","Chemical communications (Cambridge, England)","2024","60","95","14105","14108","10.1039/d4cc04764h","","","0.71073","MoKα","","0.2746","0.1629","","","0.4178","0.4805","","","","","","1.385","","","","has coordinates","296323","2024-12-06","15:31:02",""
"7133920","9.4017","0.0011","10.963","0.0015","7.6527","0.0009","90","","99.639","0.005","90","","777.63","0.17","400","2","400","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 N2 O4 -","- C7 H6 N2 O4 -","- C28 H24 N8 O16 -","4","1","","Harsha, Priyasha; Das, Dinabandhu","Bidirectional strain release in a thermosalient organic salt crystal induced by anisotropic thermal expansion and phase transformation.","Chemical communications (Cambridge, England)","2024","60","95","14105","14108","10.1039/d4cc04764h","","","0.71073","MoKα","","0.0539","0.0461","","","0.1321","0.1395","","","","","","1.071","","","","has coordinates","296323","2024-12-06","15:31:02",""
"7133921","9.427","0.0012","10.9529","0.0016","7.6965","0.001","90","","99.34","0.005","90","","784.15","0.18","450","2","450","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 N2 O4 -","- C7 H6 N2 O4 -","- C28 H24 N8 O16 -","4","1","","Harsha, Priyasha; Das, Dinabandhu","Bidirectional strain release in a thermosalient organic salt crystal induced by anisotropic thermal expansion and phase transformation.","Chemical communications (Cambridge, England)","2024","60","95","14105","14108","10.1039/d4cc04764h","","","0.71073","MoKα","","0.065","0.0519","","","0.1509","0.161","","","","","","1.083","","","","has coordinates","296323","2024-12-06","15:31:02",""
"7133922","15.3821","0.0002","16.7184","0.0004","23.3719","0.0003","102.612","0.002","104.135","0.001","93.651","0.001","5644.16","0.18","123","0.1","123.15","","","","","","","","","6","P -1","-P 1","2","Ru(BPPy)(CO)(MeCN)","acetonitrilecarbonyl{5,10,15,20-tetrakis(4-(7-tert-butyl)-pyrene-2-yl)phenyl)porphyrinato}ruthenium(II)","","- C136 H108 Cl3 N9 O Ru -","- C136 H108 Cl3 N9 O Ru -","- C272 H216 Cl6 N18 O2 Ru2 -","2","1","","Yoneda, Akira; Watanabe, Taito; Kosugi, Kento; Takahara, Teppei; Kusaka, Shinpei; Matsuda, Ryotaro; Saga, Yutaka; Kambe, Tetsuya; Kondo, Mio; Masaoka, Shigeyuki","Development of a Ru-porphyrin-based supramolecular framework catalyst for styrene epoxidation.","Chemical communications (Cambridge, England)","2024","60","94","13939","13942","10.1039/d4cc03868a","","","0.71073","MoKα","","0.1148","0.082","","","0.2286","0.2499","","","","","","1.054","","","","has coordinates,has disorder","296303","2024-12-06","15:23:15",""
"7133923","7.886","0.0006","16.7298","0.001","19.9827","0.001","112.717","0.005","94.736","0.005","95.806","0.005","2398","0.3","122.8","0.6","123.15","","","","","","","","","5","P -1","-P 1","2","","aquacarbonyl(5,10,15,20-tetrakis(4-(7-tert-butyl)-pyrene-2-yl)phenyl)porphyrinato)ruthenium(II)","","- C125 H92 N4 O2 Ru -","- C125 H92 N4 O2 Ru -","- C125 H92 N4 O2 Ru -","1","0.5","","Yoneda, Akira; Watanabe, Taito; Kosugi, Kento; Takahara, Teppei; Kusaka, Shinpei; Matsuda, Ryotaro; Saga, Yutaka; Kambe, Tetsuya; Kondo, Mio; Masaoka, Shigeyuki","Development of a Ru-porphyrin-based supramolecular framework catalyst for styrene epoxidation.","Chemical communications (Cambridge, England)","2024","60","94","13939","13942","10.1039/d4cc03868a","","","0.71073","MoKα","","0.1569","0.0638","","","0.1149","0.1417","","","","","","0.948","","","","has coordinates,has disorder","296303","2024-12-06","15:23:15",""
"7133924","18.3396","0.0014","12.3007","0.0012","28.775","0.002","90","","110.005","0.008","90","","6099.7","0.9","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H48 Cl8 F8 O -","- C64 H48 Cl8 F8 O -","- C256 H192 Cl32 F32 O4 -","4","0.5","","Imoto, Daiki; Shudo, Hiroki; Mizukami, Kiichi; Kimizuka, Nobuo; Yagi, Akiko; Itami, Kenichiro","Synthesis and size-dependent properties of multiple sizes of chlorinated fluorocycloparaphenylenes.","Chemical communications (Cambridge, England)","2024","60","86","12585","12588","10.1039/d4cc03336a","","","0.71073","MoKα","","0.0869","0.0611","","","0.1481","0.1582","","","","","","1.05","","","","has coordinates,has disorder","295741","2024-11-04","05:49:23",""
"7133925","11.9887","0.0005","11.9887","0.0005","39.3782","0.0015","90","","90","","120","","4901.5","0.3","123","2","123","2","","","","","","","","4","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C37 H14 Cl8 F6 -","- C37 H14 Cl8 F6 -","- C222 H84 Cl48 F36 -","6","0.5","","Imoto, Daiki; Shudo, Hiroki; Mizukami, Kiichi; Kimizuka, Nobuo; Yagi, Akiko; Itami, Kenichiro","Synthesis and size-dependent properties of multiple sizes of chlorinated fluorocycloparaphenylenes.","Chemical communications (Cambridge, England)","2024","60","86","12585","12588","10.1039/d4cc03336a","","x-ray","0.71073","MoKα","","0.0586","0.0458","","","0.1023","0.1067","","","","","","1.038","","","","has coordinates","295741","2024-11-04","05:49:26",""
"7133926","9.5254","0.0009","11.8656","0.0011","17.5066","0.0016","86.314","0.002","80.905","0.002","81.884","0.002","1932.4","0.3","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C45 H33 N3 O4 -","- C45 H33 N3 O4 -","- C90 H66 N6 O8 -","2","1","","Wang, Yue; Wei, Xingfu; Xue, Aiqi; Huang, Yue; Qu, Jingping; Wang, Baomin","Construction of atropisomeric benzoxepinone-embedded styrenes <i>via</i> intramolecular [3+2] cycloaddition and catalytic kinetic resolution.","Chemical communications (Cambridge, England)","2024","60","88","12864","12867","10.1039/d4cc04394d","","","0.71073","MoKα","","0.1104","0.077","","","0.2227","0.2382","","","","","","1.094","","","","has coordinates,has disorder","295742","2024-11-04","05:53:55",""
"7133927","13.0367","0.0014","15.1484","0.0018","17.888","0.002","90","","96.818","0.003","90","","3507.6","0.7","263","","263","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H30 N2 O4 -","- C39 H30 N2 O4 -","- C156 H120 N8 O16 -","4","1","","Wang, Yue; Wei, Xingfu; Xue, Aiqi; Huang, Yue; Qu, Jingping; Wang, Baomin","Construction of atropisomeric benzoxepinone-embedded styrenes <i>via</i> intramolecular [3+2] cycloaddition and catalytic kinetic resolution.","Chemical communications (Cambridge, England)","2024","60","88","12864","12867","10.1039/d4cc04394d","","","0.71073","MoKα","","0.0919","0.0748","","","0.2397","0.2512","","","","","","1.088","","","","has coordinates","295742","2024-11-04","05:53:57",""
"7133928","12.669","0.0006","14.2191","0.0007","17.5161","0.0009","90.205","0.002","92.857","0.002","98.28","0.002","3118.4","0.3","","","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C1.891 H1.239 N0.152 O0.022 -","- C1.8913 H1.23913 N0.152174 O0.0217391 -","- C174 H114 N14 O2 -","92","46","","Tu, Zhen-Long; Hu, Li-Yuan; Wang, Jun-Yi; Wang, Cong; Xiao, Xunwen; Luo, Xu-Feng","Ring-extended carbazole modification to activate efficient phosphorescent OLED performance of traditional host materials.","Chemical communications (Cambridge, England)","2024","60","85","12421","12424","10.1039/d4cc04537h","","","0.71073","MoKα","","0.0825","0.0509","","","0.1199","0.1432","","","","","","1.0788","","","","has coordinates","295743","2024-11-04","05:54:50",""
"7133929","18.8651","0.0004","18.8651","0.0004","23.6734","0.0007","90","","90","","120","","7296.4","0.3","298","","298","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","MFM-100_NH3","MFM-100","- C8 H3 Cu N2.2 O4 -","- C8 H3 Cu N1.7 O4 -","- C144 H54 Cu18 N30.6 O72 -","18","0.5","","Lu, Wanpeng; Chen, Yinlin; Wang, Zi; Guo, Lixia; Chen, Jin; Ma, Yujie; Li, Weiyao; Li, Jiangnan; He, Meng; Fan, Mengtian; Sheveleva, Alena M.; Tuna, Floriana; McInnes, Eric J. L.; Frogley, Mark D.; Chater, Philip A.; Dejoie, Catherine; Schröder, Martin; Yang, Sihai","High ammonia adsorption in copper-carboxylate materials: host-guest interactions and crystalline-amorphous-crystalline phase transitions.","Chemical communications (Cambridge, England)","2024","60","85","12385","12388","10.1039/d4cc02604g","powder diffraction","","0.35427","synchrotron","","6.57667","","","","","","","","2.74901","","","","","","","has coordinates","295744","2024-11-04","05:55:12",""
"7133930","12.0803","0.0012","12.3459","0.0012","16.9963","0.0017","105.679","0.004","96.253","0.004","96.29","0.004","2400.3","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C47 H85 Ir O0.5 Si U -","- C47 H85 Ir O0.5 Si U -","- C94 H170 Ir2 O Si2 U2 -","2","1","","Ye, Christopher Z.; Del Rosal, Iker; Ouellette, Erik T.; Hohloch, Stephan; Maron, Laurent; Camp, Clément; Arnold, John","Reduction of CS2 to an ethanetetrathiolate by a hydride-bridged uranium–iridium heterobimetallic complex","Chemical Communications","2024","60","85","12377","12380","10.1039/D4CC02482F","","","0.7288","synchrotron","","0.0461","0.0364","","","0.0824","0.0878","","","","","","1.012","","","","has coordinates,has disorder","295745","2024-11-04","05:55:48",""
"7133931","29.472","0.003","18.083","0.002","17.948","0.002","90","","99.352","0.004","90","","9438.1","1.8","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C96 H166 Ir2 S4 U2 -","- C96 H166 Ir2 S4 U2 -","- C384 H664 Ir8 S16 U8 -","4","0.5","","Ye, Christopher Z.; Del Rosal, Iker; Ouellette, Erik T.; Hohloch, Stephan; Maron, Laurent; Camp, Clément; Arnold, John","Reduction of CS2 to an ethanetetrathiolate by a hydride-bridged uranium–iridium heterobimetallic complex","Chemical Communications","2024","60","85","12377","12380","10.1039/D4CC02482F","","","0.7288","synchrotron","","0.0389","0.0336","","","0.08","0.0831","","","","","","1.032","","","","has coordinates,has disorder","295745","2024-11-04","05:55:49",""
"7133932","14.3261","0.0002","14.3261","0.0002","28.6549","0.0008","90","","90","","90","","5881","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C6 H18 B3 F12 N5 -","- C6 H18 B3 F12 N5 -","- C96 H288 B48 F192 N80 -","16","1","","Moriguchi, Jumpei; Koga, Tomoe; Tsunoji, Nao; Nishihara, Sadafumi; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Solvent-assisted mechanochemical crystallization of the metal-free perovskite solid solution (H<sub>2</sub>dabco, H<sub>2</sub>hmta)NH<sub>4</sub>(BF<sub>4</sub>)<sub>3</sub>.","Chemical communications (Cambridge, England)","2024","60","84","12181","12184","10.1039/d4cc04010d","","x-ray","0.71073","MoKα","","0.0347","0.0301","","","0.0843","0.0874","","","","","","1.061","","","","has coordinates","295746","2024-11-04","05:57:12",""
"7133933","14.6769","0.0008","14.6769","0.0008","14.6769","0.0008","90","","90","","90","","3161.6","0.3","401","","401","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- C10.73 B3 F12 N -","- C10.72 B3 F12 N -","- C85.76 B24 F96 N8 -","8","0.0416667","","Moriguchi, Jumpei; Koga, Tomoe; Tsunoji, Nao; Nishihara, Sadafumi; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Solvent-assisted mechanochemical crystallization of the metal-free perovskite solid solution (H<sub>2</sub>dabco, H<sub>2</sub>hmta)NH<sub>4</sub>(BF<sub>4</sub>)<sub>3</sub>.","Chemical communications (Cambridge, England)","2024","60","84","12181","12184","10.1039/d4cc04010d","","x-ray","0.71073","MoKα","","0.1368","0.1291","","","0.4364","0.4584","","","","","","2.253","","","","has coordinates","295746","2024-11-04","05:57:14",""
"7133934","8.252","0.002","10.694","0.003","12.745","0.003","81.615","0.013","82.031","0.012","80.082","0.014","1088.6","0.5","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C52 H44 N12 O8 -","4","2","","Yadav, Pushpendra; Chatterjee, Deblina; Bhowmick, Suman; Tiwari, Khushboo; Awasthi, Annapurna; Tiwari, Dharmendra Kumar","Autocatalytic and DMSO-promoted regioselective synthesis of pyrimidine-fused quinolines from anilines and barbituric acids.","Chemical communications (Cambridge, England)","2024","60","87","12746","12749","10.1039/d4cc04044a","","","0.71073","MoKα","","0.1704","0.1079","","","0.2378","0.2694","","","","","","1.06","","","","has coordinates","295747","2024-11-04","05:57:46",""
"7133935","38.8022","0.0008","38.8022","0.0008","12.8725","0.0004","90","","90","","90","","19381","0.8","220","0.1","220","0.1","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C60 H38 N5 O25 Zn5.5 -","- C60 H38 N5 O25 Zn5.5 -","- C480 H304 N40 O200 Zn44 -","8","0.5","","Yang, Mei; Yuan, Wenke; Li, Xiu-Yuan; Liu, Bo; Zhou, Huifang","Metal-organic framework with pore contraction and modification by diethylammonium cations for record SO<sub>2</sub>/CO<sub>2</sub> separation.","Chemical communications (Cambridge, England)","2024","60","87","12754","12757","10.1039/d4cc04382k","","x-ray","1.54178","CuKα","","0.0641","0.0517","","","0.1385","0.1482","","","","","","1.021","","","","has coordinates,has disorder","295748","2024-11-04","05:58:18",""
"7133936","12.4692","0.0003","16.0421","0.0004","16.7103","0.0004","113.745","0.002","95.077","0.002","102.135","0.002","2934.75","0.14","179.99","0.1","179.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C100 H180 K4 Lu2 N10 O14 -","- C100 H180 K4 Lu2 N10 O14 -","- C100 H180 K4 Lu2 N10 O14 -","1","0.5","","Chen, Xiao; Xu, Hanhua; Xi, Zhenfeng; Wei, Junnian","A (C<sub>5</sub>Me<sub>5</sub>)/enolamido lutetium dinitrogen complex promoted by deprotonation on the amidinate ligand.","Chemical communications (Cambridge, England)","2024","60","87","12750","12753","10.1039/d4cc04338c","","","0.71073","MoKα","","0.0372","0.0282","","","0.0687","0.0727","","","","","","1.047","","","","has coordinates,has disorder","295749","2024-11-04","05:58:59",""
"7133937","49.9594","0.0007","25.6494","0.0005","20.3764","0.0005","90","","96.014","0.002","90","","25967.2","0.9","179.99","0.1","179.99","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C108 H196 K4 Lu4 N16 O12 -","- C108 H196 K4 Lu4 N16 O12 -","- C864 H1568 K32 Lu32 N128 O96 -","8","1","","Chen, Xiao; Xu, Hanhua; Xi, Zhenfeng; Wei, Junnian","A (C<sub>5</sub>Me<sub>5</sub>)/enolamido lutetium dinitrogen complex promoted by deprotonation on the amidinate ligand.","Chemical communications (Cambridge, England)","2024","60","87","12750","12753","10.1039/d4cc04338c","","","0.71073","MoKα","","0.0695","0.0465","","","0.1113","0.1197","","","","","","1.057","","","","has coordinates,has disorder","295749","2024-11-04","05:59:00",""
"7133938","12.2461","0.0005","17.578","0.0008","17.8214","0.0007","82.377","0.004","88.409","0.003","74.137","0.004","3657.4","0.3","113.15","","113.15","","","","","","","","","3","P -1","-P 1","2","","CBQCz","","- C90 H78 N2 -","- C90 H78 N2 -","- C180 H156 N4 -","2","1","","Tong, Zekun; Dong, Shaoqiang","Boat-to-boat conformation inversions of cyclobis[7,8-(<i>para</i>-quinodimethane)-3,7-(9-(<i>p</i>-tolyl)-9<i>H</i>-carbazole)] in the neutral and tetracationic state.","Chemical communications (Cambridge, England)","2024","60","87","12766","12769","10.1039/d4cc04517c","","x-ray","0.71073","MoKα","","0.1335","0.072","","","0.1706","0.2068","","","","","","1.003","","","","has coordinates","295750","2024-11-04","05:59:28",""
"7133939","23.0317","0.0008","9.3673","0.0004","18.4944","0.0009","90","","112.123","0.002","90","","3696.3","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N2 O -","- C24 H20 N2 O -","- C192 H160 N16 O8 -","8","2","","Yang, Haitao; Pan, Yu; Tian, Yijing; Yu, Kaili; Bai, Yifeng; Jiang, Yonggang; Zhang, Hongbin; Deng, Guogang; Yang, Xiaodong","Intramolecular cyclization of <i>N</i>-aryl amides for the synthesis of 3-amino oxindoles.","Chemical communications (Cambridge, England)","2024","60","95","14125","14128","10.1039/d4cc05259e","","x-ray","0.71073","MoKα","","0.1385","0.0777","","","0.124","0.1462","","","","","","1.103","","","","has coordinates","296322","2024-12-06","15:30:43",""
"7133940","12.7459","0.0004","10.4541","0.0003","13.475","0.0004","90","","111.592","0.004","90","","1669.51","0.1","117","20","117","20","","","","","","","","4","P 1 21/n 1","-P 2yn","14","oNC, 2-nitrosocumene, o-isopropylnitrosobenzene","o-nitrosocumene","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C72 H88 N8 O8 -","4","1","","Rogers, Cory H.; Pradeep, Anu; Galiano, Layla A.; Kelley, S. Ariel; Varadharajan, Ramkumar; Belmore, Ken; Whitt, Logan M.; Li, Yanmei; Champagne, Pier Alexandre; Ramamurthy, Vaidhyanathan; Blackstock, Silas C.","Dynamic covalent and noncovalent assembly of <i>o</i>-nitrosocumene in organic solvents and water.","Chemical communications (Cambridge, England)","2024","60","94","13899","13902","10.1039/d4cc03955f","","x-ray","1.54184","CuKα","","0.0572","0.0465","","","0.1133","0.1192","","","","","","1.041","","","","has coordinates","296301","2024-12-06","15:22:47",""
"7133941","8.4749","0.0006","12.0762","0.0008","15.04","0.001","90","","100.772","0.002","90","","1512.14","0.18","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H20 Cl4 Co N2 O2 -","- C6 H20 Cl4 Co N2 O2 -","- C24 H80 Cl16 Co4 N8 O8 -","4","1","","Dafonte-Rodríguez, Pedro; Delgado-Ferreiro, Ignacio; García-Ben, Javier; Ferradanes-Martínez, Angel; Gelpi, María; Walker, Julian; McMonagle, Charles James; Castro-García, Socorro; Señarís-Rodríguez, María Antonia; Bermúdez-García, Juan Manuel; Sánchez-Andújar, Manuel","Exploring the effect of pressure on the crystal structure and caloric properties of the molecular ionic hybrid [(CH<sub>3</sub>)<sub>3</sub>NOH]<sub>2</sub>[CoCl<sub>4</sub>].","Chemical communications (Cambridge, England)","2024","60","95","14065","14068","10.1039/d4cc05125d","","","0.71073","MoKα","","0.0371","0.0281","","","0.0547","0.0572","","","","","","1.094","","","","has coordinates","296327","2024-12-06","15:34:19",""
"7133942","12.2008","0.0006","8.7001","0.0004","15.4434","0.0008","90","","90","","90","","1639.29","0.14","355","","355","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 Cl4 Co N2 O2 -","- C6 Cl4 Co N2 O2 -","- C24 Cl16 Co4 N8 O8 -","4","0.5","","Dafonte-Rodríguez, Pedro; Delgado-Ferreiro, Ignacio; García-Ben, Javier; Ferradanes-Martínez, Angel; Gelpi, María; Walker, Julian; McMonagle, Charles James; Castro-García, Socorro; Señarís-Rodríguez, María Antonia; Bermúdez-García, Juan Manuel; Sánchez-Andújar, Manuel","Exploring the effect of pressure on the crystal structure and caloric properties of the molecular ionic hybrid [(CH<sub>3</sub>)<sub>3</sub>NOH]<sub>2</sub>[CoCl<sub>4</sub>].","Chemical communications (Cambridge, England)","2024","60","95","14065","14068","10.1039/d4cc05125d","","","0.71073","MoKα","","0.1534","0.114","","","0.3177","0.3578","","","","","","1.594","","","","has coordinates,has disorder","296327","2024-12-06","15:34:21",""
"7133943","5.7762","0.0001","22.1425","0.0004","7.9135","0.0001","90","","92.015","0.002","90","","1011.51","0.03","223","","223","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","glysine ammonium nitrate","","- C2 H13 N5 O8 -","- C2 H13 N5 O8 -","- C8 H52 N20 O32 -","4","1","","Inoue, Kazuki; Nishiwaki, Yosuke; Kumasaki, Mieko; Matsumoto, Shinya; Okada, Ken","Synthesis of environmentally friendly energetic cocrystal derived from commodity chemicals.","Chemical communications (Cambridge, England)","2024","60","94","13963","13966","10.1039/d4cc04037f","","x-ray","1.54184","CuKα","","0.0362","0.0334","","","0.0931","0.0954","","","","","","1.074","","","","has coordinates","296305","2024-12-06","15:24:12",""
"7133944","14.7048","0.0004","23.2163","0.0008","32.0917","0.0009","81.364","0.003","79.536","0.002","89.251","0.002","10650.3","0.6","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C240 H232 Cl16 N8 O8 -","- C240 H232 Cl16 N8 O8 -","- C480 H464 Cl32 N16 O16 -","2","1","","Mirzaei, M. Saeed; Mirzaei, Saber; Espinoza Castro, Victor M.; Lawrence, Charlotte; Hernández Sánchez, Raúl","Dual molecular tweezers extending from a nanohoop.","Chemical communications (Cambridge, England)","2024","60","96","14236","14239","10.1039/d4cc03196b","","x-ray","1.54184","CuKα","","0.3942","0.2792","","","0.6169","0.6673","","","","","","1.879","","","","has coordinates","296331","2024-12-06","15:36:08",""
"7133945","35.673","0.0004","35.673","0.0004","35.673","0.0004","90","","90","","90","","45396.1","0.9","101","2","101","2","","","","","","","","6","F d -3 :2","-F 2uv 2vw 3","203","","","","- C725.6 H557.62 Cl88.8 F192 N48 O24 -","- C725.605 H557.619 Cl88.8 F192 N48 O24.0048 -","- C1451.21 H1115.24 Cl177.6 F384 N96 O48.0096 -","2","0.0208333","","David, Tim; Oestreich, Robert; Pausch, Tobias; Wada, Yuki; Kunde, Tom; Kawano, Masaki; Janiak, Christoph; Schmidt, Bernd M.","Fluorinated vs. non-fluorinated tetrahedral Tri4Tri4 porous organic cages for H2, CO2, and CH4 adsorption","Chemical Communications","2024","","","","","10.1039/D4CC05277C","","","1.54184","CuKα","","0.1417","0.1199","","","0.3399","0.3703","","","","","","1.436","","","","has coordinates,has disorder","295800","2024-11-06","22:53:09",""
"7133946","35.2652","0.0008","35.2652","0.0008","35.2652","0.0008","90","","90","","90","","43857","1.7","150","2","150","2","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","","","- C350.54 H326.54 Cl45 N24 -","- C350.536 H326.544 Cl45 N24 -","- C1402.14 H1306.18 Cl180 N96 -","4","0.0416667","","David, Tim; Oestreich, Robert; Pausch, Tobias; Wada, Yuki; Kunde, Tom; Kawano, Masaki; Janiak, Christoph; Schmidt, Bernd M.","Fluorinated vs. non-fluorinated tetrahedral Tri4Tri4 porous organic cages for H2, CO2, and CH4 adsorption","Chemical Communications","2024","","","","","10.1039/D4CC05277C","","","1.54184","CuKα","","0.142","0.1258","","","0.3244","0.3455","","","","","","1.334","","","","has coordinates,has disorder","295800","2024-11-06","22:53:11",""
"7133947","10.5418","0.0005","12.7822","0.0005","13.0647","0.0006","97.395","0.002","95.008","0.002","107.951","0.002","1645.7","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 I O4 P -","- C16 H18 I O4 P -","- C64 H72 I4 O16 P4 -","4","2","","Koch, Jan Rick; Damrath, Mattis; Nachtsheim, Boris Johannes; Puylaert, Pim","Synthesis of phosphate-stabilized iodanes and their application in intramolecular aryl migrations","Chemical Communications","2024","","","","","10.1039/D4CC04934A","","x-ray","0.71073","MoKα","","0.0215","0.0198","","","0.0477","0.0486","","","","","","1.046","","","","has coordinates","295801","2024-11-06","22:53:44",""
"7133948","22.585","0.003","4.466","0.0006","22.66","0.003","90","","99.875","0.004","90","","2251.7","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 I O5 P -","- C8 H10 I O5 P -","- C64 H80 I8 O40 P8 -","8","1","","Koch, Jan Rick; Damrath, Mattis; Nachtsheim, Boris Johannes; Puylaert, Pim","Synthesis of phosphate-stabilized iodanes and their application in intramolecular aryl migrations","Chemical Communications","2024","","","","","10.1039/D4CC04934A","","x-ray","0.71073","MoKα","","0.0348","0.0271","","","0.0622","0.0653","","","","","","1.041","","","","has coordinates","295801","2024-11-06","22:53:44",""
"7133949","22.459","0.005","30.925","0.006","33.796","0.007","100.82","0.03","101.36","0.03","91.89","0.03","22544","9","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C115.5 H99.5 I4 N10 -","- C115.5 H99.5 I4 N10 -","- C924 H796 I32 N80 -","8","4","","Lee, Seungwon; Lee, Byeung Ju; Song, Geunmoo; Jeong, Kyu-Sung","Helical aromatic foldamers with tubular cavities capable of accommodating multiple halide ions.","Chemical communications (Cambridge, England)","2024","60","95","14081","14084","10.1039/d4cc05474a","","","0.8","synchrotron","","0.2965","0.0746","","","0.1324","0.1859","","","","","","0.69","","","","has coordinates","296325","2024-12-06","15:33:20",""
"7133950","25.2","0.005","25.207","0.005","29.256","0.006","104.05","0.03","103.3","0.03","116.8","0.03","14803","9","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C258 H123 I8 N22 O -","- C258 H123 I8 N22 O -","- C516 H246 I16 N44 O2 -","2","1","","Lee, Seungwon; Lee, Byeung Ju; Song, Geunmoo; Jeong, Kyu-Sung","Helical aromatic foldamers with tubular cavities capable of accommodating multiple halide ions.","Chemical communications (Cambridge, England)","2024","60","95","14081","14084","10.1039/d4cc05474a","","","0.8","synchrotron","","0.3728","0.1292","","","0.3323","0.4456","","","","","","0.694","","","","has coordinates,has disorder","296325","2024-12-06","15:33:24",""
"7133951","38.554","0.008","51.49","0.01","43.138","0.009","90","","93.47","0.03","90","","85478","3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C186 H111.75 I6 N16 O0.75 -","- C186 H111.75 I6 N16 O0.75 -","- C2976 H1788 I96 N256 O12 -","16","4","","Lee, Seungwon; Lee, Byeung Ju; Song, Geunmoo; Jeong, Kyu-Sung","Helical aromatic foldamers with tubular cavities capable of accommodating multiple halide ions.","Chemical communications (Cambridge, England)","2024","60","95","14081","14084","10.1039/d4cc05474a","","","0.8","synchrotron","","0.3423","0.099","","","0.2367","0.3213","","","","","","0.693","","","","has coordinates","296325","2024-12-06","15:33:24",""
"7133952","23.746","0.005","17.54","0.004","16.981","0.004","90","","90","","90","","7073","3","100.15","","100.15","","","","","","","","","7","P n a 21","P 2c -2n","33","[PPh4]2[Cr3(m3-O)(m-4-Cl-pz)6Cl3],","","","- C67 H54 Cl11 Cr3 N12 O P2 -","- C67 H54 Cl11 Cr3 N12 O P2 -","- C268 H216 Cl44 Cr12 N48 O4 P8 -","4","1","","López-Plá, Jessica M; Obies, Mohammed; Zahariou, Georgia; Pissas, Michael; Sanakis, Yiannis; McGrady, John E.; Raptis, Raphael G.","Pyrazolate-supported Cr<sub>3</sub>(μ<sub>3</sub>-O) cores; homovalent CrIII3 and mixed-valent CrIII2Cr<sup>IV</sup>.","Chemical communications (Cambridge, England)","2024","60","95","14117","14120","10.1039/d4cc05161k","","","0.71073","MoKα","","0.1208","0.0713","","","0.1476","0.1667","","","","","","1.06","","","","has coordinates","296326","2024-12-06","15:33:55",""
"7133953","24.0399","0.001","17.8794","0.0008","16.9017","0.0007","90","","90","","90","","7264.7","0.5","150","2","150.15","","","","","","","","","8","P n a 21","P 2c -2n","33","(PPh4)2[Cr3(m3-O)(m-4-Cl-pz)6Br3].CH2Cl2,","","","- C67 H54 Br3 Cl8 Cr3 N12 O P2 -","- C67 H54 Br3 Cl8 Cr3 N12 O P2 -","- C268 H216 Br12 Cl32 Cr12 N48 O4 P8 -","4","1","","López-Plá, Jessica M; Obies, Mohammed; Zahariou, Georgia; Pissas, Michael; Sanakis, Yiannis; McGrady, John E.; Raptis, Raphael G.","Pyrazolate-supported Cr<sub>3</sub>(μ<sub>3</sub>-O) cores; homovalent CrIII3 and mixed-valent CrIII2Cr<sup>IV</sup>.","Chemical communications (Cambridge, England)","2024","60","95","14117","14120","10.1039/d4cc05161k","","","0.71073","MoKα","","0.0706","0.0471","","","0.0892","0.0968","","","","","","1.081","","","","has coordinates","296326","2024-12-06","15:33:55",""
"7133954","10.0418","0.0004","14.1923","0.0004","10.918","0.0003","90","","106.166","0.003","90","","1494.47","0.09","93","2","93.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","opp-dioxadiaza[8]circulene","dioxadiaza[8]circulene","","- C24 H10 N2 O2 -","- C24 H10 N2 O2 -","- C96 H40 N8 O8 -","4","1","","Nakagawa, Aoi; Ota, Wataru; Ehara, Takumi; Matsuo, Yusuke; Miyata, Kiyoshi; Onda, Ken; Sato, Tohru; Seki, Shu; Tanaka, Takayuki","Synthesis of substituent-free dioxadiaza[8]circulene to investigate intermolecular interactions and photophysical properties","Chemical Communications","2024","","","","","10.1039/D4CC05539J","","","1.54184","CuKα","","0.0393","0.0342","","","0.0986","0.1011","","","","","","1.1139","","","","has coordinates","295821","2024-11-07","22:49:55",""
"7133955","11.8608","0.0001","13.4284","0.0001","27.874","0.0001","90","","90.771","0.001","90","","4439.13","0.05","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tetra-tert-butyl-N,N-diphenylethyl-opp-dioxadiaza[8]circulene","tetra-tert-butyl-N,N-diphenylethyldioxadiaza[8]circulene","","- C56 H58 N2 O2 -","- C56 H58 N2 O2 -","- C224 H232 N8 O8 -","4","1","","Nakagawa, Aoi; Ota, Wataru; Ehara, Takumi; Matsuo, Yusuke; Miyata, Kiyoshi; Onda, Ken; Sato, Tohru; Seki, Shu; Tanaka, Takayuki","Synthesis of substituent-free dioxadiaza[8]circulene to investigate intermolecular interactions and photophysical properties","Chemical Communications","2024","","","","","10.1039/D4CC05539J","","","1.54184","CuKα","","0.0453","0.0434","","","0.1348","0.1366","","","","","","1.067","","","","has coordinates","295821","2024-11-07","22:49:56",""
"7133956","10.2049","0.0001","16.5666","0.0003","17.5296","0.0002","109.901","0.002","90.1","0.001","106.501","0.002","2655.85","0.08","93","2","93.15","","","","","","","","","4","P -1","-P 1","2","tetra-tert-butyl-opp-dioxadiaza[8]circulene","tetra-tert-butyldioxadiaza[8]circulene","","- C62 H86 N2 O7.5 -","- C48 H58 N2 O4 -","- C96 H116 N4 O8 -","2","1","","Nakagawa, Aoi; Ota, Wataru; Ehara, Takumi; Matsuo, Yusuke; Miyata, Kiyoshi; Onda, Ken; Sato, Tohru; Seki, Shu; Tanaka, Takayuki","Synthesis of substituent-free dioxadiaza[8]circulene to investigate intermolecular interactions and photophysical properties","Chemical Communications","2024","","","","","10.1039/D4CC05539J","","","1.54184","CuKα","","0.0633","0.0575","","","0.1682","0.1724","","","","","","1.0369","","","","has coordinates","295951","2024-11-15","23:13:16",""
"7133957","9.0126","0.0001","14.3811","0.0002","22.2186","0.0002","90","","98.161","0.001","90","","2850.61","0.06","80","","80","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H48 Fe N6 P2 -","- C25 H48 Fe N6 P2 -","- C100 H192 Fe4 N24 P8 -","4","1","","Andre, Christian M.; Szymczak, Nathaniel K.","Synthesis of heteroleptic bis-phosphine bis-NHC iron (0) complexes: a strategy to enhance small molecule activation.","Chemical communications (Cambridge, England)","2024","60","95","14037","14040","10.1039/d4cc05463f","","x-ray","1.54184","CuKα","","0.0293","0.0277","","","0.0711","0.0749","","","","","","1.0479","","","","has coordinates","296324","2024-12-06","15:31:47",""
"7133958","8.7819","0.0003","18.2197","0.0004","19.7713","0.0004","67.588","0.002","86.73","0.002","87.945","0.002","2919.43","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H48 Fe N4 O P2 -","- C26 H48 Fe N4 O P2 -","- C104 H192 Fe4 N16 O4 P8 -","4","2","","Andre, Christian M.; Szymczak, Nathaniel K.","Synthesis of heteroleptic bis-phosphine bis-NHC iron (0) complexes: a strategy to enhance small molecule activation.","Chemical communications (Cambridge, England)","2024","60","95","14037","14040","10.1039/d4cc05463f","","x-ray","1.54184","CuKα","","0.0645","0.0536","","","0.151","0.1599","","","","","","1.002","","","","has coordinates","296324","2024-12-06","15:31:48",""
"7133959","12.7534","0.0004","13.1143","0.0005","20.0807","0.0006","76.017","0.003","74.96","0.003","70.874","0.003","3018.97","0.19","293","","293","","","","","","","","","8","P -1","-P 1","2","","","","- C55 H78 B Cl4 F6 Fe N6 P3 -","- C55 H78 B Cl4 F6 Fe N6 P3 -","- C110 H156 B2 Cl8 F12 Fe2 N12 P6 -","2","1","","Andre, Christian M.; Szymczak, Nathaniel K.","Synthesis of heteroleptic bis-phosphine bis-NHC iron (0) complexes: a strategy to enhance small molecule activation.","Chemical communications (Cambridge, England)","2024","60","95","14037","14040","10.1039/d4cc05463f","","x-ray","1.54184","CuKα","","0.0422","0.0411","","","0.1145","0.1172","","","","","","1.028","","","","has coordinates","296324","2024-12-06","15:31:48",""
"7133960","8.0364","0.0002","14.9846","0.0004","8.9999","0.0003","90","","113.047","0.003","90","","997.28","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H31 N S2 -","- C21 H31 N S2 -","- C42 H62 N2 S4 -","2","1","","Luff, M. S.; Oppel, K.; Krummenacher, I.; Braunschweig, H.; Radius, U.","Radical anions of 1,1-azoliumdithiocarboxylates.","Chemical communications (Cambridge, England)","2024","60","97","14447","14450","10.1039/d4cc05486e","","","1.54184","CuKα","","0.0337","0.0334","","","0.0881","0.0884","","","","","","1.041","","","","has coordinates","296264","2024-12-06","14:59:01",""
"7133961","8.9541","0.0001","15.7437","0.0003","28.9534","0.0005","90","","96.571","0.002","90","","4054.77","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H54 K N4 O6 S2 -","- C38 H54 K N4 O6 S2 -","- C152 H216 K4 N16 O24 S8 -","4","1","","Luff, M. S.; Oppel, K.; Krummenacher, I.; Braunschweig, H.; Radius, U.","Radical anions of 1,1-azoliumdithiocarboxylates.","Chemical communications (Cambridge, England)","2024","60","97","14447","14450","10.1039/d4cc05486e","","","1.54184","CuKα","","0.0843","0.0734","","","0.1994","0.2076","","","","","","1.093","","","","has coordinates","296264","2024-12-06","14:59:01",""
"7133962","10.6763","0.0002","19.9981","0.0003","11.7538","0.0002","90","","109.747","0.002","90","","2361.93","0.08","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C50 H72 Mg N3 S2 -","- C50 H72 Mg N3 S2 -","- C100 H144 Mg2 N6 S4 -","2","0.5","","Luff, M. S.; Oppel, K.; Krummenacher, I.; Braunschweig, H.; Radius, U.","Radical anions of 1,1-azoliumdithiocarboxylates.","Chemical communications (Cambridge, England)","2024","60","97","14447","14450","10.1039/d4cc05486e","","","0.71073","MoKα","","0.0434","0.0388","","","0.102","0.105","","","","","","1.041","","","","has coordinates","296264","2024-12-06","14:59:01",""
"7133963","17.1497","0.0002","10.4456","0.0001","23.076","0.0002","90","","100.778","0.001","90","","4060.89","0.07","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H63 K N O7 S2 -","- C37 H63 K N O7 S2 -","- C148 H252 K4 N4 O28 S8 -","4","1","","Luff, M. S.; Oppel, K.; Krummenacher, I.; Braunschweig, H.; Radius, U.","Radical anions of 1,1-azoliumdithiocarboxylates.","Chemical communications (Cambridge, England)","2024","60","97","14447","14450","10.1039/d4cc05486e","","","1.54184","CuKα","","0.0661","0.0594","","","0.1609","0.1659","","","","","","1.039","","","","has coordinates,has disorder","296264","2024-12-06","14:59:01",""
"7133964","12.4442","0.0003","12.7336","0.0004","18.2742","0.0006","89.06","0.002","78.915","0.002","80.742","0.002","2804.36","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H84 K N2 O12 S2 -","- C52 H84 K N2 O12 S2 -","- C104 H168 K2 N4 O24 S4 -","2","1","","Luff, M. S.; Oppel, K.; Krummenacher, I.; Braunschweig, H.; Radius, U.","Radical anions of 1,1-azoliumdithiocarboxylates.","Chemical communications (Cambridge, England)","2024","60","97","14447","14450","10.1039/d4cc05486e","","","1.54184","CuKα","","0.0907","0.0759","","","0.1881","0.1969","","","","","","1.084","","","","has coordinates,has disorder","296264","2024-12-06","14:59:01",""
"7133965","33.4177","0.0005","14.6058","0.0003","43.1667","0.0006","90","","91.363","0.001","90","","21063.4","0.6","190","","190","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","cluster-1","","- C114 H154 N4 O86 Tb14 -","- C114 H154 N4 O86 Tb14 -","- C456 H616 N16 O344 Tb56 -","4","0.5","","Meng, Yanheng; Wang, Shiqing; Lv, Xiaoli; Huang, Xianfeng; Zhang, Weibin; Wu, Xiaojun; Schipper, Desmond; Yang, Xiaoping","Rapid and sensitive detection of vanillylmandelic acid based on a luminescent fourteen-metal Tb(III) planar nanocluster.","Chemical communications (Cambridge, England)","2024","60","96","14240","14243","10.1039/d4cc03667k","","","0.71073","MoKα","","0.0582","0.0422","","","0.1084","0.1149","","","","","","1.037","","","","has coordinates","296329","2024-12-06","15:35:39",""
"7133966","9.7614","0.0011","25.463","0.003","7.4877","0.0009","90","","105.531","0.004","90","","1793.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Br N2 O2 S -","- C19 H19 Br N2 O2 S -","- C76 H76 Br4 N8 O8 S4 -","4","1","","Sahoo, Anita; Paul, Tripti; Basak, Shubhajit; Punniyamurthy, Tharmalingam","Palladium catalyzed C(sp3)-H alkylation of 8-methylquinolines with aziridines: access to functionalized γ-quinolinylpropylamines","Chemical Communications","2024","","","","","10.1039/D4CC05275G","","","0.71073","MoKα","","0.0471","0.04","","","0.0934","0.0964","","","","","","1.094","","","","has coordinates","295885","2024-11-12","22:53:52",""
"7133967","8.831","0.006","9.067","0.006","13.811","0.009","73.42","0.02","81.83","0.02","86.68","0.02","1048.9","1.2","253","2","253","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C40 H44 N4 O16 -","4","2","","Kim, Dopil; Kim, Jun Yeong; Kim, Haein; Jeong, Eunjin; Lee, Minhyuk; Kim, Dongwook; Kim, JunWoo; Park, Myung Hwan; Kim, Min","Positional effects of electron-donating and withdrawing groups on the photophysical properties of single benzene fluorophores","Chemical Communications","2024","","","","","10.1039/D4CC04451G","","","0.71073","MoKα","","0.0828","0.0491","","","0.1293","0.153","","","","","","1.039","","","","has coordinates","295886","2024-11-12","22:54:26",""
"7133968","9.907","0.004","10.099","0.004","17.406","0.007","90","","104.78","0.03","90","","1683.9","1.2","128","","128","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O4 S -","- C18 H17 N O4 S -","- C72 H68 N4 O16 S4 -","4","1","","Yao, Yang; Bai, Junxue; Cheng, Peidong; Yang, Han; Sun, Jianwei; Sun, Song","Base-Promoted Cascade 5-exo-dig Annulation/Carboxylation of o-(1-Alkynyl)benzenesulfonamides with CO2: Divergent Synthesis of Mono- or Gem-dicarboxylic Esters","Chemical Communications","2024","","","","","10.1039/D4CC05239K","","","1.34138","GaKα","","0.1198","0.0818","","","0.2078","0.2496","","","","","","0.998","","","","has coordinates","295887","2024-11-12","22:55:02",""
"7133969","7.9471","0.0006","7.9767","0.0006","12.2761","0.001","74.518","0.002","88.476","0.003","84.62","0.002","746.66","0.1","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 N O6 S -","- C14 H15 N O6 S -","- C28 H30 N2 O12 S2 -","2","1","","Yao, Yang; Bai, Junxue; Cheng, Peidong; Yang, Han; Sun, Jianwei; Sun, Song","Base-Promoted Cascade 5-exo-dig Annulation/Carboxylation of o-(1-Alkynyl)benzenesulfonamides with CO2: Divergent Synthesis of Mono- or Gem-dicarboxylic Esters","Chemical Communications","2024","","","","","10.1039/D4CC05239K","","","0.71073","MoKα","","0.0733","0.0539","","","0.1171","0.1375","","","","","","1.079","","","","has coordinates","295887","2024-11-12","22:55:03",""
"7133970","14.5996","0.0002","9.4264","0.0001","18.8989","0.0002","90","","94.442","0.001","90","","2593.09","0.05","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H26 Si -","- C17 H13 Si0.5 -","- C68 H52 Si2 -","4","2","","Yin, Tiantian; Sui, Shiyuan; Li, Shuqi; Chang, Junbiao; Bai, Dachang","Nickel-catalyzed stereospecific reductive cross-coupling of vinyl chlorosilanes with axially chiral biaryl electrophiles.","Chemical communications (Cambridge, England)","2024","60","96","14204","14207","10.1039/d4cc04293j","","","1.54178","CuKα","","0.0631","0.0583","","","0.1551","0.1596","","","","","","1.054","","","","has coordinates","296330","2024-12-06","15:35:53",""
"7133971","15.1263","0.0002","8.8273","0.0002","26.4394","0.0004","90","","90","","90","","3530.3","0.11","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3Bz-Et","","- C18 H24 B2 Cl2 -","- C18 H24 B2 Cl2 -","- C144 H192 B16 Cl16 -","8","2","","Bohlen, Josina L.; Wieprecht, Nele; Arrowsmith, Merle; Häfner, Alena; Neder, Marco; Braunschweig, Holger","One-step selective synthesis of doubly and triply fused chiral boroloborole derivatives","Chemical Communications","2024","","","","","10.1039/D4CC04433A","","x-ray","1.54184","CuKα","K-L~2,3~","0.0362","0.0346","","","0.098","0.0992","","","","","","1.092","","","","has coordinates","295903","2024-11-13","22:50:15",""
"7133972","13.0142","0.0003","12.5146","0.0004","19.1376","0.0007","90","","90","","90","","3116.89","0.17","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3Bz-Ph","","- C40 H30 B2 Cl2 -","- C40 H30 B2 Cl2 -","- C160 H120 B8 Cl8 -","4","1","","Bohlen, Josina L.; Wieprecht, Nele; Arrowsmith, Merle; Häfner, Alena; Neder, Marco; Braunschweig, Holger","One-step selective synthesis of doubly and triply fused chiral boroloborole derivatives","Chemical Communications","2024","","","","","10.1039/D4CC04433A","","x-ray","1.54184","CuKα","K-L~2,3~","0.0714","0.0579","","","0.1278","0.1334","","","","","","1.027","","","","has coordinates","295903","2024-11-13","22:50:22",""
"7133973","9.8022","0.0001","8.8","0.0001","33.2868","0.0004","90","","90.31","0.001","90","","2871.26","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3Naph-Ph","","- C38 H26 B2 Br2 -","- C38 H26 B2 Br2 -","- C152 H104 B8 Br8 -","4","1","","Bohlen, Josina L.; Wieprecht, Nele; Arrowsmith, Merle; Häfner, Alena; Neder, Marco; Braunschweig, Holger","One-step selective synthesis of doubly and triply fused chiral boroloborole derivatives","Chemical Communications","2024","","","","","10.1039/D4CC04433A","","x-ray","1.54184","CuKα","K-L~2,3~","0.0475","0.0425","","","0.1224","0.1277","","","","","","1.041","","","","has coordinates","295903","2024-11-13","22:50:23",""
"7133974","8.5722","0.0003","12.2762","0.0004","21.3971","0.0005","95.172","0.002","93.665","0.002","109.945","0.003","2097.22","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3Bz-Ph","","- C26 H18 B2 Cl2 -","- C26 H18 B2 Cl2 -","- C104 H72 B8 Cl8 -","4","2","","Bohlen, Josina L.; Wieprecht, Nele; Arrowsmith, Merle; Häfner, Alena; Neder, Marco; Braunschweig, Holger","One-step selective synthesis of doubly and triply fused chiral boroloborole derivatives","Chemical Communications","2024","","","","","10.1039/D4CC04433A","","x-ray","1.54184","CuKα","K-L~2,3~","0.0809","0.0598","","","0.1768","0.2151","","","","","","1.131","","","","has coordinates","295903","2024-11-13","22:50:23",""
"7133975","12.6381","0.0003","12.7947","0.0003","15.916","0.0002","98.836","0.001","91.476","0.001","98.891","0.002","2509.3","0.09","100","2","100","2","","","","","","","","13","P -1","-P 1","2","","6Bz-Ph","","- C53.5 H59 B2 Cl5 N4 ed en ez lv so sq t ue -","- C53 H58 B2 Cl4 N4 -","- C106 H116 B4 Cl8 N8 -","2","1","","Bohlen, Josina L.; Wieprecht, Nele; Arrowsmith, Merle; Häfner, Alena; Neder, Marco; Braunschweig, Holger","One-step selective synthesis of doubly and triply fused chiral boroloborole derivatives","Chemical Communications","2024","","","","","10.1039/D4CC04433A","","x-ray","1.54184","CuKα","K-L~2,3~","0.0578","0.0458","","","0.1212","0.1277","","","","","","1.074","","","","has coordinates","295903","2024-11-13","22:50:23",""
"7133976","20.9513","0.0001","15.1698","0.0001","23.2582","0.0001","90","","90","","90","","7392.08","0.07","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4Bz-BzPh","","- C52 H38 B2 -","- C52 H38 B2 -","- C416 H304 B16 -","8","1","","Bohlen, Josina L.; Wieprecht, Nele; Arrowsmith, Merle; Häfner, Alena; Neder, Marco; Braunschweig, Holger","One-step selective synthesis of doubly and triply fused chiral boroloborole derivatives","Chemical Communications","2024","","","","","10.1039/D4CC04433A","","x-ray","1.54184","CuKα","K-L~2,3~","0.0408","0.0357","","","0.0876","0.0905","","","","","","1.042","","","","has coordinates,has disorder","295903","2024-11-13","22:50:24",""
"7133977","5.3067","0.0004","9.1631","0.0007","12.2106","0.0009","90","","99.671","0.007","90","","585.31","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","chlorobartaphilone A","'(R)-9-chloro-3,6a-dimethyl-6H-furo[2,3-h]isochromene-6,8(6aH)-dione'","","- C13 H9 Cl O4 -","- C13 H9 Cl O4 -","- C26 H18 Cl2 O8 -","2","1","","Flon, Victor; Pavesi, Coralie; Oger, Samuel; Leleu, Stéphane; Retailleau, Pascal; Jennings, Laurence K.; Prado, Soizic; Franck, Xavier","Mass-tagged aminated probes for rapid discovery of azaphilic natural products in fungal crude extracts","Chemical Communications","2024","","","","","10.1039/D4CC05122J","","","1.54187","CuKα","","0.0759","0.037","","","0.0709","0.1016","","","","","","1.0521","","","","has coordinates","295915","2024-11-14","22:49:58",""
"7133978","13.5359","0.0011","14.6708","0.0011","16.4233","0.0013","102.627","0.003","100.704","0.003","114.701","0.003","2746.5","0.4","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H36 Cl2 N10 -","- C56 H36 Cl2 N10 -","- C112 H72 Cl4 N20 -","2","1","","Gu, ZiTing; Chen, Hao-Chin; Yang, Jin-Peng; Hsu, Hsiu-Fu; Kuo, Ting-Shen; Lai, Long-Li","Efficient synthesis of porous triazine-based macrocycles with 22-carbon and 6-nitrogen ring atoms and their adsorption/desorption of non-volatile organic compounds","Chemical Communications","2024","","","","","10.1039/D4CC04983G","","","0.71073","MoKα","","0.0563","0.0423","","","0.106","0.1157","","","","","","1.02","","","","has coordinates","295949","2024-11-15","22:50:11",""
"7133979","13.132","0.003","13.23","0.004","14.822","0.004","90","","112.472","0.007","90","","2379.6","1.1","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 N5 O2 S -","- C26 H25 N5 O2 S -","- C104 H100 N20 O8 S4 -","4","1","","Ge, Shen; Zhu, Yi-Ming; Xu, Xiao-Ping; Zi, You; Ji, Shun-Jun","Palladium-catalyzed Cascade Cyclization of Isocyanides with Di-(o-iodophenyl)sulfonylguanidines: Access to Heterocyclic Fused Quinazolines","Chemical Communications","2024","","","","","10.1039/D4CC04084H","","","0.71073","MoKα","","0.1331","0.0711","","","0.1653","0.1921","","","","","","1.032","","","","has coordinates","295983","2024-11-18","22:52:44",""
"7133980","10.8435","0.0007","12.5404","0.0008","18.9","0.0013","97.667","0.002","98.389","0.002","98.438","0.002","2483.4","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 F2 N4 O3 S -","- C28 H20 F2 N4 O3 S -","- C112 H80 F8 N16 O12 S4 -","4","2","","Ge, Shen; Zhu, Yi-Ming; Xu, Xiao-Ping; Zi, You; Ji, Shun-Jun","Palladium-catalyzed Cascade Cyclization of Isocyanides with Di-(o-iodophenyl)sulfonylguanidines: Access to Heterocyclic Fused Quinazolines","Chemical Communications","2024","","","","","10.1039/D4CC04084H","","","0.71073","MoKα","","0.1109","0.0503","","","0.1016","0.1207","","","","","","1.013","","","","has coordinates","295983","2024-11-18","22:52:48",""
"7133981","28.42","0.08","13.14","0.04","16.94","0.04","90","","101.25","0.05","90","","6204","3","293","2","293.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H49 B3 Br2 F6 N6 O2 -","- C56 H49 B3 Br2 F6 N6 O2 -","- C224 H196 B12 Br8 F24 N24 O8 -","4","0.5","","Zuo, Huiquan; Guo, Xing; Guo, Luying; Wu, Qinghua; Wang, Long; Kang, Zhengxin; Wang, Shaozhen; Jiao, Lijuan; Hao, Erhong","A Benzofuran-[b]-Fused BODIPY Trimer Enabled by dual TBET and PET Mechanisms for High-Performance Two-Photon Fluorescence Imaging","Chemical Communications","2024","","","","","10.1039/D4CC05446F","","","0.71073","MoKα","","0.1322","0.0607","","","0.1794","0.2102","","","","","","0.97","","","","has coordinates,has disorder","296011","2024-11-20","22:49:17",""
"7133982","11.5461","0.0006","17.939","0.0009","26.5942","0.0013","79.276","0.003","85.459","0.003","89.219","0.003","5395.1","0.5","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H47 B3 F6 N6 O2 -","- C56 H47 B3 F6 N6 O2 -","- C224 H188 B12 F24 N24 O8 -","4","2","","Zuo, Huiquan; Guo, Xing; Guo, Luying; Wu, Qinghua; Wang, Long; Kang, Zhengxin; Wang, Shaozhen; Jiao, Lijuan; Hao, Erhong","A Benzofuran-[b]-Fused BODIPY Trimer Enabled by dual TBET and PET Mechanisms for High-Performance Two-Photon Fluorescence Imaging","Chemical Communications","2024","","","","","10.1039/D4CC05446F","","","1.54178","CuKα","","0.135","0.1142","","","0.282","0.3104","","","","","","1.088","","","","has coordinates","296011","2024-11-20","22:49:21",""
"7133983","4.6371","0.001","33.771","0.007","5.6015","0.0012","90","","96.286","0.006","90","","871.9","0.3","180","","180","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","bis(4-(4-bromophenyl)-1H-1,2,3-triazol-1-yl)difluoromethane","","- C17 H10 Br2 F2 N6 -","- C17 H10 Br2 F2 N6 -","- C34 H20 Br4 F4 N12 -","2","0.5","","Ziabko, Mykyta; Suikov, Sergeii; Filgas, Josef; Slavicek, Petr; Gazdurová, Michaela; Bednárová, Lucie; Matyáš, Robert; Klepetářová, Blanka; David, Tomáš; Beier, Petr","From Boom to Bloom: Synthesis of Diazidodifluoromethane, its Stability and Applicability in the ‘Click’ Reaction","Chemical Communications","2024","","","","","10.1039/D4CC05128A","","x-ray","1.54178","CuKα","","0.0656","0.061","","0.16","0.1571","0.16","","","","","","1.0839","","","","has coordinates","296012","2024-11-20","22:49:54",""
"7133984","13.756","0.0003","6.4533","0.0002","16.5581","0.0004","90","","113.581","0.0007","90","","1347.15","0.06","180","","180","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-fluoro-3-(4-phenyl-2H-1,2,3-triazol-2-yl)isoquinoline","","- C17 H11 F N4 -","- C17 H11 F N4 -","- C68 H44 F4 N16 -","4","1","","Ziabko, Mykyta; Suikov, Sergeii; Filgas, Josef; Slavicek, Petr; Gazdurová, Michaela; Bednárová, Lucie; Matyáš, Robert; Klepetářová, Blanka; David, Tomáš; Beier, Petr","From Boom to Bloom: Synthesis of Diazidodifluoromethane, its Stability and Applicability in the ‘Click’ Reaction","Chemical Communications","2024","","","","","10.1039/D4CC05128A","","x-ray","0.71073","MoKα","","0.0702","0.0457","","0.1439","0.1123","0.1429","","","","","","1.0381","","","","has coordinates","296012","2024-11-20","22:49:56",""
"7133985","15.9896","0.0006","22.9608","0.0008","17.9997","0.0007","90","","98.952","0.001","90","","6527.8","0.4","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H82.2 Cl3 Co2 N8 O25.58 -","- C54 H73 Cl3 Co2 N8 O20.98 -","- C216 H292 Cl12 Co8 N32 O83.92 -","4","1","","Sharma, Parkhi; Gupta, Sikha; Kumar, Rakesh; Charisiadis, Asterios; Sauvan, Maxime; Velasco, Lucia; Saini, Abhishek; Moonshiram, Dooshaye; Draksharapu, Apparao","Structural and Reactivity Insights into High-Valent Co(III)-(μ-peroxo)-Co(IV) and Its Electromer Co(III)-(μ-superoxo)-Co(III)","Chemical Communications","2024","","","","","10.1039/D4CC04658G","","x-ray","0.71073","MoKα","","0.0974","0.0776","","","0.1651","0.1741","","","","","","1.11","","","","has coordinates,has disorder","296013","2024-11-20","22:50:24",""
"7133986","9.9201","0.0004","12.9585","0.0005","20.1488","0.0007","90","","90","","90","","2590.12","0.17","296.15","0.1","296.15","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Br2 Cl N3 O2 -","- C26 H22 Br2 Cl N3 O2 -","- C104 H88 Br8 Cl4 N12 O8 -","4","1","","Zhan, Wenyan; Hu, Jiameng; Chen, Xiaoyun; Luo, Gen; Song, Xiaoxiao","Atroposelective Synthesis of Axially Chiral Indolizinylpyrroles by Catalytic Asymmetric Paal-Knorr Reaction","Chemical Communications","2024","","","","","10.1039/D4CC04678A","","x-ray","1.54178","CuKα","","0.049","0.0473","","","0.1267","0.1287","","","","","","1.051","","","","has coordinates,has disorder","296014","2024-11-20","22:50:47",""
"7133987","8.2611","0.0009","8.1366","0.0009","27.461","0.003","90","","90","","90","","1845.9","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H11 Br Mn0.8 N Pb0.7 -","- C4 H11 Br Mn0.8 N Pb0.7 -","- C32 H88 Br8 Mn6.4 N8 Pb5.6 -","8","1","","Kuruppu, Udara M.; Magdaleno, Alvaro J.; Kshirsagar, Anuraj S.; Donnadieu, Bruno; Prins, Ferry; Gangishetty, Mahesh K.","Interstitial and substitutional doping of Mn<sup>2+</sup> in 2D PEA<sub>2</sub>PbBr<sub>4</sub> and BA<sub>2</sub>PbBr<sub>4</sub> perovskites.","Chemical communications (Cambridge, England)","2024","","","","","10.1039/d4cc04074k","","","0.71073","MoKα","","0.0919","0.0876","","","0.2705","0.2757","","","","","","1.306","","","","has coordinates,has disorder","296061","2024-11-22","22:50:51",""
"7133988","8.249","0.0008","8.1326","0.0008","27.428","0.003","90","","90","","90","","1840","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H12 Br2 N Pb0.5 -","- C4 H12 Br2 N Pb0.5 -","- C32 H96 Br16 N8 Pb4 -","8","1","","Kuruppu, Udara M.; Magdaleno, Alvaro J.; Kshirsagar, Anuraj S.; Donnadieu, Bruno; Prins, Ferry; Gangishetty, Mahesh K.","Interstitial and substitutional doping of Mn<sup>2+</sup> in 2D PEA<sub>2</sub>PbBr<sub>4</sub> and BA<sub>2</sub>PbBr<sub>4</sub> perovskites.","Chemical communications (Cambridge, England)","2024","","","","","10.1039/d4cc04074k","","","0.71073","MoKα","","0.0877","0.0758","","","0.2315","0.2503","","","","","","1.201","","","","has coordinates","296062","2024-11-22","22:51:11",""
"7133989","21.5322","0.0009","9.414","0.0003","7.3067","0.0003","90","","90.868","0.003","90","","1480.93","0.1","180","","180","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H4 Cd N2 O6 -","- C14 H4 Cd N2 O6 -","- C56 H16 Cd4 N8 O24 -","4","0.5","","Yan, Yong; Li, Zhen-Yu; Krautscheid, Harald; Zhang, Ning-Ning","Efficient charge transport via limited π−π interactions between naphthyl carbon atoms in a metal-organic framework","Chemical Communications","2024","","","","","10.1039/D4CC04738A","","x-ray","1.54186","CuKα","","0.0293","0.0268","","","0.0669","0.0678","","","","","","1.031","","","","has coordinates","296063","2024-11-22","22:51:33",""
"7133990","6.8635","0.0003","22.7679","0.0009","8.8158","0.0003","90","","94.763","0.002","90","","1372.87","0.09","85","2","85","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 N2 Ni O -","- C17 H14 N2 Ni O -","- C68 H56 N8 Ni4 O4 -","4","1","","Durin, Gabriel; Lee, Mijung; Pogany, Martina Aliz; Kahl, Christian; Weyhermueller, Thomas; Leitner, Walter; Kaeffer, Nicolas","Electrochemical Aldehydes Hydrogenation: Probing the Inner-Sphere Strategy with Nickel-Bipyridine Complexes","Chemical Communications","2024","","","","","10.1039/D4CC04050C","","","0.71073","MoKα","","0.0352","0.0293","","","0.0717","0.0743","","","","","","1.066","","","","has coordinates","296064","2024-11-22","22:51:52",""
"7133991","10.2274","0.0004","13.523","0.0005","14.2522","0.0007","90","","90.829","0.002","90","","1970.95","0.14","300","","300","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 O3 -","- C25 H20 O3 -","- C100 H80 O12 -","4","1","","Zhang, Zhilai; Xu, Yu; Peng, Menglin; Song, Siyu; Wei, Yuanzheng; Hu, Huimin; Wang, Xiuju; Yu, Fuchao","Pd(II)-Catalyzed Regioselective Ring Opening/[3+2] Annulation Reaction of Enaminones with Cyclopropenones: Divergent Synthesis of γ-Butenolides and γ-Lactams","Chemical Communications","2024","","","","","10.1039/D4CC05895J","","","0.71073","MoKα","","0.0612","0.0438","","","0.1161","0.1303","","","","","","1.056","","","","has coordinates","296065","2024-11-22","22:52:26",""
"7133992","38.98","0.003","5.8496","0.0005","25.6","0.003","90","","118.94","0.003","90","","5108.3","0.9","296.15","","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H25 N O2 -","- C31 H25 N O2 -","- C248 H200 N8 O16 -","8","1","","Zhang, Zhilai; Xu, Yu; Peng, Menglin; Song, Siyu; Wei, Yuanzheng; Hu, Huimin; Wang, Xiuju; Yu, Fuchao","Pd(II)-Catalyzed Regioselective Ring Opening/[3+2] Annulation Reaction of Enaminones with Cyclopropenones: Divergent Synthesis of γ-Butenolides and γ-Lactams","Chemical Communications","2024","","","","","10.1039/D4CC05895J","","","0.71073","MoKα","","0.0827","0.0488","","","0.1145","0.1328","","","","","","0.963","","","","has coordinates","296065","2024-11-22","22:52:28",""
"7133993","26.0297","0.0016","5.9625","0.0003","15.3428","0.0009","90","","90","","90","","2381.2","0.2","303","","303","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C31 H23 N O2 -","- C31 H23 N O2 -","- C124 H92 N4 O8 -","4","1","","Zhang, Zhilai; Xu, Yu; Peng, Menglin; Song, Siyu; Wei, Yuanzheng; Hu, Huimin; Wang, Xiuju; Yu, Fuchao","Pd(II)-Catalyzed Regioselective Ring Opening/[3+2] Annulation Reaction of Enaminones with Cyclopropenones: Divergent Synthesis of γ-Butenolides and γ-Lactams","Chemical Communications","2024","","","","","10.1039/D4CC05895J","","","0.71073","MoKα","","0.0656","0.0451","","","0.0929","0.1099","","","","","","1.093","","","","has coordinates","296065","2024-11-22","22:52:29",""
"7133994","9.146","0.003","8.067","0.002","18.527","0.005","90","","90.903","0.01","90","","1366.8","0.7","297","","297","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Al2 B8 Ca3 O18 -","- Al2 B8 Ca3 O18 -","- Al8 B32 Ca12 O72 -","4","1","","Yan, Ziting; Chu, Dongdong; Yang, Zhihua; Pan, Shilie; Zhang, Min","Ca3Al2B8O18: Borate with Graphene-like Layer Featuring Two Types of Topological Six-Membered Rings Induced by [AlO4] Unit","Chemical Communications","2024","","","","","10.1039/D4CC05571C","","","0.71073","MoKα","","0.0925","0.0647","","","0.1487","0.1707","","","","","","1.069","","","","has coordinates","296066","2024-11-22","22:52:53",""
"7133995","13.0287","0.0001","20.8713","0.0002","8.8138","0.0001","90","","102.243","0.001","90","","2342.19","0.04","220","0.1","220","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Br2 N2 O4 -","- C24 H16 Br2 N2 O4 -","- C96 H64 Br8 N8 O16 -","4","1","","Song, Jia-Lin; Yang, Zi-Feng; Fang, Sheng; Chen, Liang Wang; Ye, Lianbao; Liu, Xiang; Shu, Bing","Rhodium-Catalyzed C–H α-Fluoroalkenylation/Annulation of β-Ketosulfoxonium Ylides with 2,2-Difluorovinyl Tosylate/Oxadiazolones","Chemical Communications","2024","","","","","10.1039/D4CC05621C","","x-ray","1.54184","CuKα","","0.0368","0.0348","","","0.097","0.0987","","","","","","1.021","","","","has coordinates","296067","2024-11-22","22:53:10",""
"7133996","10.1045","0.0006","10.3479","0.0006","15.5279","0.0009","78.701","0.003","73.361","0.003","79.766","0.003","1512.65","0.16","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 Al F24 Li O6 -","- C16 H14 Al F24 Li O6 -","- C32 H28 Al2 F48 Li2 O12 -","2","1","","Ould, Darren; Penrod, Megan; McConnell, Jessica B.; Zabara, Mohammed A.; Berge, Astrid H.; O'Keefe, Christopher A; Bond, Andrew David; Menkin, Svetlana; Grey, Clare P.; Wright, Dominic S.","Borates vs. Aluminates: Comparing the Anion for Lithium-Ion Batteries","Chemical Communications","2024","","","","","10.1039/D4CC04812A","","","1.54178","CuKα","","0.1003","0.0819","","","0.2282","0.2494","","","","","","1.079","","","","has coordinates","296068","2024-11-22","22:53:37",""
"7133997","10.3513","0.0004","10.4771","0.0004","13.3717","0.0005","79.86","0.002","78.622","0.002","76.509","0.002","1369.53","0.09","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 B F24 Li O6 -","- C16 H14 B F24 Li O6 -","- C32 H28 B2 F48 Li2 O12 -","2","1","","Ould, Darren; Penrod, Megan; McConnell, Jessica B.; Zabara, Mohammed A.; Berge, Astrid H.; O'Keefe, Christopher A; Bond, Andrew David; Menkin, Svetlana; Grey, Clare P.; Wright, Dominic S.","Borates vs. Aluminates: Comparing the Anion for Lithium-Ion Batteries","Chemical Communications","2024","","","","","10.1039/D4CC04812A","","","1.54178","CuKα","","0.0471","0.0385","","","0.0893","0.0951","","","","","","1.025","","","","has coordinates","296068","2024-11-22","22:53:38",""
"7133998","10.1467","0.0003","10.5435","0.0003","11.69","0.0003","76.185","0.002","80.386","0.002","65.157","0.002","1098.9","0.06","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H8 Al2 F48 Li2 O8 -","- C24 H8 Al2 F48 Li2 O8 -","- C24 H8 Al2 F48 Li2 O8 -","1","0.5","","Ould, Darren; Penrod, Megan; McConnell, Jessica B.; Zabara, Mohammed A.; Berge, Astrid H.; O'Keefe, Christopher A; Bond, Andrew David; Menkin, Svetlana; Grey, Clare P.; Wright, Dominic S.","Borates vs. Aluminates: Comparing the Anion for Lithium-Ion Batteries","Chemical Communications","2024","","","","","10.1039/D4CC04812A","","","1.54178","CuKα","","0.0604","0.0486","","","0.1143","0.1224","","","","","","1.043","","","","has coordinates","296068","2024-11-22","22:53:38",""
"7133999","25.784","0.002","6.9333","0.0006","16.7815","0.0018","90","","90","","90","","3000","0.5","150","","150","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C36 H28 F6 N2 O2 -","- C36 H28 F6 N2 O2 -","- C144 H112 F24 N8 O8 -","4","0.5","","Huang, Zhi-Cong; Ruan, Zhi-Ling; Dai, Hui-Xiong; Xu, Hui","Ring Expansion of 3-Hydroxyoxindoles to 4-Quinolones via Palladium-Catalyzed C–C(acyl) Bond Cleavage and Subsequent Camps Cyclization","Chemical Communications","2024","","","","","10.1039/D4CC05369A","","","0.71073","MoKα","","0.1363","0.0628","","","0.1427","0.1911","","","","","","1.017","","","","has coordinates,has disorder","296069","2024-11-22","22:54:03",""
"7134000","13.2395","0.0003","6.47823","0.00015","15.3111","0.0003","90","","96.118","0.002","90","","1305.73","0.05","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O -","- C18 H16 O -","- C72 H64 O4 -","4","1","","Li, Wenguang; Cheng, Xinfeng; Cao, Man; Sheng, Heyun; Gao, Wenchao; Chen, Ming; Zhang, Xu; Li, Wentao; Yu, Yongqi; Li, Ting","Palladium-catalyzed annulation and intermolecular hydroamination involving norbornene derivatives: synthesis of indanones and N-alkylamines","Chemical Communications","2024","","","","","10.1039/D4CC06072E","","x-ray","1.54184","CuKα","","0.0571","0.0445","","","0.1191","0.1313","","","","","","1.068","","","","has coordinates","296071","2024-11-22","22:54:20",""
"7134001","10.1914","0.0019","31.77","0.006","32.931","0.006","90","","90","","90","","10662","3","100","2","100","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C148 H172 F12 N16 O34 S4 Y4 -","- C148 H144 F12 N16 O34 S4 Y4 -","- C296 H288 F24 N32 O68 S8 Y8 -","2","0.5","","Liu, Yi-Fu; Gil-Ramírez, Guzmán; Nakamura, Takashi","Synthesis of Macrocyclic Salen Rare-Earth Complexes and Their Framework Conversion Regulated by Coordination Sphere Engineering","Chemical Communications","2024","","","","","10.1039/D4CC03851G","","","0.71073","MoKα","","0.1401","0.1053","","","0.2676","0.2968","","","","","","1.049","","","","has coordinates","296091","2024-11-23","22:51:28",""
"7134002","10.4748","0.0006","31.686","0.0015","32.6723","0.0016","90","","90","","90","","10844.1","1","100","2","100","2","","","","","","","","7","I 2 2 2","I 2 2","23","","","","- C148 H176 F12 Lu4 N16 O36 S4 -","- C148 H144 F12 Lu4 N16 O36 S4 -","- C296 H288 F24 Lu8 N32 O72 S8 -","2","0.25","","Liu, Yi-Fu; Gil-Ramírez, Guzmán; Nakamura, Takashi","Synthesis of Macrocyclic Salen Rare-Earth Complexes and Their Framework Conversion Regulated by Coordination Sphere Engineering","Chemical Communications","2024","","","","","10.1039/D4CC03851G","","","0.71073","MoKα","","0.1014","0.0679","","","0.1747","0.2024","","","","","","1.033","","","","has coordinates,has disorder","296091","2024-11-23","22:51:29",""
"7134003","35.451","0.003","35.451","0.003","35.451","0.003","90","","90","","90","","44554","7","100","2","100","2","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- C141 H183 Co3 Lu3 N12 O36 P9 -","- C141 H177 Co3 Lu3 N12 O36 P9 -","- C1128 H1416 Co24 Lu24 N96 O288 P72 -","8","0.333333","","Liu, Yi-Fu; Gil-Ramírez, Guzmán; Nakamura, Takashi","Synthesis of Macrocyclic Salen Rare-Earth Complexes and Their Framework Conversion Regulated by Coordination Sphere Engineering","Chemical Communications","2024","","","","","10.1039/D4CC03851G","","","0.71073","MoKα","","0.0722","0.0519","","","0.122","0.1429","","","","","","1.075","","","","has coordinates","296091","2024-11-23","22:51:29",""
"7134004","12.6674","0.0002","20.0273","0.0004","16.7069","0.0003","90","","95.167","0.001","90","","4221.21","0.13","173","0.1","173","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H50 B2 S3 -","- C48 H50 B2 S3 -","- C192 H200 B8 S12 -","4","1","","Dai, Yuyang; Wang, Yu; Wang, Liliang; Qi, Fan; Li, Qianli; Kong, Lingbing","Crystalline potassium boryl dithiolate and diselenolate","Chemical Communications","2024","","","","","10.1039/D4CC05240D","","x-ray","1.54184","CuKα","","0.0876","0.0679","","","0.2005","0.2323","","","","","","1.118","","","","has coordinates","296093","2024-11-25","22:52:10",""
"7134005","12.8396","0.0001","19.9939","0.0002","16.8684","0.0002","90","","95.423","0.001","90","","4310.97","0.08","172.99","0.1","172.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H50 B2 Se3 -","- C48 H50 B2 Se3 -","- C192 H200 B8 Se12 -","4","1","","Dai, Yuyang; Wang, Yu; Wang, Liliang; Qi, Fan; Li, Qianli; Kong, Lingbing","Crystalline potassium boryl dithiolate and diselenolate","Chemical Communications","2024","","","","","10.1039/D4CC05240D","","x-ray","1.54184","CuKα","","0.0516","0.036","","","0.0814","0.0925","","","","","","1.071","","","","has coordinates","296093","2024-11-25","22:52:10",""
"7134006","12.7889","0.0003","12.3813","0.0004","22.4926","0.0006","90","","95.48","0.002","90","","3545.27","0.17","172.99","0.1","172.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H41 B K2 O2 Se3 -","- C32 H41 B K2 O2 Se3 -","- C128 H164 B4 K8 O8 Se12 -","4","1","","Dai, Yuyang; Wang, Yu; Wang, Liliang; Qi, Fan; Li, Qianli; Kong, Lingbing","Crystalline potassium boryl dithiolate and diselenolate","Chemical Communications","2024","","","","","10.1039/D4CC05240D","","x-ray","1.54184","CuKα","","0.0694","0.0528","","","0.1195","0.1269","","","","","","1.043","","","","has coordinates,has disorder","296093","2024-11-25","22:52:11",""
"7134007","14.8368","0.0005","17.0181","0.0006","20.5205","0.0007","88.753","0.003","70.986","0.003","68.924","0.003","4544.1","0.3","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C88 H107 B3 K6 O4 S6 -","- C88 H107 B3 K6 O4 S6 -","- C176 H214 B6 K12 O8 S12 -","2","1","","Dai, Yuyang; Wang, Yu; Wang, Liliang; Qi, Fan; Li, Qianli; Kong, Lingbing","Crystalline potassium boryl dithiolate and diselenolate","Chemical Communications","2024","","","","","10.1039/D4CC05240D","","x-ray","1.54184","CuKα","","0.1086","0.0768","","","0.1619","0.1762","","","","","","1.105","","","","has coordinates,has disorder","296093","2024-11-25","22:52:11",""
"7134008","5.679","0.004","3.24","0.002","9.624","0.008","90","","99.25","0.03","90","","174.8","0.2","273","2","273","2","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- S2.67 W -","- S2.66 W -","- S5.32 W2 -","2","0.5","","Sun, Ruijin; Li, Haodong; Zhang, Duo; Liu, Zhaolong; Ma, Yuxin; Meng, Dezhong; Zhao, Changchun","Topochemical Synthesis of Anion-Intercalated Transition Metal Dichalcogenide Superconductor S0.66(2)WS₂","Chemical Communications","2024","","","","","10.1039/D4CC05514D","","","0.71073","MoKα","","0.0687","0.0544","","","0.1189","0.1382","","","","","","1.272","","","","has coordinates,has disorder","296094","2024-11-25","22:52:37",""
"7134009","27.88","0.009","19.22","0.007","40.725","0.015","90","","94.444","0.01","90","","21757","13","273","","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C192 H100 Fe6 O38 -","- C192 H100 Fe6 O38 -","- C384 H200 Fe12 O76 -","2","1","","Wang, Kun; Cao, Honghao; Zhong, Yuanlong; Yang, Zhenning; Shi, Hancheng; Xiong, Zhangyi; Mu, Yuqiao; Chen, Zhijie","Porous MOFs with Geometric Mismatch between Trimers and Octatopic Pyrene-Based Ligands for Low-Temperature Methane Storage","Chemical Communications","2024","","","","","10.1039/D4CC04907A","","","0.68883","synchrotron","","0.0704","0.0489","","","0.1142","0.1226","","","","","","0.957","","","","has coordinates","296095","2024-11-25","22:53:12",""
"7134010","27.956","0.007","18.611","0.005","40.282","0.011","90","","93.679","0.006","90","","20915","10","275","","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C192 H100 Cr6 O38 -","- C192 H100 Cr6 O38 -","- C384 H200 Cr12 O76 -","2","1","","Wang, Kun; Cao, Honghao; Zhong, Yuanlong; Yang, Zhenning; Shi, Hancheng; Xiong, Zhangyi; Mu, Yuqiao; Chen, Zhijie","Porous MOFs with Geometric Mismatch between Trimers and Octatopic Pyrene-Based Ligands for Low-Temperature Methane Storage","Chemical Communications","2024","","","","","10.1039/D4CC04907A","","","0.7085","synchrotron","","0.102","0.0705","","","0.189","0.2178","","","","","","1.042","","","","has coordinates","296095","2024-11-25","22:53:13",""
"7134011","13.8769","0.0002","13.8769","0.0002","35.5657","0.0012","90","","90","","90","","6848.8","0.3","120","","120","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C65.5 H11 B N2 S -","- C65.5 H11 B N2 S -","- C524 H88 B8 N16 S8 -","8","1","","Yuan, Sheng-Hu; Ma, Shu-Chao; Wu, Jian; Zheng, Xiu-Ying; Xuan, Jun; Li, Fei","NHC-BH2-C60H: Synthesis, Characterization and Electrochemical Properties of the N‑heterocyclic Carbene Stabilized Fullerene-borane Complex","Chemical Communications","2024","","","","","10.1039/D4CC04866K","","x-ray","1.54184","CuKα","","0.197","0.1632","","","0.4182","0.4511","","","","","","1.126","","","","has coordinates","296096","2024-11-25","22:53:34",""
"7134012","23.6054","0.001","8.6447","0.0003","20.0369","0.0009","90","","111.785","0.005","90","","3796.8","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H40 Br10 N4 O4 Pb3 -","- C12 H40 Br10 N4 O4 Pb3 -","- C48 H160 Br40 N16 O16 Pb12 -","4","0.5","","Wang, Wei; Zhang, Jing-Meng; Jin, Ming-Liang; Jing, Chang-Qing; Zhang, Wen","A 9R-Like 2D Hybrid Metal Halide with Remarkably Low Melting Temperature","Chemical Communications","2024","","","","","10.1039/D4CC05616G","","x-ray","0.71073","MoKα","","0.0495","0.0403","","","0.1072","0.1112","","","","","","1.08","","","","has coordinates","296097","2024-11-25","22:53:52",""
"7134013","19.9247","0.0018","19.9247","0.0018","68.595","0.009","90","","90","","120","","23583","4","247","2","247.15","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C222 H298 N43 O110 Tb12 -","- C159 H157 N22 O89 Tb12 -","- C477 H471 N66 O267 Tb36 -","3","0.5","","Li, Yi; Zhang, Xiaoman; Wang, Huizhen; Zhang, Lin; Li, Hongjun; Zhao, Dian","A NbO-type mixed lanthanide metal-organic framework for cryogenic temperature sensing","Chemical Communications","2024","","","","","10.1039/D4CC04715J","","","0.71073","MoKα","","0.0576","0.0544","","","0.1424","0.1448","","","","","","1.029","","","","has coordinates,has disorder","296098","2024-11-25","22:55:24",""
"7134014","15.7675","0.0004","29.1952","0.0007","44.3515","0.0014","90","","91.927","0.002","90","","20405","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C103.2 H249.4 O109 P Ti24 W12 -","- C99 H231 O104 P Ti24 W12 -","- C396 H924 O416 P4 Ti96 W48 -","4","1","","Yu, Haiyan; Wang, Xueting; Kong, Tingting; Gao, Mei-Yan; Cui, Xiaofeng","Assembling Molecular Semiconductor Composite for Enhanced Photocatalytic Cyclohexene Oxidation","Chemical Communications","2024","","","","","10.1039/D4CC04194A","","","0.71073","MoKα","","0.1203","0.0939","","","0.2482","0.2739","","","","","","1.055","","","","has coordinates,has disorder","296119","2024-11-26","22:53:12",""
"7134015","6.4227","0.0012","6.4227","0.0012","16.34","0.004","90","","90","","120","","583.7","0.2","100","0.1","100","0.1","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Cd Cu3 O8 Te2 -","- Cd Cu3 O8 Te2 -","- Cd3 Cu9 O24 Te6 -","3","0.0833333","","Wang, Guozhao; Xiang, Wenya; Zhao, Zhiying; Cui, Meiyan; He, Zhangzhen","Two New Tellurite Compounds ACu3Te2O8 (A = Ca, Cd) with Ferromagnetic Spin-1/2 Kagomé Layers","Chemical Communications","2024","","","","","10.1039/D4CC03756A","","x-ray","0.71073","MoKα","","0.0391","0.0358","","","0.0745","0.0756","","","","","","1.161","","","","has coordinates","296120","2024-11-26","22:53:34",""
"7134016","6.4391","0.0003","6.4391","0.0003","16.7324","0.0008","90","","90","","120","","600.81","0.05","113","5","113","5","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Ca Cu3 O8 Te2 -","- Ca Cu3 O8 Te2 -","- Ca3 Cu9 O24 Te6 -","3","0.0833333","","Wang, Guozhao; Xiang, Wenya; Zhao, Zhiying; Cui, Meiyan; He, Zhangzhen","Two New Tellurite Compounds ACu3Te2O8 (A = Ca, Cd) with Ferromagnetic Spin-1/2 Kagomé Layers","Chemical Communications","2024","","","","","10.1039/D4CC03756A","","x-ray","0.71073","MoKα","","0.0313","0.0311","","","0.0732","0.0733","","","","","","1.296","","","","has coordinates","296120","2024-11-26","22:53:35",""
"7134017","11.0277","0.0005","12.5158","0.0004","13.0402","0.0005","72.121","0.004","65.597","0.004","88.754","0.003","1548.36","0.13","222","2","222.15","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H26 N5 O7 S -","- C33 H26 N5 O7 S -","- C66 H52 N10 O14 S2 -","2","1","","Gupta, Astha; Dar, Mohammad Ovais; Singh, Tejender; Dubey, Gurudutt; Sahoo, Subash Chandra; Bharatam, Prasad V.","Stabilizing 4π Electron Pyrrolyl Cations by Inducing Aromaticity","Chemical Communications","2024","","","","","10.1039/D4CC04560B","","","0.71073","MoKα","","0.1414","0.1043","","","0.3178","0.3471","","","","","","1.2458","","","","has coordinates,has disorder","296121","2024-11-26","22:53:56",""
"7134018","14.6295","0.0005","19.7444","0.0006","26.6859","0.001","80.311","0.001","84.209","0.002","87.574","0.001","7557","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C139.25 H137 Na8 O51.25 Ru4 S8 -","- C139.25 H137 Na8 O51.25 Ru4 S8 -","- C278.5 H274 Na16 O102.5 Ru8 S16 -","2","1","","Diekamp, Justus; Schmidt, Annika; Holstein, Julian J.; Strohman, Carsten; Seidensticker, Thomas","Synthesis and Catalytic Testing of the First Hydrophilic Derivative of Shvo’s Catalyst","Chemical Communications","2024","","","","","10.1039/D4CC04390A","","x-ray","0.71073","MoKα","","0.0824","0.063","","","0.1502","0.1612","","","","","","1.064","","","","has coordinates,has disorder","296136","2024-11-27","22:50:36",""
"7134019","22.9073","0.0008","14.4467","0.0004","21.789","0.0007","90","","114.642","0.004","90","","6554.1","0.4","300","0.1","300","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H24 Cl2 N6 O8 Zn -","- C30 H24 Cl2 N6 O8 Zn -","- C240 H192 Cl16 N48 O64 Zn8 -","8","2","","Haldar, Rajashi; Naskar, Sudip; Jana, Bapan; Mandal, Dipankar; Shanmugam, Maheswaran","Harnessing Thermal Waste with a Poling-free Molecular Pyroelectric Zinc(II) Complex","Chemical Communications","2024","","","","","10.1039/D4CC06054G","","x-ray","0.71073","MoKα","","0.112","0.0833","","","0.2264","0.2631","","","","","","1.008","","","","has coordinates,has disorder","296137","2024-11-27","22:51:07",""
"7134020","17.5478","0.0006","10.837","0.0004","16.1007","0.0005","90","","91.106","0.003","90","","3061.23","0.18","340","0.1","340","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 Cl2 N6 O8 Zn -","- C30 H24 Cl2 N6 O8 Zn -","- C120 H96 Cl8 N24 O32 Zn4 -","4","0.5","","Haldar, Rajashi; Naskar, Sudip; Jana, Bapan; Mandal, Dipankar; Shanmugam, Maheswaran","Harnessing Thermal Waste with a Poling-free Molecular Pyroelectric Zinc(II) Complex","Chemical Communications","2024","","","","","10.1039/D4CC06054G","","x-ray","0.71073","MoKα","","0.0798","0.0533","","","0.134","0.1547","","","","","","1.037","","","","has coordinates","296137","2024-11-27","22:51:08",""
"7134021","10.5944","0.0009","10.5944","0.0009","16.2218","0.0014","90","","90","","120","","1576.8","0.2","400","0.1","400","0.1","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C30 H24 Cl2 N6 O10 Zn -","- C30 H24 Cl2 N6 O8 Zn -","- C60 H48 Cl4 N12 O16 Zn2 -","2","0.166667","","Haldar, Rajashi; Naskar, Sudip; Jana, Bapan; Mandal, Dipankar; Shanmugam, Maheswaran","Harnessing Thermal Waste with a Poling-free Molecular Pyroelectric Zinc(II) Complex","Chemical Communications","2024","","","","","10.1039/D4CC06054G","","x-ray","0.71073","MoKα","","0.1259","0.0881","","","0.269","0.3105","","","","","","1.091","","","","has coordinates","296137","2024-11-27","22:51:08",""
"7134022","11.3856","0.0001","21.6393","0.0003","20.1707","0.0003","90","","96.023","0.001","90","","4942.15","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H64 N6 O10 P2 -","- C48 H64 N6 O10 P2 -","- C192 H256 N24 O40 P8 -","4","1","","Kondoh, Azusa; Yamaguchi, Sho; Terada, Masahiro","Phosphazene base-catalyzed telescopic three-component reaction involving 1,1-difunctionalization of electron-deficient alkenes","Chemical Communications","2024","","","","","10.1039/D4CC05169F","","x-ray","0.71073","MoKα","","0.0513","0.0374","","","0.0932","0.1003","","","","","","1.038","","","","has coordinates","296148","2024-11-28","22:49:33",""
"7134023","13.2356","0.0017","11.9576","0.0015","16.874","0.002","90","","98.179","0.004","90","","2643.4","0.6","100","0.2","100","0.2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H72 Cl12 N6 O6 Tb2 -","- C30 H72 Cl12 N6 O6 Tb2 -","- C60 H144 Cl24 N12 O12 Tb4 -","2","1","","Zhang, Yan; Wei, Yi; Li, Chen; Wang, Yuxuan; Liu, Yulian; He, Meiying; Luo, Zhishan; Chang, Xiaoyong; Kuang, Xiaojun; Quan, Zewei","Efficient circularly polarized luminescence from zero-dimensional terbium- and europium-based hybrid metal halides.","Chemical communications (Cambridge, England)","2024","","","","","10.1039/d4cc05206d","","x-ray","0.71073","MoKα","","0.0895","0.0735","","","0.1879","0.2028","","","","","","1.048","","","","has coordinates,has disorder","296168","2024-11-29","22:52:26",""
"7134024","13.333","0.0005","11.9679","0.0004","16.8004","0.0006","90","","97.799","0.001","90","","2656.01","0.16","100","0.2","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H72 Cl12 Eu2 N6 O6 -","- C30 H72 Cl12 Eu2 N6 O6 -","- C60 H144 Cl24 Eu4 N12 O12 -","2","1","","Zhang, Yan; Wei, Yi; Li, Chen; Wang, Yuxuan; Liu, Yulian; He, Meiying; Luo, Zhishan; Chang, Xiaoyong; Kuang, Xiaojun; Quan, Zewei","Efficient circularly polarized luminescence from zero-dimensional terbium- and europium-based hybrid metal halides.","Chemical communications (Cambridge, England)","2024","","","","","10.1039/d4cc05206d","","","0.71073","MoKα","","0.0608","0.0446","","","0.0809","0.0885","","","","","","1.044","","","","has coordinates,has disorder","296168","2024-11-29","22:52:27",""
"7134025","13.3233","0.0006","11.9727","0.0006","16.8005","0.0008","90","","97.753","0.002","90","","2655.4","0.2","100","0.2","100","0.2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H72 Cl12 Eu2 N6 O6 -","- C30 H72 Cl12 Eu2 N6 O6 -","- C60 H144 Cl24 Eu4 N12 O12 -","2","1","","Zhang, Yan; Wei, Yi; Li, Chen; Wang, Yuxuan; Liu, Yulian; He, Meiying; Luo, Zhishan; Chang, Xiaoyong; Kuang, Xiaojun; Quan, Zewei","Efficient circularly polarized luminescence from zero-dimensional terbium- and europium-based hybrid metal halides.","Chemical communications (Cambridge, England)","2024","","","","","10.1039/d4cc05206d","","x-ray","0.71073","MoKα","","0.0734","0.0474","","","0.0783","0.0881","","","","","","1.049","","","","has coordinates,has disorder","296168","2024-11-29","22:52:27",""
"7134026","13.2751","0.0007","11.9418","0.0007","16.8205","0.001","90","","97.982","0.002","90","","2640.7","0.3","100","0.2","100","0.2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H72 Cl12 N6 O6 Tb2 -","- C30 H72 Cl12 N6 O6 Tb2 -","- C60 H144 Cl24 N12 O12 Tb4 -","2","1","","Zhang, Yan; Wei, Yi; Li, Chen; Wang, Yuxuan; Liu, Yulian; He, Meiying; Luo, Zhishan; Chang, Xiaoyong; Kuang, Xiaojun; Quan, Zewei","Efficient circularly polarized luminescence from zero-dimensional terbium- and europium-based hybrid metal halides.","Chemical communications (Cambridge, England)","2024","","","","","10.1039/d4cc05206d","","x-ray","0.71073","MoKα","","0.0663","0.0476","","","0.0908","0.1017","","","","","","1.053","","","","has coordinates,has disorder","296168","2024-11-29","22:52:27",""
"7134027","16.2399","0.0012","47.8","0.004","8.1006","0.0007","90","","90","","90","","6288.2","0.9","294","","294","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C18 H13 F3 N2 O -","- C18 H13 F3 N2 O -","- C288 H208 F48 N32 O16 -","16","1","","Cui, Jia-Huan; Chen, Qian-Yu; Zhang, Jun; He, Yan; Li, Xingguang; Liu, Pei-Nian","Visible light-induced cascade annulation of sulfoxonium ylides with azides for the synthesis of 2-trifluoromethyl indoles","Chemical Communications","2024","","","","","10.1039/D4CC05513F","","","1.54178","CuKα","","0.0454","0.0435","","","0.1019","0.1033","","","","","","1.167","","","","has coordinates","296178","2024-12-02","22:52:42",""
"7134028","16.5134","0.0007","8.0265","0.0004","16.5356","0.0007","90","","117.207","0.002","90","","1949.22","0.16","295","","295","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Br F3 N2 O2 S -","- C18 H16 Br F3 N2 O2 S -","- C72 H64 Br4 F12 N8 O8 S4 -","4","1","","Cui, Jia-Huan; Chen, Qian-Yu; Zhang, Jun; He, Yan; Li, Xingguang; Liu, Pei-Nian","Visible light-induced cascade annulation of sulfoxonium ylides with azides for the synthesis of 2-trifluoromethyl indoles","Chemical Communications","2024","","","","","10.1039/D4CC05513F","","","1.54178","CuKα","","0.0518","0.0493","","","0.1274","0.1292","","","","","","1.13","","","","has coordinates,has disorder","296178","2024-12-02","22:52:42",""
"7134029","33.896","0.003","12.289","0.001","16.7731","0.0015","90","","90","","90","","6986.8","1","298","","298","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C46 H34 O4 -","- C46 H34 O4 -","- C368 H272 O32 -","8","1","","Goel, Komal; Gedu, Satyanarayana","A Rapid Pathway to Molecular Complexity: Palladium-Catalyzed Six-Fold Domino Process to Access Polycyclic Frameworks**","Chemical Communications","2024","","","","","10.1039/D4CC05380J","","","0.71073","MoKα","","0.1293","0.0692","","","0.1566","0.1864","","","","","","1.039","","","","has coordinates,has disorder","296179","2024-12-02","22:53:11",""
"7134030","10.8616","0.0007","17.3612","0.0011","8.0514","0.0004","90","","90","","90","","1518.26","0.16","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H15 Cl O3 -","- C17 H15 Cl O3 -","- C68 H60 Cl4 O12 -","4","1","","Cariello, Guilherme; Gallo, Rafael D. C.; Deflon, Victor Marcelo; Cormanich, Rodrigo A.; Jurberg, Igor D.","Visible Light-Mediated Formal Alkylation and [4+1]-Cycloaddition Strategies of Silyl Enol Ethers with Aryldiazoacetates","Chemical Communications","2024","","","","","10.1039/D4CC05451B","","","0.71073","MoKα","","0.077","0.049","","","0.1051","0.122","","","","","","1.068","","","","has coordinates","296201","2024-12-03","22:52:55",""
"7134031","15.18","0.004","14.833","0.003","10.438","0.003","90","","123.148","0.016","90","","1967.8","0.9","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H24 B3 N3 -","- C21 H24 B3 N3 -","- C84 H96 B12 N12 -","4","0.5","","Wakchaure, Vivek Chandrakant; Dosso, Jacopo; Bonifazi, Davide; Crosta, Martina; Kählig, Hanspeter; Ward, Benjamin D.","Expression of hyperconjugative stereoelectronic interactions in borazines","Chemical Communications","2024","","","","","10.1039/D4CC05188B","","","0.71073","MoKα","","0.0812","0.0423","","","0.0922","0.1016","","","","","","0.911","","","","has coordinates,has disorder","296217","2024-12-04","22:53:19",""
"7134032","11.8518","0.0008","12.9244","0.001","21.2118","0.0019","90","","90","","90","","3249.2","0.4","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C36 H48 B3 N3 -","- C36 H48 B3 N3 -","- C144 H192 B12 N12 -","4","1","","Wakchaure, Vivek Chandrakant; Dosso, Jacopo; Bonifazi, Davide; Crosta, Martina; Kählig, Hanspeter; Ward, Benjamin D.","Expression of hyperconjugative stereoelectronic interactions in borazines","Chemical Communications","2024","","","","","10.1039/D4CC05188B","","","0.71073","MoKα","","0.0987","0.0532","","","0.1214","0.137","","","","","","0.893","","","","has coordinates,has disorder","296217","2024-12-04","22:53:22",""
"7134033","23.3352","0.0006","11.91","0.0003","16.391","0.0007","90","","126.03","0.0006","90","","3684","0.2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 Cl2 Co N6 O8 -","- C36 H34 Cl2 Co N6 O8 -","- C144 H136 Cl8 Co4 N24 O32 -","4","0.5","","Hoq, Jahidul; Dworzak, Michael; Dissanayake, Duleeka; Skalla, Rebecca Xiumei; Yamamoto, Nobuyuki; Yap, Glenn P. A.; Bloch, Eric D.","Post-synthetic modification of amine-functionalized permanently porous coordination cages","Chemical Communications","2024","","","","","10.1039/D4CC04370G","","","0.71073","MoKα","","0.0338","0.0308","","","0.0825","0.0861","","","","","","1.075","","","","has coordinates","296218","2024-12-04","22:53:57",""
"7134034","13.1543","0.0012","8.5115","0.0008","16.4253","0.0015","90","","110.597","0.005","90","","1721.5","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl2 N2 O4 Pd -","- C16 H14 Cl2 N2 O4 Pd -","- C64 H56 Cl8 N8 O16 Pd4 -","4","1","","Hoq, Jahidul; Dworzak, Michael; Dissanayake, Duleeka; Skalla, Rebecca Xiumei; Yamamoto, Nobuyuki; Yap, Glenn P. A.; Bloch, Eric D.","Post-synthetic modification of amine-functionalized permanently porous coordination cages","Chemical Communications","2024","","","","","10.1039/D4CC04370G","","","1.54178","CuKα","","0.0455","0.0407","","","0.0819","0.0838","","","","","","1.083","","","","has coordinates","296218","2024-12-04","22:54:00",""
"7134037","11.2219","0.0016","13.1963","0.0019","15.947","0.002","72.8","0.005","70.92","0.004","65.017","0.005","1988.4","0.5","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 B N4 O -","- C22 H23 B N4 O -","- C88 H92 B4 N16 O4 -","4","2","","Bayer Kömüşdoğan, Ezgi; Batool, Sania; Sahin, Ertan; Yildirim, Erol; Işık, Murat; Tanyeli, Cihangir","Multicomponent Synthesis of Stereogenic-at-Boron Fluorophores (BOSPYR) from Boronic Acids, Salicylaldehydes, and 2-Formylpyrrole Hydrazones","Chemical Communications","2024","","","","","10.1039/D4CC03956D","","","0.71073","MoKα","","0.2569","0.0891","","","0.1729","0.1839","","","","","","1.015","","","","has coordinates","296793","2024-12-07","22:52:56",""
"7159663","13.7131","0.0003","15.4192","0.0003","18.7176","0.0003","83.5207","0.0015","73.4507","0.0016","69.2324","0.0018","3546.99","0.13","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C136 H180 N14 O10 S4 -","- C136 H180 N14 O10 S4 -","- C136 H180 N14 O10 S4 -","1","0.5","","Takashima, Rikito; Aoki, Daisuke; Takahashi, Akira; Otsuka, Hideyuki","A thermally driven rotaxane-catenane interconversion with a dynamic bis(hindered amino) disulfide.","Organic & biomolecular chemistry","2024","22","5","927","931","10.1039/d3ob01693e","","x-ray","1.54184","CuKα","","0.0916","0.0727","","","0.2382","0.2579","","","","","","1.079","","","","has coordinates","289612","2024-02-04","12:27:11",""
"7159664","4.5378","0.0003","10.6153","0.0007","13.1018","0.0009","90","","91.716","0.003","90","","630.83","0.07","164","2","164","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-hydroxy-4-methylbenzo[e][1,2]oxaphosphinine 2-oxide","","- C14 H10 Cl O3 P -","- C14 H10 Cl O3 P -","- C28 H20 Cl2 O6 P2 -","2","1","","Tatarinov, Dmitry A.; Mikulenkova, Elina A.; Litvinov, Igor A.; Khayarov, Khasan R.; Mironov, Vladimir F.","Divergent synthesis of benzoxaphospholenes and phosphacoumarins via the reaction of 2-alkenylphenols with phosphorus(iii/v) chlorides","Organic & Biomolecular Chemistry","2024","22","8","1629","1633","10.1039/D3OB01718D","","","0.71073","MoKα","","0.0281","0.0278","","","0.0711","0.0712","","","","","","1.138","","","","has coordinates","290251","2024-03-04","20:39:26",""
"7159665","6.4079","0.0003","6.8535","0.0003","22.6667","0.0011","90","","90","","90","","995.44","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-hydroxy-3,3-dimethyl-3H-benzo[d][1,2]oxaphosphole 2-oxide","","- C9 H13 O4 P -","- C9 H13 O4 P -","- C36 H52 O16 P4 -","4","1","","Tatarinov, Dmitry A.; Mikulenkova, Elina A.; Litvinov, Igor A.; Khayarov, Khasan R.; Mironov, Vladimir F.","Divergent synthesis of benzoxaphospholenes and phosphacoumarins via the reaction of 2-alkenylphenols with phosphorus(iii/v) chlorides","Organic & Biomolecular Chemistry","2024","22","8","1629","1633","10.1039/D3OB01718D","","","0.71073","MoKα","","0.0293","0.0285","","","0.0717","0.072","","","","","","1.066","","","","has coordinates","290251","2024-03-04","20:39:26",""
"7159666","10.4785","0.0005","12.0901","0.0006","12.1355","0.0006","71.222","0.002","65.046","0.002","64.73","0.002","1241.5","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-(1-(2-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl)-4-(4-methoxyphenyl)benzo[e][1,2]oxaphosphinine 2-oxide","","- C30 H27 O5 P -","- C30 H27 O5 P -","- C60 H54 O10 P2 -","2","1","","Tatarinov, Dmitry A.; Mikulenkova, Elina A.; Litvinov, Igor A.; Khayarov, Khasan R.; Mironov, Vladimir F.","Divergent synthesis of benzoxaphospholenes and phosphacoumarins via the reaction of 2-alkenylphenols with phosphorus(iii/v) chlorides","Organic & Biomolecular Chemistry","2024","22","8","1629","1633","10.1039/D3OB01718D","","","0.71073","MoKα","","0.0718","0.0465","","","0.1118","0.1206","","","","","","1.038","","","","has coordinates","290251","2024-03-04","20:39:26",""
"7159667","11.552","0.006","18.511","0.004","11.652","0.003","90","","107.119","0.016","90","","2381.3","1.5","135","2","135","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(1-(2-hydroxyphenyl)-1-(p-tolyl)ethyl)-4-(p-tolyl)benzo[e][1,2]oxaphosphinine 2-oxide","","- C30 H27 O3 P -","- C30 H27 O3 P -","- C120 H108 O12 P4 -","4","1","","Tatarinov, Dmitry A.; Mikulenkova, Elina A.; Litvinov, Igor A.; Khayarov, Khasan R.; Mironov, Vladimir F.","Divergent synthesis of benzoxaphospholenes and phosphacoumarins via the reaction of 2-alkenylphenols with phosphorus(iii/v) chlorides","Organic & Biomolecular Chemistry","2024","22","8","1629","1633","10.1039/D3OB01718D","","","0.71073","MoKα","","0.1151","0.0574","","","0.1386","0.1483","","","","","","1.077","","","","has coordinates","290251","2024-03-04","20:39:26",""
"7159668","11.0159","0.0007","4.4255","0.0003","25.0968","0.0016","90","","92.518","0.003","90","","1222.31","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(p-tolyl)benzo[e][1,2]oxaphosphinine 2-oxide","","- C15 H13 O2 P -","- C15 H13 O2 P -","- C60 H52 O8 P4 -","4","1","","Tatarinov, Dmitry A.; Mikulenkova, Elina A.; Litvinov, Igor A.; Khayarov, Khasan R.; Mironov, Vladimir F.","Divergent synthesis of benzoxaphospholenes and phosphacoumarins via the reaction of 2-alkenylphenols with phosphorus(iii/v) chlorides","Organic & Biomolecular Chemistry","2024","22","8","1629","1633","10.1039/D3OB01718D","","","0.71073","MoKα","","0.0472","0.0433","","","0.1144","0.1162","","","","","","1.145","","","","has coordinates","290251","2024-03-04","20:39:27",""
"7159669","11.4101","0.0005","18.7328","0.0007","11.606","0.0004","90","","108.346","0.002","90","","2354.62","0.16","162","2","162","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(4-chlorophenyl)-2-(1-(4-chlorophenyl)-1-(2-hydroxyphenyl)ethyl)benzo[e][1,2]oxaphosphinine 2-oxide","","- C28 H21 Cl2 O3 P -","- C28 H21 Cl2 O3 P -","- C112 H84 Cl8 O12 P4 -","4","1","","Tatarinov, Dmitry A.; Mikulenkova, Elina A.; Litvinov, Igor A.; Khayarov, Khasan R.; Mironov, Vladimir F.","Divergent synthesis of benzoxaphospholenes and phosphacoumarins via the reaction of 2-alkenylphenols with phosphorus(iii/v) chlorides","Organic & Biomolecular Chemistry","2024","22","8","1629","1633","10.1039/D3OB01718D","","","0.71073","MoKα","","0.1251","0.1086","","","0.2217","0.2281","","","","","","1.135","","","","has coordinates","290251","2024-03-04","20:39:27",""
"7159694","10.6348","0.0003","14.9932","0.0005","15.9123","0.0004","83.694","0.002","73.596","0.002","73.516","0.002","2332.68","0.12","171","2","171","2","","","","","","","","5","P -1","-P 1","2","","1+DSDB24C8","","- C44 H55 N2 O19 S2 -","- C44 H55 N2 O19 S2 -","- C88 H110 N4 O38 S4 -","2","1","","Kotera, Naoko; Montellano, Pilar; Catalán, Aldo C.; Carrasco-Ruiz, Anayeli; Cervantes, Ruy; Tiburcio, Jorge","Correlated translational motions in pseudo-rotaxane complexes controlled by a single chemical stimulus","Organic & Biomolecular Chemistry","2024","22","6","1135","1140","10.1039/D3OB01741A","","x-ray","0.71073","MoKα","","0.1798","0.1096","","","0.2926","0.3339","","","","","","1.047","","","","has coordinates,has disorder","290261","2024-03-04","20:41:03",""
"7159704","17.3854","0.0019","7.5604","0.0008","20.364","0.002","90","","90","","90","","2676.7","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H12 N4 O -","- C16 H6 N4 O -","- C128 H48 N32 O8 -","8","1","","Oh, Hyunjin; Kim, Ikyon","Catalyst-free assembly of a polyfunctionalized 1,2,4-triazole-fused N-heterocycle, 6-acylated pyrrolo[1,2-<i>a</i>][1,2,4]triazolo[5,1-<i>c</i>]pyrazine.","Organic & biomolecular chemistry","2024","22","2","320","336","10.1039/d3ob01747h","","","0.71073","MoKα","","0.0984","0.0738","","","0.2067","0.2302","","","","","","1.076","","","","has coordinates","289628","2024-02-04","12:29:34",""
"7159707","12.1123","0.0007","13.4106","0.0009","15.0272","0.0007","90.102","0.005","111.664","0.005","113.639","0.006","2045.7","0.3","153","70","153","70","","","","","","","","5","P -1","-P 1","2","","3-(2-bromophenyl)-1-cyclohexyl-4-(1H-indol-2-yl)-1H-pyrrole-2,5-dione","","- C10.67 H9.33 Br0.44 N0.89 O0.89 -","- C10.6667 H9.33333 Br0.444444 N0.888889 O0.888889 -","- C96 H84 Br4 N8 O8 -","9","4.5","","Bandehali-Naeini, Farzaneh; Tanbakouchian, Zahra; Farajinia-Lehi, Noushin; Mayer, Nicolas; Shiri, Morteza; Breugst, Martin","Two distinct protocols for the synthesis of unsymmetrical 3,4-disubstituted maleimides based on transition-metal catalysts.","Organic & biomolecular chemistry","2024","22","2","380","387","10.1039/d3ob01620j","","x-ray","0.71073","MoKα","","0.0941","0.0752","","","0.2439","0.283","","","","","","1.205","","","","has coordinates","289630","2024-02-04","12:29:46",""
"7159709","8.6773","0.0001","8.6773","0.0001","17.892","0.0005","90","","90","","90","","1347.19","0.04","93","","93","","","","","","","","","4","P 43","P 4cw","78","","(S)-3-[(R)-Bromo(4-methylphenyl)methyl]isobenzofuran-1(3H)-one","","- C16 H13 Br O2 -","- C16 H13 Br O2 -","- C64 H52 Br4 O8 -","4","1","","Sugano, Masayuki; Inokuma, Tsubasa; Yamaoka, Yousuke; Yamada, Ken-Ichi","5-<i>exo</i>-Selective asymmetric bromolactonization of stilbenecarboxylic acids catalyzed by phenol-bearing chiral thiourea.","Organic & biomolecular chemistry","2024","22","9","1765","1769","10.1039/d3ob01895d","","x-ray","1.54184","CuKα","","0.0637","0.0635","","","0.1655","0.1657","","","","","","1.101","","","","has coordinates","290276","2024-03-04","20:43:34",""
"7159710","9.4004","0.0002","9.4572","0.0002","22.4551","0.0004","82.188","0.002","80.662","0.002","60.116","0.001","1704.38","0.06","295","2","295","","","","","","","","","6","P 1","P 1","1","","","","- C38 H44 N O4 P S -","- C38 H44 N O4 P S -","- C76 H88 N2 O8 P2 S2 -","2","2","","Gavrilov, Konstantin N.; Chuchelkin, Ilya V.; Firsin, Ilya D.; Trunina, Valeria M.; Gavrilov, Vladislav K.; Zheglov, Sergey V.; Fedorov, Denis A.; Tafeenko, Victor A.; Zamilatskov, Ilya A.; Zimarev, Vladislav S.; Goulioukina, Nataliya S.","TADDOL-based <i>P</i>,<i>S</i>-bidentate phosphoramidite ligands in palladium-catalyzed asymmetric allylic substitution.","Organic & biomolecular chemistry","2024","22","3","538","549","10.1039/d3ob01891a","","","1.54186","CuKα","","0.0551","0.0477","","","0.1187","0.1272","","","","","","1.02","","","","has coordinates","296876","2024-12-16","17:34:44",""
"7159711","29.2","0.001","29.2","0.001","10.1029","0.0004","90","","90","","120","","7460.1","0.5","295","2","295","","","","","","","","","9","P 64","P 64","172","","","","- C39 H45 B F4 N O4 P Pd S -","- C39 H45 B F4 N O4 P Pd S -","- C234 H270 B6 F24 N6 O24 P6 Pd6 S6 -","6","1","","Gavrilov, Konstantin N.; Chuchelkin, Ilya V.; Firsin, Ilya D.; Trunina, Valeria M.; Gavrilov, Vladislav K.; Zheglov, Sergey V.; Fedorov, Denis A.; Tafeenko, Victor A.; Zamilatskov, Ilya A.; Zimarev, Vladislav S.; Goulioukina, Nataliya S.","TADDOL-based <i>P</i>,<i>S</i>-bidentate phosphoramidite ligands in palladium-catalyzed asymmetric allylic substitution.","Organic & biomolecular chemistry","2024","22","3","538","549","10.1039/d3ob01891a","","","1.54186","CuKα","","0.2115","0.0544","","","0.1327","0.1613","","","","","","0.618","","","","has coordinates","289632","2024-02-04","12:30:00",""
"7159712","15.14881","0.00014","8.79337","0.00007","15.81288","0.00019","90","","112.272","0.0012","90","","1949.27","0.04","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N O3 S -","- C23 H19 N O3 S -","- C92 H76 N4 O12 S4 -","4","1","","Forshaw, Sam; Parker, Jeremy S.; Scott, William T.; Knighton, Richard C.; Tiwari, Neelam; Oladeji, Samson M.; Stevens, Andrew C.; Chew, Yean Ming; Reber, Jami; Clarkson, Guy J.; Balasubramanian, Mohan K.; Wills, Martin","Increasing the versatility of the biphenyl-fused-dioxacyclodecyne class of strained alkynes.","Organic & biomolecular chemistry","2024","22","3","590","605","10.1039/d3ob01712e","","x-ray","1.54184","CuKα","","0.0521","0.0469","","","0.1271","0.1333","","","","","","1.056","","","","has coordinates","289636","2024-02-04","12:30:29",""
"7159713","13.2109","0.0002","7.6302","0.0001","27.8997","0.0003","90","","90","","90","","2812.34","0.06","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H10 N2 O6 -","- C16 H10 N2 O6 -","- C128 H80 N16 O48 -","8","1","","Forshaw, Sam; Parker, Jeremy S.; Scott, William T.; Knighton, Richard C.; Tiwari, Neelam; Oladeji, Samson M.; Stevens, Andrew C.; Chew, Yean Ming; Reber, Jami; Clarkson, Guy J.; Balasubramanian, Mohan K.; Wills, Martin","Increasing the versatility of the biphenyl-fused-dioxacyclodecyne class of strained alkynes.","Organic & biomolecular chemistry","2024","22","3","590","605","10.1039/d3ob01712e","","x-ray","1.54184","CuKα","","0.0521","0.0459","","","0.1236","0.14","","","","","","1.119","","","","has coordinates","289636","2024-02-04","12:30:29",""
"7159714","13.6603","0.0003","11.3987","0.0002","14.7403","0.0003","90","","106.075","0.002","90","","2205.46","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N2 O6 S2 -","- C22 H24 N2 O6 S2 -","- C88 H96 N8 O24 S8 -","4","1","","Forshaw, Sam; Parker, Jeremy S.; Scott, William T.; Knighton, Richard C.; Tiwari, Neelam; Oladeji, Samson M.; Stevens, Andrew C.; Chew, Yean Ming; Reber, Jami; Clarkson, Guy J.; Balasubramanian, Mohan K.; Wills, Martin","Increasing the versatility of the biphenyl-fused-dioxacyclodecyne class of strained alkynes.","Organic & biomolecular chemistry","2024","22","3","590","605","10.1039/d3ob01712e","","x-ray","1.54184","CuKα","","0.0471","0.0407","","","0.1012","0.1049","","","","","","1.075","","","","has coordinates","289636","2024-02-04","12:30:29",""
"7159715","10.9621","0.0001","17.2319","0.0002","17.631","0.0002","90.89","0.001","108.06","0.001","105.668","0.001","3030.75","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 N2 O6 S2 -","- C34 H32 N2 O6 S2 -","- C136 H128 N8 O24 S8 -","4","2","","Forshaw, Sam; Parker, Jeremy S.; Scott, William T.; Knighton, Richard C.; Tiwari, Neelam; Oladeji, Samson M.; Stevens, Andrew C.; Chew, Yean Ming; Reber, Jami; Clarkson, Guy J.; Balasubramanian, Mohan K.; Wills, Martin","Increasing the versatility of the biphenyl-fused-dioxacyclodecyne class of strained alkynes.","Organic & biomolecular chemistry","2024","22","3","590","605","10.1039/d3ob01712e","","x-ray","1.54184","CuKα","","0.0364","0.0333","","","0.0894","0.0921","","","","","","1.02","","","","has coordinates","289636","2024-02-04","12:30:29",""
"7159716","22.29","0.002","11.2327","0.0011","22.56","0.002","90","","108.847","0.003","90","","5345.7","0.9","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H29 N3 O3 S -","- C29 H29 N3 O3 S -","- C232 H232 N24 O24 S8 -","8","2","","Shit, Sudip; Choudhury, Chinmayee; Saikia, Anil K.","Nitrile stabilized synthesis of pyrrolidine and piperidine derivatives <i>via</i> tandem alkynyl aza-Prins-Ritter reactions.","Organic & biomolecular chemistry","2024","22","3","568","578","10.1039/d3ob01764h","","","0.71073","MoKα","","0.1221","0.0701","","","0.1815","0.2074","","","","","","1.016","","","","has coordinates","289633","2024-02-04","12:30:07",""
"7159717","13.5552","0.0004","7.1623","0.0003","23.1013","0.0008","90","","90","","90","","2242.82","0.14","298.98","","298.98","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C11 H16 O3 -","- C11 H16 O3 -","- C88 H128 O24 -","8","1","","Hussain, Akram; Sravanthi, Revoju; Katta, Sunitha; Ramachary, Dhevalapally B.","Two-step, high-yielding total synthesis of antibiotic pyrones.","Organic & biomolecular chemistry","2024","22","3","554","560","10.1039/d3ob01923c","","x-ray","0.71073","MoKα","","0.1525","0.0542","","","0.1149","0.2085","","","","","","1.151","","","","has coordinates","289631","2024-02-04","12:29:53",""
"7159718","5.2134","0.0006","9.7698","0.001","15.9903","0.0012","96.982","0.007","91.685","0.008","96.327","0.009","802.73","0.14","297.6","","297.6","","","","","","","","","3","P 1","P 1","1","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C30 H48 O6 -","2","2","","Hussain, Akram; Sravanthi, Revoju; Katta, Sunitha; Ramachary, Dhevalapally B.","Two-step, high-yielding total synthesis of antibiotic pyrones.","Organic & biomolecular chemistry","2024","22","3","554","560","10.1039/d3ob01923c","","x-ray","0.71073","MoKα","","0.2517","0.0827","","","0.1546","0.2148","","","","","","0.87","","","","has coordinates","289631","2024-02-04","12:29:53",""
"7159719","9.156","0.0002","10.2227","0.0002","17.7959","0.0004","81.85","0.002","88.334","0.002","87.904","0.002","1647.27","0.06","298.3","","298.3","","","","","","","","","3","P -1","-P 1","2","","","","- C16 H26 O3 -","- C16 H26 O3 -","- C64 H104 O12 -","4","2","","Hussain, Akram; Sravanthi, Revoju; Katta, Sunitha; Ramachary, Dhevalapally B.","Two-step, high-yielding total synthesis of antibiotic pyrones.","Organic & biomolecular chemistry","2024","22","3","554","560","10.1039/d3ob01923c","","x-ray","0.71073","MoKα","","0.1599","0.0884","","","0.2591","0.3129","","","","","","1.051","","","","has coordinates","296876","2024-12-16","17:34:44",""
"7159720","8.6562","0.0003","7.0369","0.0002","9.8957","0.0003","90","","97.796","0.001","90","","597.2","0.03","170","2","170","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C13 H16 O Si -","- C13 H16 O Si -","- C26 H32 O2 Si2 -","2","0.5","","Zhang, Tao; Zhang, Cheng; Lu, Xiunan; Peng, Chengxing; Zhang, Yawei; Zhu, Xiong; Zhong, Guofu; Zhang, Jian","Synthesis of silyl indenes by ruthenium-catalyzed aldehyde- and acylsilane-enabled C-H alkylation/cyclization.","Organic & biomolecular chemistry","2024","22","3","466","471","10.1039/d3ob01699d","","","0.71073","MoKα","","0.0362","0.0338","","","0.0924","0.0947","","","","","","1.069","","","","has coordinates,has disorder","289635","2024-02-04","12:30:20",""
"7159721","5.7326","0.0005","16.7916","0.0019","14.3441","0.0012","90","","92.205","0.009","90","","1379.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Cl2 O S -","- C14 H12 Cl2 O S -","- C56 H48 Cl8 O4 S4 -","4","1","","Kumar, Saurabh; Chand, Shiv; Singh, Krishna Nand","Electro-oxidative coupling of Bunte salts with aryldiazonium tetrafluoroborates: a benign access to unsymmetrical sulfoxides.","Organic & biomolecular chemistry","2024","22","4","850","856","10.1039/d3ob01955a","","x-ray","1.54184","CuKα","","0.1063","0.0749","","","0.1896","0.2285","","","","","","1.0169","","","","has coordinates","289624","2024-02-04","12:29:02",""
"7159722","5.1341","0.0001","8.4181","0.0002","13.3376","0.0003","90","","93.235","0.001","90","","575.52","0.02","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H15 N3 O7 -","- C9 H15 N3 O7 -","- C18 H30 N6 O14 -","2","1","","Persaud, Kevin E.; Sahu, Rajesh R.; Neary, Michelle C.; Kapdi, Anant R.; Lakshman, Mahesh K.","Two short approaches to the COVID-19 drug β-D-<i>N</i><sup>4</sup>-hydroxycytidine and its prodrug molnupiravir.","Organic & biomolecular chemistry","2024","22","4","735","740","10.1039/d3ob02039h","","","1.54178","CuKα","","0.0288","0.0281","","","0.0745","0.0747","","","","","","1.051","","","","has coordinates","289620","2024-02-04","12:28:23",""
"7159723","8.1168","0.0014","17.929","0.003","16.686","0.003","90","","94.685","0.006","90","","2420.1","0.7","273","2","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 N O4 S -","- C30 H25 N O4 S -","- C120 H100 N4 O16 S4 -","4","1","","Jain, Anshul; Kumari, Akanksha; Metre, Ramesh K.; Rana, Nirmal K.","Diastereoselective synthesis of <i>trans</i>-2,3-dihydroindoles <i>via</i> formal [4 + 1] annulation reactions of a sulfonium ylide.","Organic & biomolecular chemistry","2024","22","3","621","632","10.1039/d3ob01793a","","","0.71073","MoKα","","0.0527","0.0444","","","0.1426","0.1522","","","","","","1.188","","","","has coordinates","289634","2024-02-04","12:30:12",""
"7159724","9.1263","0.0001","10.1687","0.0002","19.2429","0.0003","90","","98.907","0.0005","90","","1764.26","0.05","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 O -","- C22 H18 N2 O -","- C88 H72 N8 O4 -","4","1","","Sudarshana, K. A.; Sarma, Manas Jyoti; Radhakrishnan, Mydhili; Chakravarty, Sumana; Srihari, Pabbaraja; Mehta, Goverdhan","A protocol for directly accessing geminal C-4 diarylated pyrazol-5(4<i>H</i>)-ones <i>via</i> tandem C-H aryne insertion and their inceptive neurobiological evaluation.","Organic & biomolecular chemistry","2024","22","4","714","719","10.1039/d3ob01932b","","","0.71073","MoKα","","0.0833","0.0491","","","0.1127","0.1301","","","","","","1.053","","","","has coordinates","289625","2024-02-04","12:29:09",""
"7159725","6.2516","0.0002","12.1242","0.0004","19.5002","0.0007","90","","91.0124","0.0009","90","","1477.8","0.09","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H11 F3 N2 O -","- C16 H11 F3 N2 O -","- C64 H44 F12 N8 O4 -","4","2","","Sudarshana, K. A.; Sarma, Manas Jyoti; Radhakrishnan, Mydhili; Chakravarty, Sumana; Srihari, Pabbaraja; Mehta, Goverdhan","A protocol for directly accessing geminal C-4 diarylated pyrazol-5(4<i>H</i>)-ones <i>via</i> tandem C-H aryne insertion and their inceptive neurobiological evaluation.","Organic & biomolecular chemistry","2024","22","4","714","719","10.1039/d3ob01932b","","","0.71073","MoKα","","0.1941","0.0743","","","0.1227","0.1574","","","","","","1.044","","","","has coordinates,has disorder","289625","2024-02-04","12:29:09",""
"7159726","13.9291","0.0003","8.5789","0.0002","15.4251","0.0003","90","","108.462","0.0008","90","","1748.38","0.07","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 O -","- C22 H18 N2 O -","- C88 H72 N8 O4 -","4","1","","Sudarshana, K. A.; Sarma, Manas Jyoti; Radhakrishnan, Mydhili; Chakravarty, Sumana; Srihari, Pabbaraja; Mehta, Goverdhan","A protocol for directly accessing geminal C-4 diarylated pyrazol-5(4<i>H</i>)-ones <i>via</i> tandem C-H aryne insertion and their inceptive neurobiological evaluation.","Organic & biomolecular chemistry","2024","22","4","714","719","10.1039/d3ob01932b","","","0.71073","MoKα","","0.1291","0.0598","","","0.1268","0.1561","","","","","","1.009","","","","has coordinates","289625","2024-02-04","12:29:09",""
"7159727","7.5355","0.0003","7.5626","0.0002","11.2958","0.0003","90","","103.257","0.003","90","","626.57","0.04","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H18 O4 -","- C13 H18 O4 -","- C26 H36 O8 -","2","1","","Fernandes, Rodney A.; Ranjan, Ravikant S.","Diastereoselective allylation-based asymmetric total synthesis of 1,10-<i>seco</i>-guaianolides.","Organic & biomolecular chemistry","2024","22","4","811","822","10.1039/d3ob02013d","","x-ray","0.71073","MoKα","","0.0525","0.0493","","","0.1294","0.1341","","","","","","1.049","","","","has coordinates","289622","2024-02-04","12:28:43",""
"7159728","5.1299","0.0004","14.7848","0.001","9.1241","0.0006","90","","90.366","0.007","90","","692","0.08","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H16 O4 -","- C17 H16 O4 -","- C34 H32 O8 -","2","1","","Fernandes, Rodney A.; Ranjan, Ravikant S.","Diastereoselective allylation-based asymmetric total synthesis of 1,10-<i>seco</i>-guaianolides.","Organic & biomolecular chemistry","2024","22","4","811","822","10.1039/d3ob02013d","","x-ray","0.71073","MoKα","","0.0482","0.0436","","","0.1038","0.1073","","","","","","1.054","","","","has coordinates","289622","2024-02-04","12:28:43",""
"7159729","8.5447","0.0004","10.2606","0.0005","12.5052","0.0005","90","","90","","90","","1096.38","0.09","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O4 S -","- C11 H12 O4 S -","- C44 H48 O16 S4 -","4","1","","Fernandes, Rodney A.; Ranjan, Ravikant S.","Diastereoselective allylation-based asymmetric total synthesis of 1,10-<i>seco</i>-guaianolides.","Organic & biomolecular chemistry","2024","22","4","811","822","10.1039/d3ob02013d","","x-ray","0.71073","MoKα","","0.0552","0.0405","","","0.0874","0.0998","","","","","","0.966","","","","has coordinates","289622","2024-02-04","12:28:43",""
"7159730","23.6044","0.0008","23.6044","0.0008","8.2487","0.0005","90","","90","","90","","4595.9","0.4","93.15","","93.15","","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C32 H22 N2 O -","- C32 H22 N2 O -","- C256 H176 N16 O8 -","8","1","","Nakayama, Taku; Fujiki, Sayaka; Enda, Tomokatsu; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","A sequential reaction of picolinamide with benzaldehydes promoted by Pd(TFA)<sub>2</sub>: rapid access to 4,5-disubstituted 2-(pyridin-2-yl)oxazoles in <i>n</i>-octane.","Organic & biomolecular chemistry","2024","22","4","759","766","10.1039/d3ob01815f","","x-ray","0.71073","MoKα","","0.0973","0.0589","","","0.109","0.1203","","","","","","1.036","","","","has coordinates","289627","2024-02-04","12:29:28",""
"7159731","19.4774","0.0017","12.0444","0.0011","16.5411","0.0015","90","","106.097","0.003","90","","3728.3","0.6","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H28 F6 N6 -","- C46 H28 F6 N6 -","- C184 H112 F24 N24 -","4","1","","Shahid, M.; Muthuraja, Perumal; Gopinath, Purushothaman","Substituent-controlled regioselective arylation of carbazoles using dual catalysis.","Organic & biomolecular chemistry","2024","22","4","753","758","10.1039/d3ob01827j","","","0.71073","MoKα","","0.0913","0.0564","","","0.1309","0.1589","","","","","","1.05","","","","has coordinates,has disorder","289626","2024-02-04","12:29:17",""
"7159732","12.1412","0.0011","12.799","0.0009","12.1671","0.0007","90","","115.924","0.003","90","","1700.5","0.2","149","2","149","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2.71 H2 N0.35 O0.12 -","- C2.70588 H2 N0.352941 O0.117647 -","- C92 H68 N12 O4 -","34","8.5","","Shahid, M.; Muthuraja, Perumal; Gopinath, Purushothaman","Substituent-controlled regioselective arylation of carbazoles using dual catalysis.","Organic & biomolecular chemistry","2024","22","4","753","758","10.1039/d3ob01827j","","","0.71073","MoKα","","0.0527","0.0451","","","0.1127","0.1206","","","","","","1.072","","","","has coordinates","289626","2024-02-04","12:29:17",""
"7159733","12.7425","0.001","13.5862","0.0011","10.3411","0.0007","90","","97.302","0.002","90","","1775.8","0.2","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N3 O2 -","- C24 H17 N3 O2 -","- C96 H68 N12 O8 -","4","1","","Shahid, M.; Muthuraja, Perumal; Gopinath, Purushothaman","Substituent-controlled regioselective arylation of carbazoles using dual catalysis.","Organic & biomolecular chemistry","2024","22","4","753","758","10.1039/d3ob01827j","","","0.71073","MoKα","","0.0548","0.0358","","","0.0786","0.0908","","","","","","1.057","","","","has coordinates","289626","2024-02-04","12:29:17",""
"7159734","7.3575","0.0005","19.315","0.0015","12.3105","0.0009","90","","97.192","0.002","90","","1735.7","0.2","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N3 O -","- C23 H17 N3 O -","- C92 H68 N12 O4 -","4","1","","Shahid, M.; Muthuraja, Perumal; Gopinath, Purushothaman","Substituent-controlled regioselective arylation of carbazoles using dual catalysis.","Organic & biomolecular chemistry","2024","22","4","753","758","10.1039/d3ob01827j","","","0.71073","MoKα","","0.049","0.0369","","","0.093","0.1008","","","","","","1.02","","","","has coordinates","289626","2024-02-04","12:29:17",""
"7159735","19.9358","0.0004","15.8356","0.0003","15.2943","0.0003","90","","90","","90","","4828.34","0.16","180","","180","","","","","","","","","5","P b c n","-P 2n 2ab","60","Benzenemethanaminium, N,N,N-trimethyl-, (TB-5-11)-difluorotriphenylsilicate(1-)","Benzyltrimethylammonium difluorotriphenylsilicate","","- C28 H31 F2 N Si -","- C28 H31 F2 N Si -","- C224 H248 F16 N8 Si8 -","8","1","","Trojan, Michal; Kučnirová, Kateřina; Bouzková, Šárka; Cvačka, Josef; Čejka, Jan; Tavčar, Gašper; Rybáčková, Markéta; Kvíčala, Jaroslav","Quaternary ammonium fluorides and difluorosilicates as nucleophilic fluorination reagents.","Organic & biomolecular chemistry","2024","22","5","1047","1056","10.1039/d3ob01875j","","","1.54178","CuKα","","0.0484","0.0389","","0.1095","0.0943","0.1095","","","","","","0.9978","","","","has coordinates","289614","2024-02-04","12:27:26",""
"7159736","6.8063","0.0009","14.985","0.002","17.161","0.003","90","","90","","90","","1750.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N O4 -","- C21 H17 N O4 -","- C84 H68 N4 O16 -","4","1","","Wen, Mengke; Zhang, Mengying; Gu, Fan; Geng, Yuehua; Liu, Xiangyang; Wu, Qingnan; Yang, Xifa","Synthesis of spiropyrans <i>via</i> Ru(II)-catalyzed coupling of 3-aryl-2<i>H</i>-benzo[<i>b</i>][1,4]oxazines with benzoquinones.","Organic & biomolecular chemistry","2024","22","5","998","1009","10.1039/d3ob01971c","","","0.71073","MoKα","","0.1655","0.0759","","","0.1604","0.2049","","","","","","1.038","","","","has coordinates","289616","2024-02-04","12:27:40",""
"7159737","9.6568","0.0006","10.209","0.0006","13.0889","0.0011","87.571","0.006","71.911","0.007","80.248","0.005","1208.81","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 N2 O4 S -","- C22 H20 N2 O4 S -","- C44 H40 N4 O8 S2 -","2","1","","Wen, Mengke; Zhang, Mengying; Gu, Fan; Geng, Yuehua; Liu, Xiangyang; Wu, Qingnan; Yang, Xifa","Synthesis of spiropyrans <i>via</i> Ru(II)-catalyzed coupling of 3-aryl-2<i>H</i>-benzo[<i>b</i>][1,4]oxazines with benzoquinones.","Organic & biomolecular chemistry","2024","22","5","998","1009","10.1039/d3ob01971c","","x-ray","1.54184","CuKα","","0.0795","0.0587","","","0.1734","0.192","","","","","","0.992","","","","has coordinates","289616","2024-02-04","12:27:48",""
"7159738","10.2824","0.0002","9.8025","0.0002","26.573","0.0005","90","","98.437","0.002","90","","2649.39","0.09","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 Br Cl3 N O Ru -","- C25 H25 Br Cl3 N O Ru -","- C100 H100 Br4 Cl12 N4 O4 Ru4 -","4","1","","Wen, Mengke; Zhang, Mengying; Gu, Fan; Geng, Yuehua; Liu, Xiangyang; Wu, Qingnan; Yang, Xifa","Synthesis of spiropyrans <i>via</i> Ru(II)-catalyzed coupling of 3-aryl-2<i>H</i>-benzo[<i>b</i>][1,4]oxazines with benzoquinones.","Organic & biomolecular chemistry","2024","22","5","998","1009","10.1039/d3ob01971c","","x-ray","1.54184","CuKα","","0.0591","0.0478","","","0.1227","0.1332","","","","","","1.057","","","","has coordinates,has disorder","289616","2024-02-04","12:27:49",""
"7159739","9.84","0.002","12.074","0.003","13.093","0.003","102.89","0.007","107.408","0.007","110.2","0.006","1297.2","0.5","302","2","302","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H25 F N2 O Si -","- C32 H25 F N2 O Si -","- C64 H50 F2 N4 O2 Si2 -","2","1","","Das, Krishna Kanta; Hajra, Alakananda","Silylation of 2<i>H</i>-indazoles by photoinduced hydrogen atom transfer catalysis.","Organic & biomolecular chemistry","2024","22","5","1034","1037","10.1039/d3ob01925j","","","0.71073","MoKα","","0.0765","0.0569","","","0.1785","0.2039","","","","","","1.461","","","","has coordinates","289611","2024-02-04","12:27:03",""
"7159740","4.9499","0.0003","13.8952","0.001","20.1686","0.0016","90","","90","","90","","1387.19","0.17","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N2 O2 S2 -","- C13 H14 N2 O2 S2 -","- C52 H56 N8 O8 S8 -","4","1","","Wang, Peifeng; Li, Shan; Wen, Huiling; Lei, Yin; Huang, Shujuan; Wang, Zixiu; Su, Jialong; Guan, Wenxiang; Lei, Jian","Thiosuccinimide enabled S-N bond formation to access <i>N</i>-sulfenylated sulfonamide derivatives with synthetic diversity.","Organic & biomolecular chemistry","2024","22","5","990","997","10.1039/d3ob01848b","","x-ray","1.54184","CuKα","","0.1147","0.1028","","","0.2746","0.2893","","","","","","1.069","","","","has coordinates","289610","2024-02-04","12:26:58",""
"7159741","9.9278","0.0003","16.1864","0.0004","12.2047","0.0003","90","","110.377","0.001","90","","1838.51","0.09","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 F3 N O4 S -","- C19 H18 F3 N O4 S -","- C76 H72 F12 N4 O16 S4 -","4","1","","Gommenginger, Clément; Hourtoule, Maxime; Menghini, Marco; Miesch, Laurence","Metal free regio - and stereoselective semireduction of CF<sub>3</sub>-substituted <i>N</i>-allenamides.","Organic & biomolecular chemistry","2024","22","5","940","944","10.1039/d3ob01859h","","","0.71073","MoKα","","0.0414","0.0379","","","0.1034","0.107","","","","","","1.012","","","","has coordinates","289619","2024-02-04","12:28:18",""
"7159742","12.664","0.006","4.767","0.002","27.831","0.013","90","","103.124","0.011","90","","1636.3","1.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 F6 N3 -","- C17 H11 F6 N3 -","- C68 H44 F24 N12 -","4","1","","Hazarika, Roktopol; Dutta, Sanghamitra; Sarmah, Samprity; Hazarika, Priyanuj Krishnann; Singh, Kuldeep; Kumar, Arvind; Sarma, Bipul; Sarma, Diganta","PCy<sub>3</sub>-assisted Ag(I)-catalyzed click reaction for regioselective synthesis of 1,4-disubstituted 1,2,3-triazoles at room temperature.","Organic & biomolecular chemistry","2024","22","4","694","698","10.1039/d3ob01738a","","","0.71073","MoKα","","0.0762","0.0458","","","0.096","0.11","","","","","","1.003","","","","has coordinates","289623","2024-02-04","12:28:56",""
"7159743","9.262","0.002","9.837","0.002","23.332","0.005","94.658","0.006","96.469","0.006","116.368","0.006","1871.8","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H55 Ag N O3 P2 -","- C36 H55 Ag N O3 P2 -","- C72 H110 Ag2 N2 O6 P4 -","2","1","","Hazarika, Roktopol; Dutta, Sanghamitra; Sarmah, Samprity; Hazarika, Priyanuj Krishnann; Singh, Kuldeep; Kumar, Arvind; Sarma, Bipul; Sarma, Diganta","PCy<sub>3</sub>-assisted Ag(I)-catalyzed click reaction for regioselective synthesis of 1,4-disubstituted 1,2,3-triazoles at room temperature.","Organic & biomolecular chemistry","2024","22","4","694","698","10.1039/d3ob01738a","","","0.71073","MoKα","","0.0705","0.0511","","","0.1284","0.1406","","","","","","1.067","","","","has coordinates,has disorder","289623","2024-02-04","12:28:56",""
"7159744","8.8245","0.0007","12.584","0.001","17.05","0.0014","78.499","0.002","83.899","0.002","89.971","0.002","1844.4","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 Br N3 O2 -","- C23 H16 Br N3 O2 -","- C92 H64 Br4 N12 O8 -","4","2","","Gogoi, Abhijit; Mukhopadhyay, Subhamoy; Chouhan, Raju; Das, Sajal Kumar","Synthesis of benzimidazole-fused 1,4-benzoxazepines and benzosultams spiro-connected to a 2-oxindole core <i>via</i> a tandem epoxide-opening/S<sub>N</sub>Ar approach.","Organic & biomolecular chemistry","2024","22","2","353","363","10.1039/d3ob01613g","","","0.71073","MoKα","","0.054","0.0455","","","0.1079","0.1131","","","","","","1.065","","","","has coordinates","289629","2024-02-04","12:29:41",""
"7159745","11.3157","0.0015","17.7","0.003","12.6167","0.0018","90","","111.045","0.004","90","","2358.4","0.6","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N2 O3.97 S0.98 -","- C28 H22 N2 O3.966 S0.983 -","- C112 H88 N8 O15.864 S3.932 -","4","1","","Gogoi, Abhijit; Mukhopadhyay, Subhamoy; Chouhan, Raju; Das, Sajal Kumar","Synthesis of benzimidazole-fused 1,4-benzoxazepines and benzosultams spiro-connected to a 2-oxindole core <i>via</i> a tandem epoxide-opening/S<sub>N</sub>Ar approach.","Organic & biomolecular chemistry","2024","22","2","353","363","10.1039/d3ob01613g","","x-ray","0.71073","MoKα","","0.1113","0.0485","","","0.1047","0.127","","","","","","0.915","","","","has coordinates,has disorder","289629","2024-02-04","12:29:41",""
"7159746","26.5945","0.0008","6.1407","0.0002","13.3679","0.0004","90","","103.498","0.001","90","","2122.79","0.11","101","","101","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Br N O4 S -","- C22 H24 Br N O4 S -","- C88 H96 Br4 N4 O16 S4 -","4","1","","Li, Ping; Du, Zhongjian; Wu, Baofeng; Zhao, Xin; You, Yang'en","Highly effective and selective FeBr<sub>3</sub>-promoted deuterium bromination/cyclization of 1,<i>n</i>-enynes.","Organic & biomolecular chemistry","2024","22","5","959","964","10.1039/d3ob01778h","","x-ray","1.54178","CuKα","","0.0373","0.037","","","0.0929","0.093","","","","","","1.108","","","","has coordinates","289617","2024-02-04","12:27:58",""
"7159747","24.3597","0.0008","6.0092","0.0002","13.7493","0.0005","90","","97.85","0.002","90","","1993.79","0.12","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 Br2 N O2 S -","- C20 H21 Br2 N O2 S -","- C80 H84 Br8 N4 O8 S4 -","4","1","","Li, Ping; Du, Zhongjian; Wu, Baofeng; Zhao, Xin; You, Yang'en","Highly effective and selective FeBr<sub>3</sub>-promoted deuterium bromination/cyclization of 1,<i>n</i>-enynes.","Organic & biomolecular chemistry","2024","22","5","959","964","10.1039/d3ob01778h","","x-ray","1.54178","CuKα","","0.0294","0.0293","","","0.0734","0.0734","","","","","","1.221","","","","has coordinates","289617","2024-02-04","12:28:06",""
"7159748","5.5266","0.0001","12.2496","0.0003","21.7057","0.0005","90","","90","","90","","1469.45","0.06","169.99","0.1","169.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 N4 O -","- C18 H14 N4 O -","- C72 H56 N16 O4 -","4","1","","Qiu, Kongxi; Wu, Kaifu; Ma, Haowen; Ao, Yunlin; Zhou, Wei; Cai, Qian","A transition-metal-free azide–alkyne cycloaddition/hydroamination cascade reaction for the construction of triazole-fused piperazin-2-ones","Organic & Biomolecular Chemistry","2024","22","6","1176","1180","10.1039/D3OB01999C","","x-ray","1.54184","CuKα","","0.0341","0.0318","","","0.081","0.0828","","","","","","1.032","","","","has coordinates","290259","2024-03-04","20:40:46",""
"7159749","41.29","0.03","8.552","0.007","23.83","0.02","90","","113.027","0.016","90","","7744","11","301","2","301","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H31 Br4 N3 -","- C44 H31 Br4 N3 -","- C352 H248 Br32 N24 -","8","1","","Sharma, Akrti; Kaur, Gurpreet; Ravikanth, Mangalampalli","Synthesis of unsymmetrical 2,3,7,8-tetrabromo <i>meso</i>-5,10,11,16-tetraaryl- triphyrin(2.1.1) and its use in the synthesis of sterically crowded 2,3,5,7,8,10,11,16-octaarylated triphyrin(2.1.1)s.","Organic & biomolecular chemistry","2024","22","4","838","849","10.1039/d3ob01886e","","","0.71073","MoKα","","0.1683","0.0586","","","0.097","0.1273","","","","","","0.994","","","","has coordinates","289621","2024-02-04","12:28:36",""
"7159754","16.5325","0.0005","5.5611","0.0002","19.0631","0.0006","90","","110.6","0.004","90","","1640.58","0.1","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O4 S -","- C19 H18 O4 S -","- C76 H72 O16 S4 -","4","1","","Chang, Meng-Yang; Chen, Pin-Hsien","Synthesis of 4-sulfonyl-1,7-diesters <i>via</i> K<sub>2</sub>CO<sub>3</sub>-mediated alkylative debenzoylation of α-sulfonyl <i>o</i>-hydroxyacetophenones with acrylates.","Organic & biomolecular chemistry","2024","22","6","1194","1204","10.1039/d3ob01703f","","x-ray","0.71073","MoKα","","0.0507","0.039","","","0.0973","0.1031","","","","","","1.057","","","","has coordinates","290264","2024-03-04","20:41:48",""
"7159755","6.3968","0.0005","15.9612","0.0014","4.3338","0.0004","90","","100.453","0.003","90","","435.14","0.07","100","2","100","2","","","","","","","","3","C 1 m 1","C -2y","8","","","","- C5 H5 O2 -","- C5 H5 O2 -","- C20 H20 O8 -","4","1","","Darole, Ratanamala S.; Choudhary, Shailendra Singh; Sharma, Himanshu; Mali, Bhupendra P.; Gopu, Booblan; Vanka, Kumar; Senthilkumar, Beeran","Brønsted acid- and Ni(II)-catalyzed C-H oxidation/rearrangement of cyclotriveratrylenes (CTVs) to cyclic and acyclic quinones as potential anti-cancer agents.","Organic & biomolecular chemistry","2024","22","5","1038","1046","10.1039/d3ob01428b","","","0.71073","MoKα","","0.035","0.0306","","","0.082","0.0858","","","","","","1.101","","","","has coordinates","289613","2024-02-04","12:27:19",""
"7159756","8.6985","0.0011","9.1415","0.001","32.062","0.004","90","","94.221","0.005","90","","2542.6","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 Br O10 -","- C28 H29 Br O10 -","- C112 H116 Br4 O40 -","4","1","","Darole, Ratanamala S.; Choudhary, Shailendra Singh; Sharma, Himanshu; Mali, Bhupendra P.; Gopu, Booblan; Vanka, Kumar; Senthilkumar, Beeran","Brønsted acid- and Ni(II)-catalyzed C-H oxidation/rearrangement of cyclotriveratrylenes (CTVs) to cyclic and acyclic quinones as potential anti-cancer agents.","Organic & biomolecular chemistry","2024","22","5","1038","1046","10.1039/d3ob01428b","","","0.71073","MoKα","","0.0743","0.0657","","","0.1458","0.1498","","","","","","1.13","","","","has coordinates","289613","2024-02-04","12:27:20",""
"7159757","12.153","0.002","12.656","0.002","16.822","0.003","103.366","0.006","102.402","0.006","90.075","0.006","2455","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H30 O10 -","- C28 H30 O10 -","- C112 H120 O40 -","4","2","","Darole, Ratanamala S.; Choudhary, Shailendra Singh; Sharma, Himanshu; Mali, Bhupendra P.; Gopu, Booblan; Vanka, Kumar; Senthilkumar, Beeran","Brønsted acid- and Ni(II)-catalyzed C-H oxidation/rearrangement of cyclotriveratrylenes (CTVs) to cyclic and acyclic quinones as potential anti-cancer agents.","Organic & biomolecular chemistry","2024","22","5","1038","1046","10.1039/d3ob01428b","","","0.71073","MoKα","","0.1088","0.0974","","","0.2482","0.2579","","","","","","1.061","","","","has coordinates","296876","2024-12-16","17:34:44",""
"7159758","10.229","0.002","12.381","0.003","20.06","0.004","90","","98.934","0.007","90","","2509.7","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2.24 H2.4 N0 O0.88 -","- C2.24 H2.4 O0.88 -","- C112 H120 O44 -","50","12.5","","Darole, Ratanamala S.; Choudhary, Shailendra Singh; Sharma, Himanshu; Mali, Bhupendra P.; Gopu, Booblan; Vanka, Kumar; Senthilkumar, Beeran","Brønsted acid- and Ni(II)-catalyzed C-H oxidation/rearrangement of cyclotriveratrylenes (CTVs) to cyclic and acyclic quinones as potential anti-cancer agents.","Organic & biomolecular chemistry","2024","22","5","1038","1046","10.1039/d3ob01428b","","","0.71073","MoKα","","0.04","0.0361","","","0.0977","0.1011","","","","","","1.043","","","","has coordinates","289613","2024-02-04","12:27:20",""
"7159759","4.3756","0.0004","10.0848","0.0009","14.3422","0.0012","90","","98.393","0.008","90","","626.1","0.1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","11-methylbenzo[a]phenazine","","- C17 H12 N2 -","- C17 H12 N2 -","- C34 H24 N4 -","2","1","","Le, Duc Long; Nguyen, Le Anh; Vo, Ngoc Binh; Nguyen, Thi Thu Tram; Ngo, Quoc Anh; Retailleau, Pascal; Nguyen, Thanh Binh","Sodium sulfide-promoted regiodefined redox condensation of o-nitroanilines with aryl ketones to benzo[a]phenazines and quinoxalines","Organic & Biomolecular Chemistry","2024","22","6","1167","1171","10.1039/D3OB02028B","","x-ray","0.71073","MoKα","","0.0662","0.0373","","","0.0967","0.1122","","","","","","1.01","","","","has coordinates,has disorder","290266","2024-03-04","20:42:08",""
"7159760","16.013","0.002","4.6349","0.0007","16.5622","0.0019","90","","96.23","0.013","90","","1222","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","9-bromobenzo[a]phenazine","","- C16 H9 Br N2 -","- C16 H9 Br N2 -","- C64 H36 Br4 N8 -","4","1","","Le, Duc Long; Nguyen, Le Anh; Vo, Ngoc Binh; Nguyen, Thi Thu Tram; Ngo, Quoc Anh; Retailleau, Pascal; Nguyen, Thanh Binh","Sodium sulfide-promoted regiodefined redox condensation of o-nitroanilines with aryl ketones to benzo[a]phenazines and quinoxalines","Organic & Biomolecular Chemistry","2024","22","6","1167","1171","10.1039/D3OB02028B","","x-ray","0.71073","MoKα","","0.0882","0.0723","","","0.1744","0.1919","","","","","","1.109","","","","has coordinates","290266","2024-03-04","20:42:09",""
"7159761","9.5508","0.0006","4.7677","0.0003","12.4996","0.0009","90","","103.508","0.007","90","","553.43","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6-chloro-2-phenylquinoxaline","","- C14 H9 Cl N2 -","- C14 H9 Cl N2 -","- C28 H18 Cl2 N4 -","2","1","","Le, Duc Long; Nguyen, Le Anh; Vo, Ngoc Binh; Nguyen, Thi Thu Tram; Ngo, Quoc Anh; Retailleau, Pascal; Nguyen, Thanh Binh","Sodium sulfide-promoted regiodefined redox condensation of o-nitroanilines with aryl ketones to benzo[a]phenazines and quinoxalines","Organic & Biomolecular Chemistry","2024","22","6","1167","1171","10.1039/D3OB02028B","","x-ray","0.71073","MoKα","","0.0427","0.0295","","","0.0539","0.0573","","","","","","1.1208","","","","has coordinates","290266","2024-03-04","20:42:09",""
"7159762","9.6512","0.0005","4.9125","0.0002","12.4349","0.0009","90","","104.633","0.006","90","","570.43","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H9 Br N2 -","- C14 H9 Br N2 -","- C28 H18 Br2 N4 -","2","1","","Le, Duc Long; Nguyen, Le Anh; Vo, Ngoc Binh; Nguyen, Thi Thu Tram; Ngo, Quoc Anh; Retailleau, Pascal; Nguyen, Thanh Binh","Sodium sulfide-promoted regiodefined redox condensation of o-nitroanilines with aryl ketones to benzo[a]phenazines and quinoxalines","Organic & Biomolecular Chemistry","2024","22","6","1167","1171","10.1039/D3OB02028B","","x-ray","0.71073","MoKα","","0.0338","0.024","","","0.04","0.0419","","","","","","1.0575","","","","has coordinates","290266","2024-03-04","20:42:09",""
"7159763","7.3206","0.0004","9.0166","0.0004","16.8696","0.0008","90","","97.364","0.005","90","","1104.33","0.09","293","2","293","2","","","","","","","synthesized","5","P 1 21 1","P 2yb","4","","","","- C24 H29 N O2 S -","- C24 H29 N O2 S -","- C48 H58 N2 O4 S2 -","2","1","","Antony Haritha Mercy, A.; Padma Priya, V. R.; Hariprasad, R.; Gayathri, K.; Ravindra, S.; Chandra Nandi, Ganesh; Kataria, Ramesh","Facile synthesis of <i>N</i>-(α-furanyl) alkyl sulfoximines <i>via</i> gold catalyzed Michael addition/cyclization of enynones and sulfoximines.","Organic & biomolecular chemistry","2024","22","5","945","949","10.1039/d3ob01631e","","x-ray","0.71073","MoKα","","0.0615","0.0426","","","0.0869","0.0956","","","","","","0.961","","","","has coordinates","289618","2024-02-04","12:28:12",""
"7159764","9.6137","0.0019","18.354","0.003","18.491","0.003","61.325","0.017","89.722","0.015","89.85","0.015","2862.5","1","293","","293","","","","","","","","","5","P -1","-P 1","2","","C34H28BrN3O2","","- C34 H28 Br N3 O2 -","- C34 H28 Br N3 O2 -","- C136 H112 Br4 N12 O8 -","4","2","","Dalal, Arup; Bodak, Subhankar; Babu, Srinivasarao Arulananda","Picolinamide-assisted ortho-C–H functionalization of pyrenylglycine derivatives using aryl iodides","Organic & Biomolecular Chemistry","2024","22","6","1279","1298","10.1039/D3OB01731A","","x-ray","0.71073","MoKα","","0.1263","0.0597","","","0.1582","0.2088","","","","","","1","","","","has coordinates","290265","2024-03-04","20:41:53",""
"7159765","10.982","0.002","15.999","0.003","21.423","0.004","90","0.03","90","0.03","90","0.03","3764","1.2","300","2","300","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H50 B O4 P -","- C44 H50 B O4 P -","- C176 H200 B4 O16 P4 -","4","1","","Dai, Zhenyun; Xu, Chenyong; Tian, Rongqiang; Duan, Zheng","Towards tetrasubstituted furans through rearrangement and cyclodimerization of acetylenic ketones","Organic & Biomolecular Chemistry","2024","22","6","1172","1175","10.1039/D3OB02036C","","","0.71073","MoKα","","0.0666","0.0466","","","0.1069","0.1184","","","","","","1.0453","","","","has coordinates","290262","2024-03-04","20:41:34",""
"7159766","20.6011","0.0003","21.488","0.0004","16.3102","0.0003","90","","105.866","0.001","90","","6945.1","0.2","299","2","299","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H62 Cl2 Cu2 O4 P2 -","- C84 H62 Cl2 Cu2 O4 P2 -","- C336 H248 Cl8 Cu8 O16 P8 -","4","1","","Dai, Zhenyun; Xu, Chenyong; Tian, Rongqiang; Duan, Zheng","Towards tetrasubstituted furans through rearrangement and cyclodimerization of acetylenic ketones","Organic & Biomolecular Chemistry","2024","22","6","1172","1175","10.1039/D3OB02036C","","","0.71073","MoKα","","0.0482","0.0392","","","0.1331","0.1448","","","","","","1.036","","","","has coordinates","290262","2024-03-04","20:41:34",""
"7159767","7.6579","0.001","13.884","0.0019","14.998","0.002","87.216","0.003","89.61","0.004","83.982","0.003","1584","0.4","297","2","297","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H14 O2 S2 -","- C19 H14 O2 S2 -","- C76 H56 O8 S8 -","4","2","","Ali, Ahmad; Faraz, Simra; Khan, Abu Taleb","l-Proline-catalysed synthesis of 2-aryl-2H,5H-thiopyrano[2,3-b] thiochromen-5-ones from 4-hydroxydithiocoumarins and cinnamaldehyde derivatives","Organic & Biomolecular Chemistry","2024","22","7","1426","1433","10.1039/D3OB02051G","","x-ray","0.71073","MoKα","","0.0513","0.0426","","","0.1016","0.1087","","","","","","1.045","","","","has coordinates","296876","2024-12-16","17:34:44",""
"7159768","39.383","0.003","6.2918","0.0005","17.9687","0.0014","90","","107.702","0.004","90","","4241.6","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2-(3-morpholino-2,2-diphenyl-2,3-dihydrobenzol[b][1,4]dioxin-6-yl)ethan-1-ol","","","- C26 H27 N O4 -","- C26 H27 N O4 -","- C208 H216 N8 O32 -","8","1","","Neudorffer, Anne; Deschamps, Patrick; Largeron, Martine; Deguin, Brigitte","An electrochemical access to 2-amino-2,3-dihydro-1,4-benzodioxanes derived from hydroxytyrosol.","Organic & biomolecular chemistry","2024","22","5","1057","1063","10.1039/d3ob01858j","","","0.71073","MoKα","","0.2139","0.1204","","","0.254","0.2906","","","","","","1.04","","","","has coordinates,has disorder","289615","2024-02-04","12:27:32",""
"7159769","6.0428","0.0011","20.506","0.004","9.995","0.002","90","","106.928","0.006","90","","1184.9","0.4","273","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","Arumugam, Ajithkumar; Senadi, Gopal Chandru","Visible-light photocatalyzed C–N bond activation of tertiary amines: a three-component approach to synthesize quinazolines","Organic & Biomolecular Chemistry","2024","22","6","1245","1253","10.1039/D3OB02067C","","","0.71073","MoKα","","0.0465","0.0401","","","0.0968","0.1009","","","","","","1.0588","","","","has coordinates","290260","2024-03-04","20:40:56",""
"7159770","5.7333","0.0003","15.4063","0.0008","16.4742","0.0009","90","","93.99","0.002","90","","1451.62","0.13","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Br O4 -","- C15 H15 Br O4 -","- C60 H60 Br4 O16 -","4","1","","Jamis-Oliva, Omar; López, Roger; Galdámez, Antonio; Gallardo-Fuentes, Sebastián; Vilches-Herrera, Marcelo","Non-covalent interactions in the diastereoselective synthesis of cis-2,3-dihydrobenzofurans: experimental and computational studies","Organic & Biomolecular Chemistry","2024","22","7","1441","1446","10.1039/D3OB02070C","","","0.71073","MoKα","","0.2107","0.0688","","","0.1209","0.1577","","","","","","1.005","","","","has coordinates","290271","2024-03-04","20:42:55",""
"7159771","20.022","0.0003","11.6268","0.0002","22.3898","0.0003","90","","107.063","0.001","90","","4982.74","0.13","173","2","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H23 N3 O2 S3 -","- C26 H23 N3 O2 S3 -","- C208 H184 N24 O16 S24 -","8","1","","Qin, Hong; Chen, Feng; Du, Jinze; Yang, Xiaobing; Huang, Yiping; Zhu, Kai; Yue, Changhai; Fang, Zheng; Guo, Kai","Thiocyanate promoted difunctionalization and cyclization of unsaturated C–C bonds to construct 1-sulfur-2-nitrogen-functionalized alkenes and 2-thiocyanate indolines","Organic & Biomolecular Chemistry","2024","22","6","1213","1218","10.1039/D3OB01864D","","","1.34139","GaKα","","0.0386","0.0334","","","0.0809","0.0845","","","","","","1.031","","","","has coordinates","290263","2024-03-04","20:41:41",""
"7159772","13.7697","0.0004","15.4363","0.0005","14.6704","0.0005","90","","96.138","0.003","90","","3100.36","0.17","150","0.1","150","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 -","- C42 H34 -","- C168 H136 -","4","1","","Agrawal, Abhijeet R.; Shiouki, Israa; Deree, Yinon; Bogoslavsky, Benny; Gidron, Ori","Controlling helicene's pitch by molecular tethering","Organic & Biomolecular Chemistry","2024","22","7","1365","1368","10.1039/D3OB02075D","","x-ray","0.71073","MoKα","","0.0956","0.063","","","0.1677","0.184","","","","","","1.056","","","","has coordinates,has disorder","290267","2024-03-04","20:42:26",""
"7159773","11.2461","0.0003","11.4386","0.0004","15.5025","0.0005","92.762","0.003","99.839","0.003","103.088","0.003","1906","0.11","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C46.67 H40 Cl2 O2 -","- C46.6667 H40 Cl2 O2 -","- C93.3334 H80 Cl4 O4 -","2","1","","Agrawal, Abhijeet R.; Shiouki, Israa; Deree, Yinon; Bogoslavsky, Benny; Gidron, Ori","Controlling helicene's pitch by molecular tethering","Organic & Biomolecular Chemistry","2024","22","7","1365","1368","10.1039/D3OB02075D","","x-ray","0.71073","MoKα","","0.0897","0.0667","","","0.1694","0.181","","","","","","1.052","","","","has coordinates,has disorder","290267","2024-03-04","20:42:26",""
"7159774","17.9449","0.0007","9.9148","0.0004","22.899","0.0009","90","","103.799","0.004","90","","3956.6","0.3","149.99","0.1","149.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48.5 H44 O2.25 -","- C48.5 H44 O2.25 -","- C194 H176 O9 -","4","1","","Agrawal, Abhijeet R.; Shiouki, Israa; Deree, Yinon; Bogoslavsky, Benny; Gidron, Ori","Controlling helicene's pitch by molecular tethering","Organic & Biomolecular Chemistry","2024","22","7","1365","1368","10.1039/D3OB02075D","","x-ray","0.71073","MoKα","","0.1273","0.0791","","","0.2177","0.2474","","","","","","1.002","","","","has coordinates,has disorder","290267","2024-03-04","20:42:26",""
"7159775","12.9798","0.0005","8.3982","0.0003","18.9108","0.0008","90","","104.113","0.0019","90","","1999.19","0.14","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 Br Cl N2 O2 -","- C23 H18 Br Cl N2 O2 -","- C92 H72 Br4 Cl4 N8 O8 -","4","1","","Shirisha, Thangellapally; Majhi, Subir; Balasubramanian, Sridhar; Kashinath, Dhurke","Metal-free C(sp3)–H functionalization (C–C and C–N bond formation) of 1,2,3,4-tetrahydroacridines using deep eutectic solvents as catalyst and reaction medium","Organic & Biomolecular Chemistry","2024","22","7","1434","1440","10.1039/D3OB01752D","","","0.71073","MoKα","","0.0842","0.0434","","","0.0986","0.1175","","","","","","1.012","","","","has coordinates","290269","2024-03-04","20:42:38",""
"7159776","17.2259","0.0002","19.8037","0.0002","7.8338","0.0001","90","","94.126","0.001","90","","2665.47","0.05","100","0.3","100","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N O6 -","- C27 H24 N O6 -","- C108 H96 N4 O24 -","4","1","","Komogortsev, Andrey N.; Melekhina, Valeriya G.; Lichitskii, Boris V.","Anionic photochemical rearrangement of 3-hydroxypyran-4-ones bearing oxazol-2-one fragment","Organic & Biomolecular Chemistry","2024","22","8","1686","1692","10.1039/D3OB01957H","","x-ray","1.54184","CuKα","","0.0519","0.048","","","0.1347","0.1377","","","","","","1.041","","","","has coordinates","290254","2024-03-04","20:39:51",""
"7159777","14.9897","0.0004","4.8849","0.0001","21.3648","0.0005","90","","107.901","0.003","90","","1488.66","0.07","297.69","0.1","297.69","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 Cl2 N3 O -","- C17 H11 Cl2 N3 O -","- C68 H44 Cl8 N12 O4 -","4","1","","Zhang, Xu; Wei, Meng-Yan; Su, Jun-Cheng; Liang, Cui; Pan, Cheng-Xue; Su, Gui-Fa; Mo, Dong-Liang","Synthesis of 4-(trichloromethyl)pyrido[2′,1′:3,4]pyrazino[2,1-b]quinazolinones through a cyclized dearomatization and trichloromethylation cascade strategy","Organic & Biomolecular Chemistry","2024","22","7","1386","1390","10.1039/D3OB02084C","","x-ray","1.54184","CuKα","","0.0464","0.0365","","","0.0964","0.1003","","","","","","1.061","","","","has coordinates","290270","2024-03-04","20:42:48",""
"7159778","9.7289","0.0007","11.5281","0.0009","13.9318","0.001","90","","90","","90","","1562.5","0.2","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 O4 -","- C20 H16 O4 -","- C80 H64 O16 -","4","1","","Battula, Shravani; Kothuri, Pranay; Bhumannagari, Haripriya; Nayani, Kiranmai","Decarboxylative [3 + 2] cycloaddition of propargyl cyclic carbonates with <i>C</i>,<i>O</i>-bis(nucleophile)s to access dihydrofuro[3,2-<i>c</i>]coumarins and dihydronaphtho[1,2-<i>b</i>]furans with quaternary center.","Organic & biomolecular chemistry","2024","22","8","1671","1675","10.1039/d3ob01893h","","","0.71073","MoKα","","0.0492","0.0391","","","0.1016","0.1088","","","","","","1.045","","","","has coordinates","290253","2024-03-04","20:39:45",""
"7159779","11.15","0.01","12.826","0.011","14.113","0.012","70.08","0.015","84.051","0.016","76.432","0.015","1844","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 F3 N2 O2 -","- C21 H19 F3 N2 O2 -","- C84 H76 F12 N8 O8 -","4","2","","Zhang, Zhongyi; Zhou, Yaqin; Wang, Jiehui; Zhang, Yicheng; Wang, Lei; Liu, Jie; Zhou, Chao; Wang, Min; Li, Pinhua","Radical relay cyclization/C–C bond formation of allyloxy-tethered aryl iodides with quinoxalin-2(1H)-ones via polysulfide anion photocatalysis","Organic & Biomolecular Chemistry","2024","22","8","1708","1713","10.1039/D3OB01978K","","","0.71073","MoKα","","0.1545","0.0841","","","0.1624","0.1917","","","","","","1.053","","","","has coordinates","290256","2024-03-04","20:40:08",""
"7159780","7.7589","0.0004","10.0726","0.0007","18.9645","0.001","90","","95.207","0.005","90","","1476","0.15","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N O3 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","","Chang, Meng-Yang; Lee, Yan-Ling","One-pot synthesis of benzofused 8-oxabicyclo[3.3.1]nonanes <i>via</i> GaCl<sub>3</sub>-mediated cyclocondensation of <i>o</i>-allylbenzaldehydes and 1,3-dicarbonyl synthons.","Organic & biomolecular chemistry","2024","22","8","1646","1653","10.1039/d4ob00016a","","x-ray","0.71073","MoKα","","0.0845","0.0718","","","0.1837","0.1897","","","","","","1.078","","","","has coordinates","290257","2024-03-04","20:40:17",""
"7159781","8.386","0.0002","8.637","0.0002","12.3414","0.0003","103.452","0.002","95.93","0.002","103.91","0.002","831.78","0.04","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C42 H38 N2 O6 -","2","1","","Chang, Meng-Yang; Lee, Yan-Ling","One-pot synthesis of benzofused 8-oxabicyclo[3.3.1]nonanes <i>via</i> GaCl<sub>3</sub>-mediated cyclocondensation of <i>o</i>-allylbenzaldehydes and 1,3-dicarbonyl synthons.","Organic & biomolecular chemistry","2024","22","8","1646","1653","10.1039/d4ob00016a","","x-ray","0.71073","MoKα","","0.05","0.0403","","","0.1022","0.1077","","","","","","1.106","","","","has coordinates","290257","2024-03-04","20:40:17",""
"7159782","36.9306","0.0009","36.9306","0.0009","6.4911","0.0002","90","","90","","120","","7666.9","0.4","130","2","130","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C21 H18 O4 -","- C21 H18 O4 -","- C378 H324 O72 -","18","1","","Chang, Meng-Yang; Lee, Yan-Ling","One-pot synthesis of benzofused 8-oxabicyclo[3.3.1]nonanes <i>via</i> GaCl<sub>3</sub>-mediated cyclocondensation of <i>o</i>-allylbenzaldehydes and 1,3-dicarbonyl synthons.","Organic & biomolecular chemistry","2024","22","8","1646","1653","10.1039/d4ob00016a","","","0.71073","MoKα","","0.055","0.0466","","","0.1242","0.1294","","","","","","1.067","","","","has coordinates","290257","2024-03-04","20:40:17",""
"7159783","8.3756","0.0001","10.9149","0.0002","23.507","0.0004","90","","95.279","0.002","90","","2139.87","0.06","100.15","","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 N2 O6 -","- C26 H20 N2 O6 -","- C104 H80 N8 O24 -","4","1","","Paramonova, Polina; Eliseev, Ilia; Dar'in, Dmitry; Bakulina, Olga","Imines with rare α-heteroatom substituted amine components generated in situ via the Staudinger/aza-Wittig tandem reaction and their application in multicomponent reactions","Organic & Biomolecular Chemistry","2024","22","8","1733","1744","10.1039/D3OB01832F","","","1.54184","CuKα","","0.0534","0.0434","","","0.1147","0.1225","","","","","","1.0576","","","","has coordinates","290255","2024-03-04","20:40:02",""
"7159784","7.0783","0.0007","7.7116","0.0007","10.234","0.001","84.195","0.004","86.746","0.004","82.03","0.003","549.87","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H9 N3 O2 -","- C12 H9 N3 O2 -","- C24 H18 N6 O4 -","2","1","","Chaudhari, Suryakant S.; Nichinde, Chandrakant B.; Patil, Baliram R.; Girase, Amardipsing S.; Rama Krishna, Gamidi; Kinage, Anil K.","Base controlled rongalite-mediated reductive aldol/cyclization and dimerization of isatylidene malononitriles/cyanoacetates","Organic & Biomolecular Chemistry","2024","22","8","1727","1732","10.1039/D3OB01794J","","","0.71073","MoKα","","0.0463","0.0406","","","0.0926","0.0959","","","","","","1.059","","","","has coordinates","290252","2024-03-04","20:39:37",""
"7159785","7.879","0.0003","12.9879","0.0004","25.3279","0.0009","90","","90","","90","","2591.85","0.16","100","2","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C112 H112 N16 O32 -","8","1","","Chaudhari, Suryakant S.; Nichinde, Chandrakant B.; Patil, Baliram R.; Girase, Amardipsing S.; Rama Krishna, Gamidi; Kinage, Anil K.","Base controlled rongalite-mediated reductive aldol/cyclization and dimerization of isatylidene malononitriles/cyanoacetates","Organic & Biomolecular Chemistry","2024","22","8","1727","1732","10.1039/D3OB01794J","","","0.71073","MoKα","","0.047","0.0394","","","0.0979","0.1029","","","","","","1.068","","","","has coordinates","290252","2024-03-04","20:39:38",""
"7159786","17.0247","0.0018","8.9614","0.0011","13.2287","0.0012","90","","90","","90","","2018.2","0.4","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H16 N6 O4 -","- C22 H16 N6 O4 -","- C88 H64 N24 O16 -","4","1","","Chaudhari, Suryakant S.; Nichinde, Chandrakant B.; Patil, Baliram R.; Girase, Amardipsing S.; Rama Krishna, Gamidi; Kinage, Anil K.","Base controlled rongalite-mediated reductive aldol/cyclization and dimerization of isatylidene malononitriles/cyanoacetates","Organic & Biomolecular Chemistry","2024","22","8","1727","1732","10.1039/D3OB01794J","","","0.71073","MoKα","","0.0308","0.03","","","0.0781","0.0789","","","","","","1.043","","","","has coordinates","290252","2024-03-04","20:39:39",""
"7159787","15.4292","0.0012","9.9284","0.0008","17.7983","0.0016","90","","113.305","0.003","90","","2504","0.4","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N6 O5 -","- C28 H26 N6 O5 -","- C112 H104 N24 O20 -","4","1","","Chaudhari, Suryakant S.; Nichinde, Chandrakant B.; Patil, Baliram R.; Girase, Amardipsing S.; Rama Krishna, Gamidi; Kinage, Anil K.","Base controlled rongalite-mediated reductive aldol/cyclization and dimerization of isatylidene malononitriles/cyanoacetates","Organic & Biomolecular Chemistry","2024","22","8","1727","1732","10.1039/D3OB01794J","","","0.71073","MoKα","","0.0496","0.0404","","","0.0996","0.1032","","","","","","1.038","","","","has coordinates","290252","2024-03-04","20:39:39",""
"7159788","12.7714","0.0017","13.5757","0.0017","14.5009","0.0019","100.594","0.004","108.28","0.004","94.426","0.004","2322","0.5","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H46 F6 N12 O6 S -","- C44 H46 F6 N12 O6 S -","- C88 H92 F12 N24 O12 S2 -","2","1","","Senhorães, Nádia R.; Silva, Bruna F.; Sousa, Raquel; Leite, Bruna P.; Gonçalves, Jorge M.; Almeida Paz, Filipe A.; Pereira-Wilson, Cristina; Dias, Alice M.","Synthesis of 6,8-diaminopurines via acid-induced cascade cyclization of 5-aminoimidazole precursors and preliminary anticancer evaluation","Organic & Biomolecular Chemistry","2024","22","7","1500","1513","10.1039/D3OB01985C","","","0.71073","MoKα","","0.1334","0.0857","","","0.224","0.2585","","","","","","1.041","","","","has coordinates","290272","2024-03-04","20:43:01",""
"7159789","10.9241","0.001","18.1857","0.0019","11.7611","0.0013","90","","115.93","0.002","90","","2101.3","0.4","300","","300","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 O3 -","- C27 H22 O3 -","- C108 H88 O12 -","4","1","","Fan, Jian; Zu, Yanhong; Zheng, Zhimin; Song, Lulu; Wang, Yating; Zhou, Zhou; Liu, Yujun; Xu, Shuwen","A silver-mediated radical process of β-keto sulfones for the synthesis of 2,3-diacyl furans","Organic & Biomolecular Chemistry","2024","22","9","1770","1774","10.1039/D3OB02079G","","x-ray","0.71073","MoKα","","0.1124","0.0539","","","0.1039","0.1286","","","","","","1.017","","","","has coordinates","290278","2024-03-04","20:43:47",""
"7159790","8.3993","0.0005","19.2977","0.0009","11.0438","0.0006","90","","107.107","0.006","90","","1710.86","0.17","298","","298","","","","","","","","","4","P -1","-P 1","2","","none","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C76 H64 N8 O16 -","4","2","","Ghatak, Trisha; Shah, Chandan; Althagafi, Ismail; Giri, Nand Gopal; Nath, Mahendra; Pratap, Ramendra","Iodine/DMSO-mediated one-pot access towards 1-aryl-2-(pyrazol-5-yl)ethane-1,2-diones via a domino reaction from functionalized pent-2-ene-1,5-diones","Organic & Biomolecular Chemistry","2024","22","9","1859","1870","10.1039/D3OB01997G","","","0.71073","MoKα","","0.0958","0.0492","","","0.1181","0.1347","","","","","","1.039","","","","has coordinates","290275","2024-03-04","20:43:28",""
"7159791","18.8607","0.0006","10.4771","0.0003","36.3667","0.0011","90","","90.447","0.002","90","","7186","0.4","154.56","","154.56","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58.5 H103 Cl3 N10 O11 -","- C58.5 H103 Cl3 N10 O11 -","- C234 H412 Cl12 N40 O44 -","4","1","","Patel, Alpesh Ramanlal; Lawer, Aggie; Bhadbhade, Mohan; Hunter, Luke","The influence of backbone fluorination on the helicity of α/γ-hybrid peptides","Organic & Biomolecular Chemistry","2024","22","8","1608","1612","10.1039/D3OB02016A","","","0.71073","MoKα","","0.1191","0.0929","","","0.2733","0.3042","","","","","","1.046","","","","has coordinates","290258","2024-03-04","20:40:33",""
"7159792","17.7179","0.0007","17.7179","0.0007","81.727","0.003","90","","90","","90","","25656.1","1.7","152.41","","152.41","","","","","","","","","4","P 43","P 4cw","78","","","","- C56 H97 N9 O12 -","- C56 H97 N9 O12 -","- C896 H1552 N144 O192 -","16","4","","Patel, Alpesh Ramanlal; Lawer, Aggie; Bhadbhade, Mohan; Hunter, Luke","The influence of backbone fluorination on the helicity of α/γ-hybrid peptides","Organic & Biomolecular Chemistry","2024","22","8","1608","1612","10.1039/D3OB02016A","","","0.71073","MoKα","","0.1274","0.0748","","","0.1913","0.2284","","","","","","1.016","","","","has coordinates,has disorder","290258","2024-03-04","20:40:34",""
"7159793","9.42","0.0018","25.033","0.005","7.5118","0.0014","90","","111.342","0.006","90","","1649.9","0.6","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cl2 O2 Se -","- C16 H16 Cl2 O2 Se -","- C64 H64 Cl8 O8 Se4 -","4","1","","Dapkekar, Anil Balajirao; Satyanarayana, Gedu","Electrochemical selenofunctionalization of unactivated alkenes: access to β-hydroxy-selenides","Organic & Biomolecular Chemistry","2024","22","9","1775","1781","10.1039/D4OB00105B","","","0.71073","MoKα","","0.0775","0.0396","","","0.0681","0.0794","","","","","","1.027","","","","has coordinates","290273","2024-03-04","20:43:15",""
"7159794","16.87115","0.00015","14.15084","0.00013","17.71183","0.00018","90","","90.5169","0.0009","90","","4228.37","0.07","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium 2,6-dimethylBis(imino)acenaphthene 18-Crown-6","","- C44 H58 K N2 O8 -","- C44 H58 K N2 O8 -","- C176 H232 K4 N8 O32 -","4","1","","Babaguchi, Kotono; Bedi, Deepika; Chacon-Teran, Miguel A; Findlater, Michael","α-Diimine-mediated C-H functionalization of arenes for aryl-aryl cross-coupling reactions.","Organic & biomolecular chemistry","2024","22","12","2389","2394","10.1039/d3ob01992f","","x-ray","1.54184","CuKα","","0.0502","0.0478","","","0.1262","0.1278","","","","","","1.043","","","","has coordinates","291057","2024-04-05","00:13:01",""
"7159795","9.948","0.0004","13.3446","0.0005","27.6271","0.0009","90","","90","","90","","3667.6","0.2","125","2","125","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","cobaltocenium thiourea hexafluorophosphate","N-Cobaltocenium-N'-phenylthiourea hexafluorophosphate","","- C17 H16 Co F6 N2 P S -","- C17 H16 Co F6 N2 P S -","- C136 H128 Co8 F48 N16 P8 S8 -","8","2","","Blechschmidt, Daniel R.; Mergendahl, Cal; Kass, Steven R.","Metallocenium incorporated charge-enhanced thiourea catalysts","Organic & Biomolecular Chemistry","2024","22","9","1788","1793","10.1039/D3OB02007J","","","0.71073","MoKα","","0.0553","0.0443","","","0.1004","0.1063","","","","","","1.055","","","","has coordinates,has disorder","290277","2024-03-04","20:43:41",""
"7159796","10.2585","0.0001","13.8145","0.0002","10.0402","0.0001","90","","107.368","0.001","90","","1357.99","0.03","293","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cyanodecalin 151","","- C15 H23 N O -","- C15 H23 N O -","- C60 H92 N4 O4 -","4","1","","Fujita, Ryohei; Ooka, Kaito; Wasada, Hiroaki; Ichikawa, Yoshiyasu; Hosokawa, Seijiro","First synthesis of (±)-halichonadins A-D.","Organic & biomolecular chemistry","2024","22","9","1901","1906","10.1039/d4ob00088a","","x-ray","1.54184","CuKα","","0.0392","0.0374","","","0.1033","0.1051","","","","","","1.075","","","","has coordinates","290274","2024-03-04","20:43:23",""
"7159797","9.5724","0.0002","19.816","0.0004","7.5951","0.0001","90","","100.166","0.002","90","","1418.07","0.05","100","0.1","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","halichonadin C","","- C16 H25 N -","- C16 H25 N -","- C64 H100 N4 -","4","1","","Fujita, Ryohei; Ooka, Kaito; Wasada, Hiroaki; Ichikawa, Yoshiyasu; Hosokawa, Seijiro","First synthesis of (±)-halichonadins A-D.","Organic & biomolecular chemistry","2024","22","9","1901","1906","10.1039/d4ob00088a","","x-ray","1.54184","CuKα","","0.0481","0.0429","","","0.1137","0.1179","","","","","","1.064","","","","has coordinates","290274","2024-03-04","20:43:23",""
"7159798","5.8913","0.0001","26.1001","0.0004","9.5853","0.0002","90","","99.765","0.002","90","","1452.52","0.05","100","0.1","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","methyldecalin 197","","- C16 H27 N O -","- C16 H27 N O -","- C64 H108 N4 O4 -","4","1","","Fujita, Ryohei; Ooka, Kaito; Wasada, Hiroaki; Ichikawa, Yoshiyasu; Hosokawa, Seijiro","First synthesis of (±)-halichonadins A-D.","Organic & biomolecular chemistry","2024","22","9","1901","1906","10.1039/d4ob00088a","","x-ray","1.54184","CuKα","","0.0404","0.0379","","","0.0998","0.1021","","","","","","1.061","","","","has coordinates","290274","2024-03-04","20:43:23",""
"7159799","14.834","0.0012","12.7431","0.0009","27.038","0.002","90","","90","","90","","5111","0.7","150","2","150","2","","","","","","","synthesis as described","3","P b c a","-P 2ac 2ab","61","","","","- C29 H32 O8 -","- C29 H32 O8 -","- C232 H256 O64 -","8","1","","Uriac, Philippe; Ferron, Solenn; Jehan, Philippe; Roisnel, Thierry; Tomasi, Sophie","Δ-Keto-acid/hydroxy-lactone isomerization in some lichen depsides, depsidones and diphenyl ethers.","Organic & biomolecular chemistry","2024","22","11","2264","2270","10.1039/d3ob02026f","","x-ray","0.71073","MoKα","","0.0959","0.084","","","0.1704","0.1758","","","","","","1.275","","","","has coordinates,has disorder","291055","2024-04-05","00:12:49",""
"7159800","10.9445","0.001","11.6383","0.0009","12.2119","0.0009","102.813","0.007","106.382","0.007","97.93","0.007","1421.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5,15-bis-trifluoromethyl-10-(p-anisyl)-corrole","","- C34 H24 F6 N4 O -","- C34 H24 F6 N4 O -","- C68 H48 F12 N8 O2 -","2","1","","Julliard, Paul-Gabriel; Pascal, Simon; Siri, Olivier; Giorgi, Michel; Cortés-Arriagada, Diego; Sanhueza, Luis; Canard, Gabriel","Two-step access to bis-<i>meso</i>-perfluoroalkyl-corroles towards <i>meso</i>-perfluoroacyl-ABC-corroles.","Organic & biomolecular chemistry","2024","22","10","1993","1997","10.1039/d4ob00191e","","x-ray","1.54184","CuKα","","0.132","0.0967","","","0.2826","0.3258","","","","","","1.034","","","","has coordinates","291042","2024-04-05","00:10:28",""
"7159801","8.68015","0.00018","11.4089","0.0003","12.586","0.0003","80.6513","0.0019","70.8233","0.0019","81.5848","0.0018","1155.81","0.05","295","","295","","","","","","","","","4","P -1","-P 1","2","","5,15-bistrifluoromethyl-10-(4-cyanophenyl)-corrole","","- C28 H15 F6 N5 -","- C28 H15 F6 N5 -","- C56 H30 F12 N10 -","2","1","","Julliard, Paul-Gabriel; Pascal, Simon; Siri, Olivier; Giorgi, Michel; Cortés-Arriagada, Diego; Sanhueza, Luis; Canard, Gabriel","Two-step access to bis-<i>meso</i>-perfluoroalkyl-corroles towards <i>meso</i>-perfluoroacyl-ABC-corroles.","Organic & biomolecular chemistry","2024","22","10","1993","1997","10.1039/d4ob00191e","","x-ray","1.54184","CuKα","","0.0491","0.0465","","","0.1286","0.1314","","","","","","1.053","","","","has coordinates,has disorder","291042","2024-04-05","00:10:28",""
"7159802","9.21263","0.00019","12.5354","0.0002","15.5289","0.0003","111.284","0.0018","103.501","0.0018","95.1944","0.0016","1594.14","0.06","295","","295","","","","","","","","","5","P -1","-P 1","2","","5,15-perfluoropropyl-10-(4-cyanophenyl)-corrole","","- C32.5 H16 Cl F14 N5 -","- C32.5 H16 Cl F14 N5 -","- C65 H32 Cl2 F28 N10 -","2","1","","Julliard, Paul-Gabriel; Pascal, Simon; Siri, Olivier; Giorgi, Michel; Cortés-Arriagada, Diego; Sanhueza, Luis; Canard, Gabriel","Two-step access to bis-<i>meso</i>-perfluoroalkyl-corroles towards <i>meso</i>-perfluoroacyl-ABC-corroles.","Organic & biomolecular chemistry","2024","22","10","1993","1997","10.1039/d4ob00191e","","x-ray","1.54184","CuKα","","0.0765","0.0728","","","0.2244","0.2292","","","","","","1.081","","","","has coordinates,has disorder","291042","2024-04-05","00:10:28",""
"7159803","23.5597","0.0004","11.55887","0.00018","19.1588","0.0003","90","","93.2727","0.0013","90","","5208.88","0.15","295","","295","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","5,15-bis-trifluoromethyl-10-(p-tolyl)-corrole","","- C31 H21 F6 N4 -","- C31 H21 F6 N4 -","- C248 H168 F48 N32 -","8","2","","Julliard, Paul-Gabriel; Pascal, Simon; Siri, Olivier; Giorgi, Michel; Cortés-Arriagada, Diego; Sanhueza, Luis; Canard, Gabriel","Two-step access to bis-<i>meso</i>-perfluoroalkyl-corroles towards <i>meso</i>-perfluoroacyl-ABC-corroles.","Organic & biomolecular chemistry","2024","22","10","1993","1997","10.1039/d4ob00191e","","x-ray","1.54184","CuKα","","0.0861","0.0765","","","0.23","0.2463","","","","","","1.072","","","","has coordinates","295862","2024-11-09","12:08:12",""
"7159804","18.1959","0.0007","9.9152","0.0004","23.9","0.0009","90","","101.141","0.004","90","","4230.7","0.3","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,15-perfluoroheptyl-10-(p-anisyl)-corrole","","- C40 H18 F30 N4 O -","- C40 H18 F30 N4 O -","- C160 H72 F120 N16 O4 -","4","1","","Julliard, Paul-Gabriel; Pascal, Simon; Siri, Olivier; Giorgi, Michel; Cortés-Arriagada, Diego; Sanhueza, Luis; Canard, Gabriel","Two-step access to bis-<i>meso</i>-perfluoroalkyl-corroles towards <i>meso</i>-perfluoroacyl-ABC-corroles.","Organic & biomolecular chemistry","2024","22","10","1993","1997","10.1039/d4ob00191e","","x-ray","1.54184","CuKα","","0.1331","0.0921","","","0.2365","0.2692","","","","","","1.065","","","","has coordinates,has disorder","291042","2024-04-05","00:10:28",""
"7159805","13.009","0.003","15.324","0.003","4.6638","0.0009","90","","90","","90","","929.7","0.3","293.15","","293.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C11 H9 N3 -","- C11 H9 N3 -","- C44 H36 N12 -","4","1","","Wu, Zeng-Hui; Qu, Heng-Tong; Han, Ben-Jun; Yang, Jia-Xin; Chang, Xiang-Wei; Feng, Cheng-Tao","Synthesis of pyrazino[1,2-<i>b</i>]indazoles <i>via</i> cascade cyclization of indazole aldehydes with propargylic amines.","Organic & biomolecular chemistry","2024","22","11","2226","2230","10.1039/d4ob00051j","","","0.71073","MoKα","","0.0792","0.0775","","","0.2056","0.2102","","","","","","1.053","","","","has coordinates","291050","2024-04-05","00:12:16",""
"7159806","10.005","0.004","11.035","0.004","18.194","0.007","90","","101.8","0.007","90","","1966.3","1.3","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 O3 S Se -","- C21 H18 O3 S Se -","- C84 H72 O12 S4 Se4 -","4","1","","Abdukerem, Dilshat; Chen, Hui; Mao, Zechuan; Xia, Kun; Zhu, Wenli; Liu, Changhong; Yu, Yuming; Abdukader, Ablimit","Transition metal-free C(sp<sup>3</sup>)-H selenation of β-ketosulfones.","Organic & biomolecular chemistry","2024","22","10","2075","2080","10.1039/d4ob00006d","","","0.71073","MoKα","","0.1795","0.1494","","","0.3917","0.4049","","","","","","1.141","","","","has coordinates","291040","2024-04-05","00:10:10",""
"7159807","25.9576","0.0015","14.7451","0.0009","14.1378","0.0008","90","","96.669","0.002","90","","5374.6","0.5","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34.88 H23.77 Cl1.77 F N3 -","- C34.883 H23.766 Cl1.766 F N3 -","- C279.064 H190.128 Cl14.128 F8 N24 -","8","1","","Polkaehn, Jonas; Thom, Richard; Ehlers, Peter; Villinger, Alexander; Langer, Peter","π-Expanded azaullazines: synthesis of quinolino-azaullazines by Povarov reaction and cycloisomerisation.","Organic & biomolecular chemistry","2024","22","10","2027","2042","10.1039/d4ob00091a","","","0.71073","MoKα","","0.0795","0.0516","","","0.1249","0.1401","","","","","","1.051","","","","has coordinates,has disorder","291039","2024-04-05","00:10:03",""
"7159808","11.543","0.0006","11.9861","0.0009","13.867","0.0009","84.966","0.006","76.217","0.005","62.126","0.006","1646.5","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 N O -","- C23 H19 N O -","- C92 H76 N4 O4 -","4","2","","Manenti, Marco; Villa, Tommaso; Macetti, Giovanni; Silvani, Alessandra","Alkene carboamination/oxidative denitrogenation of 3-allyl-3-hydrazinylindolin-2-ones: one-pot entry to spirocyclopropyloxindoles.","Organic & biomolecular chemistry","2024","22","10","2124","2136","10.1039/d3ob02115g","","","0.71073","MoKα","","0.1936","0.1597","","","0.4266","0.4461","","","","","","1.125","","","","has coordinates","296876","2024-12-16","17:34:44",""
"7159809","21.2019","0.0013","9.5258","0.0005","24.3433","0.0012","90","","105.859","0.006","90","","4729.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H38 Br N O2 -","- C51 H38 Br N O2 -","- C204 H152 Br4 N4 O8 -","4","1","","Manenti, Marco; Villa, Tommaso; Macetti, Giovanni; Silvani, Alessandra","Alkene carboamination/oxidative denitrogenation of 3-allyl-3-hydrazinylindolin-2-ones: one-pot entry to spirocyclopropyloxindoles.","Organic & biomolecular chemistry","2024","22","10","2124","2136","10.1039/d3ob02115g","","","1.54184","CuKα","","0.1506","0.0732","","","0.1707","0.2096","","","","","","0.95","","","","has coordinates","291038","2024-04-05","00:09:56",""
"7159810","16.8319","0.0002","10.5753","0.0001","12.5959","0.0001","90","","94.029","0.001","90","","2236.56","0.04","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 N2 O7 S -","- C21 H32 N2 O7 S -","- C84 H128 N8 O28 S4 -","4","1","","Yamaguchi, Ayuta; Obiya, Naoki; Arichi, Norihito; Oishi, Shinya; Ohno, Hiroaki; Inuki, Shinsuke","Synthesis of labionin and avionin precursors <i>via</i> a nitrogen-centred-radical-triggered 1,5-HAT reaction of Tris derivatives.","Organic & biomolecular chemistry","2024","22","10","2049","2055","10.1039/d3ob02037a","","x-ray","1.54184","CuKα","","0.0353","0.0351","","","0.0907","0.0913","","","","","","1.042","","","","has coordinates","291041","2024-04-05","00:10:16",""
"7159811","10.5663","0.0002","16.3098","0.0003","13.8053","0.0002","90","","99.809","0.002","90","","2344.35","0.07","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 N2 O7 S -","- C21 H32 N2 O7 S -","- C84 H128 N8 O28 S4 -","4","1","","Yamaguchi, Ayuta; Obiya, Naoki; Arichi, Norihito; Oishi, Shinya; Ohno, Hiroaki; Inuki, Shinsuke","Synthesis of labionin and avionin precursors <i>via</i> a nitrogen-centred-radical-triggered 1,5-HAT reaction of Tris derivatives.","Organic & biomolecular chemistry","2024","22","10","2049","2055","10.1039/d3ob02037a","","x-ray","1.54184","CuKα","","0.0411","0.0371","","","0.1008","0.1037","","","","","","1.056","","","","has coordinates","291041","2024-04-05","00:10:16",""
"7159812","34.085","0.002","11.9376","0.0005","15.874","0.0012","90","","112.316","0.008","90","","5975.3","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 F3 N O2 -","- C17 H12 F3 N O2 -","- C272 H192 F48 N16 O32 -","16","2","","Chen, Feijing; Zhao, Xiao-Xiao; Zhang, Hao-Tian; Ma, Yan-Na; Chen, Xuenian","Facile Friedel-Crafts alkylation of arenes under solvent-free conditions.","Organic & biomolecular chemistry","2024","22","11","2187","2191","10.1039/d4ob00162a","","x-ray","1.54184","CuKα","","0.1073","0.0739","","","0.1964","0.2384","","","","","","1.031","","","","has coordinates,has disorder","291052","2024-04-05","00:12:29",""
"7159813","9.5735","0.0006","9.5741","0.0007","10.0303","0.0008","113.649","0.008","108.152","0.006","94.284","0.006","778.9","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-(1H-benzo[d][1,2,3]triazol-1-yl)-3-phenyl-2H-azirine-2-carboxylate","","- C17 H14 N4 O2 -","- C17 H14 N4 O2 -","- C34 H28 N8 O4 -","2","1","","Lu, Qing; He, Yanmin; Chang, Junbiao; Yu, Wenquan","Synthesis of 2,2-difunctionalized 2<i>H</i>-azirines <i>via</i> I<sub>2</sub>-mediated annulation of enamines.","Organic & biomolecular chemistry","2024","22","11","2292","2299","10.1039/d4ob00156g","","x-ray","1.54184","CuKα","","0.0739","0.0493","","","0.1285","0.1504","","","","","","1.025","","","","has coordinates","291054","2024-04-05","00:12:41",""
"7159814","8.8691","0.0003","9.8181","0.0003","12.3544","0.0005","83.507","0.003","89.522","0.003","80.379","0.002","1053.8","0.06","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N3 O4 -","- C24 H21 N3 O4 -","- C48 H42 N6 O8 -","2","1","","Chen, Siyi; Liang, Peiyao; Cai, Yilin; Zhou, Liejin; Wang, Shoulei","Substrate-directed divergent annulations of sulfur ylides: synthesis of functionalized bispirocyclopentane and bispirocyclopropane derivatives.","Organic & biomolecular chemistry","2024","22","11","2197","2202","10.1039/d4ob00146j","","","1.54178","CuKα","","0.0778","0.0543","","","0.127","0.1451","","","","","","1.058","","","","has coordinates","291053","2024-04-05","00:12:35",""
"7159815","10.2901","0.0002","22.9799","0.0005","8.7583","0.0002","90","","110.502","0.001","90","","1939.86","0.07","301","2","301","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 O4 -","- C23 H20 N2 O4 -","- C92 H80 N8 O16 -","4","1","","Chen, Siyi; Liang, Peiyao; Cai, Yilin; Zhou, Liejin; Wang, Shoulei","Substrate-directed divergent annulations of sulfur ylides: synthesis of functionalized bispirocyclopentane and bispirocyclopropane derivatives.","Organic & biomolecular chemistry","2024","22","11","2197","2202","10.1039/d4ob00146j","","","1.54178","CuKα","","0.0646","0.0496","","","0.1301","0.1437","","","","","","1.042","","","","has coordinates","291053","2024-04-05","00:12:35",""
"7159816","8.5508","0.0001","12.4763","0.0001","16.5868","0.0001","90","","90","","90","","1769.52","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 O7 -","- C18 H24 O7 -","- C72 H96 O28 -","4","1","","Duan, Fangfang; Qin, Chunlun; Sang, Zihuan; Wei, Xiaoyi; Ruan, Hanli","Lignans and [11]-chaetoglobosins from <i>Pseudeurotium bakeri</i> and their immunosuppressive activity.","Organic & biomolecular chemistry","2024","22","11","2271","2278","10.1039/d3ob02109b","","x-ray","1.54184","CuKα","","0.0249","0.0243","","","0.0633","0.0637","","","","","","1.042","","","","has coordinates","291051","2024-04-05","00:12:23",""
"7159817","14.4485","0.0012","8.609","0.0007","16.5929","0.0014","90","","101.029","0.004","90","","2025.8","0.3","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H46 Cl3 F3 N2 O6 -","- C41 H46 Cl3 F3 N2 O6 -","- C82 H92 Cl6 F6 N4 O12 -","2","1","","Duan, Fangfang; Qin, Chunlun; Sang, Zihuan; Wei, Xiaoyi; Ruan, Hanli","Lignans and [11]-chaetoglobosins from <i>Pseudeurotium bakeri</i> and their immunosuppressive activity.","Organic & biomolecular chemistry","2024","22","11","2271","2278","10.1039/d3ob02109b","","x-ray","1.34139","Synchrotron","GaKα","0.1005","0.0889","","","0.2401","0.25","","","","","","1.058","","","","has coordinates,has disorder","291051","2024-04-05","00:12:23",""
"7159818","7.856","0.0006","9.6968","0.0007","12.0012","0.0009","70.998","0.001","85.037","0.001","87.512","0.001","861.06","0.11","100","","100","","","","","","","","","3","P 1","P 1","1","","","","- C18 H24 O7 -","- C18 H24 O7 -","- C36 H48 O14 -","2","2","","Duan, Fangfang; Qin, Chunlun; Sang, Zihuan; Wei, Xiaoyi; Ruan, Hanli","Lignans and [11]-chaetoglobosins from <i>Pseudeurotium bakeri</i> and their immunosuppressive activity.","Organic & biomolecular chemistry","2024","22","11","2271","2278","10.1039/d3ob02109b","","x-ray","1.34139","Synchrotron","GaKα","0.0813","0.0778","","","0.2146","0.2382","","","","","","1.088","","","","has coordinates","291051","2024-04-05","00:12:23",""
"7159819","7.38752","0.00008","13.87031","0.00012","16.86229","0.00017","90","","102.371","0.001","90","","1687.71","0.03","149.98","0.1","149.98","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 F N2 O -","- C22 H19 F N2 O -","- C88 H76 F4 N8 O4 -","4","1","","An, Zhenyu; Miao, Man; Sun, Fengkai; Lan, Xiao-Bing; Yu, Jian-Qiang; Guo, Xiaoli; Zhang, Jian","Copper-catalyzed oxidative cyclization of 2-(1<i>H</i>-pyrrol-1-yl)aniline and alkylsilyl peroxides: a route to pyrrolo[1,2-<i>a</i>]quinoxalines.","Organic & biomolecular chemistry","2024","22","12","2370","2374","10.1039/d3ob01934a","","x-ray","1.54184","CuKα","","0.0398","0.0383","","","0.0989","0.1","","","","","","1.053","","","","has coordinates","291059","2024-04-05","00:13:22",""
"7159820","9.5458","0.0003","10.8218","0.0003","18.6882","0.0005","102.663","0.001","92.618","0.001","90.594","0.001","1881.21","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H18 I N O4 S -","- C19 H18 I N O4 S -","- C76 H72 I4 N4 O16 S4 -","4","2","","Bao, Xiaobo; Wang, Guoli; Dong, Xu; Zhu, Mengxiao; Yang, Lili; Zhu, Junjie; Shi, Qingyuan; Zhang, Hongzhen; Chen, Dongyin","I<sub>2</sub>/CF<sub>3</sub>CO<sub>2</sub>Ag-mediated iodolactonization of various allenoic acids to access versatile 6- to 9-membered ring vinylic iodolactones.","Organic & biomolecular chemistry","2024","22","12","2443","2450","10.1039/d4ob00061g","","","1.54178","CuKα","","0.0725","0.069","","","0.182","0.1889","","","","","","1.101","","","","has coordinates,has disorder","291061","2024-04-05","00:13:33",""
"7159821","5.8219","0.0004","8.6182","0.0005","13.5458","0.0008","81.096","0.002","88.255","0.002","73.391","0.002","643.38","0.07","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 N O2 S -","- C14 H13 N O2 S -","- C28 H26 N2 O4 S2 -","2","1","","Chakraborty, Nikita; Rajbongshi, Kamal K.; Gondaliya, Amisha; Patel, Bhisma K.","PIDA/I<sub>2</sub>-mediated photo-induced aerobic <i>N</i>-acylation of sulfoximines with methylarenes.","Organic & biomolecular chemistry","2024","22","12","2375","2379","10.1039/d4ob00175c","","","0.71073","MoKα","","0.0769","0.0552","","","0.1069","0.118","","","","","","1.139","","","","has coordinates","291060","2024-04-05","00:13:27",""
"7159822","4.045","0.003","12.408","0.011","15.626","0.014","80.01","0.02","88.13","0.02","87.1","0.02","771.2","1.1","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C40 H28 N4 O2 -","2","1","","Chamakiya, Chirag A.; Chothani, Savankumar R.; Joshi, Rupal J.; Bhalodia, Jasmin; Ambasana, Mrunal A.; Bapodra, Atul H.; Kapuriya, Naval","Efficient and metal-free synthesis of 2-aroyl 7-azaindoles <i>via</i> thermally induced denitrogenative intramolecular annulation of 1,2,3,4-tetrazolopyridines.","Organic & biomolecular chemistry","2024","22","11","2192","2196","10.1039/d4ob00078a","","","0.71073","MoKα","","0.0557","0.0463","","","0.1286","0.1379","","","","","","1.05","","","","has coordinates","291056","2024-04-05","00:12:55",""
"7159823","7.2336","0.0008","10.6828","0.0011","10.9368","0.0012","90","","101.791","0.004","90","","827.31","0.15","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N O2 -","- C9 H9 N O2 -","- C36 H36 N4 O8 -","4","1","","Liu, Shuai; Liu, Xin; Zhang, Tian-Shu; Bao, Xiaoyu; Sheng, Xiaoyu; Qi, Zhenjie; Jiang, Dongfang","Electro-oxidative intermolecular C<sub>SP<sup>2</sup></sub>-H amination of heteroarenes <i>via</i> proton-coupled electron transfer.","Organic & biomolecular chemistry","2024","22","13","2549","2553","10.1039/d4ob00164h","","","0.71073","MoKα","","0.1081","0.0795","","","0.1824","0.1982","","","","","","1.095","","","","has coordinates","291046","2024-04-05","00:11:37",""
"7159824","15.06","0.0014","17.7122","0.0016","9.6717","0.0009","90","","90","","90","","2579.9","0.4","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27 H23 F3 N2 O6 S -","- C27 H23 F3 N2 O6 S -","- C108 H92 F12 N8 O24 S4 -","4","1","","Liu, Shuai; Liu, Xin; Zhang, Tian-Shu; Bao, Xiaoyu; Sheng, Xiaoyu; Qi, Zhenjie; Jiang, Dongfang","Electro-oxidative intermolecular C<sub>SP<sup>2</sup></sub>-H amination of heteroarenes <i>via</i> proton-coupled electron transfer.","Organic & biomolecular chemistry","2024","22","13","2549","2553","10.1039/d4ob00164h","","","0.71073","MoKα","","0.0863","0.055","","","0.12","0.137","","","","","","1.059","","","","has coordinates","291046","2024-04-05","00:11:37",""
"7159825","6.3402","0.0003","7.4033","0.0003","10.8259","0.0004","102.832","0.004","92.959","0.003","114.223","0.004","445.98","0.04","107","4","107","4","","","","","","","","3","P -1","-P 1","2","","","","- C1.54 H1.38 N0.46 -","- C1.53846 H1.38462 N0.461538 -","- C20 H18 N6 -","13","6.5","","Pal, Koustav; Srinivasu, Vinjamuri; Biswas, Sourabh; Sureshkumar, Devarajulu","Visible light-induced organo-photocatalyzed route to synthesize substituted pyrazoles.","Organic & biomolecular chemistry","2024","22","12","2384","2388","10.1039/d4ob00248b","","x-ray","1.54184","CuKα","","0.0465","0.0432","","","0.1274","0.1339","","","","","","1.085","","","","has coordinates","291062","2024-04-05","00:13:37",""
"7159826","10.094","0.004","10.648","0.006","13.883","0.009","73.3","0.03","70.165","0.018","72.632","0.017","1310.5","1.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H26 N2 O6 S3 -","- C27 H26 N2 O6 S3 -","- C54 H52 N4 O12 S6 -","2","1","","Cheng, Ling-Chao; Wang, Zhihua; He, Xinglei; Liang, Wangfu; Ye, Ke-Yin","Cobalt-catalyzed amination of aziridines and azetidines toward 1,2- and 1,3-diamines.","Organic & biomolecular chemistry","2024","22","13","2554","2557","10.1039/d4ob00168k","","","0.71073","MoKα","","0.1032","0.0936","","","0.2768","0.3043","","","","","","1.415","","","","has coordinates","291043","2024-04-05","00:11:04",""
"7159827","9.9841","0.0002","9.9889","0.0002","15.0529","0.0005","76.184","0.003","78.526","0.002","74.084","0.002","1387.52","0.06","292.98","0.16","292.98","0.16","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 N2 O6 S3 -","- C28 H28 N2 O6 S3 -","- C56 H56 N4 O12 S6 -","2","1","","Cheng, Ling-Chao; Wang, Zhihua; He, Xinglei; Liang, Wangfu; Ye, Ke-Yin","Cobalt-catalyzed amination of aziridines and azetidines toward 1,2- and 1,3-diamines.","Organic & biomolecular chemistry","2024","22","13","2554","2557","10.1039/d4ob00168k","","x-ray","1.54184","CuKα","","0.0746","0.0685","","","0.2097","0.2129","","","","","","1.088","","","","has coordinates","291043","2024-04-05","00:11:05",""
"7159828","48.894","0.005","6.5606","0.0006","37.444","0.004","90","","131.285","0.018","90","","9026","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C352 H304 N16 O48 S16 -","16","2","","Yakovleva, Elizaveta D.; Shelukho, Evgeniya R.; Nadirova, Maryana A.; Erokhin, Pavel P.; Simakova, Daria N.; Khrustalev, Victor N.; Grigoriev, Mikhail S.; Novikov, Anton P.; Romanycheva, Anna A.; Shetnev, Anton A.; Bychkova, Olga P.; Trenin, Alexey S.; Zubkov, Fedor I.; Zaytsev, Vladimir P.","Application of the intramolecular Diels-Alder vinylarene (IMDAV) reaction for the synthesis of benzo-, carbocyclo-, thienothiopheneisoindolecarboxylic acids and its limitations.","Organic & biomolecular chemistry","2024","22","13","2643","2653","10.1039/d3ob01933k","","","1.54184","CuKα","","0.1567","0.0785","","","0.1856","0.2313","","","","","","1.078","","","","has coordinates","291045","2024-04-05","00:11:30",""
"7159829","46.828","0.009","15.239","0.003","14.999","0.003","90","","106.54","0.03","90","","10261","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 N O3 S -","- C20 H19 N O3 S -","- C480 H456 N24 O72 S24 -","24","3","","Yakovleva, Elizaveta D.; Shelukho, Evgeniya R.; Nadirova, Maryana A.; Erokhin, Pavel P.; Simakova, Daria N.; Khrustalev, Victor N.; Grigoriev, Mikhail S.; Novikov, Anton P.; Romanycheva, Anna A.; Shetnev, Anton A.; Bychkova, Olga P.; Trenin, Alexey S.; Zubkov, Fedor I.; Zaytsev, Vladimir P.","Application of the intramolecular Diels-Alder vinylarene (IMDAV) reaction for the synthesis of benzo-, carbocyclo-, thienothiopheneisoindolecarboxylic acids and its limitations.","Organic & biomolecular chemistry","2024","22","13","2643","2653","10.1039/d3ob01933k","","","0.80246","synchrotron","","0.1143","0.0896","","","0.1986","0.2142","","","","","","1.016","","","","has coordinates","291045","2024-04-05","00:11:30",""
"7159830","9.65056","0.00014","11.27375","0.00016","12.80694","0.00018","101.984","0.0012","108.181","0.0013","109.807","0.0013","1166.44","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H27 N O4 S2 -","- C27 H27 N O4 S2 -","- C54 H54 N2 O8 S4 -","2","1","","Yakovleva, Elizaveta D.; Shelukho, Evgeniya R.; Nadirova, Maryana A.; Erokhin, Pavel P.; Simakova, Daria N.; Khrustalev, Victor N.; Grigoriev, Mikhail S.; Novikov, Anton P.; Romanycheva, Anna A.; Shetnev, Anton A.; Bychkova, Olga P.; Trenin, Alexey S.; Zubkov, Fedor I.; Zaytsev, Vladimir P.","Application of the intramolecular Diels-Alder vinylarene (IMDAV) reaction for the synthesis of benzo-, carbocyclo-, thienothiopheneisoindolecarboxylic acids and its limitations.","Organic & biomolecular chemistry","2024","22","13","2643","2653","10.1039/d3ob01933k","","","1.54184","CuKα","","0.0359","0.0347","","","0.0915","0.0925","","","","","","1.078","","","","has coordinates,has disorder","291045","2024-04-05","00:11:30",""
"7159831","9.84055","0.00007","10.20769","0.00007","12.02385","0.00008","95.4243","0.0006","96.5429","0.0006","101.311","0.0006","1168.12","0.014","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H29 N O3 S -","- C28 H29 N O3 S -","- C56 H58 N2 O6 S2 -","2","1","","Yakovleva, Elizaveta D.; Shelukho, Evgeniya R.; Nadirova, Maryana A.; Erokhin, Pavel P.; Simakova, Daria N.; Khrustalev, Victor N.; Grigoriev, Mikhail S.; Novikov, Anton P.; Romanycheva, Anna A.; Shetnev, Anton A.; Bychkova, Olga P.; Trenin, Alexey S.; Zubkov, Fedor I.; Zaytsev, Vladimir P.","Application of the intramolecular Diels-Alder vinylarene (IMDAV) reaction for the synthesis of benzo-, carbocyclo-, thienothiopheneisoindolecarboxylic acids and its limitations.","Organic & biomolecular chemistry","2024","22","13","2643","2653","10.1039/d3ob01933k","","","1.54184","CuKα","","0.0371","0.0363","","","0.0969","0.0977","","","","","","1.077","","","","has coordinates","291045","2024-04-05","00:11:30",""
"7159832","12.2769","0.0003","11.7542","0.0003","32.9548","0.0009","90","","94.633","0.002","90","","4740","0.2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 D6 F4 N O4 S2 -","- C24 H15 D6 F4 N O4 S2 -","- C192 H120 D48 F32 N8 O32 S16 -","8","2","","Yakovleva, Elizaveta D.; Shelukho, Evgeniya R.; Nadirova, Maryana A.; Erokhin, Pavel P.; Simakova, Daria N.; Khrustalev, Victor N.; Grigoriev, Mikhail S.; Novikov, Anton P.; Romanycheva, Anna A.; Shetnev, Anton A.; Bychkova, Olga P.; Trenin, Alexey S.; Zubkov, Fedor I.; Zaytsev, Vladimir P.","Application of the intramolecular Diels-Alder vinylarene (IMDAV) reaction for the synthesis of benzo-, carbocyclo-, thienothiopheneisoindolecarboxylic acids and its limitations.","Organic & biomolecular chemistry","2024","22","13","2643","2653","10.1039/d3ob01933k","","","0.71073","MoKα","","0.0949","0.0487","","","0.1076","0.1282","","","","","","1.016","","","","has coordinates,has disorder","291045","2024-04-05","00:11:30",""
"7159833","11.1667","0.0008","13.3681","0.001","15.9013","0.0013","74.286","0.002","80.082","0.002","71.936","0.002","2162.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H25 D3 N O3.5 S1.5 -","- C24 H25 D3 N O3.5 S1.5 -","- C96 H100 D12 N4 O14 S6 -","4","2","","Yakovleva, Elizaveta D.; Shelukho, Evgeniya R.; Nadirova, Maryana A.; Erokhin, Pavel P.; Simakova, Daria N.; Khrustalev, Victor N.; Grigoriev, Mikhail S.; Novikov, Anton P.; Romanycheva, Anna A.; Shetnev, Anton A.; Bychkova, Olga P.; Trenin, Alexey S.; Zubkov, Fedor I.; Zaytsev, Vladimir P.","Application of the intramolecular Diels-Alder vinylarene (IMDAV) reaction for the synthesis of benzo-, carbocyclo-, thienothiopheneisoindolecarboxylic acids and its limitations.","Organic & biomolecular chemistry","2024","22","13","2643","2653","10.1039/d3ob01933k","","","0.71073","MoKα","","0.1139","0.0574","","","0.0989","0.1156","","","","","","1.002","","","","has coordinates","296876","2024-12-16","17:34:44",""
"7159834","13.5933","0.0006","12.7117","0.0005","12.7881","0.0005","90","","97.701","0.002","90","","2189.78","0.16","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 Br D6 N O4 S2 -","- C23 H16 Br D6 N O4 S2 -","- C92 H64 Br4 D24 N4 O16 S8 -","4","1","","Yakovleva, Elizaveta D.; Shelukho, Evgeniya R.; Nadirova, Maryana A.; Erokhin, Pavel P.; Simakova, Daria N.; Khrustalev, Victor N.; Grigoriev, Mikhail S.; Novikov, Anton P.; Romanycheva, Anna A.; Shetnev, Anton A.; Bychkova, Olga P.; Trenin, Alexey S.; Zubkov, Fedor I.; Zaytsev, Vladimir P.","Application of the intramolecular Diels-Alder vinylarene (IMDAV) reaction for the synthesis of benzo-, carbocyclo-, thienothiopheneisoindolecarboxylic acids and its limitations.","Organic & biomolecular chemistry","2024","22","13","2643","2653","10.1039/d3ob01933k","","","0.71073","MoKα","","0.0474","0.0302","","","0.0608","0.0662","","","","","","1.012","","","","has coordinates","291045","2024-04-05","00:11:31",""
"7159835","6.496","0.003","11.821","0.005","12.772","0.005","73.748","0.008","83.671","0.009","75.267","0.008","909.8","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H25 F2 N O3 -","- C19 H25 F2 N O3 -","- C38 H50 F4 N2 O6 -","2","1","","Choi, Anthony; Das, Anjan; Meijer, Anthony J. H. M.; Proietti Silvestri, Ilaria; Coldham, Iain","Synthesis of enantioenriched spirocyclic 2-arylpiperidines via kinetic resolution","Organic & Biomolecular Chemistry","2024","22","8","1602","1607","10.1039/D4OB00011K","","","0.71073","MoKα","","0.0488","0.041","","","0.1094","0.1173","","","","","","1.041","","","","has coordinates","290071","2024-03-04","14:33:57",""
"7159836","8.252","0.007","10.441","0.011","12.226","0.01","90","","100.816","0.01","90","","1034.7","1.6","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H24 Cl F2 N O4 -","- C20 H24 Cl F2 N O4 -","- C40 H48 Cl2 F4 N2 O8 -","2","1","","Choi, Anthony; Das, Anjan; Meijer, Anthony J. H. M.; Proietti Silvestri, Ilaria; Coldham, Iain","Synthesis of enantioenriched spirocyclic 2-arylpiperidines via kinetic resolution","Organic & Biomolecular Chemistry","2024","22","8","1602","1607","10.1039/D4OB00011K","","","0.71073","MoKα","","0.0416","0.0347","","","0.0751","0.0794","","","","","","1.025","","","","has coordinates","290071","2024-03-04","14:33:58",""
"7159837","9.2123","0.0003","13.9474","0.0006","20.68","0.0007","100.472","0.003","92.038","0.003","92.699","0.003","2607.33","0.17","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H24 F3 N3 O3 S -","- C29 H24 F3 N3 O3 S -","- C116 H96 F12 N12 O12 S4 -","4","2","","Zhu, Yannan; Bo, Fang; Wang, Xuying; Jiang, Qianxi; Li, Qiuyun; Han, Zhongfei; Wang, Yi-Ning; Qi, Gang","Construction of 1,3,4-oxadiazolines bearing CF3-quaternary centers via amino-assisted [3 + 2] cycloadditions","Organic & Biomolecular Chemistry","2024","22","7","1391","1394","10.1039/D3OB02096G","","","0.71073","MoKα","","0.0862","0.0624","","","0.1567","0.1799","","","","","","1.032","","","","has coordinates","290072","2024-03-04","14:35:05",""
"7159838","7.2327","0.0011","7.6558","0.0011","13.5621","0.0018","100.334","0.004","95.405","0.004","109.676","0.004","685.89","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H10 F3 N O -","- C17 H10 F3 N O -","- C34 H20 F6 N2 O2 -","2","1","","Liu, Jiami; Lu, Yi; Zhu, Lingxuan; Lei, Xinsheng","Construction of indolizine scaffolds from α,ω-alkynoic acids and α,ω-vinylamines <i>via</i> sequential-relay catalysis in ""one pot"".","Organic & biomolecular chemistry","2024","22","12","2474","2479","10.1039/d4ob00067f","","","0.71073","MoKα","","0.1572","0.0614","","","0.1446","0.1908","","","","","","0.959","","","","has coordinates","291058","2024-04-05","00:13:16",""
"7159839","10.1714","0.0006","10.7451","0.0006","15.1448","0.001","90","","91.646","0.002","90","","1654.53","0.17","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 Br N2 O -","- C20 H13 Br N2 O -","- C80 H52 Br4 N8 O4 -","4","1","","Kumar, Madan; Goswami, Avijit","Synthesis of trifluoroethoxy/aryloxy cinnolines, cinnolinones and indazoles from <i>o</i>-alkynylanilines <i>via</i> metal-free diazotization reagent.","Organic & biomolecular chemistry","2024","22","13","2608","2619","10.1039/d4ob00058g","","x-ray","0.71073","MoKα","","0.0791","0.0454","","","0.099","0.1126","","","","","","1.015","","","","has coordinates","291044","2024-04-05","00:11:14",""
"7159840","15.7784","0.0019","7.2071","0.0009","13.3839","0.0014","90","","97.417","0.003","90","","1509.2","0.3","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O -","- C18 H18 N2 O -","- C72 H72 N8 O4 -","4","1","","Kumar, Madan; Goswami, Avijit","Synthesis of trifluoroethoxy/aryloxy cinnolines, cinnolinones and indazoles from <i>o</i>-alkynylanilines <i>via</i> metal-free diazotization reagent.","Organic & biomolecular chemistry","2024","22","13","2608","2619","10.1039/d4ob00058g","","x-ray","0.71073","MoKα","","0.0789","0.0611","","","0.1422","0.1519","","","","","","1.122","","","","has coordinates","291044","2024-04-05","00:11:14",""
"7159841","12.7391","0.0007","9.0644","0.0005","24.8179","0.0014","90","","90","","90","","2865.8","0.3","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C136 H128 N16 O8 -","8","1","","Kumar, Madan; Goswami, Avijit","Synthesis of trifluoroethoxy/aryloxy cinnolines, cinnolinones and indazoles from <i>o</i>-alkynylanilines <i>via</i> metal-free diazotization reagent.","Organic & biomolecular chemistry","2024","22","13","2608","2619","10.1039/d4ob00058g","","x-ray","0.71073","MoKα","","0.1315","0.0924","","","0.2234","0.2452","","","","","","1.097","","","","has coordinates","291044","2024-04-05","00:11:14",""
"7159842","5.1247","0.0005","13.5141","0.0015","20.781","0.002","90","","94.934","0.005","90","","1433.9","0.3","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 Br N2 O -","- C17 H11 Br N2 O -","- C68 H44 Br4 N8 O4 -","4","1","","Kumar, Madan; Goswami, Avijit","Synthesis of trifluoroethoxy/aryloxy cinnolines, cinnolinones and indazoles from <i>o</i>-alkynylanilines <i>via</i> metal-free diazotization reagent.","Organic & biomolecular chemistry","2024","22","13","2608","2619","10.1039/d4ob00058g","","x-ray","0.71073","MoKα","","0.0626","0.044","","","0.1072","0.1172","","","","","","1.029","","","","has coordinates","291044","2024-04-05","00:11:14",""
"7159843","13.347","0.002","7.581","0.002","29.868","0.003","90","","90","","90","","3022.2","1","298","","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H10 Cl F3 N2 O -","- C16 H10 Cl F3 N2 O -","- C128 H80 Cl8 F24 N16 O8 -","8","1","","Kumar, Madan; Goswami, Avijit","Synthesis of trifluoroethoxy/aryloxy cinnolines, cinnolinones and indazoles from <i>o</i>-alkynylanilines <i>via</i> metal-free diazotization reagent.","Organic & biomolecular chemistry","2024","22","13","2608","2619","10.1039/d4ob00058g","","x-ray","0.71073","MoKα","","0.0641","0.053","","","0.1366","0.1446","","","","","","1.063","","","","has coordinates","291044","2024-04-05","00:11:14",""
"7159844","10.7582","0.0002","12.2091","0.0002","18.8089","0.0004","90","","90","","90","","2470.51","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H42 O6 Si -","- C23 H42 O6 Si -","- C92 H168 O24 Si4 -","4","1","","Sun, Ying; Fu, Shaomin; Liu, Bo","Asymmetric synthesis of the fully functionalized six-membered A-ring of siphonol A.","Organic & biomolecular chemistry","2024","22","15","2958","2962","10.1039/d4ob00104d","","","1.54178","CuKα","","0.0415","0.0404","","","0.1046","0.106","","","","","","1.048","","","","has coordinates","291694","2024-05-05","04:04:37",""
"7159845","9.6503","0.0002","12.2687","0.0002","22.1064","0.0004","81.658","0.001","84.899","0.001","77.132","0.001","2520.24","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 Br N3 O2 -","- C30 H28 Br N3 O2 -","- C120 H112 Br4 N12 O8 -","4","2","","Baldini, Lorenzo; Lenci, Elena; Faggi, Cristina; Trabocchi, Andrea","Identification of BACE-1 inhibitors through directed C(sp<sup>3</sup>)-H activation on 5-oxo-pyrrolidine-3-carboxylic acid derivatives.","Organic & biomolecular chemistry","2024","22","14","2754","2763","10.1039/d3ob02117c","","","1.54178","CuKα","","0.0497","0.0365","","","0.1093","0.1143","","","","","","1.087","","","","has coordinates","296876","2024-12-16","17:34:44",""
"7159846","10.1201","0.0002","11.3054","0.0003","13.5515","0.0003","70.37","0.001","72.458","0.001","67.802","0.001","1324.77","0.05","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H25 N O5 -","- C33 H25 N O5 -","- C66 H50 N2 O10 -","2","1","","Savchuk, Mariia; Vo-Thanh, Giang; Oudeyer, Sylvain; Beucher, Hélène; Brière, Jean-François","Vinylogous and stereoselective domino synthesis of pyrano[2,3-<i>c</i>]pyrroles from alkylidene meldrum's acids.","Organic & biomolecular chemistry","2024","22","15","2948","2952","10.1039/d4ob00233d","","x-ray","0.71073","MoKα","","0.0655","0.052","","","0.1389","0.1512","","","","","","1.059","","","","has coordinates","291695","2024-05-05","04:04:58",""
"7159847","8.9855","0.0002","19.7009","0.0003","12.8893","0.0002","90","","102.475","0.002","90","","2227.83","0.07","301.78","0.1","301.78","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 F2 N4 O -","- C25 H20 F2 N4 O -","- C100 H80 F8 N16 O4 -","4","1","","Feng, Yang; Ren, Yuanyuan; Tang, Duoduo; Wang, Ke-Hu; Wang, Junjiao; Huang, Danfeng; Lv, Xiaobo; Hu, Yulai","Synthesis of difluoromethylated spiropyrazolones <i>via</i> [3 + 2] cycloaddition of difluoroacetohydrazonoyl bromides with alkylidene pyrazolones.","Organic & biomolecular chemistry","2024","22","14","2797","2812","10.1039/d4ob00044g","","x-ray","1.54184","CuKα","","0.0711","0.0621","","","0.1853","0.1944","","","","","","1.072","","","","has coordinates,has disorder","291049","2024-04-05","00:12:06",""
"7159848","19.8243","0.0004","7.1803","0.0001","16.7155","0.0003","90","","104.02","0.002","90","","2308.48","0.07","274.7","0.3","274.7","0.3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Cl2 F2 N4 O -","- C25 H18 Cl2 F2 N4 O -","- C100 H72 Cl8 F8 N16 O4 -","4","1","","Feng, Yang; Ren, Yuanyuan; Tang, Duoduo; Wang, Ke-Hu; Wang, Junjiao; Huang, Danfeng; Lv, Xiaobo; Hu, Yulai","Synthesis of difluoromethylated spiropyrazolones <i>via</i> [3 + 2] cycloaddition of difluoroacetohydrazonoyl bromides with alkylidene pyrazolones.","Organic & biomolecular chemistry","2024","22","14","2797","2812","10.1039/d4ob00044g","","x-ray","1.54184","CuKα","","0.0551","0.0533","","","0.1391","0.141","","","","","","1.074","","","","has coordinates","291049","2024-04-05","00:12:06",""
"7159849","18.9993","0.0002","11.37225","0.00015","43.5762","0.0005","90","","96.9104","0.0011","90","","9346.89","0.19","301.71","0.1","301.71","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C25 H18 Cl2 F2 N4 O -","- C25 H18 Cl2 F2 N4 O -","- C400 H288 Cl32 F32 N64 O16 -","16","2","","Feng, Yang; Ren, Yuanyuan; Tang, Duoduo; Wang, Ke-Hu; Wang, Junjiao; Huang, Danfeng; Lv, Xiaobo; Hu, Yulai","Synthesis of difluoromethylated spiropyrazolones <i>via</i> [3 + 2] cycloaddition of difluoroacetohydrazonoyl bromides with alkylidene pyrazolones.","Organic & biomolecular chemistry","2024","22","14","2797","2812","10.1039/d4ob00044g","","x-ray","1.54184","CuKα","","0.076","0.0644","","","0.1957","0.2087","","","","","","1.083","","","","has coordinates","295677","2024-10-30","18:34:33",""
"7159850","9.0184","0.0001","19.8009","0.0003","12.6774","0.0002","90","","101.082","0.001","90","","2221.62","0.06","287.3","0.2","287.3","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 F3 N4 O -","- C25 H19 F3 N4 O -","- C100 H76 F12 N16 O4 -","4","1","","Feng, Yang; Ren, Yuanyuan; Tang, Duoduo; Wang, Ke-Hu; Wang, Junjiao; Huang, Danfeng; Lv, Xiaobo; Hu, Yulai","Synthesis of difluoromethylated spiropyrazolones <i>via</i> [3 + 2] cycloaddition of difluoroacetohydrazonoyl bromides with alkylidene pyrazolones.","Organic & biomolecular chemistry","2024","22","14","2797","2812","10.1039/d4ob00044g","","x-ray","1.54184","CuKα","","0.0581","0.0531","","","0.151","0.1555","","","","","","1.085","","","","has coordinates","291049","2024-04-05","00:12:06",""
"7159851","10.1829","0.0008","13.8753","0.001","14.2627","0.001","63.913","0.002","89.426","0.002","73.285","0.002","1717.5","0.2","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H54 N8 O4 -","- C36 H54 N8 O4 -","- C72 H108 N16 O8 -","2","1","","Le Roy, Marie M.; Claes, Sandra; Saffon-Merceron, Nathalie; Schols, Dominique; Troadec, Thibault; Tripier, Raphaël","Selective synthesis of an elusive <i>C</i>-functional bis-cyclam and study of its inhibition of the CXCR4 chemokine receptor.","Organic & biomolecular chemistry","2024","22","15","3059","3067","10.1039/d3ob02050a","","","0.71073","MoKα","","0.1323","0.0797","","","0.2293","0.2686","","","","","","1.032","","","","has coordinates","291690","2024-05-05","04:02:47",""
"7159852","5.16094","0.00017","12.6912","0.0004","8.2512","0.0003","90","","92.987","0.003","90","","539.71","0.03","110","0.1","110","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","3,4,5-Trihydroxy-6-(hydroxymethyl)-1-(3-hydroxypropanoyl)piperidin-2-one","","- C9 H15 N O7 -","- C9 H15 N O7 -","- C18 H30 N2 O14 -","2","1","","Yang, Zhongzhen; Arnoux, Marion; Hazelard, Damien; Hughes, Owen R.; Nabarro, Joe; Whitwood, Adrian C.; Fascione, Martin A.; Spicer, Christopher D.; Compain, Philippe; Unsworth, William P.","Expanding the scope of the successive ring expansion strategy for macrocycle and medium-sized ring synthesis: unreactive and reactive lactams.","Organic & biomolecular chemistry","2024","22","15","2985","2991","10.1039/d4ob00285g","","x-ray","1.54184","CuKα","","0.0326","0.0292","","","0.0651","0.0674","","","","","","1.044","","","","has coordinates","291691","2024-05-05","04:03:13",""
"7159853","9.767","0.0009","12.1981","0.0012","12.7598","0.0012","73.207","0.002","83.479","0.004","79.591","0.003","1428.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Cl N3 O2 S -","- C28 H28 Cl N3 O2 S -","- C56 H56 Cl2 N6 O4 S2 -","2","1","","Wang, Liang; Song, Xiaopei; Guo, Fengxia; Xu, Lubin; Hu, Fangzhi; Guo, Feng-Wei; Li, Shuai-Shuai","Diversity-oriented synthesis of indole-fused scaffolds and bis(indolyl)methane from tosyl-protected tryptamine.","Organic & biomolecular chemistry","2024","22","14","2824","2834","10.1039/d4ob00099d","","","0.71073","MoKα","","0.0967","0.0661","","","0.1639","0.1779","","","","","","1.019","","","","has coordinates","291048","2024-04-05","00:11:49",""
"7159854","17.2157","0.0004","9.9039","0.0002","18.6383","0.0004","90","","99.352","0.002","90","","3135.64","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H70 N6 O6 S2 -","- C72 H70 N6 O6 S2 -","- C144 H140 N12 O12 S4 -","2","0.5","","Wang, Liang; Song, Xiaopei; Guo, Fengxia; Xu, Lubin; Hu, Fangzhi; Guo, Feng-Wei; Li, Shuai-Shuai","Diversity-oriented synthesis of indole-fused scaffolds and bis(indolyl)methane from tosyl-protected tryptamine.","Organic & biomolecular chemistry","2024","22","14","2824","2834","10.1039/d4ob00099d","","","1.54184","CuKα","","0.0548","0.0455","","","0.1226","0.1307","","","","","","1.028","","","","has coordinates,has disorder","291048","2024-04-05","00:11:50",""
"7159855","14.6339","0.0005","15.1689","0.0005","16.0492","0.0003","102.718","0.002","111.425","0.003","105.578","0.003","2986.6","0.2","139.9","0.4","139.9","0.4","","","","","","","","4","P -1","-P 1","2","","","","- C31 H29 N3 O5 -","- C31 H29 N3 O5 -","- C124 H116 N12 O20 -","4","2","","Barlow, Sean R.; Halcovitch, Nathan R.; Evans, Nicholas H.","A pyridine-<i>N</i>-oxide catenane for cation recognition.","Organic & biomolecular chemistry","2024","22","15","3001","3008","10.1039/d4ob00176a","","x-ray","1.54184","CuKα","","0.0867","0.0658","","","0.1888","0.2141","","","","","","1.026","","","","has coordinates","291697","2024-05-05","04:06:02",""
"7159856","21.5269","0.0002","11.1056","0.0001","21.8729","0.0002","90","","99.44","0.001","90","","5158.32","0.08","99.93","0.16","99.93","0.16","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 N3 O4 -","- C31 H29 N3 O4 -","- C248 H232 N24 O32 -","8","2","","Barlow, Sean R.; Halcovitch, Nathan R.; Evans, Nicholas H.","A pyridine-<i>N</i>-oxide catenane for cation recognition.","Organic & biomolecular chemistry","2024","22","15","3001","3008","10.1039/d4ob00176a","","x-ray","1.54184","CuKα","","0.0439","0.0372","","","0.0907","0.0948","","","","","","1.059","","","","has coordinates","291697","2024-05-05","04:06:05",""
"7159857","10.184","0.0005","14.8969","0.0007","14.107","0.0007","90","","108.171","0.001","90","","2033.44","0.17","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21.5 H33 O5.5 -","- C21.5 H33 O5.5 -","- C86 H132 O22 -","4","2","","Li, Man; Feng, Ling; Zhang, Han; Liu, Yan-Chun; Zhou, Ting-Ting; Zheng, Yu; Guo, Kai; Liu, Yan; Li, Sheng-Hong","Unusual immunosuppressive pyridine-containing <i>bisnor</i>- (c<sub>23</sub>), <i>tetranor</i>- (c<sub>21</sub>) and <i>pentanor</i>- (c<sub>20</sub>) sesterterpenoids from Tibetan <i>Leucosceptrum canum</i>.","Organic & biomolecular chemistry","2024","22","15","3019","3024","10.1039/d4ob00334a","","","1.54178","CuKα","","0.0539","0.0536","","","0.1405","0.1408","","","","","","1.054","","","","has coordinates","296876","2024-12-16","17:34:44",""
"7159858","11.202","0.0002","11.3554","0.0002","18.8713","0.0004","103.795","0.0018","102.27","0.0018","93.4841","0.0016","2262.23","0.08","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C58 H46 Br N4 O3 -","- C58 H46 Br N4 O3 -","- C116 H92 Br2 N8 O6 -","2","1","","Chen, Yuzhen; Chen, Jiajia; Zhong, Lin; Zhang, Yili; Zhan, Ruoting; Huang, Huicai; Xue, Yongbo","Enantioselective synthesis of spirooxindole-pyran derivatives <i>via</i> a remote inverse-electron-demand Diels-Alder reaction of β,γ-unsaturated amides.","Organic & biomolecular chemistry","2024","22","16","3198","3203","10.1039/d4ob00303a","","x-ray","1.54184","CuKα","","0.0798","0.0733","","","0.2054","0.213","","","","","","1.065","","","","has coordinates","291689","2024-05-05","04:02:01",""
"7159859","5.74906","0.00011","19.4433","0.0005","17.5592","0.0004","90","","93.9972","0.0018","90","","1958.01","0.08","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Cl O2 P -","- C22 H20 Cl O2 P -","- C88 H80 Cl4 O8 P4 -","4","1","","Huang, Hua; Wu, Yi-Qi; Han, Lu-Yao; Jiang, Lu; Zhang, Zhuo-Zhuo; Zhang, Xiang; Han, Bo; Huang, Wei; Li, Jun-Long","Palladium-catalyzed (<i>Z</i>)-selective allylation of phosphine oxides with vinylethylene carbonates to construct phosphorus allyl alcohols.","Organic & biomolecular chemistry","2024","22","15","3068","3072","10.1039/d4ob00354c","","x-ray","1.54184","CuKα","","0.0718","0.0618","","","0.1706","0.1865","","","","","","1.019","","","","has coordinates","291696","2024-05-05","04:05:32",""
"7159860","9.7029","0.0007","10.6515","0.0007","11.9141","0.0008","77.212","0.002","73.407","0.002","74.174","0.002","1121.49","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 N4 S -","- C12 H10 N4 S -","- C48 H40 N16 S4 -","4","2","","Rao, Ramdas Nishanth; Das, Soumyadip; Jacob, Kezia; Alam, Mohammed Mujahid; Balamurali, M. M.; Chanda, Kaushik","Synthetic access to diverse thiazetidines <i>via</i> a one-pot microwave assisted telescopic approach and their interaction with biomolecules.","Organic & biomolecular chemistry","2024","22","16","3249","3261","10.1039/d4ob00075g","","","0.71073","MoKα","","0.0428","0.0377","","","0.1087","0.1142","","","","","","1.122","","","","has coordinates","291686","2024-05-05","03:59:57",""
"7159861","15.7","0.002","11.2137","0.0013","13.4533","0.0013","90","","90","","90","","2368.5","0.5","298","","298","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H20 N2 O7 S2 -","- C24 H20 N2 O7 S2 -","- C96 H80 N8 O28 S8 -","4","0.5","","Panday, Surabhi; Maity, Tapas; Bhatti, Pratibha; Laha, Joydev K.","Direct access to pyrrole anhydrides <i>via</i> oxidative self-coupling of pyrrole carboxaldehydes.","Organic & biomolecular chemistry","2024","22","15","3045","3052","10.1039/d4ob00052h","","x-ray","0.71073","MoKα","","0.0988","0.0418","","","0.0996","0.1246","","","","","","1.029","","","","has coordinates","291692","2024-05-05","04:03:37",""
"7159862","11.55","0.004","19.972","0.01","14.943","0.007","90","","95.194","0.011","90","","3433","3","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H52 N2 O6 -","- C38 H52 N2 O6 -","- C152 H208 N8 O24 -","4","2","","Ramírez-Lozano, Claudia M; Ochoa, Ma Eugenia; Labra-Vázquez, Pablo; Jiménez-Sánchez, Arturo; Farfán, Norberto; Santillan, Rosa","Exploring the self-assembly dynamics of novel steroid-coumarin conjugates: a comprehensive spectroscopic and solid-state investigation.","Organic & biomolecular chemistry","2024","22","16","3314","3327","10.1039/d4ob00192c","","","0.71073","MoKα","","0.0831","0.048","","","0.114","0.1313","","","","","","1.034","","","","has coordinates","291687","2024-05-05","04:00:50",""
"7159863","8.0067","0.0018","10.661","0.002","23.119","0.005","79.169","0.006","85.466","0.006","85.116","0.006","1927.2","0.7","295","2","295","2","","","","","","","","5","P 1","P 1","1","","","","- C74.18 H106.96 Cl3 N4 O13.4 -","- C74.32 H107.3 Cl3 N4 O13.415 -","- C74.32 H107.3 Cl3 N4 O13.415 -","1","1","","Ramírez-Lozano, Claudia M; Ochoa, Ma Eugenia; Labra-Vázquez, Pablo; Jiménez-Sánchez, Arturo; Farfán, Norberto; Santillan, Rosa","Exploring the self-assembly dynamics of novel steroid-coumarin conjugates: a comprehensive spectroscopic and solid-state investigation.","Organic & biomolecular chemistry","2024","22","16","3314","3327","10.1039/d4ob00192c","","","0.71073","MoKα","","0.117","0.0868","","","0.2278","0.2616","","","","","","1.026","","","","has coordinates,has disorder","291687","2024-05-05","04:00:55",""
"7159864","9.117","0.002","12.119","0.003","14.803","0.004","82.309","0.005","78.83","0.005","70.106","0.005","1504.7","0.6","294","2","294","2","","","","","","","","4","P 1","P 1","1","","","","- C35 H40 N2 O6 -","- C35 H40 N2 O6 -","- C70 H80 N4 O12 -","2","2","","Ramírez-Lozano, Claudia M; Ochoa, Ma Eugenia; Labra-Vázquez, Pablo; Jiménez-Sánchez, Arturo; Farfán, Norberto; Santillan, Rosa","Exploring the self-assembly dynamics of novel steroid-coumarin conjugates: a comprehensive spectroscopic and solid-state investigation.","Organic & biomolecular chemistry","2024","22","16","3314","3327","10.1039/d4ob00192c","","","0.71073","MoKα","","0.4131","0.0948","","","0.1585","0.2588","","","","","","0.919","","","","has coordinates,has disorder","291687","2024-05-05","04:00:55",""
"7159865","13.6252","0.0016","18.037","0.002","27.681","0.004","90","","98.174","0.003","90","","6733.7","1.5","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H50 N2 O6 -","- C38 H50 N2 O6 -","- C304 H400 N16 O48 -","8","4","","Ramírez-Lozano, Claudia M; Ochoa, Ma Eugenia; Labra-Vázquez, Pablo; Jiménez-Sánchez, Arturo; Farfán, Norberto; Santillan, Rosa","Exploring the self-assembly dynamics of novel steroid-coumarin conjugates: a comprehensive spectroscopic and solid-state investigation.","Organic & biomolecular chemistry","2024","22","16","3314","3327","10.1039/d4ob00192c","","","0.71073","MoKα","","0.1899","0.0826","","","0.166","0.2156","","","","","","1.054","","","","has coordinates","291687","2024-05-05","04:00:56",""
"7159866","8.4096","0.0001","14.7442","0.0002","17.5925","0.0002","109.465","0.001","94.577","0.001","105.526","0.001","1947.03","0.05","93","2","93","2","","","","","","","","9","P -1","-P 1","2","","","","- C38 H41 B Cl3 F2 I N2 O3 S -","- C38 H41 B Cl3 F2 I N2 O3 S -","- C76 H82 B2 Cl6 F4 I2 N4 O6 S2 -","2","1","","Kumar, Bintu; Bhatta, Anindita; Saraf, Prakriti; Pandurang, Taur Prakash; Rangan, Krishnan; Sarkar, Madhushree; Mitra, Sivaprasad; Kumar, Dalip","BODIPY(aryl)iodonium salts in the efficient synthesis of diversely functionalized BODIPYs and selective detection of serum albumin.","Organic & biomolecular chemistry","2024","22","17","3405","3414","10.1039/d4ob00336e","","x-ray","1.54184","CuKα","","0.0438","0.0429","","","0.117","0.1176","","","","","","1.114","","","","has coordinates","291682","2024-05-05","03:57:58",""
"7159867","9.5461","0.0005","11.3648","0.0006","13.2742","0.0008","66.284","0.002","72.713","0.002","85.367","0.002","1257.7","0.12","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C61 H40 N8 O -","- C61 H40 N8 O -","- C61 H40 N8 O -","1","0.5","","Bera, Debasish; Sarkar, Rajib; Dhar, Tiyasa; Saha, Pinaki; Ghosh, Prasanta; Mukhopadhyay, Chhanda","DMSO promoted catalyst-free oxidative C-N/C-O couplings towards synthesis of imidazoles and oxazoles.","Organic & biomolecular chemistry","2024","22","18","3684","3692","10.1039/d4ob00383g","","","0.71073","MoKα","","0.0817","0.0661","","","0.1827","0.1954","","","","","","0.972","","","","has coordinates","293270","2024-07-05","17:59:25",""
"7159868","10.587","0.004","9.745","0.003","12.647","0.004","90","","114.621","0.011","90","","1186.2","0.7","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[Cy-MBT]2","2,2'-dicyclohexyl-3,3'-dimethyl-2,2',3,3'-tetrahydro-2,2'-bibenzo[d]thiazole","","- C28 H36 N2 S2 -","- C28 H36 N2 S2 -","- C56 H72 N4 S4 -","2","0.5","","Shaikh, Aijaz; Sahoo, Satyajit; Marder, Seth R.; Barlow, Stephen; Mohapatra, Swagat K.","Reductive dimerization of benzothiazolium salts.","Organic & biomolecular chemistry","2024","22","10","2115","2123","10.1039/d3ob01871g","","","0.71073","MoKα","","0.0525","0.0391","","","0.0931","0.1052","","","","","","1.056","","","","has coordinates","290787","2024-04-04","15:31:03",""
"7159869","17.7804","0.0015","9.5679","0.0008","15.6535","0.0011","90","","106.559","0.003","90","","2552.5","0.4","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 N2 S2 -","- C30 H28 N2 S2 -","- C120 H112 N8 S8 -","4","0.5","","Shaikh, Aijaz; Sahoo, Satyajit; Marder, Seth R.; Barlow, Stephen; Mohapatra, Swagat K.","Reductive dimerization of benzothiazolium salts.","Organic & biomolecular chemistry","2024","22","10","2115","2123","10.1039/d3ob01871g","","","0.71073","MoKα","","0.1112","0.0545","","","0.1521","0.1994","","","","","","1.145","","","","has coordinates","290787","2024-04-04","15:31:05",""
"7159870","11.2732","0.0007","15.3186","0.0011","26.6578","0.0018","90","","90","","90","","4603.5","0.5","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H24 N2 S2 -","- C28 H24 N2 S2 -","- C224 H192 N16 S16 -","8","1","","Shaikh, Aijaz; Sahoo, Satyajit; Marder, Seth R.; Barlow, Stephen; Mohapatra, Swagat K.","Reductive dimerization of benzothiazolium salts.","Organic & biomolecular chemistry","2024","22","10","2115","2123","10.1039/d3ob01871g","","","0.71073","MoKα","","0.0841","0.0456","","","0.1291","0.1749","","","","","","1.133","","","","has coordinates","290787","2024-04-04","15:31:05",""
"7159871","11.5558","0.0007","13.4475","0.0009","16.2668","0.0011","90","","98.667","0.002","90","","2498.9","0.3","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 N2 S2 -","- C28 H36 N2 S2 -","- C112 H144 N8 S8 -","4","1","","Shaikh, Aijaz; Sahoo, Satyajit; Marder, Seth R.; Barlow, Stephen; Mohapatra, Swagat K.","Reductive dimerization of benzothiazolium salts.","Organic & biomolecular chemistry","2024","22","10","2115","2123","10.1039/d3ob01871g","","","0.71073","MoKα","","0.0998","0.0499","","","0.1351","0.1951","","","","","","1.134","","","","has coordinates","290787","2024-04-04","15:31:05",""
"7159872","11.0557","0.0011","11.7243","0.0012","13.4222","0.0014","99.778","0.003","108.497","0.003","113.542","0.003","1421.9","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H34 N4 S2 -","- C32 H34 N4 S2 -","- C64 H68 N8 S4 -","2","1","","Shaikh, Aijaz; Sahoo, Satyajit; Marder, Seth R.; Barlow, Stephen; Mohapatra, Swagat K.","Reductive dimerization of benzothiazolium salts.","Organic & biomolecular chemistry","2024","22","10","2115","2123","10.1039/d3ob01871g","","","0.71073","MoKα","","0.1299","0.0597","","","0.1479","0.2129","","","","","","1.029","","","","has coordinates","290787","2024-04-04","15:31:05",""
"7159873","8.3117","0.0003","40.3059","0.0011","15.5696","0.0004","90","","90.987","0.001","90","","5215.2","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N2 O2 S2 -","- C30 H28 N2 O2 S2 -","- C240 H224 N16 O16 S16 -","8","2","","Shaikh, Aijaz; Sahoo, Satyajit; Marder, Seth R.; Barlow, Stephen; Mohapatra, Swagat K.","Reductive dimerization of benzothiazolium salts.","Organic & biomolecular chemistry","2024","22","10","2115","2123","10.1039/d3ob01871g","","","0.71073","MoKα","","0.0991","0.0484","","","0.1022","0.1304","","","","","","1.045","","","","has coordinates","290787","2024-04-04","15:31:07",""
"7159874","14.936","0.002","7.915","0.0011","20.365","0.003","90","","109.947","0.004","90","","2263.1","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N2 S2 -","- C28 H24 N2 S2 -","- C112 H96 N8 S8 -","4","1","","Shaikh, Aijaz; Sahoo, Satyajit; Marder, Seth R.; Barlow, Stephen; Mohapatra, Swagat K.","Reductive dimerization of benzothiazolium salts.","Organic & biomolecular chemistry","2024","22","10","2115","2123","10.1039/d3ob01871g","","","0.71073","MoKα","","0.1691","0.0775","","","0.1883","0.2531","","","","","","1.223","","","","has coordinates","290787","2024-04-04","15:31:15",""
"7159875","16.7536","0.0011","20.1967","0.0013","7.9477","0.0005","90","","90","","90","","2689.2","0.3","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H28 N2 O2 S2 -","- C30 H28 N2 O2 S2 -","- C120 H112 N8 O8 S8 -","4","1","","Shaikh, Aijaz; Sahoo, Satyajit; Marder, Seth R.; Barlow, Stephen; Mohapatra, Swagat K.","Reductive dimerization of benzothiazolium salts.","Organic & biomolecular chemistry","2024","22","10","2115","2123","10.1039/d3ob01871g","","","0.71073","MoKα","","0.0692","0.0385","","","0.0944","0.1223","","","","","","1.091","","","","has coordinates","290787","2024-04-04","15:31:16",""
"7159876","26.1309","0.0017","7.8519","0.0004","12.858","0.0009","90","","112.938","0.002","90","","2429.6","0.3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N2 O2 S2 -","- C28 H24 N2 O2 S2 -","- C112 H96 N8 O8 S8 -","4","0.5","","Shaikh, Aijaz; Sahoo, Satyajit; Marder, Seth R.; Barlow, Stephen; Mohapatra, Swagat K.","Reductive dimerization of benzothiazolium salts.","Organic & biomolecular chemistry","2024","22","10","2115","2123","10.1039/d3ob01871g","","","0.71073","MoKα","","0.059","0.0371","","","0.0899","0.1099","","","","","","1.046","","","","has coordinates","290787","2024-04-04","15:31:18",""
"7159877","23.932","0.007","9.723","0.003","12.611","0.004","90","","113.816","0.01","90","","2684.6","1.4","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 N2 O2 S2 -","- C28 H36 N2 O2 S2 -","- C112 H144 N8 O8 S8 -","4","0.5","","Shaikh, Aijaz; Sahoo, Satyajit; Marder, Seth R.; Barlow, Stephen; Mohapatra, Swagat K.","Reductive dimerization of benzothiazolium salts.","Organic & biomolecular chemistry","2024","22","10","2115","2123","10.1039/d3ob01871g","","","0.71073","MoKα","","0.0847","0.0488","","","0.1243","0.1584","","","","","","1.081","","","","has coordinates","290787","2024-04-04","15:31:18",""
"7159878","12.016","0.004","14.397","0.005","15.879","0.006","72.225","0.009","77.082","0.011","88.777","0.01","2546.4","1.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H28 N2 S2 -","- C30 H28 N2 S2 -","- C120 H112 N8 S8 -","4","2","","Shaikh, Aijaz; Sahoo, Satyajit; Marder, Seth R.; Barlow, Stephen; Mohapatra, Swagat K.","Reductive dimerization of benzothiazolium salts.","Organic & biomolecular chemistry","2024","22","10","2115","2123","10.1039/d3ob01871g","","","0.71073","MoKα","","0.0843","0.0497","","","0.1484","0.1882","","","","","","1.253","","","","has coordinates","290787","2024-04-04","15:31:18",""
"7159879","7.1212","0.0001","12.502","0.0001","12.8247","0.0001","90","","95.551","0.001","90","","1136.42","0.02","160","0.1","160","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H10 O2 -","- C17 H10 O2 -","- C68 H40 O8 -","4","1","","Manikandan, Balasubramaniyam; Thamotharan, Subbiah; Blacque, Olivier; Selva Ganesan, Subramaniapillai","Deconstructive annulation mediated one-pot synthesis of xanthene derivatives.","Organic & biomolecular chemistry","2024","22","16","3279","3286","10.1039/d4ob00093e","","x-ray","1.54184","CuKα","","0.0363","0.0339","","","0.1013","0.1034","","","","","","1.097","","","","has coordinates","291688","2024-05-05","04:01:37",""
"7159880","10.0374","0.0001","12.7461","0.0001","15.5693","0.0002","90","","93.567","0.001","90","","1988.04","0.04","160","0.1","160","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 O3 -","- C26 H24 O3 -","- C104 H96 O12 -","4","1","","Manikandan, Balasubramaniyam; Thamotharan, Subbiah; Blacque, Olivier; Selva Ganesan, Subramaniapillai","Deconstructive annulation mediated one-pot synthesis of xanthene derivatives.","Organic & biomolecular chemistry","2024","22","16","3279","3286","10.1039/d4ob00093e","","x-ray","1.54184","CuKα","","0.0357","0.034","","","0.0845","0.0859","","","","","","1.056","","","","has coordinates","291688","2024-05-05","04:01:39",""
"7159881","14.0054","0.0011","13.9608","0.0011","7.3675","0.0006","90","","97.698","0.002","90","","1427.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O2 S -","- C17 H13 N O2 S -","- C68 H52 N4 O8 S4 -","4","1","","Sheela, Kalleshappa; Santhosh, Chikkappaiahnayaka; Singh, Krishna Ravi; Sharath, Kalleshappa; Sadashiva, Maralinganadoddi P.","An efficient synthesis of mono-, di-, and tri-substituted 1,3-thiazoles employing functionalized thioamides as thiocarbonyl precursors.","Organic & biomolecular chemistry","2024","22","17","3490","3501","10.1039/d4ob00229f","","","0.71073","MoKα","","0.0776","0.065","","","0.1363","0.142","","","","","","1.134","","","","has coordinates","291681","2024-05-05","03:57:24",""
"7159882","12.3903","0.0001","32.0048","0.0002","10.893","0.0001","90","","103.329","0.001","90","","4203.25","0.06","190","","190","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H29 B Br2 Cl3 N O6 -","- C49 H29 B Br2 Cl3 N O6 -","- C196 H116 B4 Br8 Cl12 N4 O24 -","4","1","","Tsutsui, Yuya; Yanaka, Issei; Takeda, Kazuhiro; Kondo, Masaru; Takizawa, Shinobu; Kojima, Ryosuke; Konishi, Akihito; Yasuda, Makoto","Selective recognition between aromatics and aliphatics by cage-shaped borates supported by a machine learning approach.","Organic & biomolecular chemistry","2024","22","21","4283","4291","10.1039/d4ob00408f","","x-ray","1.54184","CuKα","","0.0361","0.0334","","","0.0917","0.0939","","","","","","1.053","","","","has coordinates,has disorder","293277","2024-07-05","18:00:32",""
"7159883","14.3033","0.0002","16.7148","0.0002","20.3372","0.0002","87.393","0.001","77.102","0.001","80.178","0.001","4669.87","0.1","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C61 H38 B Cl2 N O6 -","- C61 H38 B Cl2 N O6 -","- C244 H152 B4 Cl8 N4 O24 -","4","2","","Tsutsui, Yuya; Yanaka, Issei; Takeda, Kazuhiro; Kondo, Masaru; Takizawa, Shinobu; Kojima, Ryosuke; Konishi, Akihito; Yasuda, Makoto","Selective recognition between aromatics and aliphatics by cage-shaped borates supported by a machine learning approach.","Organic & biomolecular chemistry","2024","22","21","4283","4291","10.1039/d4ob00408f","","x-ray","1.54184","CuKα","","0.0644","0.0576","","","0.1614","0.1683","","","","","","1.037","","","","has coordinates,has disorder","293277","2024-07-05","18:00:32",""
"7159884","11.45","0.02","8.899","0.016","17.03","0.03","90","","101.8","0.03","90","","1699","5","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O3 S -","- C19 H16 N2 O3 S -","- C76 H64 N8 O12 S4 -","4","1","","Wu, Yinsong; Shi, Guanghao; Liu, Yanan; Kong, Yangzilin; Wu, Mengdi; Wang, Demao; Wu, Xiaobing; Shang, Yongjia; He, Xinwei","A rhodium-catalyzed cascade C-H activation/annulation strategy for the expeditious assembly of pyrrolidinedione-fused 1,2-benzothiazines.","Organic & biomolecular chemistry","2024","22","17","3523","3532","10.1039/d4ob00193a","","x-ray","0.71073","MoKα","","0.0505","0.0391","","","0.1077","0.116","","","","","","1.053","","","","has coordinates","291685","2024-05-05","03:59:25",""
"7159885","13.0408","0.0008","7.8341","0.0005","11.5786","0.0008","90","","95.948","0.006","90","","1176.54","0.13","295.64","0.1","295.64","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 O2 S -","- C13 H12 O2 S -","- C52 H48 O8 S4 -","4","1","","Zhang, Yixin; Yang, Zhu; Yang, Hongjun; Li, Xuefeng; Yang, Lu","Generation of sulfones utilizing β-sulfinyl esters as masked aryl sulfinates under redox-neutral conditions.","Organic & biomolecular chemistry","2024","22","17","3381","3385","10.1039/d4ob00238e","","x-ray","1.54184","CuKα","","0.105","0.0981","","","0.2493","0.2639","","","","","","1.945","","","","has coordinates","291683","2024-05-05","03:58:24",""
"7159886","8.99824","0.00007","13.13119","0.00009","17.7977","0.00013","90","","90","","90","","2102.93","0.03","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 N4 O3 -","- C23 H24 N4 O3 -","- C92 H96 N16 O12 -","4","1","","Gao, Siyu; Sun, Xiang; Peng, Sijie; Zha, Zhenggen; Sun, Qi; Wang, Zhiyong","A copper-catalyzed asymmetric Friedel-Crafts hydroxyalkylation of pyrazole-4,5-diones with 5-aminoisoxazoles.","Organic & biomolecular chemistry","2024","22","17","3391","3395","10.1039/d4ob00322e","","x-ray","1.54184","CuKα","","0.0439","0.0434","","","0.1143","0.1151","","","","","","1.079","","","","has coordinates","291684","2024-05-05","03:58:56",""
"7159887","24.242","0.018","8.394","0.004","17.127","0.012","90","","99.39","0.04","90","","3438","4","292","2","292","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 O2 P -","- C21 H19 O2 P -","- C168 H152 O16 P8 -","8","1","","Ma, Jiangkai; Wang, Lianjie; Qiao, Anjiang; Li, Zhongxian; Zhao, Fengqian; Wu, Junliang","Synthesis of alkenylphosphine oxides <i>via</i> Tf<sub>2</sub>O promoted addition-elimination of ketones and secondary phosphine oxides.","Organic & biomolecular chemistry","2024","22","18","3592","3596","10.1039/d4ob00318g","","","0.71073","MoKα","","0.0579","0.0403","","","0.0995","0.1081","","","","","","1.067","","","","has coordinates","293265","2024-07-05","17:58:47",""
"7159888","7.3799","0.0001","13.7636","0.0003","11.7474","0.0002","90","","91.648","0.001","90","","1192.74","0.04","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl N O -","- C15 H10 Cl N O -","- C60 H40 Cl4 N4 O4 -","4","1","","Lukoyanov, Alexander A.; Aksenova, Svetlana A.; Tabolin, Andrey A.; Sukhorukov, Alexey Yu","3-Halo-5,6-dihydro-4<i>H</i>-1,2-oxazine <i>N</i>-oxides as synthetic equivalents of unsaturated nitrile oxides in the [3 + 2]-cycloaddition with arynes: synthesis of substituted 3-vinyl-1,2-benzisoxazoles.","Organic & biomolecular chemistry","2024","22","18","3615","3621","10.1039/d4ob00391h","","","0.71073","MoKα","","0.0334","0.0314","","","0.0796","0.0815","","","","","","1.038","","","","has coordinates","293268","2024-07-05","17:59:13",""
"7159889","8.15719","0.00007","16.7171","0.00015","12.13404","0.00008","90","","92.339","0.0007","90","","1653.27","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Br N O3 -","- C19 H18 Br N O3 -","- C76 H72 Br4 N4 O12 -","4","1","","Lukoyanov, Alexander A.; Aksenova, Svetlana A.; Tabolin, Andrey A.; Sukhorukov, Alexey Yu","3-Halo-5,6-dihydro-4<i>H</i>-1,2-oxazine <i>N</i>-oxides as synthetic equivalents of unsaturated nitrile oxides in the [3 + 2]-cycloaddition with arynes: synthesis of substituted 3-vinyl-1,2-benzisoxazoles.","Organic & biomolecular chemistry","2024","22","18","3615","3621","10.1039/d4ob00391h","","x-ray","1.54184","CuKα","","0.034","0.0337","","","0.0908","0.091","","","","","","1.097","","","","has coordinates","293268","2024-07-05","17:59:14",""
"7159890","6.0794","0.0002","13.0587","0.0004","17.7262","0.0006","90","","90","","90","","1407.27","0.08","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Barik, Rasmita; Nanda, Samik","Asymmetric total synthesis of humulane sesquiterpenoids alashanoids B, C, E, and F and 2,9-humuladien-6-ol-8-one.","Organic & biomolecular chemistry","2024","22","22","4478","4487","10.1039/d4ob00393d","","x-ray","0.71073","MoKα","","0.0553","0.0463","","","0.0543","0.0552","","","","2.68","2.68","2.51","","","","has coordinates","293238","2024-07-05","17:53:58",""
"7159891","9.7763","0.0012","14.2275","0.0014","12.0706","0.0016","90","","107.436","0.014","90","","1601.8","0.4","297.6","0.6","297.6","0.6","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H26 O3 -","- C16 H26 O3 -","- C64 H104 O12 -","4","2","","Barik, Rasmita; Nanda, Samik","Asymmetric total synthesis of humulane sesquiterpenoids alashanoids B, C, E, and F and 2,9-humuladien-6-ol-8-one.","Organic & biomolecular chemistry","2024","22","22","4478","4487","10.1039/d4ob00393d","","x-ray","0.71073","MoKα","","0.4427","0.164","","","0.3375","0.4664","","","","","","0.994","","","","has coordinates","293238","2024-07-05","17:53:58",""
"7159892","13.672","0.0011","11.8313","0.0009","17.7342","0.0012","90","","103.345","0.003","90","","2791.2","0.4","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 Cl N2 O -","- C34 H29 Cl N2 O -","- C136 H116 Cl4 N8 O4 -","4","1","","Pari, Keerthana; Fazlur-Rahman, Nawaz Khan","Copper-catalyzed dehydrogenative cyclization/alkenylation towards dihydroquinolinones.","Organic & biomolecular chemistry","2024","22","20","4163","4171","10.1039/d4ob00134f","","","0.71073","MoKα","","0.1192","0.0549","","","0.1147","0.1524","","","","","","1.03","","","","has coordinates","293260","2024-07-05","17:57:42",""
"7159893","3.62939","0.00006","17.4327","0.0003","10.06875","0.00017","90","","99.9049","0.0016","90","","627.555","0.019","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6.18 N3 O2.59 -","- C5 H6.1808 N3 O2.5904 -","- C20 H24.7232 N12 O10.3616 -","4","1","","Gerasimova, Tatiana P.; Zagidullin, Almaz A.; Nikolaeva, Anastasiia N.; Fayzullin, Robert R.; Saitova, Aliya M.; Miluykov, Vasili A.; Grimme, Stefan; Katsyuba, Sergey A.","Structural flexibility of favipiravir and its structural analogues in solutions: experimental and computational insight.","Organic & biomolecular chemistry","2024","22","18","3668","3683","10.1039/d4ob00404c","","x-ray","1.54184","CuKα","","0.0383","0.0382","","","0.1058","0.1059","","","","","","1.061","","","","has coordinates,has disorder","293266","2024-07-05","17:58:59",""
"7159894","11.6092","0.0005","15.2706","0.0007","15.2983","0.0007","90","","102.064","0.001","90","","2652.2","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H8 N4 O4 -","- C7 H8 N4 O4 -","- C84 H96 N48 O48 -","12","6","","Gerasimova, Tatiana P.; Zagidullin, Almaz A.; Nikolaeva, Anastasiia N.; Fayzullin, Robert R.; Saitova, Aliya M.; Miluykov, Vasili A.; Grimme, Stefan; Katsyuba, Sergey A.","Structural flexibility of favipiravir and its structural analogues in solutions: experimental and computational insight.","Organic & biomolecular chemistry","2024","22","18","3668","3683","10.1039/d4ob00404c","","x-ray","0.71073","MoKα","","0.0677","0.0509","","","0.1269","0.1401","","","","","","1.044","","","","has coordinates","293266","2024-07-05","17:58:59",""
"7159895","8.1404","0.0003","8.4811","0.0004","9.2843","0.0004","86.9918","0.0011","85.9992","0.0011","68.7003","0.001","595.49","0.04","162","2","162","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H10 K N5 O5 -","- C8 H10 K N5 O5 -","- C16 H20 K2 N10 O10 -","2","1","","Gerasimova, Tatiana P.; Zagidullin, Almaz A.; Nikolaeva, Anastasiia N.; Fayzullin, Robert R.; Saitova, Aliya M.; Miluykov, Vasili A.; Grimme, Stefan; Katsyuba, Sergey A.","Structural flexibility of favipiravir and its structural analogues in solutions: experimental and computational insight.","Organic & biomolecular chemistry","2024","22","18","3668","3683","10.1039/d4ob00404c","","x-ray","0.71073","MoKα","","0.0446","0.0315","","","0.075","0.0808","","","","","","1.045","","","","has coordinates","293266","2024-07-05","17:58:59",""
"7159896","13.2329","0.0018","9.328","0.0011","19.219","0.003","90","","102.019","0.005","90","","2320.3","0.6","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 N2 -","- C31 H26 N2 -","- C124 H104 N8 -","4","1","","Yaragorla, Srinivasarao; Khan, Tabassum; Chakroborty, Sayonika","Cu(OTf)<sub>2</sub>/HFIP catalyzed regioselective cycloisomerization of indole-C3-functionalized alkynols to carbazoles.","Organic & biomolecular chemistry","2024","22","18","3622","3629","10.1039/d4ob00421c","","","0.71073","MoKα","","0.0952","0.0794","","","0.2235","0.2386","","","","","","1.034","","","","has coordinates","293262","2024-07-05","17:58:18",""
"7159897","9.6614","0.0012","12.3016","0.0017","12.4047","0.0016","66.465","0.004","77.764","0.005","82.339","0.005","1319","0.3","298","2","298","","","","","","","","","3","P -1","-P 1","2","","","","- C37 H27 N -","- C37 H27 N -","- C74 H54 N2 -","2","1","","Yaragorla, Srinivasarao; Khan, Tabassum; Chakroborty, Sayonika","Cu(OTf)<sub>2</sub>/HFIP catalyzed regioselective cycloisomerization of indole-C3-functionalized alkynols to carbazoles.","Organic & biomolecular chemistry","2024","22","18","3622","3629","10.1039/d4ob00421c","","","0.71073","MoKα","","0.1829","0.104","","","0.2546","0.2919","","","","","","0.97","","","","has coordinates","293262","2024-07-05","17:58:18",""
"7159898","10.7077","0.0008","9.2729","0.0007","25.954","0.002","90","","98.298","0.003","90","","2550","0.3","298","2","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C35 H28 N2 -","- C35 H28 N2 -","- C140 H112 N8 -","4","1","","Yaragorla, Srinivasarao; Khan, Tabassum; Chakroborty, Sayonika","Cu(OTf)<sub>2</sub>/HFIP catalyzed regioselective cycloisomerization of indole-C3-functionalized alkynols to carbazoles.","Organic & biomolecular chemistry","2024","22","18","3622","3629","10.1039/d4ob00421c","","","0.71073","MoKα","","0.0667","0.0514","","","0.1382","0.1462","","","","","","1.064","","","","has coordinates","293262","2024-07-05","17:58:18",""
"7159899","3.7249","0.0002","9.6327","0.0004","12.9466","0.0005","90","","92.843","0.003","90","","463.96","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","3-hydroxyphenazin-2(10H)-one","","- C12 H8 N2 O2 -","- C12 H8 N2 O2 -","- C24 H16 N4 O4 -","2","1","","Ohira, Kazuki; Kozuka, Kumpei; Kaneda, Naoki; Yamamoto, Masahiro; Imato, Keiichi; Ooyama, Yousuke","Photochromism of phenazine-2,3-diol derivatives through excited state intermolecular proton transfer based on keto-enol tautomerization.","Organic & biomolecular chemistry","2024","22","20","4077","4088","10.1039/d4ob00387j","","x-ray","0.71073","MoKα","","0.0384","0.0349","","","0.0981","0.0999","","","","","","1.11","","","","has coordinates","293261","2024-07-05","17:57:53",""
"7159900","3.7817","0.0002","9.718","0.0006","12.9407","0.0006","90","","92.15","0.005","90","","475.24","0.04","299.5","0.18","299.5","0.18","","","","","","","","4","P 1 21 1","P 2yb","4","","3-hydroxyphenazin-2(10H)-one","","- C12 H8 N2 O2 -","- C12 H8 N2 O2 -","- C24 H16 N4 O4 -","2","1","","Ohira, Kazuki; Kozuka, Kumpei; Kaneda, Naoki; Yamamoto, Masahiro; Imato, Keiichi; Ooyama, Yousuke","Photochromism of phenazine-2,3-diol derivatives through excited state intermolecular proton transfer based on keto-enol tautomerization.","Organic & biomolecular chemistry","2024","22","20","4077","4088","10.1039/d4ob00387j","","x-ray","0.71073","MoKα","","0.0688","0.0466","","","0.1192","0.1294","","","","","","1.043","","","","has coordinates","293261","2024-07-05","17:57:54",""
"7159901","23.4299","0.0013","4.904","0.0002","23.6545","0.0014","90","","115.944","0.007","90","","2444","0.3","299.68","0.16","299.68","0.16","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(methoxymethoxy)phenazin-2-ol","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C112 H96 N16 O24 -","8","2","","Ohira, Kazuki; Kozuka, Kumpei; Kaneda, Naoki; Yamamoto, Masahiro; Imato, Keiichi; Ooyama, Yousuke","Photochromism of phenazine-2,3-diol derivatives through excited state intermolecular proton transfer based on keto-enol tautomerization.","Organic & biomolecular chemistry","2024","22","20","4077","4088","10.1039/d4ob00387j","","x-ray","0.71073","MoKα","","0.1106","0.049","","","0.1105","0.1313","","","","","","1.003","","","","has coordinates","293261","2024-07-05","17:57:54",""
"7159902","23.2329","0.001","4.8344","0.0002","23.5477","0.0011","90","","116.157","0.006","90","","2374","0.2","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(methoxymethoxy)phenazin-2-ol","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C112 H96 N16 O24 -","8","2","","Ohira, Kazuki; Kozuka, Kumpei; Kaneda, Naoki; Yamamoto, Masahiro; Imato, Keiichi; Ooyama, Yousuke","Photochromism of phenazine-2,3-diol derivatives through excited state intermolecular proton transfer based on keto-enol tautomerization.","Organic & biomolecular chemistry","2024","22","20","4077","4088","10.1039/d4ob00387j","","x-ray","0.71073","MoKα","","0.061","0.0425","","","0.1011","0.1078","","","","","","1.061","","","","has coordinates","293261","2024-07-05","17:57:54",""
"7159903","11.812","0.002","15.31","0.003","11.343","0.002","90","","112.195","0.005","90","","1899.3","0.6","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Br Cl2 N O2 S -","- C18 H18 Br Cl2 N O2 S -","- C72 H72 Br4 Cl8 N4 O8 S4 -","4","1","","Bora, Surjya Kumar; Biswas, Subhamoy; Behera, Bipin Kumar; Saikia, Anil K.","Stereoselective synthesis of <i>gem</i>-dihalopiperidines <i>via</i> the halo-aza-Prins cyclization reaction: access to piperidin-4-ones and pyridines.","Organic & biomolecular chemistry","2024","22","19","3893","3903","10.1039/d4ob00338a","","","0.71073","MoKα","","0.0746","0.0596","","","0.1888","0.207","","","","","","1.071","","","","has coordinates","293246","2024-07-05","17:55:44",""
"7159904","25.82","0.0006","6.09696","0.00014","12.748","0.0003","90","","94.7721","0.0017","90","","1999.88","0.08","93","","93","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C88 H80 N16 O16 -","8","1","","Arai, Shigeru; Nakazawa, Koichi; Yang, Xiao-Fei; Nakajima, Masaya; Harada, Shinji; Nishida, Atsushi","Nickel-catalysed regio- and stereoselective hydrocyanation of alkynoates and its mechanistic insights proposed by DFT calculations.","Organic & biomolecular chemistry","2024","22","18","3606","3610","10.1039/d4ob00380b","","","1.54187","CuKα","","","0.0425","","","","0.1085","","","","","","1.027","","","","has coordinates","293267","2024-07-05","17:59:05",""
"7159905","16.591","0.01","7.19","0.004","15.695","0.009","90","","93.373","0.017","90","","1869","1.9","297","2","297","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H15 Cl O2 -","- C25 H15 Cl O2 -","- C100 H60 Cl4 O8 -","4","1","","Jaiswal, Gaurav; Pan, Subhas Chandra","BBr<sub>3</sub>-mediated dearomative spirocyclization of biaryl ynones: facile access to spiro[5.5]dienones.","Organic & biomolecular chemistry","2024","22","18","3602","3605","10.1039/d4ob00274a","","","0.71073","MoKα","","0.0576","0.0432","","","0.091","0.1019","","","","","","1.05","","","","has coordinates","293271","2024-07-05","17:59:34",""
"7159906","9.459","0.004","18.5","0.007","11.372","0.004","90","","114.575","0.012","90","","1809.7","1.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4,6-diphenyl-3-(p-tolyl)-2H-pyran-2-one","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Nguyen, Cao Nguyen; Nguyen, Duc Toan; Tran, Ha An; Mac, Dinh Hung; Nguyen, Thi Thu Tram; Retailleau, Pascal; Nguyen, Thanh Binh","Base- and sulfur-promoted oxidative lactonization of chalcone-acetate Michael adducts: access to pyran-2-ones.","Organic & biomolecular chemistry","2024","22","19","3871","3875","10.1039/d4ob00479e","","","1.54187","CuKα","","0.0944","0.064","","","0.1492","0.1895","","","","","","1.023","","","","has coordinates","293249","2024-07-05","17:56:18",""
"7159907","4.788","0.0012","10.509","0.003","16.019","0.004","90.169","0.003","91.422","0.003","90.026","0.003","805.8","0.4","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H13 F3 N2 O S -","- C18 H13 F3 N2 O S -","- C36 H26 F6 N4 O2 S2 -","2","1","","Wang, Si-Yu; Liu, Chu; Yang, Wei; Tian, Zhong-Ying; Yuan, Lin; Xie, Long-Yong","Efficient synthesis of SCF<sub>3</sub>-containing 3-alkenylquinoxalinones <i>via</i> three-component radical cascade reaction.","Organic & biomolecular chemistry","2024","22","18","3740","3745","10.1039/d4ob00363b","","","0.71073","MoKα","","0.0582","0.0449","","","0.1232","0.134","","","","","","1.052","","","","has coordinates","293269","2024-07-05","17:59:20",""
"7159908","7.965","0.003","12.839","0.004","18.595","0.006","90","","90","","90","","1901.6","1.1","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H16 O6 -","- C25 H16 O6 -","- C100 H64 O24 -","4","1","","Beck, Pedro S.; Leitão, Arthur G; Santana, Yasmin B.; Correa, José R; Rodrigues, Carime V. S.; Machado, Daniel F. S.; Matos, Guilherme D. R.; Ramos, Luciana M.; Gatto, Claudia C.; Oliveira, Sarah C. C.; Andrade, Carlos K. Z.; Neto, Brenno A. D.","Revisiting Biginelli-like reactions: solvent effects, mechanisms, biological applications and correction of several literature reports.","Organic & biomolecular chemistry","2024","22","18","3630","3651","10.1039/d4ob00272e","","","0.71073","MoKα","","0.0865","0.0441","","","0.0894","0.1036","","","","","","0.884","","","","has coordinates","293264","2024-07-05","17:58:39",""
"7159909","13.7999","0.0004","15.4016","0.0004","27.5518","0.0008","87.085","0.002","81.887","0.002","82.628","0.002","5746.1","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H27 Br N2 O4 S2 -","- C31 H27 Br N2 O4 S2 -","- C248 H216 Br8 N16 O32 S16 -","8","4","","Khan, Salman; Chatterjee, Abhradeep; Nair, Akshay M.; Volla, Chandra M. R.","A highly diastereoselective one-pot Ugi/radical spirocyclization/aza-Michael addition sequence.","Organic & biomolecular chemistry","2024","22","19","3887","3892","10.1039/d4ob00610k","","x-ray","0.71073","MoKα","","0.1215","0.0811","","","0.212","0.2553","","","","","","1.037","","","","has coordinates","296876","2024-12-16","17:34:44",""
"7159910","13.093","0.0001","19.0071","0.0002","8.6034","0.0001","90","","104.253","0.001","90","","2075.14","0.04","301.54","0.1","301.54","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 F2 N O3 S2 -","- C23 H17 F2 N O3 S2 -","- C92 H68 F8 N4 O12 S8 -","4","1","","Li, Xuemin; Shi, Haofeng; He, Jiaxin; Wu, Jialiang; Sun, Fengxia; Du, Yunfei","Synthesis of deuteriodifluoromethylthiolated isocoumarins-1-imines and isocoumarins enabled by multi-component reagents system (MCRS).","Organic & biomolecular chemistry","2024","22","19","3882","3886","10.1039/d4ob00328d","","x-ray","1.54184","CuKα","","0.077","0.0722","","","0.2244","0.2296","","","","","","1.09","","","","has coordinates","293248","2024-07-05","17:56:03",""
"7159911","9.56","0.0008","17.5287","0.0018","9.6337","0.001","90","","100.077","0.002","90","","1589.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-Amino-benzoic acid 2-chloro-6-methyl-quinolin-3-ylmethyl ester","2-Amino-benzoic acid 2-chloro-6-methyl-quinolin-3-ylmethyl ester","","- C18 H15 Cl N2 O2 -","- C18 H15 Cl N2 O2 -","- C72 H60 Cl4 N8 O8 -","4","1","","Siddique, Sidra; Hussain, Khalid; Shehzadi, Naureen; Arshad, Muhammad; Arshad, Muhammad Nadeem; Iftikhar, Sadaf; Saghir, Farhat; Shaukat, Ayisha; Sarfraz, Muhammad; Ahmed, Nisar","Design, synthesis, biological evaluation and molecular docking studies of quinoline-anthranilic acid hybrids as potent anti-inflammatory drugs.","Organic & biomolecular chemistry","2024","22","18","3708","3724","10.1039/d4ob00040d","","","0.71073","MoKα","","0.1448","0.0727","","","0.1909","0.235","","","","","","1.074","","","","has coordinates","293263","2024-07-05","17:58:31",""
"7159912","10.5689","0.0015","10.5689","0.0015","8.3975","0.0017","90","","90","","120","","812.3","0.2","100","2","100","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C9 H18 B N -","- C9 H18 B N -","- C27 H54 B3 N3 -","3","0.333333","","Alexeev, Michael S.; Strelkova, Tatiana V.; Ilyin, Michael M.; Nelyubina, Yulia V.; Bespalov, Ivan A.; Medvedev, Michael G.; Khrustalev, Victor N.; Kuznetsov, Nikolai Yu","Amine adducts of triallylborane as highly reactive allylborating agents for Cu(I)-catalyzed allylation of chiral sulfinylimines.","Organic & biomolecular chemistry","2024","22","23","4680","4696","10.1039/d4ob00291a","","","0.9699","synchrotron","","0.1009","0.0721","","","0.161","0.1861","","","","","","0.871","","","","has coordinates","293275","2024-07-05","18:00:17",""
"7159913","8.6952","0.0002","10.1193","0.0002","17.1397","0.0004","90","","90","","90","","1508.11","0.06","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H27 B N2 -","- C15 H27 B N2 -","- C60 H108 B4 N8 -","4","1","","Alexeev, Michael S.; Strelkova, Tatiana V.; Ilyin, Michael M.; Nelyubina, Yulia V.; Bespalov, Ivan A.; Medvedev, Michael G.; Khrustalev, Victor N.; Kuznetsov, Nikolai Yu","Amine adducts of triallylborane as highly reactive allylborating agents for Cu(I)-catalyzed allylation of chiral sulfinylimines.","Organic & biomolecular chemistry","2024","22","23","4680","4696","10.1039/d4ob00291a","","","0.71073","MoKα","","0.0557","0.0485","","","0.1193","0.124","","","","","","1.045","","","","has coordinates,has disorder","293275","2024-07-05","18:00:17",""
"7159914","10.7916","0.0004","6.2242","0.0002","11.7768","0.0004","90","","108.897","0.002","90","","748.4","0.05","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H22 N2 O S -","- C14 H22 N2 O S -","- C28 H44 N4 O2 S2 -","2","1","","Alexeev, Michael S.; Strelkova, Tatiana V.; Ilyin, Michael M.; Nelyubina, Yulia V.; Bespalov, Ivan A.; Medvedev, Michael G.; Khrustalev, Victor N.; Kuznetsov, Nikolai Yu","Amine adducts of triallylborane as highly reactive allylborating agents for Cu(I)-catalyzed allylation of chiral sulfinylimines.","Organic & biomolecular chemistry","2024","22","23","4680","4696","10.1039/d4ob00291a","","","0.71073","MoKα","","0.0347","0.0316","","","0.075","0.0767","","","","","","1.039","","","","has coordinates","293275","2024-07-05","18:00:17",""
"7159915","22.02359","0.00016","9.06591","0.00006","18.14329","0.0001","90","","90","","90","","3622.56","0.04","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C40 H40 B Cu F2 O2 P2 -","- C40 H40 B Cu F2 O2 P2 -","- C160 H160 B4 Cu4 F8 O8 P8 -","4","1","","Alexeev, Michael S.; Strelkova, Tatiana V.; Ilyin, Michael M.; Nelyubina, Yulia V.; Bespalov, Ivan A.; Medvedev, Michael G.; Khrustalev, Victor N.; Kuznetsov, Nikolai Yu","Amine adducts of triallylborane as highly reactive allylborating agents for Cu(I)-catalyzed allylation of chiral sulfinylimines.","Organic & biomolecular chemistry","2024","22","23","4680","4696","10.1039/d4ob00291a","","","1.54184","CuKα","","0.0278","0.0275","","","0.0738","0.0741","","","","","","1.032","","","","has coordinates","293275","2024-07-05","18:00:17",""
"7159916","14.0344","0.0003","18.8088","0.0003","18.9839","0.0004","90","","90.5447","0.0019","90","","5010.96","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H48 B Cu F4 P4 -","- C52 H48 B Cu F4 P4 -","- C208 H192 B4 Cu4 F16 P16 -","4","1","","Alexeev, Michael S.; Strelkova, Tatiana V.; Ilyin, Michael M.; Nelyubina, Yulia V.; Bespalov, Ivan A.; Medvedev, Michael G.; Khrustalev, Victor N.; Kuznetsov, Nikolai Yu","Amine adducts of triallylborane as highly reactive allylborating agents for Cu(I)-catalyzed allylation of chiral sulfinylimines.","Organic & biomolecular chemistry","2024","22","23","4680","4696","10.1039/d4ob00291a","","","1.54184","CuKα","","0.1466","0.1164","","","0.2282","0.247","","","","","","1.031","","","","has coordinates","293275","2024-07-05","18:00:17",""
"7159917","9.392","0.0001","12.6535","0.0002","14.9156","0.0002","90","","102.255","0.002","90","","1732.2","0.04","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 Ca N2 O S -","- C19 H15 Ca N2 O S -","- C76 H60 Ca4 N8 O4 S4 -","4","1","","Wang, Qing; Shao, Chukai; Hua, Ruirui; Yin, Hongquan; Chen, Fu-Xue","Me<sub>3</sub>SiBr-promoted cascade electrophilic thiocyanation/cyclization of <i>ortho</i>-alkynylanilines to synthesize indole derivatives.","Organic & biomolecular chemistry","2024","22","20","4031","4035","10.1039/d4ob00367e","","","1.54184","CuKα","","0.0834","0.0788","","","0.2472","0.2539","","","","","","1.081","","","","has coordinates","293256","2024-07-05","17:57:12",""
"7159918","20.5567","0.0002","11.19093","0.00014","9.50595","0.00012","90","","90","","90","","2186.83","0.04","100","0.1","100","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C28 H18 Cl F O3 S -","- C28 H18 Cl F O3 S -","- C112 H72 Cl4 F4 O12 S4 -","4","1","","Roy, Barnali; Kuila, Puspendu; Jha, Sangam; Sarkar, Debayan","BF<sub>3</sub>·Et<sub>2</sub>O-assisted synthesis of sulfinylated spiro[5.5]trienones from biaryl ynones.","Organic & biomolecular chemistry","2024","22","21","4292","4296","10.1039/d3ob02010j","","x-ray","1.54184","CuKα","","0.0447","0.0435","","","0.1241","0.1261","","","","","","1.0452","","","","has coordinates","293286","2024-07-05","18:02:17",""
"7159919","10.85251","0.00018","9.76803","0.00017","20.3019","0.0003","90","","99.4241","0.0017","90","","2123.11","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H17 F O3 S -","- C27 H17 F O3 S -","- C108 H68 F4 O12 S4 -","4","1","","Roy, Barnali; Kuila, Puspendu; Jha, Sangam; Sarkar, Debayan","BF<sub>3</sub>·Et<sub>2</sub>O-assisted synthesis of sulfinylated spiro[5.5]trienones from biaryl ynones.","Organic & biomolecular chemistry","2024","22","21","4292","4296","10.1039/d3ob02010j","","x-ray","1.54184","CuKα","","0.0637","0.0587","","","0.1719","0.1771","","","","","","1.078","","","","has coordinates","293286","2024-07-05","18:02:17",""
"7159920","11.0543","0.0016","7.6061","0.0011","18.348","0.003","90","","97.582","0.003","90","","1529.2","0.4","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H16 N4 -","- C18 H16 N4 -","- C72 H64 N16 -","4","2","","Gallardo-Rosas, D; Guevara-Vela, J M; Rocha-Rinza, T; Toscano, R. A.; López-Cortés, J G; Ortega-Alfaro, M C","Structure and isomerization behavior relationships of new push-pull azo-pyrrole photoswitches.","Organic & biomolecular chemistry","2024","22","20","4123","4134","10.1039/d4ob00417e","","","0.71073","MoKα","","0.1416","0.0604","","","0.1182","0.1567","","","","","","0.998","","","","has coordinates","293258","2024-07-05","17:57:26",""
"7159921","20.4669","0.0003","8.1277","0.0001","21.7889","0.0004","90","","90","","90","","3624.56","0.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H15 N O4 -","- C24 H15 N O4 -","- C192 H120 N8 O32 -","8","1","","Kumar Yadav, Anup; Yadav, Dhananjay; Kumar, Vipin; Ray, Subhasish; Singh, Maya Shankar","PIDA-promoted metal-free [3 + 2] heteroannulation of β-ketothioamides with 4-hydroxy coumarins: chemo-/regioselective access to furo[3,2-<i>c</i>]chromen-4-ones at room temperature.","Organic & biomolecular chemistry","2024","22","21","4326","4331","10.1039/d4ob00438h","","x-ray","1.54184","CuKα","","0.0538","0.0413","","","0.1101","0.119","","","","","","1.038","","","","has coordinates","293280","2024-07-05","18:01:15",""
"7159922","11.5055","0.0005","22.2353","0.0008","8.1847","0.0004","90","","107.478","0.005","90","","1997.21","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N O4 -","- C26 H19 N O4 -","- C104 H76 N4 O16 -","4","1","","Kumar Yadav, Anup; Yadav, Dhananjay; Kumar, Vipin; Ray, Subhasish; Singh, Maya Shankar","PIDA-promoted metal-free [3 + 2] heteroannulation of β-ketothioamides with 4-hydroxy coumarins: chemo-/regioselective access to furo[3,2-<i>c</i>]chromen-4-ones at room temperature.","Organic & biomolecular chemistry","2024","22","21","4326","4331","10.1039/d4ob00438h","","x-ray","1.54184","CuKα","","0.1524","0.097","","","0.2593","0.3435","","","","","","1.015","","","","has coordinates","293280","2024-07-05","18:01:15",""
"7159923","6.1921","0.0006","11.958","0.0015","32.979","0.004","90","","91.359","0.01","90","","2441.2","0.5","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 N2 O4 -","- C28 H28 N2 O4 -","- C112 H112 N8 O16 -","4","1","","Liu, Yan; Yang, Qin; Wang, Wei; Fu, Yang; Ding, Qiuping; Peng, Yiyuan","Visible-light-induced three-component reactions of α-diazoesters, quinazolinones and cyclic ethers toward quinazoline-based hybrids.","Organic & biomolecular chemistry","2024","22","21","4332","4346","10.1039/d4ob00295d","","x-ray","0.71073","MoKα","","0.17","0.1175","","","0.2527","0.2823","","","","","","1.072","","","","has coordinates","293285","2024-07-05","18:02:00",""
"7159924","12.5878","0.0004","9.5702","0.0003","21.3754","0.0006","90","","90","","90","","2575.05","0.14","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H9 N3 O -","- C16 H9 N3 O -","- C128 H72 N24 O8 -","8","1","","Feng, Heng; Huo, Jie; Mu, Xiaonan; Zheng, Renhua; Geng, Xiao; Wang, Lei","BPO-promoted [4 + 2] cyclization of enaminones and <i>o</i>-phenylenediamines to 2-acyl quinoxalines <i>via</i> a cascade transamination and C-H amination.","Organic & biomolecular chemistry","2024","22","20","4067","4071","10.1039/d4ob00494a","","","1.54178","CuKα","","0.0427","0.035","","","0.0972","0.1004","","","","","","1.069","","","","has coordinates","293257","2024-07-05","17:57:18",""
"7159925","5.5136","0.0004","7.5778","0.0006","11.5822","0.0009","78.459","0.001","82.801","0.002","77.467","0.001","461.13","0.06","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C9 H12 O4 -","- C9 H12 O4 -","- C18 H24 O8 -","2","2","","Li, Xiao-Dong; Li, Xiao-Ming; Wang, Bin-Gui; Li, Xin","Antimicrobial sesterterpenoids with a unique 5/8/6/5 tetracyclic carbon-ring-system and diepoxide polyketides from a deep sea-sediment-sourced fungus <i>Chaetomium globosum</i> SD-347.","Organic & biomolecular chemistry","2024","22","19","3979","3985","10.1039/d4ob00449c","","","1.54178","CuKα","","0.1001","0.0688","","","0.1576","0.1778","","","","","","1.053","","","","has coordinates","293247","2024-07-05","17:55:54",""
"7159926","8.005","","10.685","","26.893","","90","","90","","90","","2300.25","","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H42 O3 -","- C25 H42 O3 -","- C100 H168 O12 -","4","1","","Li, Xiao-Dong; Li, Xiao-Ming; Wang, Bin-Gui; Li, Xin","Antimicrobial sesterterpenoids with a unique 5/8/6/5 tetracyclic carbon-ring-system and diepoxide polyketides from a deep sea-sediment-sourced fungus <i>Chaetomium globosum</i> SD-347.","Organic & biomolecular chemistry","2024","22","19","3979","3985","10.1039/d4ob00449c","","","1.54178","CuKα","","0.09","0.0867","","","0.25","0.2563","","","","","","1.066","","","","has coordinates","293247","2024-07-05","17:55:54",""
"7159927","7.9393","0.0003","12.0041","0.0005","12.3904","0.0005","86.79","0.002","89.802","0.002","73.896","0.002","1132.65","0.08","295","2","295","2","","","","","","","","3","P 1","P 1","1","","","","- C25 H42 O3 -","- C25 H42 O3 -","- C50 H84 O6 -","2","2","","Li, Xiao-Dong; Li, Xiao-Ming; Wang, Bin-Gui; Li, Xin","Antimicrobial sesterterpenoids with a unique 5/8/6/5 tetracyclic carbon-ring-system and diepoxide polyketides from a deep sea-sediment-sourced fungus <i>Chaetomium globosum</i> SD-347.","Organic & biomolecular chemistry","2024","22","19","3979","3985","10.1039/d4ob00449c","","","1.54178","CuKα","","0.083","0.0701","","","0.232","0.2412","","","","","","1.087","","","","has coordinates","293247","2024-07-05","17:55:54",""
"7159928","9.6026","0.0003","10.9032","0.0003","15.9038","0.0005","80.907","0.003","89.846","0.002","80.988","0.002","1623.48","0.09","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 I N O2 -","- C16 H22 I N O2 -","- C64 H88 I4 N4 O8 -","4","2","","François, Jordan; Jacolot, Maïwenn; Popowycz, Florence","Borrowing hydrogen <i>C</i>-alkylation with secondary saturated heterocyclic alcohols.","Organic & biomolecular chemistry","2024","22","22","4502","4507","10.1039/d4ob00543k","","x-ray","1.54184","CuKα","","0.0634","0.0565","","","0.1498","0.1555","","","","","","1.04","","","","has coordinates","293239","2024-07-05","17:54:12",""
"7159929","8.0358","0.0003","10.9125","0.0004","12.2549","0.0005","90","","90.715","0.001","90","","1074.56","0.07","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 N O4 -","- C24 H25 N O4 -","- C48 H50 N2 O8 -","2","1","","You, Pengyuan; Liu, Minjie; Zhang, Ke; Yang, Fan; Tan, Zequn; Chen, Fener","Highly enantio- and diastereoselective construction of spirocyclic oxindoles <i>via</i> a palladium-catalyzed decarboxylative asymmetric [4 + 2] annulation strategy.","Organic & biomolecular chemistry","2024","22","22","4466","4471","10.1039/d4ob00518j","","","1.34139","GaKα","","0.0305","0.0295","","","0.078","0.0793","","","","","","1.059","","","","has coordinates,has disorder","293237","2024-07-05","17:53:40",""
"7159930","28.6642","0.0005","8.551","0.0002","17.5757","0.0003","90","","116.701","0.001","90","","3848.55","0.13","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H21 N3 O2 -","- C23 H21 N3 O2 -","- C184 H168 N24 O16 -","8","1","","Uvarova, Ekaterina S.; Kutasevich, Anton V.; Lipatov, Egor S.; Pytskii, Ivan S.; Raitman, Oleg A.; Selivantev, Yuriy M.; Mityanov, Vitaly S.","Three-component cascade reaction of 3-ketonitriles, 2-unsubstituted imidazole <i>N</i>-oxides, and aldehydes.","Organic & biomolecular chemistry","2024","22","21","4297","4308","10.1039/d4ob00353e","","","0.71073","MoKα","","0.054","0.0434","","","0.1075","0.1151","","","","","","1.03","","","","has coordinates","293284","2024-07-05","18:01:47",""
"7159931","13.8855","0.0002","10.0424","0.0002","29.2647","0.0005","90","","90","","90","","4080.78","0.12","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H18 Cl2 N3 O2 -","- C22 H18 Cl2 N3 O2 -","- C176 H144 Cl16 N24 O16 -","8","1","","Uvarova, Ekaterina S.; Kutasevich, Anton V.; Lipatov, Egor S.; Pytskii, Ivan S.; Raitman, Oleg A.; Selivantev, Yuriy M.; Mityanov, Vitaly S.","Three-component cascade reaction of 3-ketonitriles, 2-unsubstituted imidazole <i>N</i>-oxides, and aldehydes.","Organic & biomolecular chemistry","2024","22","21","4297","4308","10.1039/d4ob00353e","","","0.71073","MoKα","","0.0453","0.0354","","","0.0888","0.0951","","","","","","1.024","","","","has coordinates","293284","2024-07-05","18:01:48",""
"7159932","13.4764","0.0002","8.598","0.0002","17.6336","0.0003","90","","100.61","0.001","90","","2008.27","0.07","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N3 O S -","- C23 H21 N3 O S -","- C92 H84 N12 O4 S4 -","4","1","","Uvarova, Ekaterina S.; Kutasevich, Anton V.; Lipatov, Egor S.; Pytskii, Ivan S.; Raitman, Oleg A.; Selivantev, Yuriy M.; Mityanov, Vitaly S.","Three-component cascade reaction of 3-ketonitriles, 2-unsubstituted imidazole <i>N</i>-oxides, and aldehydes.","Organic & biomolecular chemistry","2024","22","21","4297","4308","10.1039/d4ob00353e","","","0.71073","MoKα","","0.0575","0.0478","","","0.1191","0.1258","","","","","","1.048","","","","has coordinates","293284","2024-07-05","18:01:48",""
"7159933","10.6494","0.0003","10.3451","0.0003","21.0786","0.0006","90","","98.471","0.001","90","","2296.88","0.11","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 N4 O4 -","- C26 H25 N4 O4 -","- C104 H100 N16 O16 -","4","1","","Uvarova, Ekaterina S.; Kutasevich, Anton V.; Lipatov, Egor S.; Pytskii, Ivan S.; Raitman, Oleg A.; Selivantev, Yuriy M.; Mityanov, Vitaly S.","Three-component cascade reaction of 3-ketonitriles, 2-unsubstituted imidazole <i>N</i>-oxides, and aldehydes.","Organic & biomolecular chemistry","2024","22","21","4297","4308","10.1039/d4ob00353e","","","0.71073","MoKα","","0.0752","0.0515","","","0.1185","0.1324","","","","","","1.053","","","","has coordinates,has disorder","293284","2024-07-05","18:01:48",""
"7159934","7.8953","0.0002","10.688","0.0002","10.9838","0.0002","68.919","0.002","77.025","0.002","82.949","0.002","841.85","0.03","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 F2 N2 O6 -","- C18 H12 F2 N2 O6 -","- C36 H24 F4 N4 O12 -","2","1","","Chang, Meng-Yang; Ho, Chin-Huey; Chen, Hsing-Yin","K<sub>2</sub>CO<sub>3</sub>-mediated annulation of 1,3-acetonedicarboxylates with 2-fluoro-1-nitroarenes: synthesis of indoles.","Organic & biomolecular chemistry","2024","22","20","4108","4122","10.1039/d4ob00488d","","x-ray","0.71073","MoKα","","0.0456","0.0389","","","0.0995","0.1035","","","","","","1.068","","","","has coordinates","293259","2024-07-05","17:57:35",""
"7159935","7.4292","0.0003","16.5544","0.0008","12.3299","0.0005","90","","96.297","0.004","90","","1507.26","0.11","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 Br Cl N O4 -","- C14 H13 Br Cl N O4 -","- C56 H52 Br4 Cl4 N4 O16 -","4","1","","Chang, Meng-Yang; Ho, Chin-Huey; Chen, Hsing-Yin","K<sub>2</sub>CO<sub>3</sub>-mediated annulation of 1,3-acetonedicarboxylates with 2-fluoro-1-nitroarenes: synthesis of indoles.","Organic & biomolecular chemistry","2024","22","20","4108","4122","10.1039/d4ob00488d","","x-ray","0.71073","MoKα","","0.0478","0.0387","","","0.0854","0.0884","","","","","","1.024","","","","has coordinates","293259","2024-07-05","17:57:35",""
"7159936","8.2481","0.0002","10.2725","0.0002","10.6752","0.0002","68.739","0.002","77.265","0.002","87.293","0.002","821.66","0.03","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Cl2 N2 O3 -","- C18 H12 Cl2 N2 O3 -","- C36 H24 Cl4 N4 O6 -","2","1","","Chang, Meng-Yang; Ho, Chin-Huey; Chen, Hsing-Yin","K<sub>2</sub>CO<sub>3</sub>-mediated annulation of 1,3-acetonedicarboxylates with 2-fluoro-1-nitroarenes: synthesis of indoles.","Organic & biomolecular chemistry","2024","22","20","4108","4122","10.1039/d4ob00488d","","x-ray","0.71073","MoKα","","0.0431","0.0382","","","0.0997","0.1031","","","","","","1.067","","","","has coordinates","293259","2024-07-05","17:57:35",""
"7159937","8.0746","0.0002","8.2867","0.0003","16.9277","0.0003","95.59","0.002","98.647","0.002","114.34","0.003","1004.16","0.06","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 Cl2 N2 O6 -","- C20 H16 Cl2 N2 O6 -","- C40 H32 Cl4 N4 O12 -","2","1","","Chang, Meng-Yang; Ho, Chin-Huey; Chen, Hsing-Yin","K<sub>2</sub>CO<sub>3</sub>-mediated annulation of 1,3-acetonedicarboxylates with 2-fluoro-1-nitroarenes: synthesis of indoles.","Organic & biomolecular chemistry","2024","22","20","4108","4122","10.1039/d4ob00488d","","x-ray","0.71073","MoKα","","0.0464","0.0397","","","0.103","0.1073","","","","","","1.055","","","","has coordinates","293259","2024-07-05","17:57:35",""
"7159938","8.3489","0.0004","5.0069","0.0002","18.757","0.0007","90","","91.038","0.002","90","","783.95","0.06","150","2","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8.5 H10 O3 -","- C8.5 H10 O3 -","- C34 H40 O12 -","4","2","","Pocock, Ian A.; Doulcet, Julien; Rice, Craig R.; Sweeney, Joseph B.; Gill, Duncan M.","Stereocontrolled synthesis of the aconitine D ring from D-glucose.","Organic & biomolecular chemistry","2024","22","21","4347","4352","10.1039/d4ob00561a","","","1.54178","CuKα","","0.0946","0.0881","","","0.2285","0.2359","","","","","","1.0507","","","","has coordinates","293279","2024-07-05","18:00:46",""
"7159939","16.3847","0.0004","17.7511","0.0005","18.5322","0.0005","90","","107.632","0.001","90","","5136.8","0.2","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H24 N O4 P -","- C29 H24 N O4 P -","- C232 H192 N8 O32 P8 -","8","1","","Liu, Xian; Hao, Liqiang; Wang, Yangyang; Yu, Xiao; Yang, Zhaoziyuan; Liu, Yiping; Ji, Yafei","Cu<sub>2</sub>O-catalyzed cascade phosphinylation/cyclization of 2'-aminochalcones for the synthesis of hemi-indigo derivatives.","Organic & biomolecular chemistry","2024","22","21","4249","4253","10.1039/d4ob00594e","","","1.54178","CuKα","","0.0531","0.0475","","","0.1345","0.1447","","","","","","1.095","","","","has coordinates,has disorder","293283","2024-07-05","18:01:37",""
"7159940","7.4391","0.0003","15.3129","0.0006","10.5379","0.0004","90","","96.299","0.003","90","","1193.17","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H24 N2 O6 -","- C31 H24 N2 O6 -","- C62 H48 N4 O12 -","2","1","","Eguchi, Shiori; Naoe, Mami; Kageyama, Asako; Imai, Yoshitane; Tohnai, Norimitsu; Yamazaki, Shoko; Nakata, Eiji; Takashima, Hiroshi","Circularly polarised luminescence from intramolecular excimer emission of bis-1,8-naphthalimide derivatives.","Organic & biomolecular chemistry","2024","22","21","4318","4325","10.1039/d4ob00413b","","","1.54184","CuKα","","0.0553","0.0521","","","0.1308","0.1338","","","","","","1.011","","","","has coordinates","293282","2024-07-05","18:01:28",""
"7159941","8.5837","0.0008","16.3187","0.0015","19.3809","0.0017","90","","90","","90","","2714.8","0.4","299","","299","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 Br N3 O4 -","- C25 H24 Br N3 O4 -","- C100 H96 Br4 N12 O16 -","4","1","","Liu, Jiamin; Wei, Xingfu; Wang, Yue; Qu, Jingping; Wang, Baomin","Asymmetric synthesis of atropisomeric arylpyrazoles <i>via</i> direct arylation of 5-aminopyrazoles with naphthoquinones.","Organic & biomolecular chemistry","2024","22","21","4254","4263","10.1039/d4ob00514g","","","0.71073","MoKα","","0.0944","0.0539","","","0.1205","0.1364","","","","","","1.02","","","","has coordinates","293278","2024-07-05","18:00:39",""
"7159942","5.4408","0.0006","10.6295","0.0014","26.948","0.003","90","","90","","90","","1558.5","0.3","99.99","0.1","99.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 O5 -","- C18 H20 O5 -","- C72 H80 O20 -","4","1","","Chen, Weihao; Jiang, Jiahui; Pang, Xiaoyan; Song, Yingying; Yang, Zhiyou; Wang, Junfeng; Liu, Yonghong","Neuroprotective azaphilones from a deep-sea derived fungus <i>Penicillium</i> sp. SCSIO41030.","Organic & biomolecular chemistry","2024","22","22","4521","4527","10.1039/d4ob00586d","","x-ray","1.54184","CuKα","","0.1047","0.0784","","","0.2248","0.2448","","","","","","1.107","","","","has coordinates","293235","2024-07-05","17:53:27",""
"7159943","5.6306","0.0002","22.6115","0.0008","12.114","0.0005","90","","93.781","0.004","90","","1538.95","0.1","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C68 H88 O16 -","4","2","","Chen, Weihao; Jiang, Jiahui; Pang, Xiaoyan; Song, Yingying; Yang, Zhiyou; Wang, Junfeng; Liu, Yonghong","Neuroprotective azaphilones from a deep-sea derived fungus <i>Penicillium</i> sp. SCSIO41030.","Organic & biomolecular chemistry","2024","22","22","4521","4527","10.1039/d4ob00586d","","x-ray","1.54184","CuKα","","0.0656","0.0613","","","0.1706","0.174","","","","","","1.04","","","","has coordinates","295543","2024-10-18","15:17:09",""
"7159944","16.4932","0.0006","6.85772","0.00019","8.9304","0.0003","90","","104.86","0.003","90","","976.3","0.06","295","2","295","2","","","","","","","","3","C 1 2 1","C 2y","5","(+)-Asperilactone B monohydrate","3,6-Anhydro–2,8-dideoxy-D-glycero-D-ido-octono-1,4-lactone monohydrate","","- C8 H14 O6 -","- C8 H14 O6 -","- C32 H56 O24 -","4","1","","Djokić, Sanja; Benedeković, Goran; Kesić, Jelena; Rodić, Marko V; Popsavin, Mirjana; Popsavin, Velimir; Francuz, Jovana","First total synthesis of asperilactone B. Revision of absolute stereochemistry of asperilactones B and C.","Organic & biomolecular chemistry","2024","22","24","4864","4867","10.1039/d4ob00583j","","x-ray","1.54184","CuKα","","0.0362","0.0335","","","0.089","0.0923","","","","","","1.046","","","","has coordinates,has disorder","293231","2024-07-05","17:52:17",""
"7159945","16.5089","0.0003","6.8583","0.00011","8.9344","0.00019","90","","104.846","0.002","90","","977.81","0.03","295","2","295","2","","","","","","","","3","C 1 2 1","C 2y","5","(-)-Asperilactone B monohydrate","3,6-Anhydro-2,8-dideoxy-L-glycero-L-ido-octono-1,4-lactone monohydrate","","- C8 H14 O6 -","- C8 H14 O6 -","- C32 H56 O24 -","4","1","","Djokić, Sanja; Benedeković, Goran; Kesić, Jelena; Rodić, Marko V; Popsavin, Mirjana; Popsavin, Velimir; Francuz, Jovana","First total synthesis of asperilactone B. Revision of absolute stereochemistry of asperilactones B and C.","Organic & biomolecular chemistry","2024","22","24","4864","4867","10.1039/d4ob00583j","","x-ray","1.54184","CuKα","","0.0365","0.0348","","","0.0902","0.0919","","","","","","1.058","","","","has coordinates,has disorder","293231","2024-07-05","17:52:19",""
"7159946","5.37102","0.00006","12.47818","0.00012","26.7627","0.0003","90","","90","","90","","1793.65","0.03","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3,6-Anhydro-2,8-dideoxy-L-glycero-D-ido-octono-1,4-lactone","3,6-Anhydro-2,8-dideoxy-L-glycero-D-ido-octono-1,4-lactone","","- C8 H12 O5 -","- C8 H12 O5 -","- C64 H96 O40 -","8","2","","Djokić, Sanja; Benedeković, Goran; Kesić, Jelena; Rodić, Marko V; Popsavin, Mirjana; Popsavin, Velimir; Francuz, Jovana","First total synthesis of asperilactone B. Revision of absolute stereochemistry of asperilactones B and C.","Organic & biomolecular chemistry","2024","22","24","4864","4867","10.1039/d4ob00583j","","x-ray","1.54184","CuKα","","0.031","0.0292","","","0.0731","0.0747","","","","","","1.064","","","","has coordinates","293231","2024-07-05","17:52:27",""
"7159947","8.5474","0.0005","5.4514","0.0003","9.7185","0.0006","90","","109.269","0.007","90","","427.47","0.05","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 H12 O5 -","- C8 H12 O5 -","- C16 H24 O10 -","2","1","","Djokić, Sanja; Benedeković, Goran; Kesić, Jelena; Rodić, Marko V; Popsavin, Mirjana; Popsavin, Velimir; Francuz, Jovana","First total synthesis of asperilactone B. Revision of absolute stereochemistry of asperilactones B and C.","Organic & biomolecular chemistry","2024","22","24","4864","4867","10.1039/d4ob00583j","","x-ray","0.71073","MoKα","","0.0455","0.0363","","","0.0787","0.0841","","","","","","1.066","","","","has coordinates","293231","2024-07-05","17:52:29",""
"7159948","5.48541","0.00005","10.62294","0.00008","15.21442","0.00014","90","","90","","90","","886.562","0.013","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3,6-Anhydro-2,8-dideoxy-D-glycero-L-gluco-octono-1,4-lactone","3,6-Anhydro-2,8-dideoxy-D-glycero-L-gluco-octono-1,4-lactone","","- C8 H12 O5 -","- C8 H12 O5 -","- C32 H48 O20 -","4","1","","Djokić, Sanja; Benedeković, Goran; Kesić, Jelena; Rodić, Marko V; Popsavin, Mirjana; Popsavin, Velimir; Francuz, Jovana","First total synthesis of asperilactone B. Revision of absolute stereochemistry of asperilactones B and C.","Organic & biomolecular chemistry","2024","22","24","4864","4867","10.1039/d4ob00583j","","x-ray","1.54184","CuKα","","0.0317","0.0317","","","0.0872","0.0872","","","","","","1.093","","","","has coordinates","293231","2024-07-05","17:52:38",""
"7159949","7.6269","0.0002","12.3105","0.0003","23.0037","0.0005","90","","91.242","0.002","90","","2159.33","0.09","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 N O4 S -","- C22 H29 N O4 S -","- C88 H116 N4 O16 S4 -","4","1","","Ning, Chao; Yu, Zi-Qi; Wei, Yin; Shi, Min","Palladium catalyzed stereoselective intramolecular [3 + 2] cycloaddition reactions of (<i>E</i>) & (<i>Z</i>)-ene-vinylidenecyclopropanes.","Organic & biomolecular chemistry","2024","22","22","4445","4449","10.1039/d4ob00607k","","","1.34139","GaKα","","0.085","0.0462","","","0.1002","0.1144","","","","","","1.022","","","","has coordinates","293236","2024-07-05","17:53:34",""
"7159950","8.8399","0.0003","10.9638","0.0005","14.662","0.0006","71.065","0.001","82.388","0.001","67.804","0.001","1244.45","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H30 F N O4 S -","- C27 H30 F N O4 S -","- C54 H60 F2 N2 O8 S2 -","2","1","","Ning, Chao; Yu, Zi-Qi; Wei, Yin; Shi, Min","Palladium catalyzed stereoselective intramolecular [3 + 2] cycloaddition reactions of (<i>E</i>) & (<i>Z</i>)-ene-vinylidenecyclopropanes.","Organic & biomolecular chemistry","2024","22","22","4445","4449","10.1039/d4ob00607k","","","0.71073","MoKα","","0.0575","0.0438","","","0.101","0.1097","","","","","","1.046","","","","has coordinates","293236","2024-07-05","17:53:34",""
"7159951","13.1061","0.0007","8.2101","0.0004","16.7736","0.0009","90","","90.719","0.006","90","","1804.74","0.16","143","","143","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 O3 S Si -","- C18 H20 O3 S Si -","- C72 H80 O12 S4 Si4 -","4","1","","Takatsuki, Masaharu; Aoyama, Hiroshi; Arisawa, Mitsuhiro; Sako, Makoto","Brønsted acid-catalyzed synthesis of spirocyclobutanes <i>via</i> heteroannulation of vinyloxyphenylbicyclobutanes with water.","Organic & biomolecular chemistry","2024","22","23","4727","4731","10.1039/d4ob00451e","","","1.54187","CuKα","","0.0554","0.0485","","","0.1192","0.1295","","","","","","1.044","","","","has coordinates","293273","2024-07-05","17:59:49",""
"7159952","9.4607","0.0003","11.8094","0.0004","10.5546","0.0003","90","","113.879","0.001","90","","1078.28","0.06","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2.18 H2.18 F0.55 N0.18 -","- C2.18182 H2.18182 F0.545455 N0.181818 -","- C48 H48 F12 N4 -","22","5.5","","Arora, Shivani; Singh, Tavinder; Singh, Anand","Photocatalytic C2-trifluoroethylation and perfluoroalkylation of 3-substituted indoles using fluoroalkyl halides.","Organic & biomolecular chemistry","2024","22","21","4278","4282","10.1039/d4ob00392f","","","0.71073","MoKα","","0.053","0.0503","","","0.1428","0.1455","","","","","","1.075","","","","has coordinates","293281","2024-07-05","18:01:22",""
"7159953","12.24","0.0003","9.634","0.0003","24.0129","0.0005","90","","92","0.002","90","","2829.88","0.13","297.82","0.1","297.82","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C H I N O S -","- C3.5 H2.875 I0.25 N0.125 O0.625 S0.125 -","- C112 H92 I8 N4 O20 S4 -","32","8","","Kanikarapu, Suresh; Prasad, Rangu; Sethi, Manoj; Sahoo, Akhila K.","Gold(I)-catalysed cyclisation of (<i>E</i>)-ketene-<i>N</i>,<i>O</i>-acetals: a synthetic route toward spiro-oxazole-γ-lactones.","Organic & biomolecular chemistry","2024","22","23","4672","4679","10.1039/d4ob00551a","","x-ray","0.71073","MoKα","","0.0582","0.0434","","","0.1573","0.1689","","","","","","1.213","","","","has coordinates","293272","2024-07-05","17:59:43",""
"7159954","9.4305","0.0007","11.9858","0.0009","20.8802","0.0017","90","","100.87","0.002","90","","2317.8","0.3","101","","101","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Cl Ir N2 O2 -","- C26 H28 Cl Ir N2 O2 -","- C104 H112 Cl4 Ir4 N8 O8 -","4","1","","Bakibillah, Md; Reja, Sahin; Sarkar, Kaushik; Mukherjee, Deboshmita; Sarkar, Dilip; Roy, Sumana; Almutairi, Tahani Mazyad; Islam, Mohammad Shahidul; Das, Rajesh Kumar","Cp*Ir(III) complexes catalyzed solvent-free synthesis of quinolines, pyrroles and pyridines <i>via</i> an ADC strategy.","Organic & biomolecular chemistry","2024","22","23","4704","4719","10.1039/d4ob00459k","","","1.54178","CuKα","","0.0306","0.0303","","","0.0837","0.0839","","","","","","1.198","","","","has coordinates","293276","2024-07-05","18:00:23",""
"7159955","21.144","0.007","7.159","0.002","15.509","0.005","90","","90","","90","","2347.6","1.3","293.15","","293.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H11 Cl N2 -","- C14 H11 Cl N2 -","- C112 H88 Cl8 N16 -","8","2","","Biswas, Subrata; Roy, Arnab; Duari, Surajit; Maity, Srabani; Elsharif, Asma M.; Biswas, Srijit","Brønsted acid-catalyzed regioselective ring opening of 2<i>H</i>-azirines by 2-mercaptopyridines and related heterocycles; one pot access to imidazo[1,2-<i>a</i>]pyridines and imidazo[2,1-<i>b</i>]thiazoles.","Organic & biomolecular chemistry","2024","22","23","4697","4703","10.1039/d4ob00410h","","","0.71073","MoKα","","0.0671","0.047","","","0.1148","0.1299","","","","","","1.063","","","","has coordinates","293274","2024-07-05","18:00:04",""
"7159956","9.9416","0.001","7.4402","0.001","28.624","0.004","90","","91.123","0.004","90","","2116.8","0.5","299","","299","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 O5 -","- C24 H28 O5 -","- C96 H112 O20 -","4","1","","Ahamad, Jarish; Khan, Faiz Ahmed","Biomimetic total syntheses of renifolin F and antiarone K.","Organic & biomolecular chemistry","2024","22","24","4877","4881","10.1039/d4ob00651h","","","0.71073","MoKα","","0.092","0.0505","","","0.1158","0.1364","","","","","","1.0614","","","","has coordinates","293234","2024-07-05","17:53:16",""
"7159957","15.6918","0.0003","5.05931","0.00011","21.7368","0.0005","90","","108","0.002","90","","1641.22","0.06","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 O2 -","- C25 H16 O2 -","- C100 H64 O8 -","4","1","","Kurokawa, Kazuma; Ogawa, Naoki; Kuroda, Yusuke; Yamaoka, Yousuke; Takikawa, Hiroshi; Tsubaki, Kazunori; Takasu, Kiyosei","Chromic properties of dibenzo[<i>j</i>,<i>l</i>]fluoranthenes exhibiting different resonance contributions.","Organic & biomolecular chemistry","2024","22","26","5306","5313","10.1039/d4ob00750f","","","1.54184","CuKα","","0.0434","0.0384","","","0.1051","0.1081","","","","","","1.0419","","","","has coordinates","293243","2024-07-05","17:54:55",""
"7159958","13.1867","0.0006","14.987","0.0006","8.0323","0.0004","90","","98.777","0.004","90","","1568.83","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(azidomethyl)-N9-phenyl-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-2-one","","- C18 H14 N4 O3 -","- C18 H14 N4 O3 -","- C72 H56 N16 O12 -","4","1","","Arora, Aditi; Kumar, Sumit; Kumar, Sandeep; Dua, Amita; Singh, Brajendra K.","Synthesis, characterization and photophysical studies of dual-emissive base-modified fluorescent nucleosides.","Organic & biomolecular chemistry","2024","22","24","4922","4939","10.1039/d4ob00749b","","x-ray","0.71073","MoKα","","0.0715","0.0457","","","0.1123","0.1229","","","","","","1.073","","","","has coordinates","293232","2024-07-05","17:52:48",""
"7159959","14.0219","0.0003","7.5128","0.0002","19.5632","0.0005","90","","110.926","0.001","90","","1924.93","0.08","273","2","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Br N O3 S2 -","- C20 H16 Br N O3 S2 -","- C80 H64 Br4 N4 O12 S8 -","4","1","","Jain, Anshul; Yadav, Vinay K.; Kumari, Akanksha; Saha, Suman K.; Metre, Ramesh K.; Bhattacharyya, Sudipta; Rana, Nirmal K.","Supported-amine-catalyzed cascade synthesis of spiro-thiazolone-tetrahydrothiophenes: assessing HSA binding activity.","Organic & biomolecular chemistry","2024","22","25","5087","5092","10.1039/d4ob00619d","","","0.71073","MoKα","","0.0344","0.0287","","","0.0707","0.0738","","","","","","1.087","","","","has coordinates","293252","2024-07-05","17:56:44",""
"7159960","24.63533","0.00017","24.63533","0.00017","20.6517","0.00017","90","","90","","120","","10854.3","0.14","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C26 H29 N3 O3 -","- C26 H29 N3 O3 -","- C468 H522 N54 O54 -","18","1","","Chen, Jia-Zhen; Wang, Zhong-Xia","Ruthenium-catalyzed C-H functionalization of indoles and indolines with 7-azabenzonorbornadienes: access to aminodihydronaphthyl indoles and indolines.","Organic & biomolecular chemistry","2024","22","25","5159","5169","10.1039/d4ob00678j","","x-ray","1.54184","CuKα","","0.0414","0.0394","","","0.1081","0.1102","","","","","","1.026","","","","has coordinates","293253","2024-07-05","17:56:53",""
"7159961","7.1717","0.0002","10.4991","0.0004","17.0401","0.0006","101.248","0.003","90.923","0.003","107.566","0.003","1195.87","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H31 N3 O3 -","- C26 H31 N3 O3 -","- C52 H62 N6 O6 -","2","1","","Chen, Jia-Zhen; Wang, Zhong-Xia","Ruthenium-catalyzed C-H functionalization of indoles and indolines with 7-azabenzonorbornadienes: access to aminodihydronaphthyl indoles and indolines.","Organic & biomolecular chemistry","2024","22","25","5159","5169","10.1039/d4ob00678j","","x-ray","1.54184","CuKα","","0.0467","0.0399","","","0.1102","0.1162","","","","","","1.043","","","","has coordinates","293253","2024-07-05","17:56:54",""
"7159962","22.033","0.002","13.718","0.002","10.1323","0.0012","90","","97.804","0.003","90","","3034.1","0.6","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C H N O P -","- C3.2 H3.2 N0.2 O0.6 P0.2 -","- C128 H128 N8 O24 P8 -","40","5","","Sun, Runbo; Junpeng, Yang; Zhang, Zheng; Luo, Ruihang; Tang, Wentao; Liu, Xinyu; Liu, Xiaoyong; Ding, Anjun; Fu, Zhengjiang; Guo, Shengmei; Cai, Hu","Efficient synthesis of α-amino-vinylphosphine oxides from alkyl nitriles <i>via</i> manganese-catalyzed phosphinoenamination.","Organic & biomolecular chemistry","2024","22","24","4993","5000","10.1039/d4ob00489b","","","0.71073","MoKα","","0.1135","0.0881","","","0.2345","0.2628","","","","","","1.037","","","","has coordinates","293233","2024-07-05","17:52:58",""
"7159963","13.6697","0.0005","10.2676","0.0004","18.2714","0.0007","90","","109.391","0.001","90","","2419.01","0.16","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 N4 O3 -","- C28 H30 N4 O3 -","- C112 H120 N16 O12 -","4","1","","Kharlamova, Alisa D.; Ermakova, Elizaveta V.; Abel, Anton S.; Gontcharenko, Victoria E.; Cheprakov, Andrei V.; Averin, Alexei D.; Beletskaya, Irina P.; Andraud, Chantal; Bretonnière, Yann; Bessmertnykh-Lemeune, Alla","Quinoxaline-based azamacrocycles: synthesis, AIE behavior and acidochromism.","Organic & biomolecular chemistry","2024","22","25","5181","5192","10.1039/d4ob00558a","","","0.71073","MoKα","","0.0746","0.0585","","","0.1528","0.1669","","","","","","1.063","","","","has coordinates,has disorder","293250","2024-07-05","17:56:27",""
"7159964","10.9847","0.0006","9.3266","0.0004","15.323","0.0008","90","","107.14","0.006","90","","1500.12","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Cl N2 O S -","- C16 H13 Cl N2 O S -","- C64 H52 Cl4 N8 O4 S4 -","4","1","","Rana, Shally; Shaw, Ranjay; Pratap, Ramendra","Influence of steric hindrance on the 1,4- <i>versus</i> 1,6-Michael addition: synthesis of furans and pentasubstituted benzenes.","Organic & biomolecular chemistry","2024","22","26","5361","5373","10.1039/d4ob00686k","","","0.71073","MoKα","","0.0614","0.0454","","","0.1035","0.1109","","","","","","1.004","","","","has coordinates","293241","2024-07-05","17:54:37",""
"7159965","7.4509","0.0005","8.5535","0.0006","13.4726","0.0009","87.055","0.002","83.603","0.002","79.582","0.002","838.78","0.1","302","2","302","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O3 S2 -","- C16 H20 O3 S2 -","- C32 H40 O6 S4 -","2","1","","Rana, Shally; Shaw, Ranjay; Pratap, Ramendra","Influence of steric hindrance on the 1,4- <i>versus</i> 1,6-Michael addition: synthesis of furans and pentasubstituted benzenes.","Organic & biomolecular chemistry","2024","22","26","5361","5373","10.1039/d4ob00686k","","","0.71073","MoKα","","0.0514","0.0458","","","0.1361","0.1407","","","","","","1.125","","","","has coordinates","293241","2024-07-05","17:54:37",""
"7159966","35.11","0.04","5.38","0.006","15.739","0.018","90","","94.649","0.016","90","","2963","6","296.15","","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 N2 O -","- C21 H14 N2 O -","- C168 H112 N16 O8 -","8","1","","Ghosh, Swarnali; Das, Dwaipayan; Mandal, Rahul Dev; Das, Asish R.","Harnessing the benzyne insertion consequence to enable π-extended pyrido-acridine and quinazolino-phenanthridine.","Organic & biomolecular chemistry","2024","22","27","5591","5602","10.1039/d4ob00533c","","x-ray","0.71073","MoKα","","0.0795","0.0498","","","0.1252","0.1433","","","","","","1.017","","","","has coordinates","293934","2024-08-05","19:58:59",""
"7159967","26.7","0.04","6.71","0.02","22.55","0.04","90","","92.5","0.09","90","","4036","15","295","","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 Cl2 N4 -","- C20 H14 Cl2 N4 -","- C160 H112 Cl16 N32 -","8","1","","Ghosh, Swarnali; Das, Dwaipayan; Mandal, Rahul Dev; Das, Asish R.","Harnessing the benzyne insertion consequence to enable π-extended pyrido-acridine and quinazolino-phenanthridine.","Organic & biomolecular chemistry","2024","22","27","5591","5602","10.1039/d4ob00533c","","x-ray","1.54178","CuKα","","0.163","0.0978","","","0.2548","0.2683","","","","","","1.038","","","","has coordinates","293934","2024-08-05","19:58:59",""
"7159968","8.2846","0.0005","11.5452","0.0007","17.4901","0.001","90","","90","","90","","1672.88","0.17","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","8b","","- C20 H18 Cl N O2 -","- C20 H18 Cl N O2 -","- C80 H72 Cl4 N4 O8 -","4","1","","Song, Peidong; Rong, Haojie; Meng, Tingting; Cui, Zhe; Mao, Mingzhen; Yang, Cuifeng","Quinoline-derived NNP-manganese complex catalyzed α-alkylation of ketones with primary alcohols.","Organic & biomolecular chemistry","2024","22","25","5112","5116","10.1039/d4ob00827h","","","1.54178","CuKα","","0.0223","0.0216","","","0.053","0.0535","","","","","","1.057","","","","has coordinates","293254","2024-07-05","17:57:00",""
"7159969","10.989","0.007","11.463","0.008","17.763","0.013","96.22","0.02","97.254","0.018","106.44","0.017","2104","3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H12 O3 -","- C18 H12 O3 -","- C108 H72 O18 -","6","3","","Hemamalini, Vijayakumar; Shanthi, Markabandhu; Shankar, Bhaskaran; Dandela, Rambabu; Perumal, Karuppaiah; Ramesh, Subburethinam","Visible-light promoted oxidative annulation of 2-naphthols with phenylglyoxal monohydrates toward hydroxy-naphthofuranone and its derivatives.","Organic & biomolecular chemistry","2024","22","26","5314","5324","10.1039/d4ob00693c","","","0.71073","MoKα","","0.1421","0.0702","","","0.1395","0.1687","","","","","","1.022","","","","has coordinates,has disorder","293240","2024-07-05","17:54:30",""
"7159970","8.7791","0.0011","24.495","0.003","13.0852","0.0017","90","","93.387","0.005","90","","2809","0.6","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 O3 -","- C18 H14 O3 -","- C144 H112 O24 -","8","2","","Hemamalini, Vijayakumar; Shanthi, Markabandhu; Shankar, Bhaskaran; Dandela, Rambabu; Perumal, Karuppaiah; Ramesh, Subburethinam","Visible-light promoted oxidative annulation of 2-naphthols with phenylglyoxal monohydrates toward hydroxy-naphthofuranone and its derivatives.","Organic & biomolecular chemistry","2024","22","26","5314","5324","10.1039/d4ob00693c","","","0.71073","MoKα","","0.053","0.0458","","","0.1046","0.1081","","","","","","1.099","","","","has coordinates","293240","2024-07-05","17:54:30",""
"7159971","27.7031","0.0018","13.0253","0.001","9.5007","0.0005","90","","93.854","0.006","90","","3420.5","0.4","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C74 H80 N6 O11 -","- C74 H80 N6 O11 -","- C148 H160 N12 O22 -","2","1","","Barlow, Sean R.; Tomkinson, David; Halcovitch, Nathan R.; Evans, Nicholas H.","Rapid synthesis of hydrogen bond templated handcuff rotaxanes.","Organic & biomolecular chemistry","2024","22","26","5393","5400","10.1039/d4ob00672k","","x-ray","1.54184","CuKα","","0.13","0.1052","","","0.3054","0.3275","","","","","","1.22","","","","has coordinates,has disorder","293242","2024-07-05","17:54:45",""
"7159972","12.317","0.003","12.681","0.003","18.882","0.004","97.653","0.006","104.022","0.007","92.139","0.007","2828.4","1.1","175.06","","175.06","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H24 Cl N O7 S -","- C25 H24 Cl N O7 S -","- C100 H96 Cl4 N4 O28 S4 -","4","2","","Roy, Arnab; Duari, Surajit; Maity, Srabani; Biswas, Subrata; Mishra, Abhishek Kumar; Biswas, Srijit","Regioselective Brønsted acid catalyzed ring opening of aziridines by phenols and thiophenols; a gateway to access functionalized indolines, indoles, benzothiazines, dihydrobenzo-thiazines, benzo-oxazines and benzochromenes.","Organic & biomolecular chemistry","2024","22","27","5653","5664","10.1039/d4ob00196f","","","0.71073","MoKα","","0.1467","0.0673","","","0.1618","0.2138","","","","","","0.984","","","","has coordinates","293931","2024-08-05","19:58:18",""
"7159973","10.744","0.004","18.229","0.008","13.664","0.005","90","","96.484","0.015","90","","2659","1.8","294","","294","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H19 Br Cl2 N4 O2 -","- C30 H19 Br Cl2 N4 O2 -","- C120 H76 Br4 Cl8 N16 O8 -","4","1","","Bokam, Ramesh; Munipalle, Kiran; Appa Rao Annam, S Ch V; Gundoju, Narayanarao; Raju Chowhan, L.; Ponnapalli, Mangala Gowri","A one-pot ultrasound-assisted regio and stereoselective synthesis of indenoquinoxaline engrafted spiropyrrolidines.","Organic & biomolecular chemistry","2024","22","25","5150","5158","10.1039/d4ob00288a","","","0.71073","MoKα","","0.0694","0.0482","","","0.1171","0.1308","","","","","","1.022","","","","has coordinates","293251","2024-07-05","17:56:34",""
"7159974","16.9016","0.0015","8.643","0.0008","21.0199","0.0019","90","","108.891","0.003","90","","2905.2","0.5","297","","297","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 N2 O2 -","- C40 H30 N2 O2 -","- C160 H120 N8 O8 -","4","1","","Yashmin, Sabina; A M, Karthik; Khan, Abu Taleb","Utilization of DMSO as a solvent-cum-reactant: synthesis of fused 2-aryl-4-methylquinolines.","Organic & biomolecular chemistry","2024","22","27","5608","5617","10.1039/d4ob00938j","","","0.71073","MoKα","","0.1337","0.0781","","","0.1632","0.2003","","","","","","1.149","","","","has coordinates","293932","2024-08-05","19:58:28",""
"7159975","9.6313","0.0002","8.3277","0.0002","18.8433","0.0003","90","","95.67","0.002","90","","1503.96","0.05","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 N3 O7 P -","- C11 H14 N3 O7 P -","- C44 H56 N12 O28 P4 -","4","1","","Pathak, Jalaj Kumar; Kant, Ruchir; Rastogi, Namrata","Chemodivergent phosphonylation of diazocarboxylates: light-on <i>vs</i>. light-off reactions.","Organic & biomolecular chemistry","2024","22","25","5224","5228","10.1039/d4ob00573b","","x-ray","1.54184","CuKα","","0.0699","0.0649","","","0.177","0.1822","","","","","","1.078","","","","has coordinates","293255","2024-07-05","17:57:06",""
"7159976","13.9738","0.0007","7.6693","0.0004","22.8201","0.0014","90","","106.684","0.004","90","","2342.7","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H63 Cl N4 O5 Si3 -","- C42 H63 Cl N4 O5 Si3 -","- C84 H126 Cl2 N8 O10 Si6 -","2","1","","Lakshman, Mahesh K.; Malinchak, Casina T.; Shank, Nathaniel; Neary, Michelle C.; Stahl, Lothar","Purinyl <i>N</i>-directed aroylation of 6-arylpurine ribo- and 2'-deoxyribonucleosides, and mechanistic insights.","Organic & biomolecular chemistry","2024","22","33","6718","6726","10.1039/d4ob00689e","","","1.54178","CuKα","","0.1502","0.129","","","0.3283","0.3493","","","","","","1.039","","","","has coordinates,has disorder","294623","2024-09-06","01:54:35",""
"7159977","9.9632","0.0002","11.4926","0.0002","12.0157","0.0002","91.285","0.001","98.94","0.001","113.264","0.001","1243.28","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C32.5 H23.5 N4 O -","- C32.5 H23.5 N4 O -","- C65 H47 N8 O2 -","2","1","","Lakshman, Mahesh K.; Malinchak, Casina T.; Shank, Nathaniel; Neary, Michelle C.; Stahl, Lothar","Purinyl <i>N</i>-directed aroylation of 6-arylpurine ribo- and 2'-deoxyribonucleosides, and mechanistic insights.","Organic & biomolecular chemistry","2024","22","33","6718","6726","10.1039/d4ob00689e","","","0.71073","MoKα","","0.0536","0.0452","","","0.1197","0.1275","","","","","","1.045","","","","has coordinates","294623","2024-09-06","01:54:35",""
"7159978","8.7766","0.0008","9.6982","0.0009","13.2431","0.0013","99.818","0.004","98.95","0.004","101.433","0.004","1067.53","0.18","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C44 H44 N12 O8 -","4","2","","Lin, Bohong; Ruan, Yaoping; Hou, Qi; Yuan, Zhijun; Liang, Yunshi; Zhang, Jing","Regioselective 5-<i>exo-dig</i> (halo)cyclization of <i>N</i>-propargyloxycarbonyl guanidine derivatives under mild conditions.","Organic & biomolecular chemistry","2024","22","27","5585","5590","10.1039/d4ob00579a","","","0.71073","MoKα","","0.0589","0.0442","","","0.1135","0.1217","","","","","","1.076","","","","has coordinates","293933","2024-08-05","19:58:50",""
"7159979","7.5748","0.0003","12.5331","0.0004","13.9255","0.0005","91.813","0.001","97.617","0.001","102.826","0.001","1275.11","0.08","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Cl3 N3 O2 -","- C11 H8 Cl3 N3 O2 -","- C44 H32 Cl12 N12 O8 -","4","2","","Lin, Bohong; Ruan, Yaoping; Hou, Qi; Yuan, Zhijun; Liang, Yunshi; Zhang, Jing","Regioselective 5-<i>exo-dig</i> (halo)cyclization of <i>N</i>-propargyloxycarbonyl guanidine derivatives under mild conditions.","Organic & biomolecular chemistry","2024","22","27","5585","5590","10.1039/d4ob00579a","","","0.71073","MoKα","","0.0452","0.0423","","","0.1151","0.1177","","","","","","0.991","","","","has coordinates","293933","2024-08-05","19:58:50",""
"7159980","12.4737","0.0004","7.2411","0.0002","15.4718","0.0005","90","","106.044","0.001","90","","1343.03","0.07","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 I N3 O3 -","- C12 H12 I N3 O3 -","- C48 H48 I4 N12 O12 -","4","1","","Lin, Bohong; Ruan, Yaoping; Hou, Qi; Yuan, Zhijun; Liang, Yunshi; Zhang, Jing","Regioselective 5-<i>exo-dig</i> (halo)cyclization of <i>N</i>-propargyloxycarbonyl guanidine derivatives under mild conditions.","Organic & biomolecular chemistry","2024","22","27","5585","5590","10.1039/d4ob00579a","","","0.71073","MoKα","","0.0633","0.0542","","","0.1479","0.1549","","","","","","1.072","","","","has coordinates","293933","2024-08-05","19:58:50",""
"7159981","11.3126","0.0016","6.7487","0.001","16.077","0.002","90","","109.264","0.005","90","","1158.7","0.3","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Br F N3 O2 -","- C11 H9 Br F N3 O2 -","- C44 H36 Br4 F4 N12 O8 -","4","1","","Lin, Bohong; Ruan, Yaoping; Hou, Qi; Yuan, Zhijun; Liang, Yunshi; Zhang, Jing","Regioselective 5-<i>exo-dig</i> (halo)cyclization of <i>N</i>-propargyloxycarbonyl guanidine derivatives under mild conditions.","Organic & biomolecular chemistry","2024","22","27","5585","5590","10.1039/d4ob00579a","","","0.71073","MoKα","","0.0388","0.0361","","","0.1091","0.1118","","","","","","1.131","","","","has coordinates","293933","2024-08-05","19:58:50",""
"7159982","9.3897","0.0001","9.3897","0.0001","28.9002","0.0006","90","","90","","90","","2548.03","0.07","298","","298","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C12 H12 Cl N3 O2 -","- C12 H12 Cl N3 O2 -","- C96 H96 Cl8 N24 O16 -","8","1","","Lin, Bohong; Ruan, Yaoping; Hou, Qi; Yuan, Zhijun; Liang, Yunshi; Zhang, Jing","Regioselective 5-<i>exo-dig</i> (halo)cyclization of <i>N</i>-propargyloxycarbonyl guanidine derivatives under mild conditions.","Organic & biomolecular chemistry","2024","22","27","5585","5590","10.1039/d4ob00579a","","","0.71073","MoKα","","0.0469","0.0412","","","0.0979","0.1008","","","","","","1.043","","","","has coordinates","293933","2024-08-05","19:58:50",""
"7159983","14.3914","0.0001","14.3914","0.0001","27.1211","0.0001","90","","90","","120","","4864.57","0.05","108","5","108","5","","","","","","","synthesis","6","P 31 2 1","P 31 2""","152","","","","- C80.41 H60 Cl4 N4 O2 Zn -","- C80.406 H60 Cl4 N4 O2 Zn -","- C241.218 H180 Cl12 N12 O6 Zn3 -","3","0.5","","Kumar, Sundaravel Vivek; Olusegun, Jeremiah; Guiry, Patrick J.","Zn(II)-catalyzed asymmetric [3 + 2] cycloaddition of acyclic enones with azomethine ylides.","Organic & biomolecular chemistry","2024","22","35","7148","7153","10.1039/d4ob00854e","","x-ray","1.54184","CuKα","","0.0354","0.0351","","","0.0977","0.0981","","","","","","1.058","","","","has coordinates,has disorder","295338","2024-10-06","09:18:09",""
"7159984","5.6055","0.0001","7.638","0.0001","34.102","0.0006","90","","91.472","0.002","90","","1459.59","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 N2 S3 -","- C17 H12 N2 S3 -","- C68 H48 N8 S12 -","4","1","","Inoue, Takumi; Morita, Nami; Amijima, Yui; Sakai, Rika; Hamada, Shohei; Nakamura, Seikou; Kobayashi, Yusuke; Furuta, Takumi","Formation of chalcogen-bonding interactions and their role in the <i>trans</i>-<i>trans</i> conformation of thiourea.","Organic & biomolecular chemistry","2024","22","26","5301","5305","10.1039/d4ob00723a","","x-ray","1.54184","CuKα","","0.0397","0.038","","","0.0944","0.0953","","","","","","1.132","","","","has coordinates","293244","2024-07-05","17:55:02",""
"7159985","10.0089","0.0004","11.1233","0.0005","12.0576","0.0005","104.087","0.001","108.984","0.001","90.413","0.002","1225.74","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H33 Br N2 O -","- C28 H33 Br N2 O -","- C56 H66 Br2 N4 O2 -","2","1","","Mamale, Ajay G.; Paul, Sayantan; Gonnade, Rajesh G.; Bhattacharya, Asish K.","1,6-Conjugate addition of <i>in situ</i> generated aryldiazenes to <i>p</i>-quinone methides.","Organic & biomolecular chemistry","2024","22","27","5636","5645","10.1039/d4ob00618f","","","0.71073","MoKα","","0.0306","0.0263","","","0.0673","0.0689","","","","","","1.057","","","","has coordinates","293937","2024-08-05","19:59:31",""
"7159986","18.1645","0.0007","11.6514","0.0004","25.2936","0.001","90","","90","","90","","5353.2","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H38 N2 O2 -","- C30 H38 N2 O2 -","- C240 H304 N16 O16 -","8","1","","Mamale, Ajay G.; Paul, Sayantan; Gonnade, Rajesh G.; Bhattacharya, Asish K.","1,6-Conjugate addition of <i>in situ</i> generated aryldiazenes to <i>p</i>-quinone methides.","Organic & biomolecular chemistry","2024","22","27","5636","5645","10.1039/d4ob00618f","","","0.71073","MoKα","","0.1111","0.0487","","","0.096","0.1264","","","","","","1.047","","","","has coordinates","293937","2024-08-05","19:59:32",""
"7159987","12.2116","0.0009","19.303","0.0017","10.9565","0.0009","90","","106.653","0.002","90","","2474.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 N3 O4 -","- C28 H33 N3 O4 -","- C112 H132 N12 O16 -","4","1","","Mamale, Ajay G.; Paul, Sayantan; Gonnade, Rajesh G.; Bhattacharya, Asish K.","1,6-Conjugate addition of <i>in situ</i> generated aryldiazenes to <i>p</i>-quinone methides.","Organic & biomolecular chemistry","2024","22","27","5636","5645","10.1039/d4ob00618f","","","0.71073","MoKα","","0.0827","0.045","","","0.0956","0.1151","","","","","","1.03","","","","has coordinates","293937","2024-08-05","19:59:32",""
"7159988","7.8103","0.0007","13.6493","0.0013","17.9317","0.0014","90","","90","","90","","1911.6","0.3","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","SJG_DK_7_MEMB_TMS","","- C20 H25 N O3 S -","- C20 H25 N O3 S -","- C80 H100 N4 O12 S4 -","4","1","","Gharpure, Santosh J.; Kalita, Deepika; Somani, Shipra; Pal, Juhi","Deciphering substitution effects on reductive hydroalkoxylation of alkynyl aminols for stereoselective synthesis of morpholines and 1,4-oxazepanes: total synthesis of tridemorph and fenpropimorph.","Organic & biomolecular chemistry","2024","22","27","5529","5533","10.1039/d4ob00855c","","x-ray","0.71073","MoKα","","0.084","0.0573","","","0.1211","0.1367","","","","","","0.987","","","","has coordinates","293938","2024-08-05","19:59:42",""
"7159989","10.267","0.0015","5.7556","0.0006","11.9973","0.0014","90","","98.887","0.012","90","","700.44","0.15","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","SJG_DK_03_273","","- C12 H16 N2 O5 S -","- C12 H16 N2 O5 S -","- C24 H32 N4 O10 S2 -","2","1","","Gharpure, Santosh J.; Kalita, Deepika; Somani, Shipra; Pal, Juhi","Deciphering substitution effects on reductive hydroalkoxylation of alkynyl aminols for stereoselective synthesis of morpholines and 1,4-oxazepanes: total synthesis of tridemorph and fenpropimorph.","Organic & biomolecular chemistry","2024","22","27","5529","5533","10.1039/d4ob00855c","","x-ray","0.71073","MoKα","","0.0976","0.0842","","","0.2061","0.2311","","","","","","1.024","","","","has coordinates","293938","2024-08-05","19:59:43",""
"7159990","9.3265","0.0001","9.3265","0.0001","12.2744","0.0002","88.792","0.001","88.792","0.001","80.488","0.001","1052.59","0.02","293.15","","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H29 N O -","- C26 H29 N O -","- C52 H58 N2 O2 -","2","1","","Li, Mengfan; Chen, Yan; Tang, Hao; Cheng, Wen; Liao, Benren; Wang, Qingwei; Yi, Weiyin","One-pot formal [3 + 2] annulation of 2-pyridinyl-substituted <i>p</i>-quinone methides and arynes for the synthesis of 3-aryl pyrido[1,2-<i>a</i>]indoles.","Organic & biomolecular chemistry","2024","22","27","5618","5628","10.1039/d4ob00684d","","x-ray","1.54184","CuKα","","0.057","0.0505","","","0.1524","0.1603","","","","","","1.084","","","","has coordinates","293936","2024-08-05","19:59:13",""
"7159991","4.7332","0.0002","20.9652","0.0008","16.241","0.0006","90","","94.249","0.001","90","","1607.21","0.11","122","","122","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Quinazolinone","","- C21 H13 N3 O -","- C21 H13 N3 O -","- C84 H52 N12 O4 -","4","1","","Mondal, Shuvam; Jana, Ranjan","Green light-mediated dual eosin Y/Pd<sup>II</sup>-catalyzed C(sp<sup>2</sup>)-H arylation of N-H unprotected 2-arylquinazolinones.","Organic & biomolecular chemistry","2024","22","27","5540","5545","10.1039/d4ob00779d","","x-ray","1.54178","CuKα","","0.0465","0.0451","","","0.12","0.1214","","","","","","1.065","","","","has coordinates","293935","2024-08-05","19:59:06",""
"7159992","7.4997","0.0006","13.6212","0.0011","16.1797","0.0012","90","","93.812","0.004","90","","1649.2","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","QUINAZOLINONE","","- C84 H60 F4 N8 O8 -","- C84 H60 F4 N8 O8 -","- C84 H60 F4 N8 O8 -","1","0.25","","Mondal, Shuvam; Jana, Ranjan","Green light-mediated dual eosin Y/Pd<sup>II</sup>-catalyzed C(sp<sup>2</sup>)-H arylation of N-H unprotected 2-arylquinazolinones.","Organic & biomolecular chemistry","2024","22","27","5540","5545","10.1039/d4ob00779d","","x-ray","1.54178","CuKα","","0.0729","0.0682","","","0.1471","0.1533","","","","","","1.071","","","","has coordinates","293935","2024-08-05","19:59:07",""
"7159993","8.7317","0.0002","20.23","0.0005","21.9275","0.0005","90","","90","","90","","3873.32","0.16","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H33 Co F6 N5 O6 S2 -","- C32 H33 Co F6 N5 O6 S2 -","- C128 H132 Co4 F24 N20 O24 S8 -","4","1","","Wen, Xiang; Ma, Yidong; Chen, Jie; Wang, Bin","A synthetically useful catalytic system for aliphatic C-H oxidation with a nonheme cobalt complex and <i>m</i>-CPBA.","Organic & biomolecular chemistry","2024","22","28","5729","5733","10.1039/d4ob00807c","","x-ray","0.71073","MoKα","","0.0643","0.0522","","","0.1022","0.1088","","","","","","1.052","","","","has coordinates","293928","2024-08-05","19:57:41",""
"7159994","17.157","0.004","13.818","0.003","17.35","0.003","90","","111.124","0.005","90","","3836.9","1.4","299","2","299","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H53 N O Si2 -","- C38 H53 N O Si2 -","- C152 H212 N4 O4 Si8 -","4","1","","Das, Sukanya; Datta, Tanmoy; Sk, Md Abbasuddin; Roy, Brindaban; Nandi, Raj K.","Isoxazole group directed Rh(III)-catalyzed alkynylation using TIPS-EBX.","Organic & biomolecular chemistry","2024","22","34","6922","6927","10.1039/d4ob00797b","","","0.71073","MoKα","","0.1276","0.0817","","","0.1752","0.2086","","","","","","1.06","","","","has coordinates","294641","2024-09-06","01:58:48",""
"7159995","10.3208","0.0006","12.3275","0.0007","16.0767","0.0012","90","","90","","90","","2045.4","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 O2 -","- C26 H22 O2 -","- C104 H88 O8 -","4","1","","Maurya, Jay Prakash; Swain, Subham S.; Ramasastry, S. S. V.","Phosphine-promoted intramolecular Rauhut-Currier/Wittig reaction cascade to access (hetero)arene-fused diquinanes.","Organic & biomolecular chemistry","2024","22","28","5718","5723","10.1039/d4ob00984c","","x-ray","0.71073","MoKα","","0.0476","0.0398","","","0.0967","0.1057","","","","","","1.063","","","","has coordinates","293929","2024-08-05","19:58:00",""
"7159996","8.5179","0.0004","10.2457","0.0005","23.2567","0.001","90","","93.088","0.004","90","","2026.71","0.16","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 O4 -","- C26 H20 O4 -","- C104 H80 O16 -","4","1","","Maurya, Jay Prakash; Swain, Subham S.; Ramasastry, S. S. V.","Phosphine-promoted intramolecular Rauhut-Currier/Wittig reaction cascade to access (hetero)arene-fused diquinanes.","Organic & biomolecular chemistry","2024","22","28","5718","5723","10.1039/d4ob00984c","","x-ray","0.71073","MoKα","","0.1014","0.062","","","0.1665","0.2108","","","","","","1.04","","","","has coordinates","293929","2024-08-05","19:58:00",""
"7159997","6.3202","0.0003","11.5648","0.0005","15.4255","0.0009","90","","90","","90","","1127.48","0.1","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","GS-7s-Li","","- C12 H22 O2 -","- C12 H22 O2 -","- C48 H88 O8 -","4","1","","Yin, Zhiyong; Maczka, Michael; Schnakenburg, Gregor; Schulz, Stefan; Dickschat, Jeroen S.","Enantioselective synthesis of all stereoisomers of geosmin and of biosynthetically related natural products.","Organic & biomolecular chemistry","2024","22","28","5748","5758","10.1039/d4ob00934g","","","1.54186","CuKα","","0.0473","0.0387","","","0.0911","0.0958","","","","","","1.051","","","","has coordinates","293925","2024-08-05","19:57:05",""
"7159998","7.32486","0.00022","9.913","0.0003","14.0128","0.0006","90","","90","","90","","1017.49","0.06","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","SGS-3","","- C12 H18 O -","- C12 H18 O -","- C48 H72 O4 -","4","1","","Yin, Zhiyong; Maczka, Michael; Schnakenburg, Gregor; Schulz, Stefan; Dickschat, Jeroen S.","Enantioselective synthesis of all stereoisomers of geosmin and of biosynthetically related natural products.","Organic & biomolecular chemistry","2024","22","28","5748","5758","10.1039/d4ob00934g","","","1.54186","CuKα","","0.0311","0.0294","","","0.0739","0.0751","","","","","","1.048","","","","has coordinates","293925","2024-08-05","19:57:06",""
"7159999","7.3252","0.0003","9.8946","0.0003","14.0386","0.0004","90","","90","","90","","1017.52","0.06","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","GS-3","","- C12 H18 O -","- C12 H18 O -","- C48 H72 O4 -","4","1","","Yin, Zhiyong; Maczka, Michael; Schnakenburg, Gregor; Schulz, Stefan; Dickschat, Jeroen S.","Enantioselective synthesis of all stereoisomers of geosmin and of biosynthetically related natural products.","Organic & biomolecular chemistry","2024","22","28","5748","5758","10.1039/d4ob00934g","","","1.54186","CuKα","","0.0336","0.0317","","","0.0802","0.0815","","","","","","1.037","","","","has coordinates","293925","2024-08-05","19:57:06",""
"7160000","36.7093","0.001","26.4549","0.0009","6.8153","0.0002","90","","90","","90","","6618.6","0.3","100","","100","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","SGS-4","","- C12 H20 O -","- C12 H20 O -","- C288 H480 O24 -","24","6","","Yin, Zhiyong; Maczka, Michael; Schnakenburg, Gregor; Schulz, Stefan; Dickschat, Jeroen S.","Enantioselective synthesis of all stereoisomers of geosmin and of biosynthetically related natural products.","Organic & biomolecular chemistry","2024","22","28","5748","5758","10.1039/d4ob00934g","","","1.54186","CuKα","","0.0972","0.0766","","","0.1929","0.2194","","","","","","1.027","","","","has coordinates","293925","2024-08-05","19:57:06",""
"7160001","5.4353","0.0002","7.005","0.0003","23.8253","0.001","90","","90","","90","","907.13","0.06","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H9 Cl F3 N O3 -","- C6 H9 Cl F3 N O3 -","- C24 H36 Cl4 F12 N4 O12 -","4","1","","Logvinenko, Ivan G.; Sadkova, Iryna V.; Tolmachova, Nataliya A.; Shishkina, Svitlana V.; Daniliuc, Constantin G.; Haufe, Günter; Kondratov, Ivan S.","4-Trifluoromethoxy proline: synthesis of stereoisomers and lipophilicity study.","Organic & biomolecular chemistry","2024","22","39","7982","7988","10.1039/d4ob00688g","","","1.54178","CuKα","","0.0337","0.0284","","","0.0643","0.0661","","","","","","1.021","","","","has coordinates","296680","2024-12-06","20:36:16",""
"7160002","5.4474","0.0002","7.0132","0.0003","23.9996","0.0011","90","","90","","90","","916.87","0.07","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H9 Cl F3 N O3 -","- C6 H9 Cl F3 N O3 -","- C24 H36 Cl4 F12 N4 O12 -","4","1","","Logvinenko, Ivan G.; Sadkova, Iryna V.; Tolmachova, Nataliya A.; Shishkina, Svitlana V.; Daniliuc, Constantin G.; Haufe, Günter; Kondratov, Ivan S.","4-Trifluoromethoxy proline: synthesis of stereoisomers and lipophilicity study.","Organic & biomolecular chemistry","2024","22","39","7982","7988","10.1039/d4ob00688g","","","0.71073","MoKα","","0.0295","0.0277","","","0.0637","0.0645","","","","","","1.092","","","","has coordinates","296680","2024-12-06","20:36:17",""
"7160003","8.3057","0.001","8.6418","0.0008","13.314","0.0012","90","","90","","90","","955.63","0.17","273.15","","273.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H9 Cl F3 N O3 -","- C6 H9 Cl F3 N O3 -","- C24 H36 Cl4 F12 N4 O12 -","4","1","","Logvinenko, Ivan G.; Sadkova, Iryna V.; Tolmachova, Nataliya A.; Shishkina, Svitlana V.; Daniliuc, Constantin G.; Haufe, Günter; Kondratov, Ivan S.","4-Trifluoromethoxy proline: synthesis of stereoisomers and lipophilicity study.","Organic & biomolecular chemistry","2024","22","39","7982","7988","10.1039/d4ob00688g","","","0.71073","MoKα","","0.0602","0.0485","","","0.0814","0.0848","","","","","","1.131","","","","has coordinates","296680","2024-12-06","20:36:17",""
"7160004","8.3231","0.0007","8.6507","0.0007","13.3347","0.0011","90","","90","","90","","960.11","0.14","173.15","","172.65","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H9 Cl F3 N O3 -","- C6 H9 Cl F3 N O3 -","- C24 H36 Cl4 F12 N4 O12 -","4","1","","Logvinenko, Ivan G.; Sadkova, Iryna V.; Tolmachova, Nataliya A.; Shishkina, Svitlana V.; Daniliuc, Constantin G.; Haufe, Günter; Kondratov, Ivan S.","4-Trifluoromethoxy proline: synthesis of stereoisomers and lipophilicity study.","Organic & biomolecular chemistry","2024","22","39","7982","7988","10.1039/d4ob00688g","","","0.71073","MoKα","","0.0379","0.0316","","","0.07","0.073","","","","","","1.08","","","","has coordinates","296680","2024-12-06","20:36:17",""
"7160005","6.0959","0.0003","14.8987","0.0006","19.713","0.0007","90","","90","","90","","1790.35","0.13","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Br N4 O3 Se -","- C18 H13 Br N4 O3 Se -","- C72 H52 Br4 N16 O12 Se4 -","4","1","","Lalji, Ram Sunil Kumar; Monika, ?; Gupta, Mohit; Kumar, Sandeep; Butcher, Ray J.; Singh, Brajendra Kumar","Expedient, regioselective C-H chalcogenation of 3,4-dihydro-1,4-benzoxazines using a palladium-copper catalyst.","Organic & biomolecular chemistry","2024","22","28","5809","5815","10.1039/d4ob00524d","","","0.71073","MoKα","","0.08","0.071","","","0.1816","0.1869","","","","","","1.059","","","","has coordinates,has disorder","293926","2024-08-05","19:57:13",""
"7160006","7.2215","0.0002","10.8817","0.0003","16.0374","0.0006","106.334","0.003","92.084","0.003","95.137","0.002","1202.03","0.07","298","0.7","298","0.7","","","","","","","","6","P -1","-P 1","2","","","","- C25 H15 F6 N3 O5 S -","- C25 H15 F6 N3 O5 S -","- C50 H30 F12 N6 O10 S2 -","2","1","","Subramaniam, Subhashini V.; Singh, Badal; Pradeep, Natarajan; Peruncheralathan, Saravanan","PIFA-mediated intramolecular <i>N</i>-arylation of 2-aminoquinoxalines to afford indolo[2,3-<i>b</i>]quinoxaline derivatives.","Organic & biomolecular chemistry","2024","22","28","5803","5808","10.1039/d4ob00812j","","x-ray","1.54184","CuKα","","0.0667","0.061","","","0.1671","0.1848","","","","","","1.0094","","","","has coordinates","293924","2024-08-05","19:56:52",""
"7160007","7.9867","0.0002","18.9604","0.0005","11.541","0.0003","90","","98.527","0.002","90","","1728.35","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N3 O2 S -","- C21 H15 N3 O2 S -","- C84 H60 N12 O8 S4 -","4","1","","Subramaniam, Subhashini V.; Singh, Badal; Pradeep, Natarajan; Peruncheralathan, Saravanan","PIFA-mediated intramolecular <i>N</i>-arylation of 2-aminoquinoxalines to afford indolo[2,3-<i>b</i>]quinoxaline derivatives.","Organic & biomolecular chemistry","2024","22","28","5803","5808","10.1039/d4ob00812j","","x-ray","0.71073","MoKα","","0.0438","0.0375","","","0.097","0.101","","","","","","1.037","","","","has coordinates","293924","2024-08-05","19:56:52",""
"7160008","10.445","0.003","19.168","0.006","9.55","0.003","90","","111.776","0.009","90","","1775.6","0.9","300","2","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 Cl2 N O2 -","- C21 H13 Cl2 N O2 -","- C84 H52 Cl8 N4 O8 -","4","1","","Mandal, Pratap Kumar; Patel, Sandeep; Katukojvala, Sreenivas","Enal-azomethine ylides: application in the synthesis of functionalized pyrroles.","Organic & biomolecular chemistry","2024","22","28","5734","5738","10.1039/d4ob00859f","","","0.71073","MoKα","","0.0885","0.0484","","","0.1475","0.1934","","","","","","1.21","","","","has coordinates","293930","2024-08-05","19:58:06",""
"7160009","12.0273","0.0003","13.1402","0.0004","14.3337","0.0004","90","","90","","90","","2265.31","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 N2 O6 -","- C24 H32 N2 O6 -","- C96 H128 N8 O24 -","4","1","","Schultz, Daniel C.; Chávez-Riveros, Alejandra; Goertzen, 2nd, Michael G; Brummel, Beau R.; Paes, Raphaella A.; Santos, Natalia M.; Tenneti, Srinivasarao; Abboud, Khalil A.; Rocca, James R.; Seabra, Gustavo; Li, Chenglong; Chakrabarti, Debopam; Huigens, 3rd, Robert W","Chloroformate-mediated ring cleavage of indole alkaloids leads to re-engineered antiplasmodial agents.","Organic & biomolecular chemistry","2024","22","42","8423","8436","10.1039/d4ob00853g","","","0.71073","MoKα","","0.0525","0.0411","","","0.095","0.101","","","","","","1.073","","","","has coordinates","296679","2024-12-06","20:36:07",""
"7160010","12.2862","0.0002","9.7856","0.0002","13.156","0.0003","90","","111.055","0.0007","90","","1476.12","0.05","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H37 I N2 O6 -","- C31 H37 I N2 O6 -","- C62 H74 I2 N4 O12 -","2","1","","Schultz, Daniel C.; Chávez-Riveros, Alejandra; Goertzen, 2nd, Michael G; Brummel, Beau R.; Paes, Raphaella A.; Santos, Natalia M.; Tenneti, Srinivasarao; Abboud, Khalil A.; Rocca, James R.; Seabra, Gustavo; Li, Chenglong; Chakrabarti, Debopam; Huigens, 3rd, Robert W","Chloroformate-mediated ring cleavage of indole alkaloids leads to re-engineered antiplasmodial agents.","Organic & biomolecular chemistry","2024","22","42","8423","8436","10.1039/d4ob00853g","","","1.54178","CuKα","","0.0243","0.0242","","","0.0638","0.0639","","","","","","1.046","","","","has coordinates","296679","2024-12-06","20:36:08",""
"7160011","9.382","0.003","7.3133","0.0013","16.086","0.006","90","","104.69","0.02","90","","1067.6","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H30 N2 O5 -","- C24 H30 N2 O5 -","- C48 H60 N4 O10 -","2","1","","Schultz, Daniel C.; Chávez-Riveros, Alejandra; Goertzen, 2nd, Michael G; Brummel, Beau R.; Paes, Raphaella A.; Santos, Natalia M.; Tenneti, Srinivasarao; Abboud, Khalil A.; Rocca, James R.; Seabra, Gustavo; Li, Chenglong; Chakrabarti, Debopam; Huigens, 3rd, Robert W","Chloroformate-mediated ring cleavage of indole alkaloids leads to re-engineered antiplasmodial agents.","Organic & biomolecular chemistry","2024","22","42","8423","8436","10.1039/d4ob00853g","","","1.54178","CuKα","","0.0304","0.0303","","","0.0855","0.0856","","","","","","1.084","","","","has coordinates","296679","2024-12-06","20:36:08",""
"7160012","12.0831","0.0006","9.8234","0.0005","13.03","0.0006","90","","111.977","0.001","90","","1434.24","0.12","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H35 I N2 O6 -","- C30 H35 I N2 O6 -","- C60 H70 I2 N4 O12 -","2","1","","Schultz, Daniel C.; Chávez-Riveros, Alejandra; Goertzen, 2nd, Michael G; Brummel, Beau R.; Paes, Raphaella A.; Santos, Natalia M.; Tenneti, Srinivasarao; Abboud, Khalil A.; Rocca, James R.; Seabra, Gustavo; Li, Chenglong; Chakrabarti, Debopam; Huigens, 3rd, Robert W","Chloroformate-mediated ring cleavage of indole alkaloids leads to re-engineered antiplasmodial agents.","Organic & biomolecular chemistry","2024","22","42","8423","8436","10.1039/d4ob00853g","","","0.71073","MoKα","","0.0206","0.0198","","","0.0477","0.0481","","","","","","1.039","","","","has coordinates","296679","2024-12-06","20:36:08",""
"7160013","9.7448","0.0003","14.0034","0.0005","19.658","0.0006","90","","90","","90","","2682.54","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 N2 O5 S -","- C30 H36 N2 O5 S -","- C120 H144 N8 O20 S4 -","4","1","","Schultz, Daniel C.; Chávez-Riveros, Alejandra; Goertzen, 2nd, Michael G; Brummel, Beau R.; Paes, Raphaella A.; Santos, Natalia M.; Tenneti, Srinivasarao; Abboud, Khalil A.; Rocca, James R.; Seabra, Gustavo; Li, Chenglong; Chakrabarti, Debopam; Huigens, 3rd, Robert W","Chloroformate-mediated ring cleavage of indole alkaloids leads to re-engineered antiplasmodial agents.","Organic & biomolecular chemistry","2024","22","42","8423","8436","10.1039/d4ob00853g","","","0.71073","MoKα","","0.0372","0.0322","","","0.0763","0.0798","","","","","","1.035","","","","has coordinates","296679","2024-12-06","20:36:08",""
"7160014","12.0982","0.0007","9.77","0.0006","16.981","0.001","90","","98.2052","0.0011","90","","1986.6","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H39 Cl6 I N2 O6 -","- C37 H39.003 Cl6.009 I N2 O6 -","- C74 H78.006 Cl12.018 I2 N4 O12 -","2","1","","Schultz, Daniel C.; Chávez-Riveros, Alejandra; Goertzen, 2nd, Michael G; Brummel, Beau R.; Paes, Raphaella A.; Santos, Natalia M.; Tenneti, Srinivasarao; Abboud, Khalil A.; Rocca, James R.; Seabra, Gustavo; Li, Chenglong; Chakrabarti, Debopam; Huigens, 3rd, Robert W","Chloroformate-mediated ring cleavage of indole alkaloids leads to re-engineered antiplasmodial agents.","Organic & biomolecular chemistry","2024","22","42","8423","8436","10.1039/d4ob00853g","","","0.71073","MoKα","","0.0346","0.0272","","","0.0513","0.0532","","","","","","1.035","","","","has coordinates,has disorder","296679","2024-12-06","20:36:08",""
"7160015","14.756","0.007","13.906","0.007","15.357","0.008","90","","98.02","0.017","90","","3120","3","299","2","299","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H25 Cl3 F3 N O3 S -","- C31 H25 Cl3 F3 N O3 S -","- C124 H100 Cl12 F12 N4 O12 S4 -","4","1","","Wang, Xuecheng; Zhao, Ziyue; Guo, Jiajie; Wang, Jijin; Zhao, Jincan","Synthesis of 3-sulfonylisoindolin-1-ones from olefinic amides and sodium sulfinates <i>via</i> electrooxidative tandem cyclization.","Organic & biomolecular chemistry","2024","22","29","5897","5901","10.1039/d4ob00980k","","","0.71073","MoKα","","0.1814","0.0949","","","0.2367","0.2895","","","","","","1.036","","","","has coordinates,has disorder","293918","2024-08-05","19:56:06",""
"7160016","15.8567","0.0006","9.2722","0.0004","9.8086","0.0004","90","","96.02","0.004","90","","1434.17","0.1","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","'6-benzyl-2-methylpyrazolo[1,5-c]quinazolin-5(6H)-one'","","- C18 H15 N3 O -","- C18 H15 N3 O -","- C72 H60 N12 O4 -","4","1","","Yan, Jun; Retailleau, Pascal; Tran, Christine; Hamze, Abdallah","Leveraging <i>in situ N</i>-tosylhydrazones as diazo surrogates for efficient access to pyrazolo-[1,5-<i>c</i>]quinazolinone derivatives.","Organic & biomolecular chemistry","2024","22","28","5816","5821","10.1039/d4ob00950a","","x-ray","0.71073","MoKα","","0.0377","0.0242","","","0.0441","0.0474","","","","","","1.0994","","","","has coordinates","293927","2024-08-05","19:57:27",""
"7160017","11.6424","0.0005","21.0313","0.0008","19.3533","0.0015","90","","90.006","0.004","90","","4738.7","0.5","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","SF-28-II","","- C58 H60 O4 -","- C58 H60 O4 -","- C232 H240 O16 -","4","1","","Fatma, Shaheen; Ahmad, Feroz; Pankhade, Yogesh A.; Ranga, Pavit K.; Vijaya Anand, Ramasamy","A HMPA-H<sub>2</sub>O mediated oxygenative carbocyclization of 2-alkynylphenyl-substituted <i>p</i>-quinone methides to indenones.","Organic & biomolecular chemistry","2024","22","29","5891","5896","10.1039/d4ob00966e","","x-ray","0.71073","MoKα","","0.1724","0.0835","","","0.2014","0.2625","","","","","","1.103","","","","has coordinates","293923","2024-08-05","19:56:40",""
"7160018","14.1166","0.0001","13.1507","0.0001","14.1709","0.0001","90","","98.716","0.001","90","","2600.35","0.03","100","0.16","100","0.16","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 N2 S -","- C36 H26 N2 S -","- C144 H104 N8 S4 -","4","1","","Wang, Xue-Long; Yang, Yi; Jiang, Yan","In(OTf)<sub>3</sub>-catalyzed formal (4 + 3) cycloaddition reactions of 3-benzylideneindoline-2-thiones with 2-indolylmethanols.","Organic & biomolecular chemistry","2024","22","29","5902","5906","10.1039/d4ob00897a","","x-ray","1.54184","CuKα","","0.0413","0.0391","","","0.0999","0.1013","","","","","","1.038","","","","has coordinates","293920","2024-08-05","19:56:19",""
"7160019","11.088","0.0007","6.883","0.0004","18.081","0.0009","90","","90","","90","","1379.92","0.14","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H10 Cl2 N2 O2 -","- C15 H10 Cl2 N2 O2 -","- C60 H40 Cl8 N8 O8 -","4","0.5","","Ren, Shaobo; Zhu, Jian; Liu, Yunkui","Trifunctionalization of CC bonds in vinyl azides to access densely functionalized phenanthridines enabled by the NCS/AgNO<sub>2</sub> system.","Organic & biomolecular chemistry","2024","22","29","5982","5986","10.1039/d4ob00905c","","","0.71073","MoKα","","0.089","0.0535","","","0.1242","0.159","","","","","","1.001","","","","has coordinates","293919","2024-08-05","19:56:12",""
"7160020","9.2774","0.0003","11.2639","0.0004","12.0479","0.0004","90","","90","","90","","1259","0.07","169","2","169","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","","Xie, Jia-Qi; Wang, Bing-Xia; Liang, Ren-Xiao; Jia, Yi-Xia","Copper-catalyzed asymmetric 1,2-arylboration of enamines: access to chiral borate-containing 3,3'-disubstituted isoindolinones.","Organic & biomolecular chemistry","2024","22","30","6085","6089","10.1039/d4ob00896k","","","1.54178","CuKα","","0.0492","0.0491","","","0.1198","0.1199","","","","","","1.256","","","","has coordinates","293940","2024-08-05","20:00:33",""
"7160021","5.3567","0.0002","14.2027","0.0005","21.0025","0.0008","90","","90.995","0.004","90","","1597.62","0.1","99.98","0.1","99.98","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","z","","- C17 H18 Cl N2 O S -","- C17 H17 Cl N2 O S -","- C68 H68 Cl4 N8 O4 S4 -","4","1","","Hu, Meiqian; Yang, Xiaolin; Zhang, Shuai; Qin, Changsheng; Zhang, Zhihua; Wang, Jingfang; Ji, Fanghua; Jiang, Guangbin","Electrochemical oxidative thioetherification of aldehyde hydrazones with thiophenols.","Organic & biomolecular chemistry","2024","22","29","5907","5912","10.1039/d4ob00833b","","x-ray","0.71073","MoKα","","0.0492","0.0371","","","0.0885","0.0949","","","","","","1.067","","","","has coordinates","293921","2024-08-05","19:56:25",""
"7160022","18.137","0.014","9.16","0.007","9.37","0.008","90","","90","","90","","1557","2","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C72 H64 N8 O12 -","4","1","","Li, Meng-Yuan; Chen, Peng; Pan, Ming-Xia; Hu, Hao-Lan; Jiang, Yi-Jun","Palladium-catalyzed amidation of carbazole derivatives <i>via</i> hydroamination of isocyanates.","Organic & biomolecular chemistry","2024","22","30","6090","6094","10.1039/d4ob00771a","","","0.71073","MoKα","","0.0506","0.0455","","","0.1293","0.1335","","","","","","1.603","","","","has coordinates","293939","2024-08-05","20:00:22",""
"7160023","7.914","0.006","12.745","0.01","13.674","0.011","75.055","0.016","78.771","0.016","84.956","0.016","1306","1.8","296","2","296","","","","","","","","","5","P -1","-P 1","2","","SBS-02-096","","- C28 H35 N3 O4 S -","- C28 H35 N3 O4 S -","- C56 H70 N6 O8 S2 -","2","1","","Salunke, Swati Bansi; Save, Shreyada N.; Roy, Naveen J.; Naorem, Ronedy; Sharma, Shilpy; Talukdar, Pinaki","Bisindole-based small molecules as transmembrane anion transporters and potential anticancer agents.","Organic & biomolecular chemistry","2024","22","24","4987","4992","10.1039/d4ob00554f","","","0.71073","MoKα","","0.3878","0.1692","","","0.2231","0.307","","","","","","1.016","","","","has coordinates","292748","2024-07-05","01:35:39",""
"7160024","16.843","0.008","13.341","0.007","16.884","0.007","90","","116.018","0.017","90","","3409","3","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 O2 -","- C23 H18 O2 -","- C184 H144 O16 -","8","2","","Reddy, Chada Raji; Kolgave, Dattahari H.; Fatima, Sana; Ramesh, Remya","Carbonylative cyclization of biaryl enones with aldehydes and oxamic acids.","Organic & biomolecular chemistry","2024","22","24","4901","4911","10.1039/d4ob00513a","","","0.71073","MoKα","","0.1086","0.0599","","","0.1243","0.1517","","","","","","1.071","","","","has coordinates","292749","2024-07-05","01:36:08",""
"7160025","18.905","0.006","7.073","0.002","18.994","0.007","90","","90","","90","","2539.8","1.4","294","2","294","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H14 O2 -","- C17 H14 O2 -","- C136 H112 O16 -","8","1","","Reddy, Chada Raji; Kolgave, Dattahari H.; Fatima, Sana; Ramesh, Remya","Carbonylative cyclization of biaryl enones with aldehydes and oxamic acids.","Organic & biomolecular chemistry","2024","22","24","4901","4911","10.1039/d4ob00513a","","","0.71073","MoKα","","0.0873","0.0471","","","0.1234","0.15","","","","","","1.04","","","","has coordinates","292749","2024-07-05","01:36:09",""
"7160026","9.361","0.0007","11.2049","0.0008","11.6661","0.0009","103.78","0.003","93.986","0.003","114.062","0.002","1065.83","0.14","298","2","298","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H21 Cl O4 -","- C25 H21 Cl O4 -","- C50 H42 Cl2 O8 -","2","1","","Mandal, Arnab; Singh, Satyajit; Arora, Arisha; Nambiar, Sujisha S.; Ghosh, Siddhartha S.; Khan, Abu Taleb","L-Proline-catalysed synthesis of chromeno[2,3-<i>b</i>]chromene from 4-hydroxy-2<i>H</i>-chromene-2-thione and an anti-proliferative study.","Organic & biomolecular chemistry","2024","22","26","5333","5345","10.1039/d4ob00509k","","","0.71073","MoKα","","0.0728","0.0573","","","0.159","0.1692","","","","","","1.0368","","","","has coordinates","292750","2024-07-05","01:37:40",""
"7160027","9.1059","0.0015","21.916","0.004","10.1282","0.0017","90","","105.051","0.005","90","","1951.9","0.6","296","2","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Cl O4 -","- C24 H19 Cl O4 -","- C96 H76 Cl4 O16 -","4","1","","Mandal, Arnab; Singh, Satyajit; Arora, Arisha; Nambiar, Sujisha S.; Ghosh, Siddhartha S.; Khan, Abu Taleb","L-Proline-catalysed synthesis of chromeno[2,3-<i>b</i>]chromene from 4-hydroxy-2<i>H</i>-chromene-2-thione and an anti-proliferative study.","Organic & biomolecular chemistry","2024","22","26","5333","5345","10.1039/d4ob00509k","","","0.71073","MoKα","","0.1056","0.0896","","","0.2752","0.2848","","","","","","1.0494","","","","has coordinates","292750","2024-07-05","01:37:47",""
"7160028","5.7063","0.0004","7.9223","0.0004","32.7085","0.0016","90","","90","","90","","1478.65","0.15","170","0.1","170","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Br N O2 -","- C17 H16 Br N O2 -","- C68 H64 Br4 N4 O8 -","4","1","","Liang, Yu-Jing; Gao, Yuan-Yuan; Han, Hua-Bo; Li, Lu; Liu, Lantao","Enantioselective synthesis of 4-aryl-3,4-dihydrocoumarins <i>via</i> N-heterocyclic carbene catalyzed β-arylation/cyclization of α-bromoenals.","Organic & biomolecular chemistry","2024","22","25","5101","5104","10.1039/d4ob00756e","","x-ray","0.71073","MoKα","","0.054","0.0406","","","0.0789","0.0825","","","","","","1.04","","","","has coordinates","292751","2024-07-05","01:38:35",""
"7160029","10.2643","0.0005","9.0256","0.0005","21.2231","0.0013","90","","94.116","0.002","90","","1961.07","0.19","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 Br2 O2 -","- C23 H18 Br2 O2 -","- C92 H72 Br8 O8 -","4","1","","Hu, Teng; Zhao, Yuxuan; Luo, Xiaoyan; Li, Zhong; Yang, Wu-Lin","Brønsted acid catalyzed [4 + 2] cycloaddition for the synthesis of bisbenzannulated spiroketals with antifungal activities.","Organic & biomolecular chemistry","2024","22","23","4656","4661","10.1039/d4ob00584h","","","0.71073","MoKα","","0.0587","0.0345","","","0.0681","0.0772","","","","","","1.021","","","","has coordinates","292752","2024-07-05","01:40:36",""
"7160030","12.252","0.003","13.066","0.004","17.157","0.005","103.8","0.009","93.677","0.008","104.184","0.008","2564","1.3","160.03","","160.03","","","","","","","","","5","P -1","-P 1","2","","","","- C55 H68 Cl3 N5 O5 -","- C55 H68 Cl3 N5 O5 -","- C110 H136 Cl6 N10 O10 -","2","1","","Roy, Anik; Halder, Dibakar; Patra, Ashoke Kumar; Frontera, Antonio; Saha, Indrajit","N-Confused strapped calix[4]pyrrole: the missing member of calix[4]pyrrole chemistry.","Organic & biomolecular chemistry","2024","22","41","8249","8254","10.1039/d4ob00799a","","x-ray","0.71073","MoKα","","0.1041","0.0736","","","0.1861","0.2195","","","","","","1.025","","","","has coordinates","296665","2024-12-06","20:34:08",""
"7160031","38.9398","0.0015","11.4985","0.0004","25.6469","0.0011","90","","124.788","0.003","90","","9430.9","0.7","273.15","","273.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2","","- C54 H65 N5 O4 -","- C54 H65 N5 O4 -","- C432 H520 N40 O32 -","8","1","","Roy, Anik; Halder, Dibakar; Patra, Ashoke Kumar; Frontera, Antonio; Saha, Indrajit","N-Confused strapped calix[4]pyrrole: the missing member of calix[4]pyrrole chemistry.","Organic & biomolecular chemistry","2024","22","41","8249","8254","10.1039/d4ob00799a","","","0.71073","MoKα","","0.2529","0.1171","","","0.2835","0.3499","","","","","","1.035","","","","has coordinates,has disorder","296665","2024-12-06","20:34:08",""
"7160032","10.66903","0.00006","13.58537","0.00006","11.39283","0.00005","90","","102.886","0.0005","90","","1609.72","0.014","100","0.2","100","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H12 Cl N3 -","- C20 H12 Cl N3 -","- C80 H48 Cl4 N12 -","4","2","","Pospíšilová, Jana; Heger, Tomáš; Kurka, Ondřej; Kvasnicová, Marie; Chládková, Anna; Nemec, Ivan; Rárová, Lucie; Cankař, Petr","Atropisomeric 1-phenylbenzimidazoles affecting microtubule organization: influence of axial chirality.","Organic & biomolecular chemistry","2024","22","34","6966","6980","10.1039/d4ob00863d","","","1.54184","CuKα","","0.0243","0.0242","","","0.062","0.0621","","","","","","1.034","","","","has coordinates","294640","2024-09-06","01:58:41",""
"7160033","8.66885","0.00004","10.22838","0.00006","18.76755","0.0001","90","","90","","90","","1664.09","0.015","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H12 Cl I N2 -","- C19 H12 Cl I N2 -","- C76 H48 Cl4 I4 N8 -","4","1","","Pospíšilová, Jana; Heger, Tomáš; Kurka, Ondřej; Kvasnicová, Marie; Chládková, Anna; Nemec, Ivan; Rárová, Lucie; Cankař, Petr","Atropisomeric 1-phenylbenzimidazoles affecting microtubule organization: influence of axial chirality.","Organic & biomolecular chemistry","2024","22","34","6966","6980","10.1039/d4ob00863d","","","1.54184","CuKα","","0.0174","0.0174","","","0.046","0.046","","","","","","1.116","","","","has coordinates","294640","2024-09-06","01:58:41",""
"7160034","24.42","0.003","9.1758","0.0011","13.2477","0.0017","90","","96.449","0.004","90","","2949.7","0.6","294","2","294","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 O4 -","- C18 H14 O4 -","- C144 H112 O32 -","8","1","","Prasanna, Ram; Banik, Swarnayu; Ajay, Chidrawar; Sridhar, B.; Mohapatra, Debendra K.; Subba Reddy, B. V.","Catalyst-free photoarylation of 2-aryl-2<i>H</i>-indazoles by carbon-iodine bond activation.","Organic & biomolecular chemistry","2024","22","30","6129","6134","10.1039/d4ob00820k","","","0.71073","MoKα","","0.1078","0.0511","","","0.1332","0.1778","","","","","","1.018","","","","has coordinates","293942","2024-08-05","20:00:48",""
"7160035","9.524","0.0008","17.8288","0.0015","10.8518","0.0009","90","","90.262","0.001","90","","1842.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 N O S2 -","- C24 H17 N O S2 -","- C96 H68 N4 O4 S8 -","4","1","","Lupi, Michela; Fabbri, Mosè; Mazzeo, Giuseppe; Longhi, Giovanna; Abbate, Sergio; Viglianisi, Caterina; Menichetti, Stefano","Organocatalytic hydrogen bond donor/Lewis base (HBD/LB) synthesis and chiroptical properties of thiabridged [5]helicenes.","Organic & biomolecular chemistry","2024","22","35","7154","7163","10.1039/d4ob00979g","","","1.54178","CuKα","","0.0602","0.054","","","0.1464","0.1513","","","","","","1.04","","","","has coordinates","295340","2024-10-06","09:18:24",""
"7160036","11.7341","0.0005","14.1653","0.0006","13.033","0.0005","90","","101.495","0.002","90","","2122.86","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N O3 S2 -","- C26 H21 N O3 S2 -","- C104 H84 N4 O12 S8 -","4","1","","Lupi, Michela; Fabbri, Mosè; Mazzeo, Giuseppe; Longhi, Giovanna; Abbate, Sergio; Viglianisi, Caterina; Menichetti, Stefano","Organocatalytic hydrogen bond donor/Lewis base (HBD/LB) synthesis and chiroptical properties of thiabridged [5]helicenes.","Organic & biomolecular chemistry","2024","22","35","7154","7163","10.1039/d4ob00979g","","","1.54178","CuKα","","0.0426","0.0399","","","0.1062","0.1087","","","","","","1.028","","","","has coordinates","295340","2024-10-06","09:18:24",""
"7160037","10.1057","0.0006","14.2072","0.0008","16.1701","0.0009","75.486","0.002","74.112","0.002","83.093","0.002","2158.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H42 N2 O6 S4 -","- C52 H42 N2 O6 S4 -","- C104 H84 N4 O12 S8 -","2","1","","Lupi, Michela; Fabbri, Mosè; Mazzeo, Giuseppe; Longhi, Giovanna; Abbate, Sergio; Viglianisi, Caterina; Menichetti, Stefano","Organocatalytic hydrogen bond donor/Lewis base (HBD/LB) synthesis and chiroptical properties of thiabridged [5]helicenes.","Organic & biomolecular chemistry","2024","22","35","7154","7163","10.1039/d4ob00979g","","","1.54178","CuKα","","0.0598","0.058","","","0.1515","0.153","","","","","","1.04","","","","has coordinates","295340","2024-10-06","09:18:24",""
"7160038","21.3851","0.0007","5.2927","0.0001","18.3278","0.0006","90","","111.34","0.004","90","","1932.2","0.11","297.46","0.1","297.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C11 H13 N O -","- C11 H13 N O -","- C88 H104 N8 O8 -","8","1","","Saha, Ratnakar; Hembram, Bhairab Chand; Panda, Surajit; Jana, Narayan Ch; Bagh, Bidraha","Iron- and base-catalyzed <i>C</i>(α)-alkylation and one-pot sequential alkylation-hydroxylation of oxindoles with secondary alcohols.","Organic & biomolecular chemistry","2024","22","31","6321","6330","10.1039/d4ob00957f","","","1.54184","CuKα","","0.0473","0.0403","","","0.1097","0.1157","","","","","","1.055","","","","has coordinates","294633","2024-09-06","01:57:00",""
"7160039","10.9223","0.0002","5.9756","0.0001","18.2274","0.0004","90","","103.405","0.002","90","","1157.24","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 Cl N O -","- C13 H14 Cl N O -","- C52 H56 Cl4 N4 O4 -","4","1","","Saha, Ratnakar; Hembram, Bhairab Chand; Panda, Surajit; Jana, Narayan Ch; Bagh, Bidraha","Iron- and base-catalyzed <i>C</i>(α)-alkylation and one-pot sequential alkylation-hydroxylation of oxindoles with secondary alcohols.","Organic & biomolecular chemistry","2024","22","31","6321","6330","10.1039/d4ob00957f","","x-ray","1.54184","CuKα","","0.0386","0.0364","","","0.0998","0.1017","","","","","","1.068","","","","has coordinates","294633","2024-09-06","01:57:00",""
"7160040","7.2634","0.0002","24.2647","0.0007","14.6681","0.0004","90","","95.182","0.002","90","","2574.6","0.12","100.04","0.1","100.04","0.1","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C32 H30 N2 O4 -","- C32 H30 N2 O4 -","- C128 H120 N8 O16 -","4","1","","Saha, Ratnakar; Hembram, Bhairab Chand; Panda, Surajit; Jana, Narayan Ch; Bagh, Bidraha","Iron- and base-catalyzed <i>C</i>(α)-alkylation and one-pot sequential alkylation-hydroxylation of oxindoles with secondary alcohols.","Organic & biomolecular chemistry","2024","22","31","6321","6330","10.1039/d4ob00957f","","x-ray","1.54184","CuKα","","0.0485","0.0436","","","0.1102","0.1155","","","","","","1.074","","","","has coordinates","294633","2024-09-06","01:57:00",""
"7160041","9.6728","0.0003","10.3643","0.0003","11.0212","0.0002","104.386","0.003","112.313","0.003","90.028","0.003","984.56","0.05","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 N S Sb -","- C24 H26 N S Sb -","- C48 H52 N2 S2 Sb2 -","2","1","","Wang, Zixiu; Huang, Yan; Deng, Dandan; Li, Shan; Yu, Yimei; Ye, Yifei; Chen, Yi; Lei, Jian","Facile synthesis and antifungal evaluation of hypervalent organoantimony(iii) and organobismuth(iii) thioates with tridentate C,N,C-coordinating ligands","Organic & Biomolecular Chemistry","2024","22","35","7164","7172","10.1039/D4OB00702F","","","","","","0.121","","","","","","","","","","","","","","","has coordinates,has disorder","295337","2024-10-06","09:17:50",""
"7160042","10.3272","0.0004","11.29","0.0004","12.587","0.0003","92.032","0.002","100.634","0.003","108.806","0.003","1358.24","0.08","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H25 Bi Cl3 N S -","- C28 H25 Bi Cl3 N S -","- C56 H50 Bi2 Cl6 N2 S2 -","2","1","","Wang, Zixiu; Huang, Yan; Deng, Dandan; Li, Shan; Yu, Yimei; Ye, Yifei; Chen, Yi; Lei, Jian","Facile synthesis and antifungal evaluation of hypervalent organoantimony(iii) and organobismuth(iii) thioates with tridentate C,N,C-coordinating ligands","Organic & Biomolecular Chemistry","2024","22","35","7164","7172","10.1039/D4OB00702F","","","","","","0.052","","","","","","","","","","","","","","","has coordinates,has disorder","295337","2024-10-06","09:17:52",""
"7160043","7.806","0.0001","13.5247","0.0001","21.4223","0.0002","90","","96.214","0.001","90","","2248.35","0.04","293","0.1","293","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 Bi Cl N S -","- C26 H21 Bi Cl N S -","- C104 H84 Bi4 Cl4 N4 S4 -","4","1","","Wang, Zixiu; Huang, Yan; Deng, Dandan; Li, Shan; Yu, Yimei; Ye, Yifei; Chen, Yi; Lei, Jian","Facile synthesis and antifungal evaluation of hypervalent organoantimony(iii) and organobismuth(iii) thioates with tridentate C,N,C-coordinating ligands","Organic & Biomolecular Chemistry","2024","22","35","7164","7172","10.1039/D4OB00702F","","x-ray","1.54184","CuKα","","0.028","0.0269","","","0.0683","0.0691","","","","","","1.094","","","","has coordinates","295337","2024-10-06","09:17:53",""
"7160044","8.6562","0.0006","11.0892","0.0006","13.6698","0.0009","71.649","0.002","79.384","0.003","83.229","0.002","1221.6","0.14","299","2","299","","","","","","","","","3","P -1","-P 1","2","","trans-cyclopropane","","- C30 H26 O6 -","- C30 H26 O6 -","- C60 H52 O12 -","2","1","","Deshwal, Shalu; Gopalakrishnan, Dinesh Kumar; Purohit, Alok; Karmakar, Tarak; Vaitla, Janakiram","Diastereoselective cyclopropanation of α,β-unsaturated carbonyl compounds with vinyl sulfoxonium ylides.","Organic & biomolecular chemistry","2024","22","31","6294","6307","10.1039/d4ob00677a","","","0.71073","MoKα","","0.0703","0.0482","","","0.1281","0.1551","","","","","","0.866","","","","has coordinates,has disorder","294630","2024-09-06","01:56:31",""
"7160045","18.8323","0.0008","10.3176","0.0004","10.7363","0.0004","90","","90","","90","","2086.11","0.14","297","2","297","","","","","","","","","3","P c a 21","P 2c -2ac","29","","cis-cyclopropane","","- C26 H22 O3 -","- C26 H22 O3 -","- C104 H88 O12 -","4","1","","Deshwal, Shalu; Gopalakrishnan, Dinesh Kumar; Purohit, Alok; Karmakar, Tarak; Vaitla, Janakiram","Diastereoselective cyclopropanation of α,β-unsaturated carbonyl compounds with vinyl sulfoxonium ylides.","Organic & biomolecular chemistry","2024","22","31","6294","6307","10.1039/d4ob00677a","","","0.71073","MoKα","","0.0668","0.0466","","","0.1011","0.1112","","","","","","1.056","","","","has coordinates","294630","2024-09-06","01:56:31",""
"7160046","12.9151","0.0017","15.309","0.002","14.3386","0.0018","90","","98.673","0.002","90","","2802.6","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3.87 H3.63 F0.13 N0.25 O0.75 S0.13 -","- C3.875 H3.625 F0.125 N0.25 O0.75 S0.125 -","- C124 H116 F4 N8 O24 S4 -","32","8","","Wang, Wei; Zheng, Lan; Liang, Wen-Jie; Fu, Xin-Yi; Zhang, Yu-Qing; Meng, Ru-Fang; Zhang, Huan; Lin, Chenxiang; Su, Wei; Xiao, Jun-An","Au(I)/Sc(III)-co-catalyzed tandem spiroannulation/cycloisomerization of 3-(2-ethynylaryl)-<i>N</i>-tosylaziridines with indoles to access 5<i>H</i>-benzo[<i>b</i>]carbazoles.","Organic & biomolecular chemistry","2024","22","29","5999","6003","10.1039/d4ob00782d","","","0.71073","MoKα","","0.1341","0.0609","","","0.1366","0.1768","","","","","","1.051","","","","has coordinates","293922","2024-08-05","19:56:32",""
"7160047","8.2463","0.001","10.1584","0.0013","12.501","0.0015","67.384","0.001","76.173","0.002","84.943","0.002","938.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H18 N2 O0 -","- C25 H18 N2 -","- C50 H36 N4 -","2","1","","Wang, Wei; Zheng, Lan; Liang, Wen-Jie; Fu, Xin-Yi; Zhang, Yu-Qing; Meng, Ru-Fang; Zhang, Huan; Lin, Chenxiang; Su, Wei; Xiao, Jun-An","Au(I)/Sc(III)-co-catalyzed tandem spiroannulation/cycloisomerization of 3-(2-ethynylaryl)-<i>N</i>-tosylaziridines with indoles to access 5<i>H</i>-benzo[<i>b</i>]carbazoles.","Organic & biomolecular chemistry","2024","22","29","5999","6003","10.1039/d4ob00782d","","","0.71073","MoKα","","0.0703","0.0462","","","0.1231","0.1364","","","","","","1.005","","","","has coordinates","293922","2024-08-05","19:56:33",""
"7160048","9.4792","0.0014","13.0255","0.0019","15.078","0.002","66.132","0.002","81.509","0.003","69.931","0.003","1599","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 N2 O7 S -","- C32 H32 N2 O7 S -","- C64 H64 N4 O14 S2 -","2","1","","Wang, Wei; Zheng, Lan; Liang, Wen-Jie; Fu, Xin-Yi; Zhang, Yu-Qing; Meng, Ru-Fang; Zhang, Huan; Lin, Chenxiang; Su, Wei; Xiao, Jun-An","Au(I)/Sc(III)-co-catalyzed tandem spiroannulation/cycloisomerization of 3-(2-ethynylaryl)-<i>N</i>-tosylaziridines with indoles to access 5<i>H</i>-benzo[<i>b</i>]carbazoles.","Organic & biomolecular chemistry","2024","22","29","5999","6003","10.1039/d4ob00782d","","","0.71073","MoKα","","0.1044","0.0692","","","0.2005","0.2199","","","","","","1.094","","","","has coordinates","293922","2024-08-05","19:56:33",""
"7160049","9.4686","0.0003","9.5459","0.0004","14.1712","0.0005","90.7407","0.0019","94.8288","0.0017","107.163","0.0016","1218.54","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 N4 O2 -","- C32 H24 N4 O2 -","- C64 H48 N8 O4 -","2","1","","Brown, Emily B.; Gapare, Rosinah Liandrah; Campbell, Jacob W.; Alkaş, Adil; Sequeira, Steve; Hilborn, James W.; Greening, Sarah M.; Robertson, Katherine N.; Thompson, Alison","A mild synthetic route to α-nitroso diaryl pyrroles.","Organic & biomolecular chemistry","2024","22","30","6122","6128","10.1039/d4ob00935e","","","1.54178","CuKα","","0.0937","0.0681","","","0.125","0.146","","","","","","1.206","","","","has coordinates","293941","2024-08-05","20:00:40",""
"7160050","10.8638","0.0005","12.168","0.0006","16.7951","0.0008","73.7257","0.0017","84.4334","0.0017","82.2936","0.0017","2107.82","0.18","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H50 N6 O10 -","- C44 H50 N6 O10 -","- C88 H100 N12 O20 -","2","1","","Brown, Emily B.; Gapare, Rosinah Liandrah; Campbell, Jacob W.; Alkaş, Adil; Sequeira, Steve; Hilborn, James W.; Greening, Sarah M.; Robertson, Katherine N.; Thompson, Alison","A mild synthetic route to α-nitroso diaryl pyrroles.","Organic & biomolecular chemistry","2024","22","30","6122","6128","10.1039/d4ob00935e","","","0.71073","MoKα","","0.0931","0.0644","","","0.1613","0.2034","","","","","","1.122","","","","has coordinates,has disorder","293941","2024-08-05","20:00:42",""
"7160051","9.79364","0.00019","10.5919","0.0002","14.5081","0.0003","90","","95.211","0.007","90","","1498.75","0.05","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H37 O P -","- C38 H37 O P -","- C76 H74 O2 P2 -","2","1","","Kitagaki, Shinji; Nakayoshi, Tomoki; Masunaka, Sota; Uchida, Akane; Inano, Mai; Yoshida, Emika; Washino, Yusuke; Aoyama, Hiroshi; Yoshida, Keisuke","Highly regio- and stereoselective (3 + 2) annulation reaction of allenoates with 3-methyleneindolin-2-ones catalyzed by a planar chiral [2.2]paracyclophane-based bifunctional phosphine-phenol catalyst.","Organic & biomolecular chemistry","2024","22","38","7817","7833","10.1039/d4ob00831f","","","1.54187","CuKα","","0.0471","0.046","","","0.1154","0.116","","","","","","1.104","","","","has coordinates","295344","2024-10-06","09:19:04",""
"7160052","9.2471","0.0002","10.8522","0.0003","11.3167","0.0003","64.284","0.005","80.943","0.006","65.621","0.005","931.61","0.07","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N O4 -","- C23 H21 N O4 -","- C46 H42 N2 O8 -","2","1","","Kitagaki, Shinji; Nakayoshi, Tomoki; Masunaka, Sota; Uchida, Akane; Inano, Mai; Yoshida, Emika; Washino, Yusuke; Aoyama, Hiroshi; Yoshida, Keisuke","Highly regio- and stereoselective (3 + 2) annulation reaction of allenoates with 3-methyleneindolin-2-ones catalyzed by a planar chiral [2.2]paracyclophane-based bifunctional phosphine-phenol catalyst.","Organic & biomolecular chemistry","2024","22","38","7817","7833","10.1039/d4ob00831f","","","1.54187","CuKα","","0.0546","0.0514","","","0.1355","0.1382","","","","","","1.041","","","","has coordinates","295344","2024-10-06","09:19:07",""
"7160053","13.0103","0.0008","17.384","0.0011","17.8554","0.0011","88.347","0.006","69.418","0.005","88.399","0.006","3778.3","0.4","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N O4 -","- C23 H21 N O4 -","- C184 H168 N8 O32 -","8","4","","Kitagaki, Shinji; Nakayoshi, Tomoki; Masunaka, Sota; Uchida, Akane; Inano, Mai; Yoshida, Emika; Washino, Yusuke; Aoyama, Hiroshi; Yoshida, Keisuke","Highly regio- and stereoselective (3 + 2) annulation reaction of allenoates with 3-methyleneindolin-2-ones catalyzed by a planar chiral [2.2]paracyclophane-based bifunctional phosphine-phenol catalyst.","Organic & biomolecular chemistry","2024","22","38","7817","7833","10.1039/d4ob00831f","","","1.54187","CuKα","","0.1409","0.1191","","","0.3659","0.3774","","","","","","1.075","","","","has coordinates,has disorder","295344","2024-10-06","09:19:17",""
"7160054","8.4579","0.0001","11.1076","0.0002","11.4172","0.0002","86.767","0.001","79.589","0.001","76.363","0.001","1025.11","0.03","295.77","0.03","295.77","0.03","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N3 O3 S -","- C23 H21 N3 O3 S -","- C46 H42 N6 O6 S2 -","2","1","","Natarajan, Pradeep; Chatterjee, Arpita; J, Siddharth Jaya Sajeevan; Peruncheralathan, Saravanan","Unexpected dearomatization of <i>N</i>-protected 5-aminopyrazoles at ambient temperature: a simple route to highly functionalized pyrazolines.","Organic & biomolecular chemistry","2024","22","31","6288","6293","10.1039/d4ob00879k","","x-ray","1.54184","CuKα","","0.0612","0.0557","","","0.1624","0.1736","","","","","","1.0332","","","","has coordinates,has disorder","294629","2024-09-06","01:56:23",""
"7160055","13.6412","0.0004","10.7301","0.0002","16.2702","0.0004","90","","101.061","0.003","90","","2337.25","0.1","259","8","259","8","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 N3 O4 S -","- C25 H23 N3 O4 S -","- C100 H92 N12 O16 S4 -","4","1","","Natarajan, Pradeep; Chatterjee, Arpita; J, Siddharth Jaya Sajeevan; Peruncheralathan, Saravanan","Unexpected dearomatization of <i>N</i>-protected 5-aminopyrazoles at ambient temperature: a simple route to highly functionalized pyrazolines.","Organic & biomolecular chemistry","2024","22","31","6288","6293","10.1039/d4ob00879k","","","1.54184","CuKα","","0.0434","0.0408","","","0.1191","0.1217","","","","","","1.052","","","","has coordinates","294629","2024-09-06","01:56:23",""
"7160056","12.3207","0.0004","5.5406","0.0002","22.9882","0.0008","90","","105.284","0.004","90","","1513.76","0.09","101","2","101","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C76 H64 N8 O12 -","4","1","","Natarajan, Pradeep; Chatterjee, Arpita; J, Siddharth Jaya Sajeevan; Peruncheralathan, Saravanan","Unexpected dearomatization of <i>N</i>-protected 5-aminopyrazoles at ambient temperature: a simple route to highly functionalized pyrazolines.","Organic & biomolecular chemistry","2024","22","31","6288","6293","10.1039/d4ob00879k","","x-ray","0.71073","MoKα","","0.0411","0.0359","","","0.0922","0.0957","","","","","","1.0367","","","","has coordinates","294629","2024-09-06","01:56:24",""
"7160057","9.4999","0.0001","13.2071","0.0003","17.4714","0.0003","96.635","0.001","100.372","0.001","91.122","0.001","2139.98","0.07","297.9","0.2","297.9","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H44 N6 O4 S2 -","- C48 H44 N6 O4 S2 -","- C96 H88 N12 O8 S4 -","2","1","","Natarajan, Pradeep; Chatterjee, Arpita; J, Siddharth Jaya Sajeevan; Peruncheralathan, Saravanan","Unexpected dearomatization of <i>N</i>-protected 5-aminopyrazoles at ambient temperature: a simple route to highly functionalized pyrazolines.","Organic & biomolecular chemistry","2024","22","31","6288","6293","10.1039/d4ob00879k","","x-ray","1.54184","CuKα","","0.0439","0.0417","","","0.1169","0.1187","","","","","","1.0372","","","","has coordinates,has disorder","294629","2024-09-06","01:56:24",""
"7160058","15.9994","0.0008","11.023","0.0006","19.3105","0.0009","90","","90","","90","","3405.6","0.3","200","","200","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H18 F N O -","- C22 H18 F N O -","- C176 H144 F8 N8 O8 -","8","1","","Hao, Erxiao; Kong, Xiaomei; Xu, Tongyu; Zeng, Fanlong","Synthesis of indolines <i>via</i> palladium-catalyzed [4 + 1] annulation of (2-aminophenyl)methanols with sulfoxonium ylides.","Organic & biomolecular chemistry","2024","22","31","6342","6351","10.1039/d4ob00983e","","","1.34139","GaKα","","0.0441","0.0394","","","0.0968","0.1004","","","","","","1.072","","","","has coordinates","294635","2024-09-06","01:57:14",""
"7160059","10.207","0.0007","12.3855","0.0008","13.552","0.0007","90","","90","","90","","1713.23","0.18","298","2","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Br N4 O2 -","- C18 H17 Br N4 O2 -","- C72 H68 Br4 N16 O8 -","4","1","","Hajra, Arun Kumar; Ghosh, Prasanjit; Roy, Chandrayee; Kundu, Mrinalkanti; Ghosh, Shibaji; Das, Sajal","Copper(II)-catalyzed, site-selective C(sp)<sup>2</sup>-H amination using 8-aminoimidazo[1,2-<i>a</i>]pyridine (8-AIP) as a directing group.","Organic & biomolecular chemistry","2024","22","32","6617","6630","10.1039/d4ob01008f","","","0.71073","MoKα","","0.1066","0.0363","","","0.0777","0.0994","","","","","","1.064","","","","has coordinates","294620","2024-09-06","01:54:06",""
"7160060","14.2283","0.0006","14.9598","0.0006","20.4993","0.0008","90","","94.199","0.001","90","","4351.6","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H45 N3 O6 S3 -","- C45 H45 N3 O6 S3 -","- C180 H180 N12 O24 S12 -","4","1","","Gong, Yingbin; Yan, Leilei; Guo, Zhiqiang","Na<sub>2</sub>CO<sub>3</sub>-promoted synthesis of thiocarbamates from isocyanates and thiols under mild conditions.","Organic & biomolecular chemistry","2024","22","31","6277","6281","10.1039/d4ob01068j","","","0.71073","MoKα","","0.0854","0.0551","","","0.1306","0.1527","","","","","","1.017","","","","has coordinates","294636","2024-09-06","01:57:21",""
"7160061","13.3641","0.0008","11.7805","0.0007","8.6325","0.0005","90","","107.97","0.002","90","","1292.77","0.13","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N O2 S -","- C14 H13 N O2 S -","- C56 H52 N4 O8 S4 -","4","1","","Gong, Yingbin; Yan, Leilei; Guo, Zhiqiang","Na<sub>2</sub>CO<sub>3</sub>-promoted synthesis of thiocarbamates from isocyanates and thiols under mild conditions.","Organic & biomolecular chemistry","2024","22","31","6277","6281","10.1039/d4ob01068j","","","0.71073","MoKα","","0.0455","0.0381","","","0.1099","0.1149","","","","","","1.05","","","","has coordinates","294636","2024-09-06","01:57:22",""
"7160062","21.6934","0.0012","9.8813","0.0012","10.474","0.003","90","","101.399","0.006","90","","2200.9","0.7","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 N O3 -","- C26 H29 N O3 -","- C104 H116 N4 O12 -","4","1","","Raji Reddy, Chada; Edhara, Venkatareddy; Kumari, Ankita; Patil, Amol D.; Thandavamurthy, Karthikeyan","Entry to 4,5-fused coumarin frameworks <i>via</i> radical-promoted alkylative intramolecular C5-annulation.","Organic & biomolecular chemistry","2024","22","31","6385","6392","10.1039/d4ob00942h","","","0.71073","MoKα","","0.1669","0.0632","","","0.1164","0.1473","","","","","","0.994","","","","has coordinates","294631","2024-09-06","01:56:37",""
"7160063","6.1461","0.0006","19.503","0.003","19.67","0.002","90","","90","","90","","2357.8","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H24 N2 O -","- C31 H24 N2 O -","- C124 H96 N8 O4 -","4","1","","Nayak, Kalinga H.; Jijin, Robert K.; Sreelekha, Mariswamy K.; Babu, Beneesh P.","Copper-catalyzed aerobic annulation of hydrazones with dienones: an efficient route to pyrazole-linked hybrid molecules.","Organic & biomolecular chemistry","2024","22","32","6631","6637","10.1039/d4ob00825a","","","0.71073","MoKα","","0.1232","0.0539","","","0.1713","0.2488","","","","","","0.794","","","","has coordinates","294622","2024-09-06","01:54:19",""
"7160064","33.45","0.02","33.45","0.02","5.541","0.004","90","","90","","120","","5369","6","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C12 H11 N O4 -","- C12 H11 N O4 -","- C216 H198 N18 O72 -","18","1","","Sarmah, Debasish; Choudhury, Anup; Bora, Utpal","Palladium nanoparticle catalyzed synthesis of indoles <i>via</i> intramolecular Heck cyclisation.","Organic & biomolecular chemistry","2024","22","31","6419","6431","10.1039/d4ob01177e","","","0.71073","MoKα","","0.126","0.0781","","","0.2172","0.2473","","","","","","1.071","","","","has coordinates","294634","2024-09-06","01:57:08",""
"7160065","10.67","0.009","10.941","0.01","28.681","0.019","89.79","0.03","89.93","0.03","89.86","0.03","3348","5","299","","299","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H13 Cl N2 O4 -","- C19 H13 Cl N2 O4 -","- C152 H104 Cl8 N16 O32 -","8","4","","Liu, Huaqing; Yan, Qinqin; Zeng, Yanzhao; Hou, Xinyi; Wang, Ying; Li, Lijun; Li, Zejiang","Metal-free nitro/azido cyclization of 1-acryloyl-2-cyanoindoles to access NO<sub>2</sub>/N<sub>3</sub>-featuring pyrrolo[1,2-<i>a</i>] indolediones.","Organic & biomolecular chemistry","2024","22","32","6490","6494","10.1039/d4ob01001a","","","0.71073","MoKα","","0.1044","0.0556","","","0.1088","0.137","","","","","","1.1272","","","","has coordinates","294618","2024-09-06","01:53:52",""
"7160066","10.4371","0.0006","9.9381","0.0004","15.5195","0.0008","90","","104.104","0.004","90","","1561.23","0.14","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 F N2 O5 -","- C15 H17 F N2 O5 -","- C60 H68 F4 N8 O20 -","4","2","","Esteban, Alberto; Ortega, Pablo; Sanz, Francisca; Jambrina, Pablo G.; Díez, David","Crystallization-induced diastereomer transformation assists the diastereoselective synthesis of 4-nitroisoxazolidine scaffolds.","Organic & biomolecular chemistry","2024","22","32","6582","6592","10.1039/d4ob01014k","","","1.54178","CuKα","","0.0539","0.0397","","","0.0915","0.101","","","","","","1.046","","","","has coordinates","294621","2024-09-06","01:54:13",""
"7160067","6.3774","0.0003","8.9628","0.0005","13.9221","0.0007","90","","99.748","0.004","90","","784.29","0.07","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 F N2 O5 -","- C15 H17 F N2 O5 -","- C30 H34 F2 N4 O10 -","2","1","","Esteban, Alberto; Ortega, Pablo; Sanz, Francisca; Jambrina, Pablo G.; Díez, David","Crystallization-induced diastereomer transformation assists the diastereoselective synthesis of 4-nitroisoxazolidine scaffolds.","Organic & biomolecular chemistry","2024","22","32","6582","6592","10.1039/d4ob01014k","","","1.54178","CuKα","","0.0365","0.0316","","","0.0701","0.0728","","","","","","1.045","","","","has coordinates","294621","2024-09-06","01:54:13",""
"7160068","14.0244","0.0008","15.2683","0.0009","19.1822","0.0011","90","","105.697","0.002","90","","3954.3","0.4","273.15","","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 Cl3 N5 Zn -","- C17 H12 Cl3 N5 Zn -","- C136 H96 Cl24 N40 Zn8 -","8","1","","Jana, Debashis; Roy, Sima; Naskar, Srijita; Halder, Supriyo; Kanrar, Gopal; Pramanik, Kausikisankar","Potent pincer-zinc catalyzed homogeneous α-alkylation and Friedländer quinoline synthesis reaction of secondary alcohols/ketones with primary alcohols.","Organic & biomolecular chemistry","2024","22","31","6393","6408","10.1039/d4ob00988f","","","0.71073","MoKα","","0.0521","0.0425","","","0.0986","0.1045","","","","","","1.108","","","","has coordinates","294632","2024-09-06","01:56:48",""
"7160069","9.189","0.0014","5.6168","0.0009","24.833","0.004","90","","90.297","0.006","90","","1281.7","0.4","183.49","","183.49","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C2.46 H2.46 O0.31 -","- C2.46154 H2.46154 O0.307692 -","- C64 H64 O8 -","26","6.5","","Jana, Debashis; Roy, Sima; Naskar, Srijita; Halder, Supriyo; Kanrar, Gopal; Pramanik, Kausikisankar","Potent pincer-zinc catalyzed homogeneous α-alkylation and Friedländer quinoline synthesis reaction of secondary alcohols/ketones with primary alcohols.","Organic & biomolecular chemistry","2024","22","31","6393","6408","10.1039/d4ob00988f","","","0.71073","MoKα","","0.071","0.0543","","","0.1323","0.1479","","","","","","1.034","","","","has coordinates","294632","2024-09-06","01:56:48",""
"7160070","7.6371","0.0005","12.4931","0.0008","13.437","0.0008","90","","90","","90","","1282.04","0.14","273.15","","273.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H12 Cl N -","- C16 H12 Cl N -","- C64 H48 Cl4 N4 -","4","1","","Jana, Debashis; Roy, Sima; Naskar, Srijita; Halder, Supriyo; Kanrar, Gopal; Pramanik, Kausikisankar","Potent pincer-zinc catalyzed homogeneous α-alkylation and Friedländer quinoline synthesis reaction of secondary alcohols/ketones with primary alcohols.","Organic & biomolecular chemistry","2024","22","31","6393","6408","10.1039/d4ob00988f","","","0.71073","MoKα","","0.0578","0.0496","","","0.0976","0.1013","","","","","","1.21","","","","has coordinates","294632","2024-09-06","01:56:48",""
"7160071","13.2739","0.0004","13.0215","0.0004","41.0373","0.0012","90","","90","","90","","7093.1","0.4","273.15","","273.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Crystal","","- C34 H26 Cl4 N10 Zn2 -","- C34 H26 Cl4 N10 Zn2 -","- C272 H208 Cl32 N80 Zn16 -","8","1","","Jana, Debashis; Roy, Sima; Naskar, Srijita; Halder, Supriyo; Kanrar, Gopal; Pramanik, Kausikisankar","Potent pincer-zinc catalyzed homogeneous α-alkylation and Friedländer quinoline synthesis reaction of secondary alcohols/ketones with primary alcohols.","Organic & biomolecular chemistry","2024","22","31","6393","6408","10.1039/d4ob00988f","","","0.71073","MoKα","","0.0423","0.0368","","","0.0827","0.0858","","","","","","1.191","","","","has coordinates","294632","2024-09-06","01:56:48",""
"7160072","16.5721","0.0019","8.3586","0.0008","17.0294","0.0019","90","","92.605","0.004","90","","2356.5","0.4","150","","150","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C23 H18 I2 O2 -","- C23 H18 I2 O2 -","- C92 H72 I8 O8 -","4","1","","Zhao, Jun-Bo; Yang, Jing-Kui","Synthesis of fused-pyran derivatives <i>via</i> a base-mediated annulation of bis-allenoates followed by auto-oxidation in air.","Organic & biomolecular chemistry","2024","22","32","6543","6549","10.1039/d4ob00835a","","","0.71073","MoKα","","0.0712","0.0524","","","0.1512","0.1651","","","","","","1.068","","","","has coordinates","294619","2024-09-06","01:53:59",""
"7160073","9.6264","0.0017","10.7417","0.0018","11.025","0.002","97.196","0.006","113.78","0.006","92.477","0.006","1029.5","0.3","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H19 F3 O4 -","- C25 H19 F3 O4 -","- C50 H38 F6 O8 -","2","1","","Zhao, Jun-Bo; Yang, Jing-Kui","Synthesis of fused-pyran derivatives <i>via</i> a base-mediated annulation of bis-allenoates followed by auto-oxidation in air.","Organic & biomolecular chemistry","2024","22","32","6543","6549","10.1039/d4ob00835a","","","0.71073","MoKα","","0.1031","0.0815","","","0.2446","0.2684","","","","","","1.07","","","","has coordinates,has disorder","294619","2024-09-06","01:54:00",""
"7160074","17.5169","0.0008","5.7876","0.0003","22.1074","0.0011","90","","102.879","0.002","90","","2184.88","0.19","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-(4-fluorophenyl)quinolin-2(1H)-one","","- C15 H10 F N O -","- C15 H10 F N O -","- C120 H80 F8 N8 O8 -","8","1","","Bettoni, Léo; Joly, Nicolas; Mendas, Inès; Moscogiuri, Matteo Maria; Lohier, Jean-François; Gaillard, Sylvain; Poater, Albert; Renaud, Jean-Luc","Iron-catalyzed synthesis of substituted 3-arylquinolin-2(1<i>H</i>)-ones <i>via</i> an intramolecular dehydrogenative coupling of amido-alcohols.","Organic & biomolecular chemistry","2024","22","34","6933","6940","10.1039/d4ob00649f","","","0.71073","MoKα","","0.0511","0.043","","","0.1106","0.1163","","","","","","1.033","","","","has coordinates","294638","2024-09-06","01:58:28",""
"7160075","17.8048","0.0014","5.7547","0.0005","21.5754","0.0016","90","","105.736","0.003","90","","2127.8","0.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-phenylquinolin-2(1H)-one","","- C15 H11 N O -","- C15 H11 N O -","- C120 H88 N8 O8 -","8","1","","Bettoni, Léo; Joly, Nicolas; Mendas, Inès; Moscogiuri, Matteo Maria; Lohier, Jean-François; Gaillard, Sylvain; Poater, Albert; Renaud, Jean-Luc","Iron-catalyzed synthesis of substituted 3-arylquinolin-2(1<i>H</i>)-ones <i>via</i> an intramolecular dehydrogenative coupling of amido-alcohols.","Organic & biomolecular chemistry","2024","22","34","6933","6940","10.1039/d4ob00649f","","","0.71073","MoKα","","0.0929","0.054","","","0.14","0.1635","","","","","","1.031","","","","has coordinates","294638","2024-09-06","01:58:29",""
"7160076","13.368","0.0014","4.2874","0.0005","19.184","0.002","90","","110.238","0.013","90","","1031.6","0.2","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N O4 -","- C11 H11 N O4 -","- C44 H44 N4 O16 -","4","1","","Jena, Chinmay K.; Sharma, Nagendra K.","Non-benzenoid <i>N</i>-aryl oxalamide: synthesis of troponyl-oxalamide peptides by Pd(II)-catalyzed C(sp<sup>3</sup>)-H functionalization of glycinamides.","Organic & biomolecular chemistry","2024","22","33","6822","6832","10.1039/d4ob00800f","","x-ray","0.71073","MoKα","","0.1037","0.0701","","","0.1816","0.2031","","","","","","1.008","","","","has coordinates","294624","2024-09-06","01:54:45",""
"7160077","13.8803","0.001","13.7121","0.0009","8.213","0.0005","90","","104.208","0.007","90","","1515.35","0.18","248","50","248","50","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C68 H64 N8 O12 -","4","1","","Jena, Chinmay K.; Sharma, Nagendra K.","Non-benzenoid <i>N</i>-aryl oxalamide: synthesis of troponyl-oxalamide peptides by Pd(II)-catalyzed C(sp<sup>3</sup>)-H functionalization of glycinamides.","Organic & biomolecular chemistry","2024","22","33","6822","6832","10.1039/d4ob00800f","","x-ray","0.71073","MoKα","","0.0697","0.0433","","","0.1122","0.1252","","","","","","1.045","","","","has coordinates","294624","2024-09-06","01:54:46",""
"7160078","12.9666","0.0011","13.3233","0.001","8.2903","0.0006","90","","102.069","0.008","90","","1400.56","0.19","292","3","292","3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H22 N2 O7 -","- C16 H14 N2 O3 -","- C64 H56 N8 O12 -","4","1","","Jena, Chinmay K.; Sharma, Nagendra K.","Non-benzenoid <i>N</i>-aryl oxalamide: synthesis of troponyl-oxalamide peptides by Pd(II)-catalyzed C(sp<sup>3</sup>)-H functionalization of glycinamides.","Organic & biomolecular chemistry","2024","22","33","6822","6832","10.1039/d4ob00800f","","","0.71073","MoKα","","0.0563","0.0417","","","0.1687","0.1942","","","","","","0.791","","","","has coordinates","294624","2024-09-06","01:54:46",""
"7160079","8.1779","0.0009","9.0116","0.0006","10.0761","0.0008","113.57","0.007","95.895","0.008","112.019","0.009","602.44","0.12","205","6","205.15","","","","","","","","","4","P -1","-P 1","2","","","","- C2.18 H2.18 N0.36 O0.91 -","- C2.18182 H2.18182 N0.363636 O0.909091 -","- C24 H24 N4 O10 -","11","5.5","","Jena, Chinmay K.; Sharma, Nagendra K.","Non-benzenoid <i>N</i>-aryl oxalamide: synthesis of troponyl-oxalamide peptides by Pd(II)-catalyzed C(sp<sup>3</sup>)-H functionalization of glycinamides.","Organic & biomolecular chemistry","2024","22","33","6822","6832","10.1039/d4ob00800f","","","0.71073","MoKα","","0.0764","0.0499","","","0.1214","0.1371","","","","","","1.033","","","","has coordinates","294624","2024-09-06","01:54:46",""
"7160080","7.0174","0.0002","19.6228","0.0004","19.9031","0.0005","90","","90","","90","","2740.68","0.12","193","14","193","14","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 N4 O10 -","- C26 H28 N4 O10 -","- C104 H112 N16 O40 -","4","1","","Jena, Chinmay K.; Sharma, Nagendra K.","Non-benzenoid <i>N</i>-aryl oxalamide: synthesis of troponyl-oxalamide peptides by Pd(II)-catalyzed C(sp<sup>3</sup>)-H functionalization of glycinamides.","Organic & biomolecular chemistry","2024","22","33","6822","6832","10.1039/d4ob00800f","","x-ray","1.54184","CuKα","","0.0497","0.0434","","","0.1179","0.123","","","","","","1.04","","","","has coordinates","294624","2024-09-06","01:54:46",""
"7160081","13.4678","0.0009","5.0155","0.0003","17.0923","0.001","90","","111.3","0.007","90","","1075.68","0.13","270","3","270","3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 N O3 Pd0.5 -","- C11 H12 N O3 Pd0.5 -","- C44 H48 N4 O12 Pd2 -","4","1","","Jena, Chinmay K.; Sharma, Nagendra K.","Non-benzenoid <i>N</i>-aryl oxalamide: synthesis of troponyl-oxalamide peptides by Pd(II)-catalyzed C(sp<sup>3</sup>)-H functionalization of glycinamides.","Organic & biomolecular chemistry","2024","22","33","6822","6832","10.1039/d4ob00800f","","x-ray","1.54184","CuKα","","0.0915","0.0756","","","0.2096","0.2286","","","","","","1.084","","","","has coordinates","294624","2024-09-06","01:54:46",""
"7160082","9.4997","0.0008","9.6206","0.0009","27.309","0.003","90","","90","","90","","2495.8","0.4","273.15","","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N3 O5 -","- C28 H27 N3 O5 -","- C112 H108 N12 O20 -","4","1","","Ahemad, Mohammed Ansar; Nayak, Sabita; Prusty, Kamalika; Panigrahi, Gopinatha; Mohapatra, Suhasini; Mohapatra, Seetaram","Design and synthesis of 1,2-dihydroquinoline/chromene fused sugar triazole frameworks by copper-catalyzed one-pot click and intramolecular arylation reactions.","Organic & biomolecular chemistry","2024","22","33","6748","6762","10.1039/d4ob00711e","","","0.71073","MoKα","","0.0561","0.0414","","","0.0947","0.1025","","","","","","1.047","","","","has coordinates","294627","2024-09-06","01:55:07",""
"7160083","10.83365","0.00016","14.19083","0.00019","11.90925","0.00015","90","","97.2955","0.0013","90","","1816.09","0.04","103","6","103","6","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C19 H25 N3 O2 -","- C19 H25 N3 O2 -","- C76 H100 N12 O8 -","4","1","","Chiu, Wei-Jung; Chu, Ting-Yen; Sun, Chung-Ming","Combinatorial synthesis of substituted pyrazolo-fused quinazolines by the Rh(III)-catalyzed [5 + 1] annulation of phenyl-1<i>H</i>-pyrazol-5-amine with alkynoates and alkynamides.","Organic & biomolecular chemistry","2024","22","33","6841","6846","10.1039/d4ob00516c","","x-ray","1.54184","CuKα","","0.0265","0.0259","","","0.0686","0.069","","","","","","1.046","","","","has coordinates","294628","2024-09-06","01:55:13",""
"7160084","8.111","0.003","11.691","0.004","20.374","0.007","90","","90","","90","","1932","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H42 N2 O6 S4 -","- C40 H42 N2 O6 S4 -","- C80 H84 N4 O12 S8 -","2","1","","Wang, Yunxiao; Xu, Ze-Feng; Chen, Jing; Yu, Mingming; Guo, Sheng-Rong; Li, Chuan-Ying","Rhodium-catalyzed intramolecular cyclization for synthesizing thiodihydropyrans.","Organic & biomolecular chemistry","2024","22","33","6695","6698","10.1039/d4ob01150c","","","0.71073","MoKα","","0.0998","0.0542","","","0.0931","0.1027","","","","","","0.919","","","","has coordinates","294626","2024-09-06","01:55:01",""
"7160085","10.1467","0.0005","10.3698","0.0005","11.2435","0.0005","75.044","0.002","76.595","0.002","76.84","0.002","1093.94","0.09","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H20 Br F2 N O2 -","- C25 H20 Br F2 N O2 -","- C50 H40 Br2 F4 N2 O4 -","2","1","","Huang, Tianjiao; Yin, Huiping; Li, Tuanjie; Yu, Chenxia; Zhang, Kai; Yao, Changsheng","NHC catalyzed radical tandem cyclization: an efficient synthesis of α,α-difluoro-γ-lactam derivatives.","Organic & biomolecular chemistry","2024","22","34","6988","6998","10.1039/d4ob01012d","","","0.71073","MoKα","","0.1403","0.082","","","0.1896","0.2325","","","","","","1.023","","","","has coordinates","294637","2024-09-06","01:58:21",""
"7160086","8.799","0.0013","25.874","0.004","10.0568","0.0014","90","","103.338","0.008","90","","2227.8","0.6","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 Br F2 N O2 -","- C25 H20 Br F2 N O2 -","- C100 H80 Br4 F8 N4 O8 -","4","1","","Huang, Tianjiao; Yin, Huiping; Li, Tuanjie; Yu, Chenxia; Zhang, Kai; Yao, Changsheng","NHC catalyzed radical tandem cyclization: an efficient synthesis of α,α-difluoro-γ-lactam derivatives.","Organic & biomolecular chemistry","2024","22","34","6988","6998","10.1039/d4ob01012d","","","0.71073","MoKα","","0.0962","0.0632","","","0.1616","0.1815","","","","","","1.098","","","","has coordinates","294637","2024-09-06","01:58:21",""
"7160087","16.79","0.002","9.1114","0.0012","10.3491","0.0013","90","","104.207","0.005","90","","1534.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C76 H68 N4 O16 -","4","1","","Chauhan, Amar Nath Singh; Vini, Vikrant; Kumar, Akhilesh; Erande, Rohan D.","Synthesis of indol-3-yl-benzofurans and carbazoles <i>via</i> Cu(OTf)<sub>2</sub>-catalyzed [3 + 2] and [4 + 2] cycloaddition.","Organic & biomolecular chemistry","2024","22","33","6690","6694","10.1039/d4ob00861h","","","0.71073","MoKα","","0.0693","0.0453","","","0.0974","0.1111","","","","","","1.057","","","","has coordinates","294625","2024-09-06","01:54:54",""
"7160088","14.203","0.003","12.372","0.003","25.592","0.005","90","","104.499","0.006","90","","4353.8","1.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22.5 N2 O4 -","- C26 H22.5 N2 O4 -","- C208 H180 N16 O32 -","8","2","","Chauhan, Amar Nath Singh; Vini, Vikrant; Kumar, Akhilesh; Erande, Rohan D.","Synthesis of indol-3-yl-benzofurans and carbazoles <i>via</i> Cu(OTf)<sub>2</sub>-catalyzed [3 + 2] and [4 + 2] cycloaddition.","Organic & biomolecular chemistry","2024","22","33","6690","6694","10.1039/d4ob00861h","","","0.71073","MoKα","","0.2916","0.1811","","","0.449","0.5306","","","","","","1.59","","","","has coordinates","294625","2024-09-06","01:54:55",""
"7160089","10.0201","0.001","13.7449","0.0013","13.8357","0.0013","114.915","0.006","92.11","0.005","92.923","0.005","1722.4","0.3","250","2","250","2","","","","","","","no","3","P -1","-P 1","2","2a","tricycloalkane","","- C64 H132 Si4 -","- C64 H132 Si4 -","- C64 H132 Si4 -","1","0.5","","Tu, Yuyang; Inagaki, Yusuke; Ohara, Kazuaki; Yamaguchi, Kentaro; Setaka, Wataru","Ring-closing metathesis of dialkenylcycloalkanes for the synthesis of fused bicycloalkanes and tricycloalkanes.","Organic & biomolecular chemistry","2024","22","34","6950","6954","10.1039/d4ob01143k","","","1.54178","CuKα","","0.1002","0.0731","","","0.1837","0.2109","","","","","","1.041","","","","has coordinates","294642","2024-09-06","01:58:59",""
"7160090","5.8392","0.0002","10.0661","0.0003","11.6107","0.0004","88.902","0.001","75.577","0.001","78.905","0.001","648.29","0.04","300","2","300","2","","","","","","","","4","P -1","-P 1","2","trans-3","trans-difluorodimethyldisilacyclodocosane","","- C22 H46 F2 Si2 -","- C22 H46 F2 Si2 -","- C22 H46 F2 Si2 -","1","0.5","","Tu, Yuyang; Inagaki, Yusuke; Ohara, Kazuaki; Yamaguchi, Kentaro; Setaka, Wataru","Ring-closing metathesis of dialkenylcycloalkanes for the synthesis of fused bicycloalkanes and tricycloalkanes.","Organic & biomolecular chemistry","2024","22","34","6950","6954","10.1039/d4ob01143k","","","1.54178","CuKα","","0.0433","0.0429","","","0.1275","0.1279","","","","","","1.075","","","","has coordinates","294642","2024-09-06","01:59:00",""
"7160091","14.9494","0.0004","8.4932","0.0002","66.5433","0.0018","90","","90","","90","","8448.9","0.4","200","2","200","2","","","","","","","no","3","P b c a","-P 2ac 2ab","61","2b","tricycloalkane","","- C80 H164 Si4 -","- C80 H164 Si4 -","- C320 H656 Si16 -","4","0.5","","Tu, Yuyang; Inagaki, Yusuke; Ohara, Kazuaki; Yamaguchi, Kentaro; Setaka, Wataru","Ring-closing metathesis of dialkenylcycloalkanes for the synthesis of fused bicycloalkanes and tricycloalkanes.","Organic & biomolecular chemistry","2024","22","34","6950","6954","10.1039/d4ob01143k","","","1.54178","CuKα","","0.0938","0.0672","","","0.1598","0.1759","","","","","","1.049","","","","has coordinates","294642","2024-09-06","01:59:00",""
"7160092","8.3863","0.0019","18.506","0.003","12.78","0.002","90","","108.742","0.007","90","","1878.2","0.6","149","","149","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 O4 S -","- C23 H18 O4 S -","- C92 H72 O16 S4 -","4","1","","Dapkekar, Anil Balajirao; Satyanarayana, Gedu","Electrochemically driven regioselective construction of 4-sulfenyl-isochromenones from <i>o</i>-alkynylbenzoates and diaryl disulfides.","Organic & biomolecular chemistry","2024","22","35","7111","7116","10.1039/d4ob01137f","","","0.71073","MoKα","","0.0659","0.0421","","","0.0895","0.1004","","","","","","1.015","","","","has coordinates","295335","2024-10-06","09:17:30",""
"7160093","16.1519","0.0017","9.96","0.0011","8.6943","0.0009","90","","98.929","0.01","90","","1381.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 F4 N O -","- C16 H9 F4 N O -","- C64 H36 F16 N4 O4 -","4","1","","Zhou, Yuan-Xia; Liu, Feng-Qian; Wang, Guo-Qin; Yang, Dan; Han, Pan; Jing, Lin-Hai","Photoredox-catalyzed C(sp<sup>2</sup>)-H trifluoromethylation of 3-methylene-isoindolin-1-ones under metal-free conditions.","Organic & biomolecular chemistry","2024","22","34","6928","6932","10.1039/d4ob01046a","","x-ray","0.71073","MoKα","","0.1344","0.0643","","","0.1069","0.1341","","","","","","1.046","","","","has coordinates","294639","2024-09-06","01:58:35",""
"7160094","6.0016","0.0004","11.876","0.0007","11.5703","0.0008","90","","90.548","0.002","90","","824.64","0.09","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H15 N2 P -","- C20 H15 N2 P -","- C40 H30 N4 P2 -","2","1","","Wang, Xin; Luo, Hui; Yang, Bo; Li, Ming; Ma, Yong-Jun; Wang, Xi-Cun; Quan, Zheng-Jun","Synthesis of 1,2,4-diazaphospholes <i>via</i> base-promoted cyclization reaction of hydrazonoyl chlorides and [Bu<sub>4</sub>N][P(SiCl<sub>3</sub>)<sub>2</sub>].","Organic & biomolecular chemistry","2024","22","35","7138","7142","10.1039/d4ob01260g","","","0.71073","MoKα","","0.0742","0.0435","","","0.0846","0.1008","","","","","","1.034","","","","has coordinates","295336","2024-10-06","09:17:36",""
"7160095","6.442","0.0002","14.9737","0.0005","17.2226","0.0007","90","","90","","90","","1661.3","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N3 O3 -","- C18 H19 N3 O3 -","- C72 H76 N12 O12 -","4","1","","Jahan, Kousar; Sood, Mehak; Jain, Osheen; Sahoo, Subash C.; Bharatam, Prasad V.","Directed regioselective arylation of imidazo[1,2-<i>a</i>]pyridine-3-carboxamides using Rh(III) catalysis.","Organic & biomolecular chemistry","2024","22","35","7121","7127","10.1039/d4ob01166j","","x-ray","0.71073","MoKα","","0.0801","0.0504","","","0.1071","0.1213","","","","","","1.007","","","","has coordinates","295339","2024-10-06","09:18:16",""
"7160096","5.8856","0.001","13.443","0.002","26.71","0.005","90","","90","","90","","2113.3","0.6","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 N2 O6 S -","- C22 H22 N2 O6 S -","- C88 H88 N8 O24 S4 -","4","1","","Gi, Minseok; Oh, Daehyun; Yang, Sehun; Lee, Jaeyong; Jung, So Hyun; Baek, Ju Ha; Ha, Min Woo; Lee, Geumwoo; Park, Hyeung-Geun","Enantioselective Michael addition of 3-hydroxy-2-pyridone to nitroolefins using cinchona-derived bifunctional organocatalysts.","Organic & biomolecular chemistry","2024","22","34","7017","7023","10.1039/d4ob01042f","","","0.71073","MoKα","","0.151","0.0572","","","0.1368","0.1797","","","","","","1.05","","","","has coordinates,has disorder","294643","2024-09-06","01:59:06",""
"7160097","19.9273","0.0008","8.4314","0.0003","33.0097","0.0013","90","","107.202","0.0005","90","","5298","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2,6-diiodo-4-methylphenyl)-3-methoxypropan-2-ol","","- C11 H14 I2 O2 -","- C11 H14 I2 O2 -","- C176 H224 I32 O32 -","16","4","","Al-Zoubi, Raed M; Al-Jammal, Walid K; Shkoor, Mohanad; Bani-Yaseen, Abdulilah D; Khan, Abbas; Agouni, Abdelali; McDonald, Robert","Efficient and regioselective synthesis of <i>ortho</i>-diiodinated homobenzylic alcohol derivatives: <i>in silico</i> evaluation as potential anticancer IDO/TDO inhibitors.","Organic & biomolecular chemistry","2024","22","36","7395","7410","10.1039/d4ob01076k","","","0.71073","MoKα","","0.0315","0.0246","","","0.0564","0.0592","","","","","","1.045","","","","has coordinates","295331","2024-10-06","09:16:55",""
"7160098","10.6792","0.0004","29.0562","0.0009","5.62368","0.00019","90","","92.355","0.002","90","","1743.54","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2,6-diiodo-4-methylphenyl)-3-(2-methoxyphenoxy)propan-2-ol","","- C17 H18 I2 O3 -","- C17 H18 I2 O3 -","- C68 H72 I8 O12 -","4","1","","Al-Zoubi, Raed M; Al-Jammal, Walid K; Shkoor, Mohanad; Bani-Yaseen, Abdulilah D; Khan, Abbas; Agouni, Abdelali; McDonald, Robert","Efficient and regioselective synthesis of <i>ortho</i>-diiodinated homobenzylic alcohol derivatives: <i>in silico</i> evaluation as potential anticancer IDO/TDO inhibitors.","Organic & biomolecular chemistry","2024","22","36","7395","7410","10.1039/d4ob01076k","","","1.54178","CuKα","","0.0363","0.031","","","0.0811","0.0834","","","","","","1.023","","","","has coordinates","295331","2024-10-06","09:16:56",""
"7160099","7.827","0.004","10.029","0.004","17.446","0.008","89.147","0.006","87.469","0.006","82.695","0.006","1357","1.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C64 H72 N8 O8 -","4","2","","Laha, Radha M.; Aich, Shobhon; Sarkar, Ankan Kumar; Dutta, Tanmoy; Ghosh, Narendra Nath; Khamarui, Saikat; Maiti, Dilip K.","New routes towards azomethine ylide generation from prolines to synthesize diverse N-heterocycles: a DFT supported endo-selective mechanism","Organic & Biomolecular Chemistry","2024","22","36","7411","7424","10.1039/D4OB01004C","","","0.71073","MoKα","","0.0744","0.0484","","","0.1106","0.124","","","","","","1.012","","","","has coordinates","295330","2024-10-06","09:16:43",""
"7160100","19.48","0.02","5.587","0.005","18.462","0.017","90","","101.83","0.03","90","","1967","3","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 F N2 O2 -","- C23 H23 F N2 O2 -","- C92 H92 F4 N8 O8 -","4","1","","Laha, Radha M.; Aich, Shobhon; Sarkar, Ankan Kumar; Dutta, Tanmoy; Ghosh, Narendra Nath; Khamarui, Saikat; Maiti, Dilip K.","New routes towards azomethine ylide generation from prolines to synthesize diverse N-heterocycles: a DFT supported endo-selective mechanism","Organic & Biomolecular Chemistry","2024","22","36","7411","7424","10.1039/D4OB01004C","","","0.71073","MoKα","","0.2871","0.1224","","","0.2449","0.325","","","","","","1.081","","","","has coordinates","295330","2024-10-06","09:16:43",""
"7160101","10.32","0.002","13.45","0.003","26.043","0.005","90","","90","","90","","3614.9","1.3","296.15","","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 F N O2 -","- C22 H20 F N O2 -","- C176 H160 F8 N8 O16 -","8","1","","Chouhan, Raju; Gogoi, Abhijit; Das, Sajal Kumar","Constructing spirooxindoles from non-oxindole precursors: a one-pot nitro-reduction/double lactamization approach to spiro[indoline-3,3'-quinoline]-2,2'-diones.","Organic & biomolecular chemistry","2024","22","37","7601","7606","10.1039/d4ob01178c","","x-ray","0.71073","MoKα","","0.1439","0.0666","","","0.1518","0.2011","","","","","","1.002","","","","has coordinates,has disorder","295326","2024-10-06","09:14:27",""
"7160102","10.0792","0.0009","7.919","0.0004","11.2172","0.001","90","","115.357","0.011","90","","809.07","0.13","290.83","0.1","290.83","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H19 N O2 S -","- C18 H19 N O2 S -","- C36 H38 N2 O4 S2 -","2","1","","Yang, Xiaodong; Yang, Feng; Zhang, Xiaoya","Iodine-mediated decarboxylative coupling to synthesize β-sulfonyl-ene-amines/2,3-diarythio-pyrroles from α-amino acids and sodium sulfinates.","Organic & biomolecular chemistry","2024","22","36","7321","7326","10.1039/d4ob01149j","","x-ray","0.71073","MoKα","","0.0679","0.0497","","","0.0933","0.1104","","","","","","1.085","","","","has coordinates","295334","2024-10-06","09:17:24",""
"7160103","14.641","0.003","10.835","0.002","12.117","0.002","90","","107.599","0.008","90","","1832.2","0.6","303","2","303","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N O4 S -","- C18 H21 N O4 S -","- C72 H84 N4 O16 S4 -","4","1","","Singh, Swati; Chakrabortty, Gopal; Tiwari, Kajal; Dagar, Neha; Raha Roy, Sudipta","Shining light for organophotocatalysed site-selective sulfonylation of anilides","Organic & Biomolecular Chemistry","2024","22","37","7690","7695","10.1039/D4OB01169D","","","0.71073","MoKα","","0.0607","0.0416","","","0.1083","0.1219","","","","","","1.018","","","","has coordinates","295325","2024-10-06","09:14:20",""
"7160104","4.0454","0.0003","10.5096","0.0008","19.0866","0.0016","90","","93.419","0.007","90","","810.03","0.11","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H2 Br2 N2 S -","- C6 H2 Br2 N2 S -","- C24 H8 Br8 N8 S4 -","4","1","","Ivanova, Yulia; Spittaels, Sander; Gao, Ling-Jie; Schols, Dominique; Van Meervelt, Luc; Froeyen, Mathy; Dehaen, Wim; De Jonghe, Steven","Synthesis and evaluation of isothiazolo[4,5-b]pyridines as cyclin G-associated kinase (GAK) inhibitors","Organic & Biomolecular Chemistry","2024","22","36","7373","7389","10.1039/D4OB00908H","","x-ray","0.71073","MoKα","","0.0499","0.0316","","","0.0582","0.0645","","","","","","1.082","","","","has coordinates","295332","2024-10-06","09:17:01",""
"7160105","15.8968","0.0006","11.2913","0.0004","16.5092","0.0006","90","","109.741","0.004","90","","2789.17","0.19","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51 H40 Cl4 N4 O4 S2 -","- C51 H40 Cl4 N4 O4 S2 -","- C102 H80 Cl8 N8 O8 S4 -","2","1","","Yu, Jing-Liang; Zhang, Qian-Mao; Cheng, Guo; Tang, Chun-Chun; Yang, Zhen-Yu; Li, Wen-Sheng; Wang, Li-Xin","A quinine-squaramide catalyzed enantioselective vinylogous Mannich reaction between benzothiazolimines and γ-butenolides for efficient preparation of chiral N-benzothiazole butyrolactones","Organic & Biomolecular Chemistry","2024","22","37","7612","7617","10.1039/D4OB01175A","","x-ray","1.54184","CuKα","","0.1093","0.089","","","0.2295","0.2561","","","","","","1.027","","","","has coordinates,has disorder","295324","2024-10-06","09:14:15",""
"7160106","13.1825","0.0004","8.4357","0.0002","19.1184","0.0006","90","","95.302","0.001","90","","2116.94","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 N O3 -","- C28 H25 N O3 -","- C112 H100 N4 O12 -","4","1","","Xian, Ning; Deng, Guo-Jun; Huang, Huawen","Formation of cyclopenta[c]quinolines through visible-light-induced photoredox cascade bis-annulations of 1,7-enynes with sulfoxonium ylides","Organic & Biomolecular Chemistry","2024","22","37","7618","7622","10.1039/D4OB01294A","","","1.34139","GaKα","","0.0438","0.0407","","","0.11","0.1124","","","","","","1.041","","","","has coordinates","295329","2024-10-06","09:15:38",""
"7160107","6.0544","0.0003","14.3219","0.0007","19.1147","0.0011","75.167","0.002","87.342","0.002","81.353","0.002","1583.95","0.14","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H36 B3 F2 N3 O4 -","- C33 H36 B3 F2 N3 O4 -","- C66 H72 B6 F4 N6 O8 -","2","1","","Alkaş, Adil; Kofsky, Joshua M.; Sullivan, Em C.; Nebel, Daisy; Robertson, Katherine N.; Capicciotti, Chantelle J.; Jakeman, David L.; Johnson, Erin R.; Thompson, Alison","BODIPYs α-appended with distyryl-linked aryl bisboronic acids: single-step cell staining and turn-on fluorescence binding with D-glucose.","Organic & biomolecular chemistry","2024","22","36","7448","7459","10.1039/d4ob01013b","","","0.71073","MoKα","","0.0804","0.0663","","","0.1323","0.1397","","","","","","1.195","","","","has coordinates,has disorder","295333","2024-10-06","09:17:17",""
"7160108","10.9103","0.0004","12.9379","0.0005","13.0853","0.0006","109.188","0.002","114.396","0.0014","95.4451","0.0015","1530.52","0.11","125","2","125","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H31 B Br2 Cl2 F2 N2 -","- C31.999 H30.998 B Br2 Cl1.998 F2 N2 -","- C63.998 H61.996 B2 Br4 Cl3.996 F4 N4 -","2","1","","Alkaş, Adil; Kofsky, Joshua M.; Sullivan, Em C.; Nebel, Daisy; Robertson, Katherine N.; Capicciotti, Chantelle J.; Jakeman, David L.; Johnson, Erin R.; Thompson, Alison","BODIPYs α-appended with distyryl-linked aryl bisboronic acids: single-step cell staining and turn-on fluorescence binding with D-glucose.","Organic & biomolecular chemistry","2024","22","36","7448","7459","10.1039/d4ob01013b","","","0.71073","MoKα","","0.0614","0.0356","","","0.073","0.0835","","","","","","1.033","","","","has coordinates,has disorder","295333","2024-10-06","09:17:17",""
"7160109","13.7645","0.0006","26.9797","0.0011","11.5721","0.0004","90","","93.3297","0.0015","90","","4290.2","0.3","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44.5 H55.25 B3 F2 N2.75 O4 -","- C44.5 H55.25 B3 F2 N2.75 O4 -","- C178 H221 B12 F8 N11 O16 -","4","1","","Alkaş, Adil; Kofsky, Joshua M.; Sullivan, Em C.; Nebel, Daisy; Robertson, Katherine N.; Capicciotti, Chantelle J.; Jakeman, David L.; Johnson, Erin R.; Thompson, Alison","BODIPYs α-appended with distyryl-linked aryl bisboronic acids: single-step cell staining and turn-on fluorescence binding with D-glucose.","Organic & biomolecular chemistry","2024","22","36","7448","7459","10.1039/d4ob01013b","","","0.71073","MoKα","","0.1137","0.0884","","","0.1956","0.2097","","","","","","1.106","","","","has coordinates,has disorder","295333","2024-10-06","09:17:17",""
"7160110","29.0246","0.0008","11.7719","0.0003","24.1756","0.0006","90","","90","","90","","8260.2","0.4","125","2","125","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C43 H53 B3 F2 N2 O4 -","- C43 H53 B3 F2 N2 O4 -","- C344 H424 B24 F16 N16 O32 -","8","2","","Alkaş, Adil; Kofsky, Joshua M.; Sullivan, Em C.; Nebel, Daisy; Robertson, Katherine N.; Capicciotti, Chantelle J.; Jakeman, David L.; Johnson, Erin R.; Thompson, Alison","BODIPYs α-appended with distyryl-linked aryl bisboronic acids: single-step cell staining and turn-on fluorescence binding with D-glucose.","Organic & biomolecular chemistry","2024","22","36","7448","7459","10.1039/d4ob01013b","","","0.71073","MoKα","","0.1087","0.0739","","","0.1585","0.1742","","","","","","1.097","","","","has coordinates,has disorder","295333","2024-10-06","09:17:17",""
"7160111","11.2401","0.0004","11.9427","0.0005","12.9055","0.0005","105.526","0.0014","94.7259","0.0013","104.81","0.0014","1592.44","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H38 B3 F2 N3 O5 -","- C33 H37.9998 B3 F2 N3 O5 -","- C66 H75.9996 B6 F4 N6 O10 -","2","1","","Alkaş, Adil; Kofsky, Joshua M.; Sullivan, Em C.; Nebel, Daisy; Robertson, Katherine N.; Capicciotti, Chantelle J.; Jakeman, David L.; Johnson, Erin R.; Thompson, Alison","BODIPYs α-appended with distyryl-linked aryl bisboronic acids: single-step cell staining and turn-on fluorescence binding with D-glucose.","Organic & biomolecular chemistry","2024","22","36","7448","7459","10.1039/d4ob01013b","","","0.71073","MoKα","","0.0811","0.0581","","","0.158","0.1905","","","","","","1.134","","","","has coordinates,has disorder","295333","2024-10-06","09:17:17",""
"7160112","11.43259","0.0001","24.93811","0.00018","8.39634","0.00006","90","","96.9186","0.0007","90","","2376.43","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H22 O2 -","- C36 H22 O2 -","- C144 H88 O8 -","4","1","","Mekeda, I. S.; Balakhonov, R. Yu; Shirinian, V. Z.","Switching the regioselectivity of acid-catalyzed reactions of arylnaphtho[2,1-<i>b</i>]furans <i>via</i> a [1,2]-aryl shift.","Organic & biomolecular chemistry","2024","22","37","7715","7724","10.1039/d4ob01223b","","x-ray","1.54184","CuKα","","0.038","0.0355","","","0.0908","0.0927","","","","","","1.069","","","","has coordinates","295323","2024-10-06","09:14:08",""
"7160113","20.4024","0.0011","8.0914","0.0004","16.349","0.0008","90","","90","","90","","2699","0.2","200","2","200","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C15 H12 Br0 Cl N O -","- C15 H12 Cl N O -","- C120 H96 Cl8 N8 O8 -","8","2","","Suresh, Sundaram; Palla, Sowndarya; Chung, Dai-Ru; Chien, Hung-Sheng; Du, Bo-Xun; Shinde, Jivan; Kavala, Veerababurao; Yao, Ching-Fa","Catalyst-free reactions of anilines with β-chloroenones: synthesis of α-chloroenaminones and 1,4-benzodiazepines.","Organic & biomolecular chemistry","2024","22","45","8857","8868","10.1039/d4ob00954a","","","0.71073","MoKα","","0.0635","0.0435","","","0.1049","0.114","","","","","","1.002","","","","has coordinates","296699","2024-12-06","20:39:45",""
"7160114","32.4571","0.0015","13.4666","0.0005","11.2783","0.0005","90","","110.33","","90","","4622.5","0.3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Br2 N2 O2 -","- C24 H18 Br2 N2 O2 -","- C192 H144 Br16 N16 O16 -","8","1","","Suresh, Sundaram; Palla, Sowndarya; Chung, Dai-Ru; Chien, Hung-Sheng; Du, Bo-Xun; Shinde, Jivan; Kavala, Veerababurao; Yao, Ching-Fa","Catalyst-free reactions of anilines with β-chloroenones: synthesis of α-chloroenaminones and 1,4-benzodiazepines.","Organic & biomolecular chemistry","2024","22","45","8857","8868","10.1039/d4ob00954a","","","0.71073","MoKα","","0.0431","0.0355","","","0.096","0.1038","","","","","","0.685","","","","has coordinates","296699","2024-12-06","20:39:45",""
"7160115","9.9614","0.0006","15.4727","0.0009","11.3672","0.0007","90","","109.434","0.002","90","","1652.2","0.17","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Cl N O -","- C18 H18 Cl N O -","- C72 H72 Cl4 N4 O4 -","4","1","","Suresh, Sundaram; Palla, Sowndarya; Chung, Dai-Ru; Chien, Hung-Sheng; Du, Bo-Xun; Shinde, Jivan; Kavala, Veerababurao; Yao, Ching-Fa","Catalyst-free reactions of anilines with β-chloroenones: synthesis of α-chloroenaminones and 1,4-benzodiazepines.","Organic & biomolecular chemistry","2024","22","45","8857","8868","10.1039/d4ob00954a","","","0.71073","MoKα","","0.0746","0.0576","","","0.1394","0.1516","","","","","","1.149","","","","has coordinates","296699","2024-12-06","20:39:45",""
"7160116","19.563","0.003","17.74","0.003","21.9","0.004","90","","97.679","0.003","90","","7532","2","105","","105","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C88 H40 Cl3 F15 N6 -","- C88 H40 Cl3 F15 N6 -","- C352 H160 Cl12 F60 N24 -","4","1","","Yadav, Bharti; Ravikanth, Mangalampalli","Synthesis of anthracene-bridged expanded rosarin.","Organic & biomolecular chemistry","2024","22","37","7607","7611","10.1039/d4ob01283f","","","0.71073","MoKα","","0.2322","0.096","","","0.2198","0.3151","","","","","","1.0958","","","","has coordinates","295327","2024-10-06","09:15:12",""
"7160117","5.5035","0.0007","14.3112","0.0018","10.2822","0.0014","90","","95.415","0.002","90","","806.23","0.18","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C10 H5 F9 O2 Se3 -","- C10 H5 F9 O2 Se3 -","- C20 H10 F18 O4 Se6 -","2","0.5","","Gao, Guiya; Xie, Keyi; Shi, Minghui; Gao, Tao; Wang, Zedong; Zhang, Congcong; Wang, Zhentao","Direct trifluoromethylselenolations of electron-rich (hetero)aromatic rings with <i>N</i>-trifluoromethylselenolating saccharin.","Organic & biomolecular chemistry","2024","22","37","7707","7714","10.1039/d4ob01134a","","","0.71073","MoKα","","0.0623","0.0429","","","0.1179","0.1268","","","","","","0.989","","","","has coordinates,has disorder","295328","2024-10-06","09:15:21",""
"7160118","13.12","0.003","15.873","0.004","7.9225","0.0017","90","","113.703","0.003","90","","1510.7","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H7 F6 N Se2 -","- C14 H7 F6 N Se2 -","- C56 H28 F24 N4 Se8 -","4","0.5","","Gao, Guiya; Xie, Keyi; Shi, Minghui; Gao, Tao; Wang, Zedong; Zhang, Congcong; Wang, Zhentao","Direct trifluoromethylselenolations of electron-rich (hetero)aromatic rings with <i>N</i>-trifluoromethylselenolating saccharin.","Organic & biomolecular chemistry","2024","22","37","7707","7714","10.1039/d4ob01134a","","","0.71073","MoKα","","0.0326","0.0258","","","0.0699","0.0727","","","","","","1.054","","","","has coordinates","295328","2024-10-06","09:15:22",""
"7160119","11.7699","0.0017","13.869","0.002","16.099","0.002","90","","90","","90","","2627.9","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 Cl2 F3 O8 Se -","- C24 H23 Cl2 F3 O8 Se -","- C96 H92 Cl8 F12 O32 Se4 -","4","1","","Gao, Guiya; Xie, Keyi; Shi, Minghui; Gao, Tao; Wang, Zedong; Zhang, Congcong; Wang, Zhentao","Direct trifluoromethylselenolations of electron-rich (hetero)aromatic rings with <i>N</i>-trifluoromethylselenolating saccharin.","Organic & biomolecular chemistry","2024","22","37","7707","7714","10.1039/d4ob01134a","","","0.71073","MoKα","","0.0613","0.0405","","","0.0921","0.0998","","","","","","0.905","","","","has coordinates","295328","2024-10-06","09:15:22",""
"7160120","24.132","0.011","11.467","0.004","16.411","0.007","90","","125.672","0.012","90","","3689","3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cl2 F3 N O2 Se -","- C16 H12 Cl2 F3 N O2 Se -","- C128 H96 Cl16 F24 N8 O16 Se8 -","8","1","","Gao, Guiya; Xie, Keyi; Shi, Minghui; Gao, Tao; Wang, Zedong; Zhang, Congcong; Wang, Zhentao","Direct trifluoromethylselenolations of electron-rich (hetero)aromatic rings with <i>N</i>-trifluoromethylselenolating saccharin.","Organic & biomolecular chemistry","2024","22","37","7707","7714","10.1039/d4ob01134a","","","0.71073","MoKα","","0.0978","0.0581","","","0.1463","0.1623","","","","","","0.957","","","","has coordinates","295328","2024-10-06","09:15:22",""
"7160121","24.3982","0.0008","26.129","0.0007","27.8953","0.0005","72.391","0.002","67.651","0.003","78.986","0.003","15618.4","0.8","190","1","190","1","","","","","","","","6","P -1","-P 1","2","","Zn-Nd nanoring","","- C228 H246 N12 Nd3 O51 Zn6 -","- C228 H246 N12 Nd3 O51 Zn6 -","- C456 H492 N24 Nd6 O102 Zn12 -","2","1","","Chandrasekar, Lavanya; Hsieh, Yun-Zhen; Chou, Hao-Tse; Huang, Yu-Chen; Liu, Wei-Min","Synthesis of alkynyl cyclopropa[<i>c</i>]coumarins <i>via</i> propargyl sulfonium salts as C1 synthons.","Organic & biomolecular chemistry","2024","22","47","9219","9230","10.1039/d4ob01089b","","","0.71073","MoKα","","0.1531","0.0788","","","0.1929","0.2077","","","","","","1.007","","","","has coordinates","296693","2024-12-06","20:38:27",""
"7160122","7.1577","0.0003","19.5983","0.0008","21.4037","0.001","90","","90","","90","","3002.5","0.2","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(1S,1aR,7bR)-1a-(4-chlorobenzoyl)-1-ethynyl-1a,7b-dihydrocyclopropa[c]chromen-2(1H)-one","","- C19 H11 Cl O3 -","- C19 H11 Cl O3 -","- C152 H88 Cl8 O24 -","8","1","","Chandrasekar, Lavanya; Hsieh, Yun-Zhen; Chou, Hao-Tse; Huang, Yu-Chen; Liu, Wei-Min","Synthesis of alkynyl cyclopropa[<i>c</i>]coumarins <i>via</i> propargyl sulfonium salts as C1 synthons.","Organic & biomolecular chemistry","2024","22","47","9219","9230","10.1039/d4ob01089b","","","1.54178","CuKα","","0.0575","0.0535","","","0.1451","0.1492","","","","","","1.047","","","","has coordinates","296693","2024-12-06","20:38:28",""
"7160123","14.4437","0.0005","5.5419","0.0002","20.4328","0.0006","90","","95.219","0.003","90","","1628.77","0.09","93.15","","93.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","1","","Hikawa, Hidemasa; Fukuda, Akane; Kondo, Kazuma; Nakayama, Taku; Enda, Tomokatsu; Kikkawa, Shoko; Azumaya, Isao","Au(III)/TPPMS-catalyzed Friedel-Crafts benzylation of deactivated <i>N</i>-alkylanilines in water.","Organic & biomolecular chemistry","2024","22","38","7874","7879","10.1039/d4ob01234h","","x-ray","0.71073","MoKα","","0.07","0.0471","","","0.1041","0.1124","","","","","","1.028","","","","has coordinates","295345","2024-10-06","09:19:24",""
"7160124","7.8789","0.0009","14.2204","0.0013","10.1298","0.0019","90","","110.174","0.007","90","","1065.3","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 N O6 -","- C24 H25 N O6 -","- C48 H50 N2 O12 -","2","1","","Manna, Sabyasachi; Sreedhara, Rahul Halanuru; Prabhu, Kandikere Ramaiah","Visible light-mediated radical addition cascade cyclization of aryl isocyanides with tricarbonyls: rapid access to substituted phenanthridines and isoquinolines.","Organic & biomolecular chemistry","2024","22","38","7786","7790","10.1039/d4ob01405g","","","0.71076","MoKα","","0.0346","0.0336","","","0.0917","0.0925","","","","","","1.086","","","","has coordinates","295343","2024-10-06","09:18:55",""
"7160125","12.1373","0.0011","21.089","0.003","20.202","0.002","90","","90","","90","","5171","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H56 Cl7 Cu4 N8 -","- C44 H56 Cl7 Cu4 N8 -","- C176 H224 Cl28 Cu16 N32 -","4","1","","Ghosh, Kingkar; Ghosh, Narendra Nath; Choudhury, Prasun; Bhattacharjee, Subham; Saha, Rajat; Deb, Mayukh; Biswas, Kinkar","A benzimidazole-based Cu(ii) complex catalyzed site-selective C–H sulfenylation of imidazo-[1,2-a]pyridines using CS2 as a sulfur source","Organic & Biomolecular Chemistry","2024","22","38","7791","7800","10.1039/D4OB00868E","","","1.54016","CuKα","","0.1052","0.0851","","","0.225","0.2453","","","","","","1.209","","","","has coordinates","295342","2024-10-06","09:18:41",""
"7160126","7.7958","0.0009","11.076","0.0019","11.1247","0.0014","101.374","0.007","107.36","0.006","90.842","0.008","896","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 Cl N2 S -","- C21 H17 Cl N2 S -","- C42 H34 Cl2 N4 S2 -","2","1","","Ghosh, Kingkar; Ghosh, Narendra Nath; Choudhury, Prasun; Bhattacharjee, Subham; Saha, Rajat; Deb, Mayukh; Biswas, Kinkar","A benzimidazole-based Cu(ii) complex catalyzed site-selective C–H sulfenylation of imidazo-[1,2-a]pyridines using CS2 as a sulfur source","Organic & Biomolecular Chemistry","2024","22","38","7791","7800","10.1039/D4OB00868E","","","0.71073","MoKα","","0.0795","0.0469","","","0.1489","0.1963","","","","","","0.746","","","","has coordinates","295342","2024-10-06","09:18:41",""
"7160127","15.616","0.0007","22.8099","0.001","24.2217","0.001","65.842","0.002","74.382","0.002","77.047","0.002","7517.4","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C166 H183 F12 N9 O16 P2 -","- C166 H183 F12 N9 O16 P2 -","- C332 H366 F24 N18 O32 P4 -","2","1","","Zheng, Li-Shuo; Nian, Hao; Wang, Song-Meng; Wang, Yan-Fang; Jiang, Wei; Wang, Li-Li; Yang, Liu-Pan","Acid/base responsive pseudo[3]rotaxanes from amine naphthotubes and bis-pyridinium/isoquinolinium guests.","Organic & biomolecular chemistry","2024","22","39","7996","8001","10.1039/d4ob01268b","","","1.34139","GaKα","","0.107","0.0918","","","0.2653","0.2831","","","","","","1.077","","","","has coordinates,has disorder","296681","2024-12-06","20:36:27",""
"7160128","8.6191","0.0004","8.8839","0.0004","9.3999","0.0003","81.898","0.003","73.226","0.003","73.495","0.004","659.38","0.05","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 N O3 -","- C15 H14 N O3 -","- C30 H28 N2 O6 -","2","1","","Arunkumar, Vemula; Balamurugan, Rengarajan","Brønsted acid-promoted synthesis of highly functionalized tetrahydrocarbazoles from diethyl (<i>E</i>)-5-diazo-4-oxohex-2-enedioate.","Organic & biomolecular chemistry","2024","22","47","9214","9218","10.1039/d4ob00992d","","x-ray","0.71073","MoKα","","0.1099","0.0664","","","0.1824","0.2301","","","","","","1.047","","","","has coordinates,has disorder","296687","2024-12-06","20:37:27",""
"7160129","7.8862","0.0005","12.866","0.0012","12.9041","0.0013","109.715","0.009","97.202","0.007","106.377","0.007","1146.8","0.2","295.83","","295.83","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H26 N2 O4 -","- C28 H26 N2 O4 -","- C56 H52 N4 O8 -","2","1","","Arunkumar, Vemula; Balamurugan, Rengarajan","Brønsted acid-promoted synthesis of highly functionalized tetrahydrocarbazoles from diethyl (<i>E</i>)-5-diazo-4-oxohex-2-enedioate.","Organic & biomolecular chemistry","2024","22","47","9214","9218","10.1039/d4ob00992d","","x-ray","0.71073","MoKα","","0.3194","0.1744","","","0.397","0.5818","","","","","","1.198","","","","has coordinates","296687","2024-12-06","20:37:28",""
"7160130","8.4646","0.0007","21.096","0.002","10.1483","0.001","90","","105.96","0.004","90","","1742.3","0.3","288","2","288","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O5 -","- C19 H21 N O5 -","- C76 H84 N4 O20 -","4","1","","Arunkumar, Vemula; Balamurugan, Rengarajan","Brønsted acid-promoted synthesis of highly functionalized tetrahydrocarbazoles from diethyl (<i>E</i>)-5-diazo-4-oxohex-2-enedioate.","Organic & biomolecular chemistry","2024","22","47","9214","9218","10.1039/d4ob00992d","","","0.71073","MoKα","","0.089","0.0676","","","0.1814","0.1976","","","","","","1.0575","","","","has coordinates","296687","2024-12-06","20:37:28",""
"7160131","9.9951","0.001","17.872","0.002","8.3591","0.0009","90","","122.348","0.005","90","","1261.5","0.2","298","","298","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H12 Br N O2 -","- C14 H12 Br N O2 -","- C56 H48 Br4 N4 O8 -","4","1","","Gao, Zhiwei; Hou, Zhiguo; Gao, Hongyin","Regioselective synthesis of 2-aminophenols from <i>N</i>-arylhydroxylamines.","Organic & biomolecular chemistry","2024","22","38","7801","7805","10.1039/d4ob01281j","","","1.54178","CuKα","","0.0661","0.0656","","","0.1406","0.1415","","","","","","1.175","","","","has coordinates","295341","2024-10-06","09:18:34",""
"7160132","8.944","0.003","19.542","0.007","12.592","0.004","90","","100.017","0.007","90","","2167.3","1.3","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C100 H80 Cl4 N8 O8 -","- C100 H84 Cl4 N8 O8 -","- C100 H84 Cl4 N8 O8 -","1","0.5","","Hu, Jiang; Liu, Jidan; Cui, Wenwen; Zheng, Liyao; Wang, Renjie; Liu, Zhao-Qing; Pu, Shouzhi","Rh(III)-catalyzed [4 + 1] annulation of 1-arylindazolones with alkynyl cyclobutanols: access to indazolo[1,2-<i>a</i>]indazolones.","Organic & biomolecular chemistry","2024","22","32","6500","6505","10.1039/d4ob01067a","","","0.71073","MoKα","","0.2093","0.15","","","0.359","0.3784","","","","","","1.959","","","","has coordinates","294393","2024-09-05","08:37:51",""
"7160133","8.2639","0.0003","23.4915","0.0006","13.1699","0.0004","90","","105.953","0.003","90","","2458.23","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N2 O6 -","- C26 H28 N2 O6 -","- C104 H112 N8 O24 -","4","1","","Shen, Li-Wen; Luo, Nian; Jia, Yun-Qing; Wang, Guang-Wei; Yuan, Shu-Pei; Xiang, Min","Lewis base promoted [4 + 2] annulation of <i>o</i>-acylamino-aryl MBH carbonates with isatin.","Organic & biomolecular chemistry","2024","22","39","7961","7964","10.1039/d4ob01240b","","x-ray","1.54184","CuKα","","0.0716","0.0585","","","0.155","0.1695","","","","","","1.055","","","","has coordinates,has disorder","296683","2024-12-06","20:36:44",""
"7160134","9.2049","0.0002","12.7933","0.0002","13.0136","0.0002","97.634","0.001","105.415","0.002","100.459","0.002","1426.06","0.05","297","0.2","297","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 N3 O2 -","- C17 H13 N3 O2 -","- C68 H52 N12 O8 -","4","2","","Cui, Xueli; Chen, Chunming; Xie, Mei; Zhao, Taotao; Yi, Jianfeng; Sun, Weiqiang; Xiong, Zhuang; Hu, Jinhui; Wong, Wing-Leung; Wu, Jia-Qiang","One-pot sequential synthesis of unsymmetrical diarylmethanes using methylene chloride as a C1-synthon.","Organic & biomolecular chemistry","2024","22","39","7965","7970","10.1039/d4ob01158a","","x-ray","1.54184","CuKα","","0.0706","0.0623","","","0.1773","0.1847","","","","","","1.108","","","","has coordinates","296684","2024-12-06","20:36:50",""
"7160135","11.5953","0.0002","11.3","0.0002","24.7099","0.0004","90","","90","","90","","3237.66","0.1","200","1","200","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H20 N2 O2 S -","- C16 H20 N2 O2 S -","- C128 H160 N16 O16 S8 -","8","1","","Barranco, Stefano; Pagnanini, Alessio; Cuccu, Federico; Caboni, Pierluigi; Guillot, Régis; Aitken, David J.; Frongia, Angelo","Substrate-dependent regiodivergence in [3 + 2] annulation reactions of 2-(phenacylethylidene)cyclobutanones with thioureas.","Organic & biomolecular chemistry","2024","22","39","8048","8053","10.1039/d4ob01103a","","","1.54178","CuKα","","0.0377","0.0324","","","0.0835","0.0859","","","","","","1.04","","","","has coordinates","296682","2024-12-06","20:36:38",""
"7160136","11.028","0.0014","18.344","0.002","11.1908","0.0013","90","","108.215","0.004","90","","2150.4","0.4","200","1","200","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cl3 N2 O2 S -","- C20 H19 Cl3 N2 O2 S -","- C80 H76 Cl12 N8 O8 S4 -","4","1","","Barranco, Stefano; Pagnanini, Alessio; Cuccu, Federico; Caboni, Pierluigi; Guillot, Régis; Aitken, David J.; Frongia, Angelo","Substrate-dependent regiodivergence in [3 + 2] annulation reactions of 2-(phenacylethylidene)cyclobutanones with thioureas.","Organic & biomolecular chemistry","2024","22","39","8048","8053","10.1039/d4ob01103a","","","0.71073","MoKα","","0.1044","0.0562","","","0.1331","0.1618","","","","","","1.031","","","","has coordinates,has disorder","296682","2024-12-06","20:36:38",""
"7160137","14.3538","0.0002","29.2862","0.0004","7.7791","0.0001","90","","94.168","0.001","90","","3261.44","0.08","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O2 S -","- C19 H18 N2 O2 S -","- C152 H144 N16 O16 S8 -","8","2","","Barranco, Stefano; Pagnanini, Alessio; Cuccu, Federico; Caboni, Pierluigi; Guillot, Régis; Aitken, David J.; Frongia, Angelo","Substrate-dependent regiodivergence in [3 + 2] annulation reactions of 2-(phenacylethylidene)cyclobutanones with thioureas.","Organic & biomolecular chemistry","2024","22","39","8048","8053","10.1039/d4ob01103a","","x-ray","1.54178","CuKα","","0.0863","0.0766","","","0.1637","0.1649","","","","","","1.283","","","","has coordinates,has disorder","296682","2024-12-06","20:36:38",""
"7160138","11.754","0.003","11.915","0.003","15.389","0.004","99.849","0.008","101.129","0.008","117.442","0.008","1791.1","0.8","200","1","200","1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N2 O2 S -","- C20 H20 N2 O2 S -","- C80 H80 N8 O8 S4 -","4","2","","Barranco, Stefano; Pagnanini, Alessio; Cuccu, Federico; Caboni, Pierluigi; Guillot, Régis; Aitken, David J.; Frongia, Angelo","Substrate-dependent regiodivergence in [3 + 2] annulation reactions of 2-(phenacylethylidene)cyclobutanones with thioureas.","Organic & biomolecular chemistry","2024","22","39","8048","8053","10.1039/d4ob01103a","","","0.71073","MoKα","","0.0909","0.0495","","","0.1206","0.1402","","","","","","1.028","","","","has coordinates","296682","2024-12-06","20:36:38",""
"7160139","6.5034","0.0004","18.5739","0.0013","18.554","0.001","90","","90","","90","","2241.2","0.2","293","2","293","2","","","","","","","Synthesis as described","5","P 21 21 21","P 2ac 2ab","19","oxo-aplisinopsyn","(S,E)-5-((1H-indol-3-yl)methylene)-3-(4-chlorophenyl)-1-(1-phenylethyl)imidazoli","","- C26 H20 Cl N3 O2 -","- C26 H20 Cl N3 O2 -","- C104 H80 Cl4 N12 O8 -","4","1","","Barrera, Edson; Jerezano, Alberto V.; Reyes-González, Ulises F; Martínez-López, Daniela; Escalante, Carlos H.; López, Julio; Martínez-Mora, Eder I; Gómez-García, Omar; Andrade-Pavón, Dulce; Villa-Tanaca, Lourdes; Delgado, Francisco; Tamariz, Joaquín","(Dimethylamino)methylene hydantoins as building blocks in the synthesis of oxoaplysinopsins and parabanic acids with antifungal activity.","Organic & biomolecular chemistry","2024","22","40","8144","8151","10.1039/d4ob01242a","","x-ray","0.71073","MoKα","","0.1943","0.0945","","","0.1187","0.1471","","","","","","1.128","","","","has coordinates","296698","2024-12-06","20:39:09",""
"7160140","19.9676","0.0006","7.9854","0.0002","16.986","0.0006","90","","90","","90","","2708.41","0.14","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C26 H37 N3 O2 S Si -","- C26 H37 N3 O2 S Si -","- C104 H148 N12 O8 S4 Si4 -","4","1","","Lu, Fei; Li, Zengzeng; Wang, Yulu; Liu, Guoliang; Niu, Guangguo; Wang, Guanghui; Zhao, Ximei","Facile access to α-silylmethylamidines by BF<sub>3</sub>-catalyzed hydroamination of silylynamides with amines.","Organic & biomolecular chemistry","2024","22","40","8097","8101","10.1039/d4ob01314j","","","1.54184","CuKα","","0.0663","0.0477","","","0.1196","0.1408","","","","","","1.066","","","","has coordinates","296697","2024-12-06","20:39:03",""
"7160141","8.2477","0.0002","10.7805","0.0003","15.3993","0.0004","80.6827","0.0013","78.5517","0.0012","76.5102","0.0012","1295.32","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H24 Br N O2 S -","- C31 H24 Br N O2 S -","- C62 H48 Br2 N2 O4 S2 -","2","1","","Pandidurai, Solai; Sekar, Govindasamy","Enantioselective organocatalyzed one-pot synthesis of <i>N</i>-phenyl thioether-tethered tetrasubstituted dihydropyrrole-3-carbaldehydes.","Organic & biomolecular chemistry","2024","22","40","8119","8124","10.1039/d4ob01411a","","","0.71073","MoKα","","0.0412","0.0291","","","0.0671","0.071","","","","","","1.048","","","","has coordinates","296696","2024-12-06","20:38:56",""
"7160142","8.8836","0.0016","11.1569","0.0018","27.77","0.004","90","","90","","90","","2752.4","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H27 N O2 S -","- C35 H27 N O2 S -","- C140 H108 N4 O8 S4 -","4","1","","Pandidurai, Solai; Sekar, Govindasamy","Enantioselective organocatalyzed one-pot synthesis of <i>N</i>-phenyl thioether-tethered tetrasubstituted dihydropyrrole-3-carbaldehydes.","Organic & biomolecular chemistry","2024","22","40","8119","8124","10.1039/d4ob01411a","","","0.71073","MoKα","","0.0481","0.039","","","0.0946","0.0997","","","","","","1.052","","","","has coordinates","296696","2024-12-06","20:38:57",""
"7160143","11.9857","0.0009","13.2787","0.0008","13.8288","0.001","100.139","0.005","90.991","0.006","94.836","0.005","2157.7","0.3","150","0.1","150.15","","","","","","","","","5","P -1","-P 1","2","Calixcorrole","Pyrrolizinofluorene-Embedded Dithiacalixcorrole","","- C57 H40 N2 O2 S3 -","- C57 H40 N2 O2 S3 -","- C114 H80 N4 O4 S6 -","2","1","","Varak, Pooja; Ravikanth, Mangalampalli","Pyrrolizinofluorene-embedded dithiacalixcorrole(1.0.<i>1</i>.<i>1</i>)s.","Organic & biomolecular chemistry","2024","22","40","8125","8132","10.1039/d4ob01276c","","","0.71073","MoKα","","0.1239","0.0816","","","0.2117","0.2464","","","","","","1.032","","","","has coordinates","296695","2024-12-06","20:38:49",""
"7160144","40.4573","0.0014","6.1031","0.0002","17.4802","0.0006","90","","107.899","0.001","90","","4107.2","0.2","213","2","213","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H21 N O2 S2 -","- C23 H21 N O2 S2 -","- C184 H168 N8 O16 S16 -","8","1","","Song, Lei; Li, Fu-Qiang; Qiu, Xiao-Han; Wei, Guo-Zhen; Chen, Hui-Yu; Bian, Ming; Gao, Yu-Ning; Liu, Zhen-Jiang","Copper-catalyzed tandem cyclization reaction of ethynylbenzoxazinones and thiols: facile construction of 2-thiomethylene indoles.","Organic & biomolecular chemistry","2024","22","41","8268","8272","10.1039/d4ob01164c","","","0.71073","MoKα","","0.1023","0.0966","","","0.2288","0.232","","","","","","1.142","","","","has coordinates,has disorder","296668","2024-12-06","20:34:30",""
"7160145","5.6237","0.0003","7.7655","0.0005","16.0712","0.001","83.991","0.003","84.029","0.003","82.486","0.003","689.08","0.07","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Cl N O -","- C16 H16 Cl N O -","- C32 H32 Cl2 N2 O2 -","2","1","","Jayakumar, Jyothylakshmi; Rajasekhara Reddy, Sabbasani","Molecular oxygen-promoted sustainable synthesis of functionalized quinolines using catalytic glucose-derived ionic liquids and copper.","Organic & biomolecular chemistry","2024","22","42","8472","8479","10.1039/d4ob01354a","","","0.71073","MoKα","","0.1069","0.0594","","","0.1545","0.1884","","","","","","1.033","","","","has coordinates","296676","2024-12-06","20:35:44",""
"7160146","6.2237","0.0002","8.6358","0.0003","10.4449","0.0004","90.67","0.003","96.664","0.003","95.213","0.003","555.14","0.03","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C6 H6.67 F2 N2 O2.67 -","- C6 H6.66667 F2 N2 O2.66667 -","- C18 H20 F6 N6 O8 -","3","1.5","","Paramonova, Polina; Lebedev, Rodion; Sokolov, Alexander; Dar'in, Dmitry; Kanov, Evgeny; Murtazina, Ramilya; Gainetdinov, Raul; Kalinin, Stanislav; Bakulina, Olga","Azide-based <i>in situ</i> preparation of fused heterocyclic imines and their multicomponent reactions.","Organic & biomolecular chemistry","2024","22","41","8328","8336","10.1039/d4ob01321b","","x-ray","1.54184","CuKα","","0.0332","0.0321","","","0.0827","0.0836","","","","","","1.042","","","","has coordinates","296667","2024-12-06","20:34:23",""
"7160147","6.2632","0.0006","24.832","0.003","11.5592","0.0012","90","","97.293","0.004","90","","1783.2","0.3","115","","115","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","KVL-112","","- C20 H30 -","- C20 H30 -","- C80 H120 -","4","1","","Varalaxmi, Kasarla; Pradhan, Kangkan; Begam, Hasina Mamataj; Polley, Arghya; Kumar, Deepak; Jana, Ranjan","Transition-metal-free iterative two-fold reductive coupling and 1,3-borotropic shift to form 1,4-skipped dienes.","Organic & biomolecular chemistry","2024","22","43","8596","8601","10.1039/d4ob01389a","","","1.54178","CuKα","","0.0819","0.0757","","","0.2079","0.2146","","","","","","1.0375","","","","has coordinates","296673","2024-12-06","20:35:18",""
"7160148","12.1596","0.0008","12.2452","0.0008","27.3069","0.0018","90","","95.673","0.001","90","","4046","0.5","293.15","0.1","293.15","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C46 H46 F2 O6 -","- C46 H46 F2 O6 -","- C184 H184 F8 O24 -","4","2","","Lei, Yu; Wen, Yinshan; Xu, Xiaoliang; Hu, Qiong; Chang, Meng; Qiang, Ruihua; Hu, Yimin","Design strategy and preliminary antiproliferative investigation of a modified lignan skeleton derived from aryne and statin.","Organic & biomolecular chemistry","2024","22","41","8263","8267","10.1039/d4ob01264j","","x-ray","0.71073","MoKα","","0.1106","0.0612","","","0.1582","0.1907","","","","","","1.028","","","","has coordinates,has disorder","296664","2024-12-06","20:33:56",""
"7160149","18.834","0.003","7.9364","0.0013","17.557","0.003","90","","103.605","0.006","90","","2550.7","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3.85 H2.67 I0.3 O0.3 S0.3 -","- C3.85185 H2.66667 I0.296296 O0.296296 S0.296296 -","- C104 H72 I8 O8 S8 -","27","6.75","","Bera, Biman; Goswami, Upasi; Sk, Sujan; Bera, Mrinal K.","Carbonyldiimidazole (CDI) promoted direct and instantaneous thio-esterification of a carboxylic acid and thiol at ambient temperature.","Organic & biomolecular chemistry","2024","22","43","8570","8574","10.1039/d4ob01376j","","","0.71073","MoKα","","0.0723","0.0494","","","0.1512","0.1699","","","","","","1.16","","","","has coordinates","296671","2024-12-06","20:34:58",""
"7160150","27.7832","0.0006","27.7832","0.0006","15.2098","0.0004","90","","90","","120","","10167.6","0.4","107","10","107","10","","","","","","","","6","R -3 :H","-R 3","148","","","","- C46 H26 Cl2 F12 N4 Pd2 -","- C46 H26 Cl2 F12 N4 Pd2 -","- C414 H234 Cl18 F108 N36 Pd18 -","9","0.5","","Samser, Shaikh; Biswal, Priyabrata; Mamidala, Ramesh; Meher, Sushanta Kumar; Venkatasubbaiah, Krishnan","Pyrazole based palladacycles for the synthesis of β-aminoketones by redox coupling of allyl alcohols and anilines.","Organic & biomolecular chemistry","2024","22","42","8488","8492","10.1039/d4ob01232a","","x-ray","1.54184","CuKα","","0.1038","0.1006","","","0.2893","0.2945","","","","","","1.338","","","","has coordinates","296675","2024-12-06","20:35:38",""
"7160151","14.2159","0.0005","19.678","0.0004","15.4208","0.0005","90","","115.902","0.004","90","","3880.5","0.2","112.2","0.4","112.2","0.4","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C90 H60 F12 N4 O10 P2 Pd2 -","- C90 H60 F12 N4 O10 P2 Pd2 -","- C180 H120 F24 N8 O20 P4 Pd4 -","2","1","","Samser, Shaikh; Biswal, Priyabrata; Mamidala, Ramesh; Meher, Sushanta Kumar; Venkatasubbaiah, Krishnan","Pyrazole based palladacycles for the synthesis of β-aminoketones by redox coupling of allyl alcohols and anilines.","Organic & biomolecular chemistry","2024","22","42","8488","8492","10.1039/d4ob01232a","","x-ray","1.54184","CuKα","","0.1108","0.0922","","","0.225","0.2359","","","","","","1.025","","","","has coordinates","296675","2024-12-06","20:35:38",""
"7160152","9.819","0.0002","13.9258","0.0002","10.695","0.0002","90","","97.12","0.002","90","","1451.13","0.05","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Bhawani, ?; Sonam, ?; Shinde, Vikki N.; Swami, Prakash N.; Rangan, Krishnan; Kumar, Anil","Propargyl alcohol as an acrolein equivalent: synthesis of β-(3-indolyl)acroleins and β-(imidazo[1,2-<i>a</i>]pyridin-3-yl)acroleins.","Organic & biomolecular chemistry","2024","22","44","8720","8723","10.1039/d4ob01168f","","x-ray","1.54184","CuKα","","0.046","0.0401","","","0.1035","0.107","","","","","","1.051","","","","has coordinates","296658","2024-12-06","20:32:47",""
"7160153","10.0711","0.0004","11.4925","0.0005","11.9654","0.0005","61.66","0.004","81.255","0.003","84.932","0.003","1204.54","0.1","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 N2 O S -","- C14 H10 N2 O S -","- C56 H40 N8 O4 S4 -","4","2","","Bhawani, ?; Sonam, ?; Shinde, Vikki N.; Swami, Prakash N.; Rangan, Krishnan; Kumar, Anil","Propargyl alcohol as an acrolein equivalent: synthesis of β-(3-indolyl)acroleins and β-(imidazo[1,2-<i>a</i>]pyridin-3-yl)acroleins.","Organic & biomolecular chemistry","2024","22","44","8720","8723","10.1039/d4ob01168f","","x-ray","1.54184","CuKα","","0.0707","0.0665","","","0.2031","0.2086","","","","","","1.096","","","","has coordinates","296658","2024-12-06","20:32:48",""
"7160154","10.166","0.0003","11.6979","0.0005","12.1456","0.0005","63.066","0.004","84.657","0.003","84.039","0.003","1279","0.1","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C64 H48 N8 O4 -","4","2","","Bhawani, ?; Sonam, ?; Shinde, Vikki N.; Swami, Prakash N.; Rangan, Krishnan; Kumar, Anil","Propargyl alcohol as an acrolein equivalent: synthesis of β-(3-indolyl)acroleins and β-(imidazo[1,2-<i>a</i>]pyridin-3-yl)acroleins.","Organic & biomolecular chemistry","2024","22","44","8720","8723","10.1039/d4ob01168f","","x-ray","1.54184","CuKα","","0.0514","0.0415","","","0.1111","0.118","","","","","","1.068","","","","has coordinates","296658","2024-12-06","20:32:49",""
"7160155","8.0757","0.0012","10.1099","0.0015","12.7198","0.0016","98.635","0.005","100.21","0.004","99.599","0.005","990.3","0.2","270","2","270","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 N O2 S -","- C24 H21 N O2 S -","- C48 H42 N2 O4 S2 -","2","1","","Zhu, Bo; Chen, Zhi-Chao; Du, Wei; Chen, Ying-Chun","Facile construction of benzofulvene frameworks <i>via</i> a palladium-catalysed three-component reaction.","Organic & biomolecular chemistry","2024","22","42","8397","8400","10.1039/d4ob01414f","","","0.71073","MoKα","","0.0698","0.0535","","","0.1472","0.1585","","","","","","1.039","","","","has coordinates","296678","2024-12-06","20:35:56",""
"7160156","11.3077","0.0001","7.308","0.0001","10.179","0.0002","90","","90","","90","","841.16","0.02","104.6","0.3","104.6","0.3","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C11 H12 O2 -","- C11 H12 O2 -","- C44 H48 O8 -","4","1","","Bonner, Arlene; Baumann, Marcus","Continuous flow synthesis of the antiviral drug tecovirimat and related sp<sup>3</sup>-rich scaffolds.","Organic & biomolecular chemistry","2024","22","41","8323","8327","10.1039/d4ob01379d","","x-ray","1.54184","CuKα","","0.0249","0.0241","","","0.0646","0.0655","","","","","","1.062","","","","has coordinates","296666","2024-12-06","20:34:16",""
"7160157","6.2827","0.0001","6.3367","0.0001","23.1722","0.0003","90","","94.567","0.001","90","","919.59","0.02","104.7","0.14","104.7","0.14","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C44 H48 O12 -","4","1","","Bonner, Arlene; Baumann, Marcus","Continuous flow synthesis of the antiviral drug tecovirimat and related sp<sup>3</sup>-rich scaffolds.","Organic & biomolecular chemistry","2024","22","41","8323","8327","10.1039/d4ob01379d","","x-ray","1.54184","CuKα","","0.0385","0.0345","","","0.0817","0.085","","","","","","1.036","","","","has coordinates","296666","2024-12-06","20:34:17",""
"7160158","7.453","0.004","10.846","0.005","11.701","0.006","84.04","0.03","75.55","0.03","76.36","0.03","889.1","0.8","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 N2 O4 S -","- C15 H16 N2 O4 S -","- C30 H32 N4 O8 S2 -","2","1","","Rajat, ?; Rajput, Shruti; Grover, Nitika; Jain, Nidhi","Photocatalyst-free regioselective sulfonamidation of <i>N</i>-(2-hydroxyaryl)amides in visible-light.","Organic & biomolecular chemistry","2024","22","43","8649","8655","10.1039/d4ob01393j","","","0.71073","MoKα","","0.1182","0.0972","","","0.2816","0.3037","","","","","","1.316","","","","has coordinates","296672","2024-12-06","20:35:04",""
"7160159","5.0399","0.0003","15.0255","0.0011","11.3318","0.0009","90","","93.975","0.002","90","","856.06","0.11","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 N2 O S -","- C8 H8 N2 O S -","- C32 H32 N8 O4 S4 -","4","1","","Zhang, Mengcheng; Chen, Yuying; Yan, Xiaoyu; Zhang, Yonggang; Ma, Xiantao","Synthesis of hydroxy-thiazoline substituted pyridine derivatives <i>via</i> [3 + 2] annulation of 1,4-dithiane-2,5-diol with cyanopyridine.","Organic & biomolecular chemistry","2024","22","42","8511","8515","10.1039/d4ob01388c","","","0.71073","MoKα","","0.04","0.0337","","","0.0922","0.0969","","","","","","1.069","","","","has coordinates","296677","2024-12-06","20:35:50",""
"7160160","11.21139","0.00004","12.29166","0.00006","29.87147","0.00011","90","","90.6371","0.0003","90","","4116.23","0.03","138.15","","138.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C81 H102 Cl2 N4 O28 -","- C81 H102 Cl2 N4 O28 -","- C162 H204 Cl4 N8 O56 -","2","1","","Song, Tianhang; Wu, Yifan; Ren, Jun; Wang, Zhongwen","Concise syntheses of (-)-quinocarcinol methyl ester and (-)-oxa-quinocarcinol methyl ester.","Organic & biomolecular chemistry","2024","22","44","8724","8729","10.1039/d4ob01363h","","x-ray","1.54184","CuKα","","0.0519","0.0509","","","0.1391","0.1405","","","","","","1.057","","","","has coordinates","296660","2024-12-06","20:33:07",""
"7160161","13.34","0.006","7.845","0.004","22.448","0.008","90","","119.39","0.02","90","","2046.9","1.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N5 O -","- C22 H15 N5 O -","- C88 H60 N20 O4 -","4","1","","Boruah, Aditi; Deb, Mohit L.; Thakuria, Ranjit; Baruah, Pranjal K.","L-Proline catalyzed multi-component synthesis of <i>N</i>-pyridyl-tetrahydroisoquinolines and their α-C(sp<sup>3</sup>)-H oxygenation.","Organic & biomolecular chemistry","2024","22","43","8608","8616","10.1039/d4ob01343c","","","0.71073","MoKα","","0.1723","0.1019","","","0.2213","0.2767","","","","","","0.957","","","","has coordinates","296670","2024-12-06","20:34:52",""
"7160162","16.101","0.005","7.088","0.003","17.585","0.006","90","","112.166","0.007","90","","1858.6","1.2","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N5 -","- C22 H17 N5 -","- C88 H68 N20 -","4","1","","Boruah, Aditi; Deb, Mohit L.; Thakuria, Ranjit; Baruah, Pranjal K.","L-Proline catalyzed multi-component synthesis of <i>N</i>-pyridyl-tetrahydroisoquinolines and their α-C(sp<sup>3</sup>)-H oxygenation.","Organic & biomolecular chemistry","2024","22","43","8608","8616","10.1039/d4ob01343c","","","0.71073","MoKα","","0.1018","0.0463","","","0.1067","0.1225","","","","","","0.896","","","","has coordinates","296670","2024-12-06","20:34:52",""
"7160163","7.85","0.003","7.904","0.0016","19.553","0.005","90","","90","","90","","1213.2","0.6","293","20","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2,2'-Dinitrodiphenyl sulfide","","- C12 H8 N2 O4 S -","- C12 H8 N2 O4 S -","- C48 H32 N8 O16 S4 -","4","1","","Nguyen, Le Anh; Mac, Dinh Hung; Retailleau, Pascal; Nguyen, Thanh Binh","Redox condensation of <i>o</i>-halonitrobenzenes, sulfur and isothiocyanates: access to 2-aminobenzothiazoles.","Organic & biomolecular chemistry","2024","22","43","8586","8590","10.1039/d4ob01512f","","","0.71073","MoKα","","0.0612","0.0528","","","0.141","0.146","","","","","","1.037","","","","has coordinates","296674","2024-12-06","20:35:24",""
"7160164","9.4717","0.0005","12.7788","0.0007","18.5575","0.001","90","","100.343","0.002","90","","2209.6","0.2","120","2","120","2","","","","","","","synthesized by the authors","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 O4 -","- C29 H22 O4 -","- C116 H88 O16 -","4","1","","Havlíková, Tereza; Nallappan, Sundaravelu; Císařová, Ivana; Rycek, Lukas","Synthesis and structural confirmation of selaginpulvilin X.","Organic & biomolecular chemistry","2024","22","45","8843","8846","10.1039/d4ob01529k","","","1.54178","CuKα","","0.033","0.0317","","","0.0796","0.0808","","","","","","1.042","","","","has coordinates","296703","2024-12-06","20:40:10",""
"7160165","5.2279","0.0001","13.8547","0.0004","20.134","0.0006","90","","90","","90","","1458.33","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","1","","Budnikov, Alexander S.; Krylov, Igor B.; Shevchenko, Mikhail I.; Sokova, Lyubov' L.; Liu, Yan; Yu, Bing; Terent'ev, Alexander O.","Synthesis of ω-functionalized ketones from strained cyclic alcohols by ring-opening and cross-recombination between alkyl and <i>N</i>-oxyl radicals.","Organic & biomolecular chemistry","2024","22","44","8755","8763","10.1039/d4ob01490a","","","0.71073","MoKα","","0.0342","0.0316","","","0.0823","0.0845","","","","","","1.027","","","","has coordinates","296662","2024-12-06","20:33:25",""
"7160166","9.3111","0.0004","15.9194","0.0007","16.2178","0.0007","98.43","0.002","106.068","0.002","95.002","0.002","2264.31","0.17","180","","180","","","","","","","","","4","P -1","-P 1","2","ureido receptor, calix[4]arene","4-{N?-(4-nitrophenyl)ureido}-25,26,27,28-tetrapropoxy-calix[4]arene (cone)","","- C49 H61 N3 O9 -","- C49 H61 N3 O9 -","- C98 H122 N6 O18 -","2","1","","Surina, A.; Čejka, J; Salvadori, K.; Lhoták, P","Anion recognition using <i>meta</i>-substituted ureidocalix[4]arene receptors.","Organic & biomolecular chemistry","2024","22","43","8669","8678","10.1039/d4ob01441c","","","1.5418","CuKα","","0.0633","0.0552","","0.1465","0.1382","0.1462","","","","","","1","","","","has coordinates,has disorder","296669","2024-12-06","20:34:44",""
"7160167","5.713","0.002","9.479","0.004","12.31","0.005","102.192","0.01","96.254","0.01","105.998","0.009","616.4","0.4","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C32 H24 N4 O4 -","2","1","","Chouhan, Raju; Gogoi, Abhijit; Das, Sajal Kumar","Constructing spirooxindoles from non-oxindole precursors: a one-pot nitro-reduction/double lactamization approach to spiro[indoline-3,3'-quinoline]-2,2'-diones.","Organic & biomolecular chemistry","2024","22","37","7601","7606","10.1039/d4ob01178c","","","0.71073","MoKα","","0.085","0.0534","","","0.1243","0.1432","","","","","","1.02","","","","has coordinates","295072","2024-10-05","12:34:26",""
"7160168","8.576","0.003","38.304","0.013","10.469","0.004","90","","109.747","0.01","90","","3237","2","140.02","","140.02","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H41 Cl2 N3 O5 Pd S -","- C30 H41 Cl2 N3 O5 Pd S -","- C120 H164 Cl8 N12 O20 Pd4 S4 -","4","1","","Mandal, Subham; Sarkar, Piyali; Ghosh, Pradyut","A macrocycle-based new organometallic nano-vessel towards sustainable C2-selective arylation of free indole in water.","Organic & biomolecular chemistry","2024","22","36","7438","7447","10.1039/d4ob00886c","","","0.71073","MoKα","","0.1076","0.0933","","","0.2378","0.2494","","","","","","1.07","","","","has coordinates","295073","2024-10-05","12:36:15",""
"7160169","6.9833","0.0006","7.9155","0.0007","24.658","0.002","90","","91.509","0.005","90","","1362.5","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 Cl N2 O3 -","- C14 H13 Cl N2 O3 -","- C56 H52 Cl4 N8 O12 -","4","1","","Punna, Shiva Kumar; Arockiaraj, Mariyaraj; Rajeshkumar, Venkatachalam","I<sub>2</sub>-catalyzed tandem sp<sup>3</sup> C-H oxidation and annulation of aryl methyl ketones with amidoximes for the synthesis of 5-aroyl-1,2,4-oxadiazoles.","Organic & biomolecular chemistry","2024","22","36","7478","7484","10.1039/d4ob01221f","","","0.71073","MoKα","","0.0732","0.0468","","","0.1193","0.1373","","","","","","0.99","","","","has coordinates","295074","2024-10-05","12:36:37",""
"7160170","7.695","0.0005","13.3275","0.0011","15.5682","0.0014","90","","93.638","0.004","90","","1593.4","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H7 Cl2 F3 N2 O2 -","- C16 H7 Cl2 F3 N2 O2 -","- C64 H28 Cl8 F12 N8 O8 -","4","1","","Punna, Shiva Kumar; Arockiaraj, Mariyaraj; Rajeshkumar, Venkatachalam","I<sub>2</sub>-catalyzed tandem sp<sup>3</sup> C-H oxidation and annulation of aryl methyl ketones with amidoximes for the synthesis of 5-aroyl-1,2,4-oxadiazoles.","Organic & biomolecular chemistry","2024","22","36","7478","7484","10.1039/d4ob01221f","","","0.71073","MoKα","","0.1071","0.0592","","","0.1628","0.1949","","","","","","1.022","","","","has coordinates","295074","2024-10-05","12:36:38",""
"7160171","8.8101","0.0009","12.3193","0.0011","13.1329","0.001","92.965","0.007","109.135","0.008","96.379","0.008","1332.4","0.2","273","","273","","","","","","","","","5","P -1","-P 1","2","","c31h27n3o3S","","- C31 H27 N3 O3 S -","- C31 H25 N3 O3 S -","- C62 H50 N6 O6 S2 -","2","1","","Kaur, Ramandeep; Dilip, Haritha; Kirubakaran, Sivapriya; Babu, Srinivasarao Arulananda","Synthesis of biaryl-based carbazoles <i>via</i> C-H functionalization and exploration of their anticancer activities.","Organic & biomolecular chemistry","2024","22","45","8916","8944","10.1039/d4ob01392a","","x-ray","0.71073","MoKα","","0.1261","0.0599","","","0.146","0.198","","","","","","1.022","","","","has coordinates","296700","2024-12-06","20:39:50",""
"7160172","10.6272","0.0002","16.6924","0.0002","9.0871","0.0001","90","","109.219","0.002","90","","1522.15","0.04","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O3 S -","- C17 H17 N O3 S -","- C68 H68 N4 O12 S4 -","4","1","","Thunga, Sanjeeva; Singh, Neetika; Inapanuri, Madhu; Kokatla, Hari Prasad","Rongalite induced metal-free C(sp<sup>2</sup>)-H functionalization of indoles: direct access to 3-(sulfonylmethyl) indoles.","Organic & biomolecular chemistry","2024","22","44","8787","8792","10.1039/d4ob01356e","","x-ray","1.54184","CuKα","","0.0371","0.0364","","","0.0972","0.0978","","","","","","1.0312","","","","has coordinates","296663","2024-12-06","20:33:33",""
"7160173","8.4532","0.0002","10.3709","0.0002","12.4478","0.0003","96.935","0.002","104.121","0.002","102.127","0.002","1017.51","0.04","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C12.5 H12.5 N0.5 O S0.5 -","- C12.5 H12.5 N0.5 O S0.5 -","- C50 H50 N2 O4 S2 -","4","2","","Thunga, Sanjeeva; Singh, Neetika; Inapanuri, Madhu; Kokatla, Hari Prasad","Rongalite induced metal-free C(sp<sup>2</sup>)-H functionalization of indoles: direct access to 3-(sulfonylmethyl) indoles.","Organic & biomolecular chemistry","2024","22","44","8787","8792","10.1039/d4ob01356e","","x-ray","1.54184","CuKα","","0.0411","0.039","","","0.105","0.1065","","","","","","1.0231","","","","has coordinates","296663","2024-12-06","20:33:33",""
"7160174","6.0708","0.0012","12.58","0.002","21.139","0.004","90","","91.779","0.007","90","","1613.6","0.5","229.24","","229.24","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C84 H68 N4 O8 -","4","1","","Duari, Surajit; Biswas, Subrata; Roy, Arnab; Maity, Srabani; Elsharif, Asma M.; Biswas, Srijit","MeOTf-catalyzed Friedel-Crafts alkylation of benzoxazolones, benzothiazolones, indolinones and benzimidazolones with activated secondary alcohols.","Organic & biomolecular chemistry","2024","22","44","8801","8810","10.1039/d4ob01372g","","","0.71073","MoKα","","0.0773","0.0626","","","0.1658","0.1824","","","","","","1.039","","","","has coordinates","296661","2024-12-06","20:33:18",""
"7160175","13.3265","0.0016","6.1652","0.0008","31.478","0.004","90","","90","","90","","2586.2","0.6","180","","180","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15 H13 N O S -","- C15 H13 N O S -","- C120 H104 N8 O8 S8 -","8","2","","Duari, Surajit; Biswas, Subrata; Roy, Arnab; Maity, Srabani; Elsharif, Asma M.; Biswas, Srijit","MeOTf-catalyzed Friedel-Crafts alkylation of benzoxazolones, benzothiazolones, indolinones and benzimidazolones with activated secondary alcohols.","Organic & biomolecular chemistry","2024","22","44","8801","8810","10.1039/d4ob01372g","","","0.71073","MoKα","","0.1179","0.0562","","","0.1283","0.1687","","","","","","1.043","","","","has coordinates","296661","2024-12-06","20:33:19",""
"7160176","11.6545","0.0007","15.2783","0.0009","18.493","0.001","85.94","0.002","81.147","0.002","76.613","0.002","3163.1","0.3","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C36.53 H28.05 Cl2.05 N4 O4 -","- C36 H27 Cl N4 O4 -","- C144 H108 Cl4 N16 O16 -","4","2","","Liang, Peiyao; Chen, Siyi; Liu, Xin; Teng, Shenghan; Wang, Shoulei","Base-promoted cascade vinylogous Michael/Michael addition of alkylidene succinimides for the construction of penta-substituted cyclopentanes.","Organic & biomolecular chemistry","2024","22","45","8832","8837","10.1039/d4ob01455c","","","0.71073","MoKα","","0.0901","0.0494","","","0.1296","0.1451","","","","","","1.057","","","","has coordinates","296701","2024-12-06","20:39:58",""
"7160177","14.5848","0.0015","8.7233","0.001","15.8098","0.0018","90","","115.796","0.013","90","","1811","0.4","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N O3 -","- C23 H19 N O3 -","- C92 H76 N4 O12 -","4","1","","Liu, Xiaobing; Ban, Yong-Liang; Liu, Yanjie; Zhuang, Mengdie; Zhou, Yao","Palladium-catalyzed C-H bond activation and decarboxylation for the assembly of indolo[1,2-<i>f</i>]phenanthridine.","Organic & biomolecular chemistry","2024","22","47","9188","9191","10.1039/d4ob01383b","","x-ray","0.71073","MoKα","","0.1262","0.0644","","","0.1358","0.1626","","","","","","1.021","","","","has coordinates,has disorder","296691","2024-12-06","20:37:57",""
"7160178","7.9636","0.0005","17.0485","0.001","10.3861","0.0007","90","","92.71","0.003","90","","1408.52","0.15","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 O -","- C19 H14 N2 O -","- C76 H56 N8 O4 -","4","1","","Chahal, Kapil; Badhavath, Ravikumar; Matharu, Simran Kaur; Vinod, Anjana; Vani, Damera; Potluri, Vijaya Rani; Sridhar, Balasubramanian; Reddy, Kallu Rajender","Silver-catalyzed regioselective synthesis of pyrano heterocycles: a versatile route to samoquasine A derivatives.","Organic & biomolecular chemistry","2024","22","45","8898","8903","10.1039/d4ob01446d","","","0.71073","MoKα","","0.0989","0.0548","","","0.1273","0.1544","","","","","","1.046","","","","has coordinates","296702","2024-12-06","20:40:04",""
"7160179","6.8003","0.0001","28.655","0.0003","10.6061","0.0001","90","","93.452","0.001","90","","2062.98","0.04","293.88","0.1","293.88","0.1","","","","","","","synthetic","6","P 1 21 1","P 2yb","4","","(R)-2-(uracil-1-yl)-(SP)-N-(2-thio-4,4-pentamethylene-1,3,2-oxathiaphospholane-2-yl)-(S)-6-hydroxymethyl-morpholine","","- C16 H24 N3 O5 P S2 -","- C16 H24 N3 O5 P S2 -","- C64 H96 N12 O20 P4 S8 -","4","2","","Jastrzębska, Katarzyna; Antończyk, Patrycja; Dolot, Rafał","P-Stereodefined morpholino dinucleoside 3',5'-phosphorothioates.","Organic & biomolecular chemistry","2024","22","44","8737","8742","10.1039/d4ob01437e","","x-ray","1.54184","CuKα","","0.0491","0.0486","","","0.1313","0.1319","","","","","","1.028","","","","has coordinates","296659","2024-12-06","20:32:58",""
"7160180","7.4472","0.0002","6.4902","0.0002","20.4323","0.0005","90","","91.566","0.002","90","","987.2","0.05","293.88","0.1","293.88","0.1","","","","","","","synthetic","6","P 1 21 1","P 2yb","4","","(R)-2-(uracil-1-yl)-(RP)-N-(2-thio-4,4-pentamethylene-1,3,2-oxathiaphospholane-2-yl)-(S)-6-hydroxymethyl-morpholine","","- C16 H24 N3 O5 P S2 -","- C16 H24 N3 O5 P S2 -","- C32 H48 N6 O10 P2 S4 -","2","1","","Jastrzębska, Katarzyna; Antończyk, Patrycja; Dolot, Rafał","P-Stereodefined morpholino dinucleoside 3',5'-phosphorothioates.","Organic & biomolecular chemistry","2024","22","44","8737","8742","10.1039/d4ob01437e","","x-ray","1.54184","CuKα","","0.031","0.0299","","","0.076","0.0768","","","","","","1.048","","","","has coordinates","296659","2024-12-06","20:32:58",""
"7160181","10.2072","0.0006","10.9695","0.0005","13.5745","0.0006","69.772","0.004","69.194","0.005","76.134","0.004","1321.28","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H28 N2 O -","- C36 H28 N2 O -","- C72 H56 N4 O2 -","2","1","","Zou, Ning; Wu, Yu-Zheng; Shang, Zi-Wei; Cao, Yu-Wei; Liao, Li-Min; Wei, Cui; Mo, Dong-Liang; Zhou, Wen-Jun","Asymmetric [3 + 3] cycloaddition of cinnamaldehyde-derived <i>N</i>-aryl nitrones with 2-indolemethanols enabled by chiral phosphoric acid.","Organic & biomolecular chemistry","2024","22","46","9047","9052","10.1039/d4ob01365d","","","1.54184","CuKα","","0.0424","0.0384","","","0.1016","0.1046","","","","","","1.055","","","","has coordinates","296685","2024-12-06","20:37:09",""
"7160182","9.725","0.0003","9.1469","0.0002","18.4748","0.0005","90","","97.306","0.001","90","","1630.06","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 N6 S2 -","- C12 H22 N6 S2 -","- C48 H88 N24 S8 -","4","1","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","Effective self-assembly of 21- and 14-membered azamacrocycles <i>via</i> condition-controlled cyclotrimerization or cyclodimerization of different thiosemicarbazide-based precursors.","Organic & biomolecular chemistry","2024","22","46","9078","9093","10.1039/d4ob01384k","","","0.71073","MoKα","","0.0764","0.0604","","","0.1587","0.1714","","","","","","1.057","","","","has coordinates","296686","2024-12-06","20:37:17",""
"7160183","12.8167","0.0004","11.897","0.0004","18.1261","0.0006","90","","90.928","0.001","90","","2763.51","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H40 N10 O S3 -","- C21 H40 N10 O S3 -","- C84 H160 N40 O4 S12 -","4","1","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","Effective self-assembly of 21- and 14-membered azamacrocycles <i>via</i> condition-controlled cyclotrimerization or cyclodimerization of different thiosemicarbazide-based precursors.","Organic & biomolecular chemistry","2024","22","46","9078","9093","10.1039/d4ob01384k","","","0.71073","MoKα","","0.0866","0.049","","","0.0867","0.098","","","","","","1.041","","","","has coordinates,has disorder","296686","2024-12-06","20:37:18",""
"7160184","9.5665","0.0004","9.9423","0.0004","10.1434","0.0006","119.141","0.0013","91.334","0.002","97.5234","0.0017","831.17","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 N O3 -","- C20 H16 N O3 -","- C40 H32 N2 O6 -","2","1","","Parthasarathy, Kanniyappan; Prabhakaran, Mohan; Sanjana, Ramesh","Ruthenium-catalyzed Heck coupling of 3-arylidene-oxindoles with alkenes: a facile synthesis of 3-allylidene-2(3H)-oxindoles","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01072H","","","0.71073","MoKα","","0.0532","0.0454","","","0.1215","0.1309","","","","","","1.033","","","","has coordinates","295499","2024-10-16","00:41:18",""
"7160185","8.5589","0.0001","9.7336","0.0001","10.9797","0.0001","90","","102.688","0.001","90","","892.37","0.016","120","0.1","120.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H21 N O2 -","- C23 H21 N O2 -","- C46 H42 N2 O4 -","2","1","","Amire, Niyaz; Almagambetova, Kamila M.; Turlykul, Assel; Taishybay, Aidyn; Nuroldayeva, Gulzat; Belyaev, Andrey; Peshkov, Anatoly A.; Utepbergenov, Darkhan; Peshkov, Vsevolod A.","Triflic-acid promoted post-Ugi condensation for the assembly of 2,6-diarylmorpholin-3-ones","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01270D","","","1.54184","CuKα","","0.026","0.0257","","","0.0663","0.0665","","","","","","1.025","","","","has coordinates","295513","2024-10-17","00:35:57",""
"7160186","5.3926","0.0001","9.5816","0.0002","16.9103","0.0004","90","","90.234","0.002","90","","873.74","0.03","120","0.1","120","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C46 H38 N2 O4 -","2","1","","Amire, Niyaz; Almagambetova, Kamila M.; Turlykul, Assel; Taishybay, Aidyn; Nuroldayeva, Gulzat; Belyaev, Andrey; Peshkov, Anatoly A.; Utepbergenov, Darkhan; Peshkov, Vsevolod A.","Triflic-acid promoted post-Ugi condensation for the assembly of 2,6-diarylmorpholin-3-ones","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01270D","","x-ray","1.54184","CuKα","","0.0345","0.0329","","","0.0881","0.0894","","","","","","1.067","","","","has coordinates","295513","2024-10-17","00:35:58",""
"7160187","8.4356","0.0001","9.1127","0.0001","11.9169","0.0002","90","","101.344","0.001","90","","898.17","0.02","120.01","0.1","120.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H23 N O -","- C23 H23 N O -","- C46 H46 N2 O2 -","2","1","","Amire, Niyaz; Almagambetova, Kamila M.; Turlykul, Assel; Taishybay, Aidyn; Nuroldayeva, Gulzat; Belyaev, Andrey; Peshkov, Anatoly A.; Utepbergenov, Darkhan; Peshkov, Vsevolod A.","Triflic-acid promoted post-Ugi condensation for the assembly of 2,6-diarylmorpholin-3-ones","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01270D","","x-ray","1.54184","CuKα","","0.0283","0.0277","","","0.0673","0.0677","","","","","","1.084","","","","has coordinates","295513","2024-10-17","00:35:58",""
"7160188","12.5627","0.0011","14.7048","0.0007","14.8441","0.0007","90","","90","","90","","2742.2","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10.67 H9.33 N0.67 O0.67 Se0.33 -","- C10.6667 H9.33333 N0.666667 O0.666667 Se0.333333 -","- C128 H112 N8 O8 Se4 -","12","3","","Zhang, Xinqin; Yang, Qin; Zeng, Xiaofeng; Fu, Yang; Ding, Qiuping; Peng, Yiyuan","Highly selective synthesis of selenium-containing (<i>E</i>)-<i>N</i>-propenolquinazolinones <i>via</i> FeCl<sub>3</sub>-mediated cascade reaction of propargyl quinazoline-4-yl ethers with diselenides.","Organic & biomolecular chemistry","2024","22","47","9231","9241","10.1039/d4ob01498g","","x-ray","0.71073","MoKα","","0.0942","0.0474","","","0.0827","0.0981","","","","","","0.998","","","","has coordinates","296690","2024-12-06","20:37:50",""
"7160189","6.4888","0.001","17.779","0.003","13.5432","0.0019","90","","101.669","0.004","90","","1530.1","0.4","273.15","","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 O S -","- C17 H22 O S -","- C68 H88 O4 S4 -","4","1","","Liu, Lanqin; Guo, Shengkun; Chen, Chengjun; Shen, Xiaoyu; Chen, Xiaoyun; Yu, Huaguang; Han, Ying; Sun, Qiu; Zhu, Shaoqun; Hou, Hong","Visible-light photoredox-catalyzed three-component radical alkyl-acylation of [1.1.1]propellane.","Organic & biomolecular chemistry","2024","22","47","9192","9196","10.1039/d4ob01549e","","","0.71073","MoKα","","0.1067","0.0587","","","0.1443","0.1666","","","","","","1.03","","","","has coordinates","296688","2024-12-06","20:37:34",""
"7160190","11.1157","0.0004","12.0628","0.0005","16.2649","0.0004","94.895","0.002","102.914","0.002","109.561","0.003","1972.37","0.13","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C54 H42 O2 -","- C54 H42 O2 -","- C108 H84 O4 -","2","1","","Liu, Tianyu; Luo, Yong; Liu, Yidong","Construction of fused heterocycles by visible-light induced dearomatization of nonactivated arenes.","Organic & biomolecular chemistry","2024","22","47","9179","9183","10.1039/d4ob01530d","","x-ray","1.54184","CuKα","","0.0655","0.0566","","","0.1771","0.184","","","","","","1.123","","","","has coordinates","296692","2024-12-06","20:38:16",""
"7160191","12.4378","0.0007","7.5087","0.0005","19.5257","0.0011","90","","96.794","0.005","90","","1810.73","0.19","292.46","0.15","292.46","0.15","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","'rac-(R)-4-hydroxy-4-methyl-3-phenyl-3,4-dihydroquinazoline-2(1H)-thione, dmso solvate'","","- C17 H20 N2 O2 S2 -","- C17 H20 N2 O2 S2 -","- C68 H80 N8 O8 S8 -","4","1","","Nguyen, Le Anh; Nguyen, Thi Thu Tram; Ngo, Quoc Anh; Retailleau, Pascal; Nguyen, Thanh Binh","Solvent-free and Catalyst-free Reaction of o-Amino Benzophenone with Aryl Isothiocyanates: Expedient Access to Congested 4-Phenyl-4-Hydroxyquinazolin-2-thione Derivatives","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01452A","","x-ray","0.71073","MoKα","","0.0533","0.0389","","","0.0869","0.0929","","","","","","1.0824","","","","has coordinates,has disorder","295674","2024-10-30","01:37:00",""
"7160192","23.722","0.003","7.1939","0.0008","8.2904","0.0008","90","","90","","90","","1414.8","0.3","297","","297","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H13 N3 O S Se -","- C13 H13 N3 O S Se -","- C52 H52 N12 O4 S4 Se4 -","4","1","","Yu, Xiao; Hao, Liqiang; Liu, xian; Jin, Shengkui; Li, Yangchen; Liu, Yiping; Ji, Yafei","Electrochemical one-pot cascade synthesis of thio(seleno)cyanato-substituted thiazolidine-2-imines without external electrolyte","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01626B","","x-ray","1.54178","CuKα","","0.0351","0.0314","","","0.0804","0.081","","","","","","1.108","","","","has coordinates","295683","2024-10-31","01:39:11",""
"7160193","35.903","0.007","65.428","0.013","36.158","0.007","90","","93.93","0.03","90","","84738","3","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C150.5 H111.12 N26.38 O33.75 S3 -","- C150.5 H111.125 N26.375 O33.75 S3 -","- C2408 H1778 N422 O540 S48 -","16","4","","Kwon, Sunbum; Morozov, Vasily; Wang, Lingfei; Mandal, Pradeep Kumar; Chaignepain, Stéphane; Douat, Céline; Huc, Ivan","Interrogating the potential of helical aromatic foldamers for protein recognition","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01436G","","","0.8","Synchrotron","","0.2462","0.218","","","0.536","0.5628","","","","","","2.426","","","","has coordinates,has disorder","295684","2024-10-31","01:39:57",""
"7160194","16.624","0.002","5.291","0.0008","23.77","0.003","90","","102.602","0.005","90","","2040.4","0.5","298","2","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 Cl N O3 -","- C25 H18 Cl N O3 -","- C100 H72 Cl4 N4 O12 -","4","1","","Keerthana, Pari; Suresh, Sundararajan; Nawaz Khan, Fazlur-Rahman","Facile Synthesis of Functionalized Quinolinones in Greener Reaction Medium and Their Photophysical Properties","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01390E","","","0.71073","MoKα","","0.1107","0.054","","","0.1314","0.1742","","","","","","1.033","","","","has coordinates,has disorder","295685","2024-10-31","01:40:27",""
"7160195","31.3651","0.0017","11.6284","0.0006","20.257","0.0011","90","","97.297","0.002","90","","7328.4","0.7","302","2","302","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H25.5 Cl4 N O4.25 -","- C39 H23 Cl4 N O3 -","- C312 H184 Cl32 N8 O24 -","8","1","","Keerthana, Pari; Suresh, Sundararajan; Nawaz Khan, Fazlur-Rahman","Facile Synthesis of Functionalized Quinolinones in Greener Reaction Medium and Their Photophysical Properties","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01390E","","","0.71073","MoKα","","0.1141","0.0541","","","0.1272","0.1662","","","","","","1.013","","","","has coordinates","295685","2024-10-31","01:40:27",""
"7160196","10.8128","0.0004","11.8787","0.0006","13.9111","0.0005","96.12","0.004","91.98","0.003","96.465","0.004","1763.33","0.13","100","0.11","100","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 I N2 O6 -","- C17 H15 I N2 O6 -","- C68 H60 I4 N8 O24 -","4","2","","Banerjee, Ankush; Brisco, Tiffany A.; Ray, Sneha; Datta, Arani; Zhang, Xiaoyu; Zhang, Zhen; Busse, Alexander A.; Niederstrasser, Hanspeter; Sumida, Krissty; Posner, Bruce A.; Wetzel, Dawn M.; Phillips, Margaret A.; Smith, Myles W.","Synthesis of the 5/5-Spiroindimicin Alkaloids: Development of a General Synthetic Approach and Biological Investigations","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01552E","","x-ray","1.54184","CuKα","","0.054","0.053","","","0.1424","0.1437","","","","","","1.041","","","","has coordinates","295709","2024-11-01","01:34:52",""
"7160197","10.2648","0.0001","14.8701","0.0001","12.7374","0.0001","90","","97.874","0.001","90","","1925.89","0.03","100.01","0.12","100.01","0.12","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","spiroindimicin F","","- C23 H18 Cl N3 O2 -","- C23 H18 Cl N3 O2 -","- C92 H72 Cl4 N12 O8 -","4","1","","Banerjee, Ankush; Brisco, Tiffany A.; Ray, Sneha; Datta, Arani; Zhang, Xiaoyu; Zhang, Zhen; Busse, Alexander A.; Niederstrasser, Hanspeter; Sumida, Krissty; Posner, Bruce A.; Wetzel, Dawn M.; Phillips, Margaret A.; Smith, Myles W.","Synthesis of the 5/5-Spiroindimicin Alkaloids: Development of a General Synthetic Approach and Biological Investigations","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01552E","","x-ray","1.54184","CuKα","","0.0345","0.0343","","","0.0894","0.0895","","","","","","1.036","","","","has coordinates","295709","2024-11-01","01:34:53",""
"7160198","9.1305","0.0003","9.5099","0.0003","9.6003","0.0004","73.634","0.004","81.798","0.003","72.598","0.003","761.66","0.05","100.02","0.14","100.02","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C15 H12 Br Cl N2 O4 -","- C15 H12 Br Cl N2 O4 -","- C30 H24 Br2 Cl2 N4 O8 -","2","1","","Banerjee, Ankush; Brisco, Tiffany A.; Ray, Sneha; Datta, Arani; Zhang, Xiaoyu; Zhang, Zhen; Busse, Alexander A.; Niederstrasser, Hanspeter; Sumida, Krissty; Posner, Bruce A.; Wetzel, Dawn M.; Phillips, Margaret A.; Smith, Myles W.","Synthesis of the 5/5-Spiroindimicin Alkaloids: Development of a General Synthetic Approach and Biological Investigations","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01552E","","x-ray","1.54184","CuKα","","0.0237","0.0237","","","0.062","0.062","","","","","","1.058","","","","has coordinates","295709","2024-11-01","01:34:53",""
"7160199","13.4512","0.0001","8.0223","0.0001","14.9534","0.0002","90","","104.141","0.001","90","","1564.72","0.03","100.1","0.4","100.1","0.4","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Br Cl N2 O4 -","- C15 H12 Br Cl N2 O4 -","- C60 H48 Br4 Cl4 N8 O16 -","4","1","","Banerjee, Ankush; Brisco, Tiffany A.; Ray, Sneha; Datta, Arani; Zhang, Xiaoyu; Zhang, Zhen; Busse, Alexander A.; Niederstrasser, Hanspeter; Sumida, Krissty; Posner, Bruce A.; Wetzel, Dawn M.; Phillips, Margaret A.; Smith, Myles W.","Synthesis of the 5/5-Spiroindimicin Alkaloids: Development of a General Synthetic Approach and Biological Investigations","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01552E","","x-ray","1.54184","CuKα","","0.0276","0.0276","","","0.0758","0.0758","","","","","","1.099","","","","has coordinates","295709","2024-11-01","01:34:53",""
"7160200","5.2957","0.0003","16.3601","0.0012","18.4809","0.0013","90","","94.244","0.002","90","","1596.76","0.19","139","2","139","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 F3 N2 O -","- C17 H15 F3 N2 O -","- C68 H60 F12 N8 O4 -","4","1","","Panda, Tarun K.; Devadkar , Ajitaro; Paul, Ishita; Dey, Soumyadip; Sau, Abhijit","Facile access to trifluoromethyl propargyl alcohol by metal free transfer hydrogenation and cyanation of alkynyl Ketone","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00844H","","","0.71073","MoKα","","0.0764","0.0559","","","0.1432","0.1588","","","","","","1.046","","","","has coordinates","295739","2024-11-04","01:32:34",""
"7160201","7.0003","0.0005","10.2027","0.0007","12.3065","0.0008","105.651","0.002","105.77","0.002","101.84","0.002","776.85","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 F3 N3 -","- C18 H14 F3 N3 -","- C36 H28 F6 N6 -","2","1","","Panda, Tarun K.; Devadkar , Ajitaro; Paul, Ishita; Dey, Soumyadip; Sau, Abhijit","Facile access to trifluoromethyl propargyl alcohol by metal free transfer hydrogenation and cyanation of alkynyl Ketone","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00844H","","","0.71073","MoKα","","0.0409","0.037","","","0.0959","0.099","","","","","","1.035","","","","has coordinates","295739","2024-11-04","01:32:35",""
"7160202","13.9662","0.0018","6.6425","0.0008","16.868","0.002","90","","106.588","0.005","90","","1499.7","0.3","305","2","305","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Cl F3 N2 -","- C16 H12 Cl F3 N2 -","- C64 H48 Cl4 F12 N8 -","4","1","","Panda, Tarun K.; Devadkar , Ajitaro; Paul, Ishita; Dey, Soumyadip; Sau, Abhijit","Facile access to trifluoromethyl propargyl alcohol by metal free transfer hydrogenation and cyanation of alkynyl Ketone","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00844H","","","0.71073","MoKα","","0.0728","0.0495","","","0.1281","0.1441","","","","","","1.04","","","","has coordinates","295739","2024-11-04","01:32:35",""
"7160203","9.5849","0.0005","17.057","0.0007","26.146","0.0017","90","","90","","90","","4274.6","0.4","293","2","293","2","","","","","","","synthesized","3","P 21 21 21","P 2ac 2ab","19","","","","- C58 H44 N4 -","- C58 H44 N4 -","- C232 H176 N16 -","4","1","","Wani, Aabid; Bhujbal, Shivkanya Madhavrao; Sherpa, Deekey; Kathuria, Deepika; Chourasiya, Sumit S.; Sahoo, Subash Chandra; Bharatam, Prasad V.","1,1-Diaminoazine based Pd(II) NNN Pincer Complex: Generation, Characterization, and Application in Catalyzing the Acceptorless Dehydrogenative Coupling","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01576B","","x-ray","0.71073","MoKα","","0.1614","0.0631","","","0.1341","0.1779","","","","","","0.916","","","","has coordinates","295740","2024-11-04","01:33:01",""
"7160204","11.4075","0.0001","12.0938","0.0001","13.1116","0.0001","81.557","0.001","67.569","0.001","73.629","0.001","1602.65","0.03","300.57","0.1","300.57","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H23 Cl3 N2 O7 -","- C34 H23 Cl3 N2 O7 -","- C68 H46 Cl6 N4 O14 -","2","1","","Dong, Lin; Zhang, Chao","Iridium-catalyzed tandem olefination/aza-Michael reaction: rapid access to N-N functionalized hydrazides","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01631A","","x-ray","1.54184","CuKα","","0.0544","0.0515","","","0.1424","0.145","","","","","","1.106","","","","has coordinates","295768","2024-11-05","01:32:32",""
"7160205","6.5464","0.0004","13.7584","0.0008","16.2007","0.001","67.284","0.006","85.636","0.005","87.696","0.005","1341.98","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 F3 N2 S -","- C13 H13 F3 N2 S -","- C52 H52 F12 N8 S4 -","4","2","","Liu, Pan; Geng, Yang; Zou, Dapeng; Wu, Yangjie; Wu, Yusheng","Silver-mediated radical cascade trifluoromethylthiolation/cyclization of benzimidazole derivatives with AgSCF<sub>3</sub>.","Organic & biomolecular chemistry","2024","","","","","10.1039/d4ob01582g","","x-ray","1.54184","CuKα","","0.133","0.1078","","","0.3296","0.3717","","","","","","1.197","","","","has coordinates,has disorder","295769","2024-11-05","01:32:50",""
"7160206","8.6209","0.0001","14.4274","0.0002","20.7278","0.0003","90","","91.201","0.002","90","","2577.5","0.06","293","2","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1","","- C31 H26 O6 -","- C31 H26 O6 -","- C124 H104 O24 -","4","1","","Sun, Honghao; Ding, Siyuan; Wang, Bo; Huang, Jiaxing; Guo, Hongchao","Palladium-Catalyzed [3+2] Cycloaddition of 4-Vinyl-4-Butyro-lactones with Sulfamate-Derived Cyclic Imines: Construction of Sulfamate-Fused Pyrrolidines","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01611D","","x-ray","1.54184","CuKα","","0.0415","0.0375","","","0.1059","0.1095","","","","","","1.059","","","","has coordinates","295814","2024-11-07","01:49:45",""
"7160207","11.568","0.003","7.6379","0.0019","30.481","0.007","90","","90","","90","","2693.2","1.1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C128 H112 N16 O8 -","8","1","","He, Kun; Zeng, Weikun; Yu, Xianglin; Zhou, Jun; Jin, Yi","Direct synthesis of Enone-Hydrazones under solvent free and additives free conditions","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01578A","","","0.71073","MoKα","","0.0911","0.0548","","","0.1584","0.1834","","","","","","1.043","","","","has coordinates","295815","2024-11-07","01:50:04",""
"7160208","14.55","0.019","6.415","0.009","21.4","0.03","90","","100.555","0.011","90","","1964","5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N2 O -","- C24 H22 N2 O -","- C96 H88 N8 O4 -","4","1","","He, Kun; Zeng, Weikun; Yu, Xianglin; Zhou, Jun; Jin, Yi","Direct synthesis of Enone-Hydrazones under solvent free and additives free conditions","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01578A","","","0.71073","MoKα","","0.2217","0.0824","","","0.1761","0.2388","","","","","","1.014","","","","has coordinates","295815","2024-11-07","01:50:05",""
"7160209","10.719","0.002","6.7143","0.0018","19.67","0.005","90","","99.99","0.01","90","","1394.2","0.6","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H10 Cl N O2 -","- C17 H10 Cl N O2 -","- C68 H40 Cl4 N4 O8 -","4","1","","Sahoo, Tanmoy; Prasanna, Dasari Vijaya; Sridhar, B.; Subba Reddy, B. V.","Novel electron donor-acceptor (EDA) complex promoted arylation of 2-oxo-2<i>H</i>-chromene-3-carbonitriles under visible light irradiation.","Organic & biomolecular chemistry","2024","","","","","10.1039/d4ob01493f","","","0.71073","MoKα","","0.0837","0.0446","","","0.1139","0.1421","","","","","","1.064","","","","has coordinates","295816","2024-11-07","01:50:35",""
"7160210","3.7758","0.0004","18.2803","0.0016","5.4893","0.0007","90","","109.377","0.013","90","","357.42","0.07","98.4","0.8","98.4","0.8","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H2 N6 S2 -","- C4 H2 N6 S2 -","- C8 H4 N12 S4 -","2","0.5","","Cheruthu, Nusaiba Madappuram; Hashim, P. K.; Sahu, Saugata; Takahashi, Kiyonori; Nakamura, Takayoshi; Mitomo, Hideyuki; Ijiro, Kuniharu; Tamaoki, Nobuyuki","Azophotoswitches containing thiazole, isothiazole, thiadiazole, and isothiadiazole","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01573H","","x-ray","0.71073","MoKα","","0.0352","0.0311","","","0.0773","0.0793","","","","","","1.085","","","","has coordinates","295817","2024-11-07","01:51:20",""
"7160211","5.4717","0.0003","9.3558","0.0005","7.3148","0.0004","90","","95.154","0.005","90","","372.95","0.04","98.8","0.6","98.8","0.6","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H2 N6 S2 -","- C4 H2 N6 S2 -","- C8 H4 N12 S4 -","2","0.5","","Cheruthu, Nusaiba Madappuram; Hashim, P. K.; Sahu, Saugata; Takahashi, Kiyonori; Nakamura, Takayoshi; Mitomo, Hideyuki; Ijiro, Kuniharu; Tamaoki, Nobuyuki","Azophotoswitches containing thiazole, isothiazole, thiadiazole, and isothiadiazole","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01573H","","x-ray","0.71073","MoKα","","0.0257","0.0218","","","0.0545","0.0569","","","","","","1.052","","","","has coordinates,has disorder","295817","2024-11-07","01:51:21",""
"7160212","10.3127","0.0008","5.0803","0.0002","10.6479","0.0007","90","","118.281","0.009","90","","491.27","0.07","292.95","0.1","292.95","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 N4 S2 -","- C8 H8 N4 S2 -","- C16 H16 N8 S4 -","2","0.5","","Cheruthu, Nusaiba Madappuram; Hashim, P. K.; Sahu, Saugata; Takahashi, Kiyonori; Nakamura, Takayoshi; Mitomo, Hideyuki; Ijiro, Kuniharu; Tamaoki, Nobuyuki","Azophotoswitches containing thiazole, isothiazole, thiadiazole, and isothiadiazole","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01573H","","x-ray","0.71073","MoKα","","0.0448","0.0366","","","0.0937","0.1021","","","","","","1.049","","","","has coordinates","295817","2024-11-07","01:51:21",""
"7160213","8.1698","0.0004","5.5451","0.0003","19.2296","0.0009","90","","97.039","0.004","90","","864.58","0.08","200","0.14","200","0.14","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 N4 S -","- C8 H6 N4 S -","- C32 H24 N16 S4 -","4","1","","Cheruthu, Nusaiba Madappuram; Hashim, P. K.; Sahu, Saugata; Takahashi, Kiyonori; Nakamura, Takayoshi; Mitomo, Hideyuki; Ijiro, Kuniharu; Tamaoki, Nobuyuki","Azophotoswitches containing thiazole, isothiazole, thiadiazole, and isothiadiazole","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01573H","","x-ray","1.54184","CuKα","","0.0527","0.0475","","","0.1371","0.1412","","","","","","1.059","","","","has coordinates,has disorder","295817","2024-11-07","01:51:21",""
"7160214","5.4747","0.0002","15.4161","0.0006","10.5241","0.0004","90","","104.253","0.004","90","","860.88","0.06","199.95","0.1","199.95","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C8 H6 N4 S -","- C8 H6 N4 S -","- C32 H24 N16 S4 -","4","1","","Cheruthu, Nusaiba Madappuram; Hashim, P. K.; Sahu, Saugata; Takahashi, Kiyonori; Nakamura, Takayoshi; Mitomo, Hideyuki; Ijiro, Kuniharu; Tamaoki, Nobuyuki","Azophotoswitches containing thiazole, isothiazole, thiadiazole, and isothiadiazole","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01573H","","x-ray","0.71073","MoKα","","0.0383","0.0347","","","0.089","0.0908","","","","","","1.081","","","","has coordinates","295817","2024-11-07","01:51:22",""
"7160215","4.6262","0.0002","10.7086","0.0004","17.0055","0.0007","90","","90","","90","","842.45","0.06","199.9","0.14","199.9","0.14","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 N4 S -","- C8 H6 N4 S -","- C32 H24 N16 S4 -","4","1","","Cheruthu, Nusaiba Madappuram; Hashim, P. K.; Sahu, Saugata; Takahashi, Kiyonori; Nakamura, Takayoshi; Mitomo, Hideyuki; Ijiro, Kuniharu; Tamaoki, Nobuyuki","Azophotoswitches containing thiazole, isothiazole, thiadiazole, and isothiadiazole","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01573H","","x-ray","0.71073","MoKα","","0.0357","0.0291","","","0.0682","0.0705","","","","","","1.047","","","","has coordinates","295817","2024-11-07","01:51:22",""
"7160216","5.9619","0.0003","8.0466","0.0006","18.143","0.0011","90","","90","","90","","870.37","0.09","200","0.14","200","0.14","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 N4 S -","- C8 H6 N4 S -","- C32 H24 N16 S4 -","4","1","","Cheruthu, Nusaiba Madappuram; Hashim, P. K.; Sahu, Saugata; Takahashi, Kiyonori; Nakamura, Takayoshi; Mitomo, Hideyuki; Ijiro, Kuniharu; Tamaoki, Nobuyuki","Azophotoswitches containing thiazole, isothiazole, thiadiazole, and isothiadiazole","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01573H","","x-ray","0.71073","MoKα","","0.059","0.0463","","","0.1131","0.1183","","","","","","1.03","","","","has coordinates","295817","2024-11-07","01:51:23",""
"7160217","18.2855","0.0012","4.9987","0.0003","11.3283","0.0007","90","","95.829","0.006","90","","1030.1","0.11","292.95","0.1","292.95","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 N4 S2 -","- C8 H8 N4 S2 -","- C32 H32 N16 S8 -","4","1","","Cheruthu, Nusaiba Madappuram; Hashim, P. K.; Sahu, Saugata; Takahashi, Kiyonori; Nakamura, Takayoshi; Mitomo, Hideyuki; Ijiro, Kuniharu; Tamaoki, Nobuyuki","Azophotoswitches containing thiazole, isothiazole, thiadiazole, and isothiadiazole","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01573H","","x-ray","0.71073","MoKα","","0.081","0.0559","","","0.1542","0.1738","","","","","","1.052","","","","has coordinates","295817","2024-11-07","01:51:23",""
"7160218","9.6163","0.0003","7.9028","0.0002","17.3878","0.0005","90","","103.888","0.001","90","","1282.77","0.06","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H42 O5 -","- C29 H42 O5 -","- C58 H84 O10 -","2","1","","Chen, Shushuai; Zheng, Chengyu; Yang, Guan-Zhou; Zhou, Jun-Su; He, Shijun; Fan, Yao Yue; Yue, Jian-Min","Highly oxygenated Steroids with Immunosuppressive activity from Solanum undatum","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01642D","","","1.54178","CuKα","","0.0314","0.0309","","","0.0817","0.0822","","","","","","1.053","","","","has coordinates","295818","2024-11-07","01:51:51",""
"7160219","10.94","0.005","16.898","0.008","14.59","0.008","90","","104.697","0.014","90","","2609","2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 F4 N2 O2 -","- C33 H24 F4 N2 O2 -","- C132 H96 F16 N8 O8 -","4","1","","Undamatla, Suribabu; Naveen Kumar, Muniganti; Mahesh, Shivunapuram; Nanubolu, Jagadeesh Babu; Maddi, Sridhar Reddy","Pd-Catalyzed ortho-/meta-C-H-annulation of biphenyl amines with enynes through non-rollover cyclometallation","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01689K","","","0.71073","MoKα","","0.1408","0.0514","","","0.1058","0.1412","","","","","","1.004","","","","has coordinates,has disorder","295828","2024-11-08","01:41:39",""
"7160220","15.2367","0.0005","15.2367","0.0005","18.0166","0.0005","90","","90","","120","","3622.3","0.2","93","2","93","2","","","","","","","","4","P 32","P 32","145","","","","- C20 H18 N2 O -","- C20 H18 N2 O -","- C180 H162 N18 O9 -","9","3","","Dolas, Atul Jankiram; Yadav, Jyothi; Nagare, Yadav Kacharu; Rangan, Krishnan; Iype, Eldhose; Kumar, Indresh","Enantioselective synthesis of -(3-pyrrolyl)methanamines with aza-tetrasubstituted center under metal-free conditions","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01729C","","x-ray","1.54184","CuKα","","0.0776","0.067","","","0.1747","0.1859","","","","","","1.043","","","","has coordinates","295829","2024-11-08","01:42:08",""
"7160221","9.0312","0.0002","16.1924","0.0003","9.2203","0.0002","90","","97.644","0.002","90","","1336.37","0.05","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N2 O3 S -","- C13 H14 N2 O3 S -","- C52 H56 N8 O12 S4 -","4","1","","Dolas, Atul Jankiram; Yadav, Jyothi; Nagare, Yadav Kacharu; Rangan, Krishnan; Iype, Eldhose; Kumar, Indresh","Enantioselective synthesis of -(3-pyrrolyl)methanamines with aza-tetrasubstituted center under metal-free conditions","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01729C","","x-ray","1.54184","CuKα","","0.044","0.0404","","","0.1101","0.1129","","","","","","1.086","","","","has coordinates","295829","2024-11-08","01:42:10",""
"7160222","19.9908","0.0008","15.7652","0.0005","5.8187","0.0002","90","","90","","90","","1833.82","0.11","100","","100","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C25 H22 N2 O -","- C25 H22 N2 O -","- C100 H88 N8 O4 -","4","1","","Dolas, Atul Jankiram; Yadav, Jyothi; Nagare, Yadav Kacharu; Rangan, Krishnan; Iype, Eldhose; Kumar, Indresh","Enantioselective synthesis of -(3-pyrrolyl)methanamines with aza-tetrasubstituted center under metal-free conditions","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01729C","","x-ray","0.71073","MoKα","","0.0452","0.0382","","","0.0828","0.086","","","","","","1.094","","","","has coordinates","295829","2024-11-08","01:42:10",""
"7160223","29.5567","0.0006","29.5567","0.0006","18.0997","0.0005","90","","90","","120","","13693.5","0.5","93","2","93","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C36 H30 N6 O6 -","- C36 H30 N6 O6 -","- C648 H540 N108 O108 -","18","1","","Koike, Daiki; Masu, Hyuma; Kikkawa, Shoko; Chiba, Ayako; Kamohara, Kaho; Okuda, Arisa; Hikawa, Hidemasa; Azumaya, Isao","Chiral spherical aromatic amides: one-step synthesis and their stereochemical/chiroptical properties","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01458H","","","0.71073","MoKα","","0.2395","0.0931","","","0.1965","0.2615","","","","","","1.03","","","","has coordinates,has disorder","295830","2024-11-08","01:42:50",""
"7160224","18.4033","0.0005","9.78786","0.00018","21.6095","0.0007","90","","113.206","0.003","90","","3577.57","0.18","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 N6 O6 -","- C42 H42 N6 O6 -","- C168 H168 N24 O24 -","4","1","","Koike, Daiki; Masu, Hyuma; Kikkawa, Shoko; Chiba, Ayako; Kamohara, Kaho; Okuda, Arisa; Hikawa, Hidemasa; Azumaya, Isao","Chiral spherical aromatic amides: one-step synthesis and their stereochemical/chiroptical properties","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01458H","","","1.54187","CuKα","","0.0777","0.0645","","","0.1982","0.2131","","","","","","1.097","","","","has coordinates","295830","2024-11-08","01:42:53",""
"7160225","13.6647","0.0004","17.8621","0.0005","7.4013","0.0002","90","","97.814","0.001","90","","1789.74","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N O2 S -","- C19 H23 N O2 S -","- C76 H92 N4 O8 S4 -","4","1","","Dupud, Raju; Merugu, Karthik Kumar; R, Remyachand; Ramesh, Remya","Synthesis of benzosultams via Ag(I)-catalyzed alkylative cyclization of vinyl sulfonamides","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01583E","","","0.71073","MoKα","","0.1208","0.0771","","","0.1711","0.1943","","","","","","1.09","","","","has coordinates,has disorder","295848","2024-11-09","01:31:19",""
"7160226","14.36","0.0004","9.528","0.0003","28.4766","0.0008","90","","90","","90","","3896.2","0.2","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H22 N2 O2 S -","- C20 H22 N2 O2 S -","- C160 H176 N16 O16 S8 -","8","1","","Dupud, Raju; Merugu, Karthik Kumar; R, Remyachand; Ramesh, Remya","Synthesis of benzosultams via Ag(I)-catalyzed alkylative cyclization of vinyl sulfonamides","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01583E","","","0.71073","MoKα","","0.1359","0.0689","","","0.2042","0.2536","","","","","","1.052","","","","has coordinates,has disorder","295848","2024-11-09","01:31:19",""
"7160227","5.4212","0.0011","12.849","0.003","15.183","0.003","82.858","0.008","81.299","0.008","87.732","0.009","1037.1","0.4","175.29","","175.29","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H20 Cl N3 O S -","- C23 H20 Cl N3 O S -","- C46 H40 Cl2 N6 O2 S2 -","2","1","","Panja, Sayanwita; Dhurey, Arun; Pramanik, Animesh","Synthesis of diarylsulphide/diarylselenide embedded pyrazole-fused isocoumarins and isatin/ninhydrin hydrazones via acid catalyzed solvent and temperature controlled reactions","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01422G","","","0.71073","MoKα","","0.073","0.0597","","","0.1629","0.1782","","","","","","1.056","","","","has coordinates","295876","2024-11-12","01:47:03",""
"7160228","7.882","0.0011","10.6903","0.0015","15.608","0.002","81.608","0.005","82.326","0.005","68.92","0.005","1209.3","0.3","298.95","","298.95","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 N2 O3 S -","- C30 H22 N2 O3 S -","- C60 H44 N4 O6 S2 -","2","1","","Panja, Sayanwita; Dhurey, Arun; Pramanik, Animesh","Synthesis of diarylsulphide/diarylselenide embedded pyrazole-fused isocoumarins and isatin/ninhydrin hydrazones via acid catalyzed solvent and temperature controlled reactions","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01422G","","","0.71073","MoKα","","0.1222","0.0722","","","0.189","0.235","","","","","","1.046","","","","has coordinates","295876","2024-11-12","01:47:04",""
"7160229","13.3534","0.0004","8.1042","0.0002","10.3592","0.0002","90","","91.772","0.001","90","","1120.52","0.05","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N O6 P2 -","- C8 H11 N O6 P2 -","- C32 H44 N4 O24 P8 -","4","1","","Urbanovský, Peter; David, Tomáš; Hlinová, Veronika; Kubicek, Vojtech; Pietzsch, Hans Jurgen; Hermann, Petr","Cross-bridged cyclam derivatives with bis(phosphinate) and phosphinate-phosphonate pendant arms (cb-BPC) as chelators for copper radioisotopes","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01473A","","","0.71073","MoKα","","0.0258","0.0248","","","0.0701","0.0711","","","","","","1.068","","","","has coordinates","295910","2024-11-14","01:41:57",""
"7160230","10.5399","0.0005","11.4428","0.0006","21.6413","0.0009","85.586","0.004","85.395","0.004","69.91","0.004","2439.9","0.2","123.15","","123.15","","","","","","","","","8","P -1","-P 1","2","","","","- C49 H48 B2 Cl2 F10 N3 O2 P -","- C49 H48 B2 Cl2 F10 N3 O2 P -","- C98 H96 B4 Cl4 F20 N6 O4 P2 -","2","1","","Nagai, Shun; Ogoshi, Sensuke; Hoshimoto, Yoichi","Transformation of CO<sub>2</sub> and isocyanates mediated by <i>N</i>-borane-substituted cyclic phosphine imides (BCPIs) <i>via</i> λ<sup>5</sup>-oxazaphosphetanes.","Organic & biomolecular chemistry","2024","","","","","10.1039/d4ob01565g","","x-ray","1.54184","CuKα","","0.1174","0.0721","","","0.1647","0.1892","","","","","","1.025","","","","has coordinates,has disorder","295911","2024-11-14","01:42:57",""
"7160231","9.9059","0.0001","19.1588","0.0002","23.634","0.0002","90","","93.518","0.001","90","","4476.93","0.08","193.15","","193.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H54 B Cl4 N4 O P -","- C44 H54 B Cl4 N4 O P -","- C176 H216 B4 Cl16 N16 O4 P4 -","4","1","","Nagai, Shun; Ogoshi, Sensuke; Hoshimoto, Yoichi","Transformation of CO<sub>2</sub> and isocyanates mediated by <i>N</i>-borane-substituted cyclic phosphine imides (BCPIs) <i>via</i> λ<sup>5</sup>-oxazaphosphetanes.","Organic & biomolecular chemistry","2024","","","","","10.1039/d4ob01565g","","x-ray","1.54184","CuKα","","0.0591","0.0548","","","0.1503","0.1545","","","","","","1.048","","","","has coordinates","295911","2024-11-14","01:43:12",""
"7160232","9.9881","0.0003","13.2977","0.0005","15.5488","0.0006","102.478","0.003","94.349","0.003","100.379","0.003","1969.19","0.13","193.15","","193.15","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H50 B N4 O P -","- C42 H50 B N4 O P -","- C84 H100 B2 N8 O2 P2 -","2","1","","Nagai, Shun; Ogoshi, Sensuke; Hoshimoto, Yoichi","Transformation of CO<sub>2</sub> and isocyanates mediated by <i>N</i>-borane-substituted cyclic phosphine imides (BCPIs) <i>via</i> λ<sup>5</sup>-oxazaphosphetanes.","Organic & biomolecular chemistry","2024","","","","","10.1039/d4ob01565g","","x-ray","1.54184","CuKα","","0.0652","0.05","","","0.116","0.1236","","","","","","1.02","","","","has coordinates","295911","2024-11-14","01:43:14",""
"7160233","12.6693","0.0003","19.5252","0.0003","16.0002","0.0004","90","","107.512","0.002","90","","3774.54","0.15","173.15","","173.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H47 B Cl2 N3 O2 P -","- C37 H47 B Cl2 N3 O2 P -","- C148 H188 B4 Cl8 N12 O8 P4 -","4","1","","Nagai, Shun; Ogoshi, Sensuke; Hoshimoto, Yoichi","Transformation of CO<sub>2</sub> and isocyanates mediated by <i>N</i>-borane-substituted cyclic phosphine imides (BCPIs) <i>via</i> λ<sup>5</sup>-oxazaphosphetanes.","Organic & biomolecular chemistry","2024","","","","","10.1039/d4ob01565g","","x-ray","1.54184","CuKα","","0.0847","0.0716","","","0.1888","0.1998","","","","","","1.032","","","","has coordinates","295911","2024-11-14","01:43:23",""
"7160234","9.24486","0.00014","19.6073","0.0003","24.3636","0.0004","90","","93.1494","0.0014","90","","4409.64","0.12","123.15","","123.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C44 H54 B Cl2 N4 O3 P S -","- C44 H54 B Cl2 N4 O3 P S -","- C176 H216 B4 Cl8 N16 O12 P4 S4 -","4","1","","Nagai, Shun; Ogoshi, Sensuke; Hoshimoto, Yoichi","Transformation of CO<sub>2</sub> and isocyanates mediated by <i>N</i>-borane-substituted cyclic phosphine imides (BCPIs) <i>via</i> λ<sup>5</sup>-oxazaphosphetanes.","Organic & biomolecular chemistry","2024","","","","","10.1039/d4ob01565g","","x-ray","1.54184","CuKα","","0.0439","0.0409","","","0.1275","0.1318","","","","","","1.093","","","","has coordinates","295911","2024-11-14","01:43:25",""
"7160235","12.7952","0.0003","19.5207","0.0004","20.9941","0.0004","90","","95.16","0.002","90","","5222.47","0.19","123.15","","123.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H70 B2 N4 O2 -","- C62 H70 B2 N4 O2 -","- C248 H280 B8 N16 O8 -","4","1","","Nagai, Shun; Ogoshi, Sensuke; Hoshimoto, Yoichi","Transformation of CO<sub>2</sub> and isocyanates mediated by <i>N</i>-borane-substituted cyclic phosphine imides (BCPIs) <i>via</i> λ<sup>5</sup>-oxazaphosphetanes.","Organic & biomolecular chemistry","2024","","","","","10.1039/d4ob01565g","","x-ray","1.54184","CuKα","","0.0865","0.0793","","","0.2191","0.2258","","","","","","1.019","","","","has coordinates,has disorder","295911","2024-11-14","01:43:30",""
"7160236","8.0184","0.0009","9.0834","0.0007","12.9502","0.0012","87.358","0.004","77.624","0.006","87.173","0.005","919.57","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H36 Cl2 O2 -","- C49 H36 Cl2 O2 -","- C49 H36 Cl2 O2 -","1","0.5","","Granhøj, Jeppe; Pedersen, Viktor Bliksted Roug; Mikkelsen, Kurt V.; Nielsen, Mogens Brøndsted","Extended tetrathiafulvalene with a pentaleno[1,2-<i>b</i>:4,5-<i>b</i>']difluorene core - a donor-acceptor multi-redox system.","Organic & biomolecular chemistry","2024","22","47","9259","9265","10.1039/d4ob01755b","","x-ray","0.71073","MoKα","","0.0665","0.0434","","","0.1012","0.1176","","","","","","1.008","","","","has coordinates,has disorder","296694","2024-12-06","20:38:37",""
"7160237","22.963","0.002","16.761","0.0013","26.077","0.003","90","","96.82","","90","","9965.6","1.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C78 H86 S8 -","- C78 H86 S8 -","- C468 H516 S48 -","6","1.5","","Granhøj, Jeppe; Pedersen, Viktor Bliksted Roug; Mikkelsen, Kurt V.; Nielsen, Mogens Brøndsted","Extended tetrathiafulvalene with a pentaleno[1,2-<i>b</i>:4,5-<i>b</i>']difluorene core - a donor-acceptor multi-redox system.","Organic & biomolecular chemistry","2024","22","47","9259","9265","10.1039/d4ob01755b","","x-ray","0.71073","MoKα","","0.1009","0.055","","","0.1291","0.1586","","","","","","1.008","","","","has coordinates,has disorder","296694","2024-12-06","20:38:37",""
"7160238","5.2116","0.0002","7.7885","0.0003","16.4336","0.0007","97.903","0.002","98.647","0.002","97.738","0.002","644.93","0.05","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 F5 N3 O2 -","- C12 H8 F5 N3 O2 -","- C24 H16 F10 N6 O4 -","2","1","","Saravanakumar, Srinivasan Pon; Nagasundaram, Nagarajan; DhineshKumar, Jayaraman; Rajalakshmi, Periyaswamy; Lalitha, Appaswami","TFAA mediated one-pot synthesis of chiral <i>N</i>-protected amino acid-derived 1,2,4-oxadiazoles and their antibacterial studies.","Organic & biomolecular chemistry","2024","","","","","10.1039/d4ob01509f","","","1.54178","CuKα","","0.0833","0.0731","","","0.2152","0.2304","","","","","","1.081","","","","has coordinates","295991","2024-11-19","01:46:03",""
"7160239","10.54497","0.00006","7.19449","0.00004","18.5694","0.00011","90","","100.39","0.0006","90","","1385.68","0.014","99.98","0.1","99.98","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 Br N2 O2 -","- C14 H17 Br N2 O2 -","- C56 H68 Br4 N8 O8 -","4","1","","Bakuleva, Nadezhda A.; Lichitskii, Boris V.; Komogortsev, Andrey N.; Tretyakov, Evgeny V.","The study of the photochemical behavior of 5-aryl-2,3-dihydropyrazine 1,4-dioxides.","Organic & biomolecular chemistry","2024","","","","","10.1039/d4ob01570c","","x-ray","1.54184","CuKα","","0.0272","0.027","","","0.0695","0.0696","","","","","","1.099","","","","has coordinates","296036","2024-11-21","01:53:25",""
"7160240","9.5847","0.0001","11.1855","0.0001","13.067","0.0001","90","","102.183","0.001","90","","1369.36","0.02","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 Cl N2 O2 -","- C14 H17 Cl N2 O2 -","- C56 H68 Cl4 N8 O8 -","4","1","","Bakuleva, Nadezhda A.; Lichitskii, Boris V.; Komogortsev, Andrey N.; Tretyakov, Evgeny V.","The study of the photochemical behavior of 5-aryl-2,3-dihydropyrazine 1,4-dioxides.","Organic & biomolecular chemistry","2024","","","","","10.1039/d4ob01570c","","x-ray","1.54184","CuKα","","0.0313","0.0311","","","0.081","0.0812","","","","","","1.055","","","","has coordinates","296036","2024-11-21","01:53:26",""
"7160241","10.769","0.0001","12.767","0.0002","22.6802","0.0003","90","","90","","90","","3118.25","0.07","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H22 N2 O4 -","- C16 H22 N2 O4 -","- C128 H176 N16 O32 -","8","1","","Bakuleva, Nadezhda A.; Lichitskii, Boris V.; Komogortsev, Andrey N.; Tretyakov, Evgeny V.","The study of the photochemical behavior of 5-aryl-2,3-dihydropyrazine 1,4-dioxides.","Organic & biomolecular chemistry","2024","","","","","10.1039/d4ob01570c","","x-ray","1.54184","CuKα","","0.0375","0.0347","","","0.092","0.0939","","","","","","1.081","","","","has coordinates","296036","2024-11-21","01:53:26",""
"7160242","12.47732","0.00007","10.4372","0.00005","11.94409","0.00006","90","","114.585","0.0006","90","","1414.45","0.014","99.97","0.16","99.97","0.16","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 Br N2 O -","- C14 H17 Br N2 O -","- C56 H68 Br4 N8 O4 -","4","1","","Bakuleva, Nadezhda A.; Lichitskii, Boris V.; Komogortsev, Andrey N.; Tretyakov, Evgeny V.","The study of the photochemical behavior of 5-aryl-2,3-dihydropyrazine 1,4-dioxides.","Organic & biomolecular chemistry","2024","","","","","10.1039/d4ob01570c","","x-ray","1.54184","CuKα","","0.0255","0.0255","","","0.0609","0.061","","","","","","1.07","","","","has coordinates,has disorder","296036","2024-11-21","01:53:26",""
"7160243","8.2688","0.0003","13.6128","0.0004","21.1249","0.0008","90","","90.787","0.001","90","","2377.63","0.14","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 N2 O5 S -","- C27 H26 N2 O5 S -","- C108 H104 N8 O20 S4 -","4","1","","Chen, Xue; Fang, Shi-Jie; Zhou, Quan; Huang, Wei; Liu, Qiu-Lan; Wang, Lei","Cu(II)-catalyzed synthesis of <i>N</i>-sulfonated quinolin-2(1<i>H</i>)-one-3-carboxamides.","Organic & biomolecular chemistry","2024","22","47","9209","9213","10.1039/d4ob01071j","","","0.71073","MoKα","","0.0421","0.0365","","","0.1065","0.1108","","","","","","1.016","","","","has coordinates","296689","2024-12-06","20:37:43",""
"7160244","20.643","0.006","5.4637","0.0013","28.909","0.006","90","","103.269","0.009","90","","3173.5","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H13 N2 O4 S -","- C17 H13 N2 O4 S -","- C136 H104 N16 O32 S8 -","8","1","","Chen, Xue; Fang, Shi-Jie; Zhou, Quan; Huang, Wei; Liu, Qiu-Lan; Wang, Lei","Cu(II)-catalyzed synthesis of <i>N</i>-sulfonated quinolin-2(1<i>H</i>)-one-3-carboxamides.","Organic & biomolecular chemistry","2024","22","47","9209","9213","10.1039/d4ob01071j","","","0.71073","MoKα","","0.0741","0.0497","","","0.1221","0.1304","","","","","","1.053","","","","has coordinates","296689","2024-12-06","20:37:43",""
"7160245","17.6937","0.0009","4.5126","0.0002","18.7442","0.001","90","","105.041","0.005","90","","1445.35","0.13","300","2","300","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C13 H10 Br F5 N2 -","- C13 H10 Br F5 N2 -","- C52 H40 Br4 F20 N8 -","4","1","","Wang, Ruikang; Jin, Peng; Yang, Gaowang; Fan, Ying; Bai, Zuyu; Huang, Danfeng; Wang, Ke-Hu; Wang, Junjiao; Hu, Yulai","Synthesis of 3,5-bis(fluoroalkyl)pyrazoles/pyrazolines from [3 + 2] cycloaddition of di/trifluoroacetohydrazonoyl bromides and trifluoromethyl-substituted alkenes","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01160K","","","1.54184","CuKα","","0.0764","0.0619","","","0.1805","0.1962","","","","","","1.107","","","","has coordinates,has disorder","296038","2024-11-21","01:54:28",""
"7160246","7.452","0.0004","10.0443","0.0004","11.7716","0.0005","86.89","0.003","73.961","0.004","70.172","0.004","795.85","0.07","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H12 Br F5 N2 -","- C17 H12 Br F5 N2 -","- C34 H24 Br2 F10 N4 -","2","1","","Wang, Ruikang; Jin, Peng; Yang, Gaowang; Fan, Ying; Bai, Zuyu; Huang, Danfeng; Wang, Ke-Hu; Wang, Junjiao; Hu, Yulai","Synthesis of 3,5-bis(fluoroalkyl)pyrazoles/pyrazolines from [3 + 2] cycloaddition of di/trifluoroacetohydrazonoyl bromides and trifluoromethyl-substituted alkenes","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01160K","","x-ray","1.54184","CuKα","","0.0306","0.03","","","0.0748","0.075","","","","","","1.076","","","","has coordinates","296038","2024-11-21","01:54:28",""
"7160247","9.4744","0.0009","16.0747","0.0014","14.7594","0.0011","90","","99.735","0.009","90","","2215.5","0.3","293.15","","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Cl N3 O -","- C26 H22 Cl N3 O -","- C104 H88 Cl4 N12 O4 -","4","1","","Yang, Zi; Luo, Ji; Zhang, Wenbo; Lei, Jieni; Liu, Chaoshui; Li, Yaqian","Rhodium(III)-Catalyzed direct C-H activation of 2-Aryl-3H-indoles: A strategy for 4-heteroaryl pyrazoles synthesis","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01655F","","x-ray","0.71073","MoKα","","0.0873","0.0542","","","0.1094","0.1247","","","","","","1.03","","","","has coordinates","296039","2024-11-21","01:54:42",""
"7160249","16.9636","0.0008","5.4254","0.0002","18.4927","0.0008","90","","108.262","0.002","90","","1616.24","0.12","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C88 H68 N4 O8 -","4","1","","Nitisha, Nitisha; Sahu, Sonali; Parthasarathy, Venkatakrishnan","Pentagon-Embedded N-Doped Coumarinacenes: Tandem Synthesis and Tunable Photophysical Attributes for Biomolecular Probing","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01048E","","","0.71073","MoKα","","0.092","0.069","","","0.182","0.199","","","","","","1.072","","","","has coordinates","296081","2024-11-23","01:42:15",""
"7160250","7.6312","0.0004","9.6106","0.0005","12.8959","0.0008","72.286","0.003","81.389","0.003","88.455","0.003","890.62","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H17 N O2 -","- C26 H17 N O2 -","- C52 H34 N2 O4 -","2","1","","Nitisha, Nitisha; Sahu, Sonali; Parthasarathy, Venkatakrishnan","Pentagon-Embedded N-Doped Coumarinacenes: Tandem Synthesis and Tunable Photophysical Attributes for Biomolecular Probing","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01048E","","","0.71073","MoKα","","0.0533","0.0379","","","0.0905","0.102","","","","","","1.026","","","","has coordinates","296081","2024-11-23","01:42:26",""
"7160251","7.7256","0.0004","9.6168","0.0006","11.7022","0.0007","66.39","0.002","77.927","0.002","83.497","0.002","778.6","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C40 H34 N2 O4 -","2","1","","Nitisha, Nitisha; Sahu, Sonali; Parthasarathy, Venkatakrishnan","Pentagon-Embedded N-Doped Coumarinacenes: Tandem Synthesis and Tunable Photophysical Attributes for Biomolecular Probing","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01048E","","","0.71073","MoKα","","0.0957","0.0665","","","0.1763","0.2102","","","","","","1.035","","","","has coordinates","296081","2024-11-23","01:42:28",""
"7160252","16.731","0.0003","17.9089","0.0004","19.0611","0.0003","106.666","0.0017","102.981","0.0016","114.312","0.002","4586","0.2","149.99","0.1","149.99","0.1","","","","","","","","7","P -1","-P 1","2","4-AuCl","4-AuCl","","- C48 H59 Au Cl O6 P S2 -","- C48 H59 Au Cl O6 P S2 -","- C192 H236 Au4 Cl4 O24 P4 S8 -","4","2","","Feng, Lijun; Hua, Xinqiang; Shang, Jihai; Shao, Xiangfeng","Coordination Complexes of PIII-Doped Hetero-buckybowls and Their Applications in Catalysis","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01737D","","x-ray","1.54184","CuKα","","0.0486","0.0397","","","0.1031","0.1087","","","","","","1.063","","","","has coordinates,has disorder","296082","2024-11-23","01:49:34",""
"7160253","15.002","0.0004","17.4424","0.0004","17.9639","0.0005","94.148","0.002","96.151","0.002","90.06","0.002","4661.1","0.2","150","","150","","","","","","","","","7","P -1","-P 1","2","6-PdCl2","6-PdCl2","","- C96 H118 Cl2 O12 P2 Pd Te4 -","- C96 H118 Cl2 O12 P2 Pd Te4 -","- C192 H236 Cl4 O24 P4 Pd2 Te8 -","2","1","","Feng, Lijun; Hua, Xinqiang; Shang, Jihai; Shao, Xiangfeng","Coordination Complexes of PIII-Doped Hetero-buckybowls and Their Applications in Catalysis","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01737D","","","1.54184","CuKα","","0.1016","0.0826","","","0.2194","0.2398","","","","","","1.047","","","","has coordinates,has disorder","296082","2024-11-23","01:49:35",""
"7160254","16.26452","0.00015","16.53506","0.00016","19.14664","0.00018","83.1891","0.0008","65.449","0.0009","88.1601","0.0008","4649.78","0.08","129.99","0.1","129.99","0.1","","","","","","","","7","P -1","-P 1","2","6-PtCl2","6-PtCl2","","- C96 H118 Cl2 O12 P2 Pt Te4 -","- C96 H118 Cl2 O12 P2 Pt Te4 -","- C192 H236 Cl4 O24 P4 Pt2 Te8 -","2","1","","Feng, Lijun; Hua, Xinqiang; Shang, Jihai; Shao, Xiangfeng","Coordination Complexes of PIII-Doped Hetero-buckybowls and Their Applications in Catalysis","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01737D","","x-ray","1.54184","CuKα","","0.0554","0.0534","","","0.1441","0.1465","","","","","","1.018","","","","has coordinates,has disorder","296082","2024-11-23","01:49:35",""
"7160255","9.95628","0.00004","33.13649","0.00019","29.23546","0.00013","90","","90.7583","0.0004","90","","9644.41","0.08","149.99","0.11","149.99","0.11","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","6-AuCl","6-AuCl","","- C48 H59 Au Cl O6 P Te2 -","- C48 H59 Au Cl O6 P Te2 -","- C384 H472 Au8 Cl8 O48 P8 Te16 -","8","2","","Feng, Lijun; Hua, Xinqiang; Shang, Jihai; Shao, Xiangfeng","Coordination Complexes of PIII-Doped Hetero-buckybowls and Their Applications in Catalysis","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01737D","","x-ray","1.54184","CuKα","","0.0486","0.0434","","","0.1102","0.1132","","","","","","1.057","","","","has coordinates,has disorder","296082","2024-11-23","01:49:35",""
"7160256","17.3656","0.0002","22.3745","0.0002","24.2121","0.0002","89.68","0.001","78.879","0.001","86.794","0.001","9216.3","0.16","150.1","0.3","150.1","0.3","","","","","","","","8","P -1","-P 1","2","5-PdCl2","5-PdCl2","","- C194 H239 Cl4 N O24 P4 Pd2 Se8 -","- C194 H239 Cl4 N O24 P4 Pd2 Se8 -","- C388 H478 Cl8 N2 O48 P8 Pd4 Se16 -","2","1","","Feng, Lijun; Hua, Xinqiang; Shang, Jihai; Shao, Xiangfeng","Coordination Complexes of PIII-Doped Hetero-buckybowls and Their Applications in Catalysis","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01737D","","x-ray","1.54184","CuKα","","0.0752","0.0703","","","0.1922","0.1966","","","","","","1.033","","","","has coordinates","296082","2024-11-23","01:49:36",""
"7160257","16.9381","0.0002","20.3995","0.0002","29.6262","0.0003","100.168","0.001","103.367","0.001","95.809","0.001","9694.55","0.19","149.99","0.1","149.99","0.1","","","","","","","","8","P -1","-P 1","2","4-PdCl2","4-PdCl2","","- C98 H121 Cl4 N O12 P2 Pd2 S4 -","- C98 H121 Cl4 N O12 P2 Pd2 S4 -","- C392 H484 Cl16 N4 O48 P8 Pd8 S16 -","4","2","","Feng, Lijun; Hua, Xinqiang; Shang, Jihai; Shao, Xiangfeng","Coordination Complexes of PIII-Doped Hetero-buckybowls and Their Applications in Catalysis","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01737D","","x-ray","1.54184","CuKα","","0.1086","0.0969","","","0.2363","0.2413","","","","","","1.097","","","","has coordinates,has disorder","296082","2024-11-23","01:49:36",""
"7160258","17.4708","0.0003","22.2672","0.0004","24.0276","0.0004","89.5107","0.0013","79.0226","0.0014","86.6647","0.0015","9160.7","0.3","149.99","0.1","149.99","0.1","","","","","","","","8","P -1","-P 1","2","4-PtCl2","4-PtCl2","","- C96.5 H119 Cl2 N0.5 O12.5 P2 Pt S4 -","- C96.5 H119 Cl2 N0.5 O12.5 P2 Pt S4 -","- C386 H476 Cl8 N2 O50 P8 Pt4 S16 -","4","2","","Feng, Lijun; Hua, Xinqiang; Shang, Jihai; Shao, Xiangfeng","Coordination Complexes of PIII-Doped Hetero-buckybowls and Their Applications in Catalysis","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01737D","","x-ray","1.54184","CuKα","","0.0766","0.0575","","","0.1414","0.1514","","","","","","1.019","","","","has coordinates,has disorder","296082","2024-11-23","01:49:36",""
"7160259","28.00533","0.00019","38.3306","0.0003","17.81397","0.00012","90","","91.8893","0.0006","90","","19112.2","0.2","149.99","0.1","149.99","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","5-AuCl","5-AuCl","","- C48.5 H59.75 Au Cl N0.25 O6 P Se2 -","- C48.5 H59.75 Au Cl N0.25 O6 P Se2 -","- C776 H956 Au16 Cl16 N4 O96 P16 Se32 -","16","4","","Feng, Lijun; Hua, Xinqiang; Shang, Jihai; Shao, Xiangfeng","Coordination Complexes of PIII-Doped Hetero-buckybowls and Their Applications in Catalysis","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01737D","","x-ray","1.54184","CuKα","","0.0939","0.0801","","","0.2264","0.2391","","","","","","1.04","","","","has coordinates","296082","2024-11-23","01:49:36",""
"7160260","17.1838","0.0002","22.637","0.0003","24.0907","0.0002","89.8577","0.0009","78.6933","0.001","86.8545","0.0011","9174.99","0.18","149.96","0.13","149.96","0.13","","","","","","","","8","P -1","-P 1","2","5-PtCl2","5-PtCl2","","- C97 H119.5 Cl2 N0.5 O12 P2 Pt Se4 -","- C97 H119.5 Cl2 N0.5 O12 P2 Pt Se4 -","- C388 H478 Cl8 N2 O48 P8 Pt4 Se16 -","4","2","","Feng, Lijun; Hua, Xinqiang; Shang, Jihai; Shao, Xiangfeng","Coordination Complexes of PIII-Doped Hetero-buckybowls and Their Applications in Catalysis","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB01737D","","x-ray","1.54184","CuKα","","0.0663","0.0636","","","0.181","0.1836","","","","","","1.035","","","","has coordinates","296082","2024-11-23","01:49:36",""
"7160279","22.0346","0.001","9.1005","0.0004","14.6912","0.0006","90","","118.865","0.001","90","","2580","0.2","101","2","101","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12.5 H14.5 Cl N2.5 Ni0.5 -","- C12.5 H14.5 Cl N2.5 Ni0.5 -","- C100 H116 Cl8 N20 Ni4 -","8","1","","Kukreti, Prashant; Chauhan, Rahul; Panwar, Abhishek; Ghosh, Kaushik","A multi-component synthetic route for 2-pyrazolines <i>via</i> acceptorless dehydrogenation of alcohols using homogeneous Ni(II) catalysts.","Organic & biomolecular chemistry","2024","22","41","8273","8278","10.1039/d4ob01352b","","","0.71073","MoKα","","0.0358","0.0341","","","0.0845","0.0854","","","","","","1.143","","","","has coordinates","296231","2024-12-05","20:09:15",""
"7160280","22.7783","0.0011","12.1608","0.0006","26.3729","0.0012","90","","114.322","0.002","90","","6657","0.6","115","2","115","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H27 Cl2 N7 Ni -","- C35 H27 Cl2 N7 Ni -","- C280 H216 Cl16 N56 Ni8 -","8","2","","Kukreti, Prashant; Chauhan, Rahul; Panwar, Abhishek; Ghosh, Kaushik","A multi-component synthetic route for 2-pyrazolines <i>via</i> acceptorless dehydrogenation of alcohols using homogeneous Ni(II) catalysts.","Organic & biomolecular chemistry","2024","22","41","8273","8278","10.1039/d4ob01352b","","","0.71073","MoKα","","0.0702","0.0515","","","0.1242","0.1339","","","","","","1.047","","","","has coordinates","296231","2024-12-05","20:09:16",""
"7160281","8.0985","0.0009","10.3014","0.0012","11.0803","0.0012","96.301","0.004","101.547","0.003","101.238","0.004","877.6","0.17","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H15 N S -","- C25 H15 N S -","- C50 H30 N2 S2 -","2","1","","Vardanyan, Arpine; Polkaehn, Jonas; Bauder, Marie-Louis; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Synthesis and properties of thienonaphtho[<i>bc</i>]pyridines and thienonaphtho[<i>bc</i>]quinolines.","Organic & biomolecular chemistry","2024","22","43","8631","8648","10.1039/d4ob01023j","","","0.71073","MoKα","","0.0832","0.0516","","","0.1068","0.1255","","","","","","1.039","","","","has coordinates","296232","2024-12-05","20:10:02",""
"7160282","7.904","0.006","10.247","0.007","11.533","0.008","96.72","0.02","102.06","0.02","99.58","0.02","889.5","1.1","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H15 N S -","- C25 H15 N S -","- C50 H30 N2 S2 -","2","1","","Vardanyan, Arpine; Polkaehn, Jonas; Bauder, Marie-Louis; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Synthesis and properties of thienonaphtho[<i>bc</i>]pyridines and thienonaphtho[<i>bc</i>]quinolines.","Organic & biomolecular chemistry","2024","22","43","8631","8648","10.1039/d4ob01023j","","","0.71073","MoKα","","0.1244","0.0704","","","0.1219","0.1397","","","","","","1.011","","","","has coordinates","296232","2024-12-05","20:10:03",""
"7160283","8.0321","0.0004","10.356","0.0005","13.1722","0.0006","105.953","0.002","95.907","0.002","108.672","0.002","975.86","0.08","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H17 N S -","- C29 H17 N S -","- C58 H34 N2 S2 -","2","1","","Vardanyan, Arpine; Polkaehn, Jonas; Bauder, Marie-Louis; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Synthesis and properties of thienonaphtho[<i>bc</i>]pyridines and thienonaphtho[<i>bc</i>]quinolines.","Organic & biomolecular chemistry","2024","22","43","8631","8648","10.1039/d4ob01023j","","","0.71073","MoKα","","0.0556","0.0407","","","0.1057","0.1168","","","","","","1.052","","","","has coordinates,has disorder","296232","2024-12-05","20:10:03",""
"7160284","7.6587","0.0006","12.8138","0.001","13.2244","0.001","90","","101.196","0.001","90","","1273.1","0.17","173.15","","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O S Se -","- C14 H11 N O S Se -","- C56 H44 N4 O4 S4 Se4 -","4","1","","Doig, Adrian I.; Sands, Kai N.; Boongaling, Bienca; Zhou, Wen; Back, Thomas G.","Synthesis, antioxidant and structural properties of modified ebselen derivatives and conjugates.","Organic & biomolecular chemistry","2024","22","45","8881","8897","10.1039/d4ob01400f","","","0.71073","MoKα","","0.0559","0.0368","","","0.0756","0.0819","","","","","","1.03","","","","has coordinates","296233","2024-12-05","20:12:42",""
"7160285","13.117","0.0005","16.3872","0.0007","16.8435","0.0007","90.472","0.001","90.455","0.001","103.381","0.001","3521.9","0.2","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H33.8 N2 O2.4 P Se -","- C44 H33.8 N2 O2.4 P Se -","- C176 H135.2 N8 O9.6 P4 Se4 -","4","2","","Doig, Adrian I.; Sands, Kai N.; Boongaling, Bienca; Zhou, Wen; Back, Thomas G.","Synthesis, antioxidant and structural properties of modified ebselen derivatives and conjugates.","Organic & biomolecular chemistry","2024","22","45","8881","8897","10.1039/d4ob01400f","","","0.71073","MoKα","","0.0703","0.0423","","","0.082","0.0926","","","","","","1.018","","","","has coordinates,has disorder","296233","2024-12-05","20:12:43",""
"7247377","11.3019","0.0004","6.9207","0.0003","16.2735","0.0006","90","","101.713","0.004","90","","1246.36","0.09","299.03","","299.03","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N O4 -","- C14 H13 N O4 -","- C56 H52 N4 O16 -","4","1","","Krishna, Anugam V.; Sanwal, Shyam D.; Rath, Sibani; Lakshmi, P. R.; Ramachary, Dhevalapally B.","Conformation-controlled catalytic asymmetric synthesis of Swaminathan ketones","Green Chemistry","2024","26","2","771","784","10.1039/D3GC02975A","","x-ray","0.71073","MoKα","","0.0909","0.0765","","","0.2144","0.2262","","","","","","1.076","","","","has coordinates","289571","2024-02-04","12:17:26",""
"7247378","8.6941","0.0004","17.9069","0.001","10.1924","0.0005","90","","90","","90","","1586.8","0.14","299","","299","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H22 O3 -","- C18 H22 O3 -","- C72 H88 O12 -","4","1","","Krishna, Anugam V.; Sanwal, Shyam D.; Rath, Sibani; Lakshmi, P. R.; Ramachary, Dhevalapally B.","Conformation-controlled catalytic asymmetric synthesis of Swaminathan ketones","Green Chemistry","2024","26","2","771","784","10.1039/D3GC02975A","","x-ray","0.71073","MoKα","","0.0566","0.0434","","","0.0984","0.1091","","","","","","1.04","","","","has coordinates","289571","2024-02-04","12:17:27",""
"7247379","7.97","0.0005","11.1812","0.0006","7.9888","0.0004","90","","110.788","0.007","90","","665.57","0.07","299","0.2","299","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H18 O3 -","- C16 H18 O3 -","- C32 H36 O6 -","2","1","","Krishna, Anugam V.; Sanwal, Shyam D.; Rath, Sibani; Lakshmi, P. R.; Ramachary, Dhevalapally B.","Conformation-controlled catalytic asymmetric synthesis of Swaminathan ketones","Green Chemistry","2024","26","2","771","784","10.1039/D3GC02975A","","x-ray","0.71073","MoKα","","0.0583","0.0433","","","0.0875","0.0974","","","","","","0.978","","","","has coordinates","289571","2024-02-04","12:17:28",""
"7247380","16.4952","0.0007","5.821","0.0003","14.2222","0.0007","90","","112.011","0.005","90","","1266.06","0.11","293","0.1","293","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C56 H60 N4 O16 -","4","1","","Krishna, Anugam V.; Sanwal, Shyam D.; Rath, Sibani; Lakshmi, P. R.; Ramachary, Dhevalapally B.","Conformation-controlled catalytic asymmetric synthesis of Swaminathan ketones","Green Chemistry","2024","26","2","771","784","10.1039/D3GC02975A","","x-ray","0.71073","MoKα","","0.1008","0.0692","","","0.1831","0.2185","","","","","","1.06","","","","has coordinates","289571","2024-02-04","12:17:28",""
"7247381","7.3138","0.0004","12.607","0.0006","15.9123","0.001","90","","90","","90","","1467.19","0.14","299.2","0.2","299.2","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 O2 -","- C18 H20 O2 -","- C72 H80 O8 -","4","1","","Krishna, Anugam V.; Sanwal, Shyam D.; Rath, Sibani; Lakshmi, P. R.; Ramachary, Dhevalapally B.","Conformation-controlled catalytic asymmetric synthesis of Swaminathan ketones","Green Chemistry","2024","26","2","771","784","10.1039/D3GC02975A","","x-ray","0.71073","MoKα","","0.0518","0.0381","","","0.0938","0.1021","","","","","","1.044","","","","has coordinates","289571","2024-02-04","12:17:28",""
"7247521","7.2763","0.0002","7.6736","0.0003","18.9654","0.0005","83.579","0.002","82.28","0.002","64.68","0.003","946.79","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 O3 S Se -","- C22 H18 O3 S Se -","- C44 H36 O6 S2 Se2 -","2","1","","Xie, Shu-Li; Yan, Jian-Zhong; Xie, Meng-Jun; Li, Xuan; Zhou, Fan; Zheng, Mei-Qiong; Wang, Xue-Lin; Feng, Junhao; Zhang, Yao; Duan, Ya-Nan; Niu, Yong-Dong; Li, Dong; Xia, Hai-Dong","Visible-light-driven graphitic carbon nitride-catalyzed ATRA of alkynes: highly regio- and stereoselective synthesis of (E)-β-functionalized vinylsulfones","Green Chemistry","2024","26","1","323","329","10.1039/D3GC02897F","","x-ray","1.54184","CuKα","","0.0404","0.0389","","","0.1051","0.1061","","","","","","1.076","","","","has coordinates,has disorder","289569","2024-02-04","12:17:09",""
"7247651","4.2102","0.0002","4.2102","0.0002","26.3814","0.0013","90","","90","","120","","404.98","0.03","273","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- As2 Eu In2 -","- As2 Eu In2 -","- As6 Eu3 In6 -","3","0.0833333","","Wu, D. S.; Na, S. H.; Li, Y. J.; Zhou, X. B.; Wu, W.; Song, Y. T.; Zheng, P.; Li, Z.; Luo, J. L.","Single-crystal growth, structure and thermal transport properties of the metallic antiferromagnet Zintl-phase β-EuIn<sub>2</sub>As<sub>2</sub>.","Physical chemistry chemical physics : PCCP","2024","26","11","8695","8703","10.1039/d3cp04524b","","","0.71073","MoKα","","0.0365","0.0365","","","0.0873","0.0873","","","","","","1.255","","","","has coordinates","291067","2024-04-05","00:17:25",""
"7247746","10.5827","0.0006","11.1323","0.0007","12.6983","0.0008","104.061","0.003","113.978","0.003","90.275","0.003","1316.85","0.14","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H48 Mn4 N4 O20 -","- C42 H48 Mn4 N4 O20 -","- C42 H48 Mn4 N4 O20 -","1","0.5","","Kumar, Jayasree; Tarannum, Ibtesham; Zheng, Yan-Zhen; Singh, Saurabh Kumar; Mondal, Kartik Chandra","Assembly of MnIII ions into di-, tetra-, deca-nuclear coordination complexes, zero- to three-dimensional molecular frameworks: molecular spin flop to and short-range bulk magnetic spin flop ordering","CrystEngComm","2024","26","1","80","99","10.1039/D3CE00967J","","","0.71073","MoKα","","0.0874","0.0512","","","0.1236","0.1513","","","","","","0.82","","","","has coordinates","289435","2024-02-04","11:36:18",""
"7247747","7.8214","0.0005","9.9952","0.0006","10.4841","0.0007","94.868","0.002","105.897","0.002","94.543","0.002","780.92","0.09","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 Mn2 N6 O8 -","- C30 H32 Mn2 N6 O8 -","- C30 H32 Mn2 N6 O8 -","1","0.5","","Kumar, Jayasree; Tarannum, Ibtesham; Zheng, Yan-Zhen; Singh, Saurabh Kumar; Mondal, Kartik Chandra","Assembly of MnIII ions into di-, tetra-, deca-nuclear coordination complexes, zero- to three-dimensional molecular frameworks: molecular spin flop to and short-range bulk magnetic spin flop ordering","CrystEngComm","2024","26","1","80","99","10.1039/D3CE00967J","","","0.71073","MoKα","","0.0651","0.0478","","","0.1282","0.1463","","","","","","1.139","","","","has coordinates","289435","2024-02-04","11:36:18",""
"7247748","10.063","0.012","12.143","0.015","15.195","0.017","68.52","0.04","73.73","0.04","71.1","0.06","1607","3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 Mn2 N6 O8 -","- C30 H28 Mn2 N6 O8 -","- C60 H56 Mn4 N12 O16 -","2","1","","Kumar, Jayasree; Tarannum, Ibtesham; Zheng, Yan-Zhen; Singh, Saurabh Kumar; Mondal, Kartik Chandra","Assembly of MnIII ions into di-, tetra-, deca-nuclear coordination complexes, zero- to three-dimensional molecular frameworks: molecular spin flop to and short-range bulk magnetic spin flop ordering","CrystEngComm","2024","26","1","80","99","10.1039/D3CE00967J","","","0.71073","MoKα","","0.1026","0.0684","","","0.1855","0.2105","","","","","","1.068","","","","has coordinates,has disorder","289435","2024-02-04","11:36:19",""
"7247749","9.888","0.004","20.717","0.009","21.011","0.009","71.075","0.007","77.324","0.008","80.532","0.007","3952","3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H60 Mn5 N12 O21 S5 -","- C69 H60 Mn5 N12 O21 S5 -","- C138 H120 Mn10 N24 O42 S10 -","2","1","","Kumar, Jayasree; Tarannum, Ibtesham; Zheng, Yan-Zhen; Singh, Saurabh Kumar; Mondal, Kartik Chandra","Assembly of MnIII ions into di-, tetra-, deca-nuclear coordination complexes, zero- to three-dimensional molecular frameworks: molecular spin flop to and short-range bulk magnetic spin flop ordering","CrystEngComm","2024","26","1","80","99","10.1039/D3CE00967J","","","0.71073","MoKα","","0.1419","0.095","","","0.2551","0.2944","","","","","","1.028","","","","has coordinates,has disorder","289435","2024-02-04","11:36:19",""
"7247754","9.7958","0.0004","7.7989","0.0003","14.7319","0.0006","90","","90","","90","","1125.47","0.08","296","2","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H5 N5 O2 -","- C3 H5 N5 O2 -","- C24 H40 N40 O16 -","8","1","","Zhang, Lingfeng; Wang, Yu; Wang, Yefeng; Liu, Shuai; Zhang, Na; Yang, Mingmin; Ma, Haixia; Guo, Zhaoqi","N-Methylene-C bridged tetrazole and 1,2,4-triazole energetic salts as promising primary explosives","CrystEngComm","2024","26","2","143","152","10.1039/D3CE01051A","","","0.71073","MoKα","","0.08","0.0441","","","0.0918","0.1069","","","","","","1.028","","","","has coordinates","289448","2024-02-04","11:39:15",""
"7247755","4.0899","0.0018","8.238","0.005","20.69","0.011","96.88","0.02","90.38","0.04","95.16","0.03","689.2","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H6 K2 N11 O6 -","- C4 H6 K2 N11 O6 -","- C8 H12 K4 N22 O12 -","2","1","","Zhang, Lingfeng; Wang, Yu; Wang, Yefeng; Liu, Shuai; Zhang, Na; Yang, Mingmin; Ma, Haixia; Guo, Zhaoqi","N-Methylene-C bridged tetrazole and 1,2,4-triazole energetic salts as promising primary explosives","CrystEngComm","2024","26","2","143","152","10.1039/D3CE01051A","","","1.34139","GaKα","","0.0293","0.0281","","","0.0802","0.0811","","","","","","1.075","","","","has coordinates","289448","2024-02-04","11:39:15",""
"7247756","9.0488","0.0014","13.078","0.002","6.7239","0.0012","90","","101.968","0.005","90","","778.4","0.2","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N10 -","- C4 H8 N10 -","- C16 H32 N40 -","4","1","","Zhang, Lingfeng; Wang, Yu; Wang, Yefeng; Liu, Shuai; Zhang, Na; Yang, Mingmin; Ma, Haixia; Guo, Zhaoqi","N-Methylene-C bridged tetrazole and 1,2,4-triazole energetic salts as promising primary explosives","CrystEngComm","2024","26","2","143","152","10.1039/D3CE01051A","","","0.71073","MoKα","","0.0832","0.0678","","","0.1607","0.1707","","","","","","1.093","","","","has coordinates","289448","2024-02-04","11:39:15",""
"7247757","3.8946","0.0011","14.07","0.004","23.813","0.007","90","","92.162","0.009","90","","1304","0.6","180","2","179.97","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H11 N12 O7 -","- C4 H11 N12 O7 -","- C16 H44 N48 O28 -","4","1","","Zhang, Lingfeng; Wang, Yu; Wang, Yefeng; Liu, Shuai; Zhang, Na; Yang, Mingmin; Ma, Haixia; Guo, Zhaoqi","N-Methylene-C bridged tetrazole and 1,2,4-triazole energetic salts as promising primary explosives","CrystEngComm","2024","26","2","143","152","10.1039/D3CE01051A","","","0.71073","MoKα","","0.1721","0.1056","","","0.2375","0.2709","","","","","","1.091","","","","has coordinates","289448","2024-02-04","11:39:15",""
"7247784","6.8883","0.0009","15.522","0.002","16.668","0.002","90","","90","","90","","1782.1","0.4","298","","298","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H16 F3 N O -","- C22 H16 F3 N O -","- C88 H64 F12 N4 O4 -","4","1","","Lamba, Manisha; Singh, Prasoon Raj; Bhatt, Shubham; Goswami, Avijit","Metal- and additive-free TfOH catalyzed chemoselective O- and S-trifluoroethylation of oxindoles, isoindolines and thio-oxindoles","Green Chemistry","2024","26","1","448","455","10.1039/D3GC03702A","","x-ray","0.71073","MoKα","","0.0521","0.0387","","","0.0883","0.0965","","","","","","1.035","","","","has coordinates","289565","2024-02-04","12:16:46",""
"7247785","6.8631","0.0003","16.0474","0.0005","16.9025","0.0006","90","","90","","90","","1861.56","0.12","298","","298","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H15 F4 N S -","- C22 H15 F4 N S -","- C88 H60 F16 N4 S4 -","4","1","","Lamba, Manisha; Singh, Prasoon Raj; Bhatt, Shubham; Goswami, Avijit","Metal- and additive-free TfOH catalyzed chemoselective O- and S-trifluoroethylation of oxindoles, isoindolines and thio-oxindoles","Green Chemistry","2024","26","1","448","455","10.1039/D3GC03702A","","x-ray","0.71073","MoKα","","0.0496","0.0441","","","0.1068","0.1112","","","","","","1.045","","","","has coordinates","289565","2024-02-04","12:16:46",""
"7247786","17.093","0.012","10.057","0.01","6.991","0.004","90","","113.89","0.03","90","","1098.8","1.5","298","","298","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C10 H6 Br F3 N O -","- C10 H6 Br F3 N O -","- C40 H24 Br4 F12 N4 O4 -","4","1","","Lamba, Manisha; Singh, Prasoon Raj; Bhatt, Shubham; Goswami, Avijit","Metal- and additive-free TfOH catalyzed chemoselective O- and S-trifluoroethylation of oxindoles, isoindolines and thio-oxindoles","Green Chemistry","2024","26","1","448","455","10.1039/D3GC03702A","","","0.71073","MoKα","","0.0497","0.0421","","","0.107","0.1132","","","","","","0.986","","","","has coordinates","289565","2024-02-04","12:16:46",""
"7247787","10.0648","0.0008","11.6308","0.0008","13.8611","0.001","68.976","0.002","87.671","0.003","69.921","0.002","1416.21","0.18","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 F3 N O -","- C17 H13 F3 N O -","- C68 H52 F12 N4 O4 -","4","2","","Lamba, Manisha; Singh, Prasoon Raj; Bhatt, Shubham; Goswami, Avijit","Metal- and additive-free TfOH catalyzed chemoselective O- and S-trifluoroethylation of oxindoles, isoindolines and thio-oxindoles","Green Chemistry","2024","26","1","448","455","10.1039/D3GC03702A","","x-ray","0.71073","MoKα","","0.0737","0.0626","","","0.1794","0.1917","","","","","","1.033","","","","has coordinates","295543","2024-10-18","15:17:10",""
"7247788","7.9716","0.0002","10.9315","0.0003","15.7731","0.0004","75.98","0.001","78.693","0.001","81.338","0.001","1299.96","0.06","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 Br F3 N O -","- C28 H26 Br F3 N O -","- C56 H52 Br2 F6 N2 O2 -","2","1","","Lamba, Manisha; Singh, Prasoon Raj; Bhatt, Shubham; Goswami, Avijit","Metal- and additive-free TfOH catalyzed chemoselective O- and S-trifluoroethylation of oxindoles, isoindolines and thio-oxindoles","Green Chemistry","2024","26","1","448","455","10.1039/D3GC03702A","","x-ray","0.71073","MoKα","","0.0766","0.0639","","","0.1626","0.1725","","","","","","1.03","","","","has coordinates","289565","2024-02-04","12:16:46",""
"7247789","7.0705","0.0006","16.8461","0.0016","32.575","0.003","90","","90","","90","","3880","0.6","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H18 F3 N S -","- C23 H18 F3 N S -","- C184 H144 F24 N8 S8 -","8","1","","Lamba, Manisha; Singh, Prasoon Raj; Bhatt, Shubham; Goswami, Avijit","Metal- and additive-free TfOH catalyzed chemoselective O- and S-trifluoroethylation of oxindoles, isoindolines and thio-oxindoles","Green Chemistry","2024","26","1","448","455","10.1039/D3GC03702A","","x-ray","0.71073","MoKα","","0.0553","0.0507","","","0.1272","0.1296","","","","","","1.151","","","","has coordinates","289565","2024-02-04","12:16:46",""
"7247790","8.6333","0.0007","10.6401","0.0007","24.273","0.002","90","","90","","90","","2229.7","0.3","113","2","113.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H12 O2 -","- C15 H12 O2 -","- C120 H96 O16 -","8","1","","Liu, Yumin; Gong, Junbo; Yan, Dongpeng; Wang, Jingkang","Insight into polymorphism in weakly polar systems using favorable connection motifs","CrystEngComm","2024","26","2","153","159","10.1039/D3CE00856H","","x-ray","0.71073","MoKα","","0.069","0.0518","","","0.1125","0.126","","","","","","1.063","","","","has coordinates","289450","2024-02-04","11:39:28",""
"7247791","12.5547","0.0008","11.7675","0.0006","7.7848","0.0006","90","","103.444","0.007","90","","1118.59","0.13","113","2","113.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O2 -","- C15 H12 O2 -","- C60 H48 O8 -","4","1","","Liu, Yumin; Gong, Junbo; Yan, Dongpeng; Wang, Jingkang","Insight into polymorphism in weakly polar systems using favorable connection motifs","CrystEngComm","2024","26","2","153","159","10.1039/D3CE00856H","","x-ray","0.71073","MoKα","","0.0607","0.0474","","","0.1138","0.1232","","","","","","1.044","","","","has coordinates","289450","2024-02-04","11:39:28",""
"7247796","9.366","0.0007","10.5136","0.0008","15.0815","0.0012","107.389","0.003","91.634","0.003","107.736","0.003","1338.12","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H36 Co4 N4 O25 -","- C54 H36 Co4 N4 O25 -","- C54 H36 Co4 N4 O25 -","1","0.5","","Yang, Yuan-Yu; Xue, Jian-Hua; Yang, Dong-Dong; Zhang, Li-Yang; Ma, Qi; Zhao, Xuan","Effects of solvents and metal ions on the synthesis, structural diversity and magnetic properties of the 5′-nitro-[1,1′:3′,1′′-terphenyl]-3,3′′,5,5′′-tetracarboxylic acid ligand and a highly sensitive sensor for Fe3+","CrystEngComm","2024","26","2","170","179","10.1039/D3CE01076G","","","0.71073","MoKα","","0.1134","0.0662","","","0.2087","0.2401","","","","","","1.06","","","","has coordinates","289447","2024-02-04","11:39:07",""
"7247797","18.995","0.004","11.667","0.003","16.273","0.003","90","","113.608","0.007","90","","3304.5","1.3","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H27 N3 O15 Zn2 -","- C32 H27 N3 O15 Zn2 -","- C128 H108 N12 O60 Zn8 -","4","0.5","","Yang, Yuan-Yu; Xue, Jian-Hua; Yang, Dong-Dong; Zhang, Li-Yang; Ma, Qi; Zhao, Xuan","Effects of solvents and metal ions on the synthesis, structural diversity and magnetic properties of the 5′-nitro-[1,1′:3′,1′′-terphenyl]-3,3′′,5,5′′-tetracarboxylic acid ligand and a highly sensitive sensor for Fe3+","CrystEngComm","2024","26","2","170","179","10.1039/D3CE01076G","","","0.71073","MoKα","","0.0868","0.0567","","","0.1479","0.1633","","","","","","0.988","","","","has coordinates","289447","2024-02-04","11:39:07",""
"7247798","19.1756","0.0019","11.7383","0.0012","15.5273","0.0014","90","","111.057","0.003","90","","3261.6","0.6","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H27 Co2 N3 O15 -","- C32 H27 Co2 N3 O15 -","- C128 H108 Co8 N12 O60 -","4","0.5","","Yang, Yuan-Yu; Xue, Jian-Hua; Yang, Dong-Dong; Zhang, Li-Yang; Ma, Qi; Zhao, Xuan","Effects of solvents and metal ions on the synthesis, structural diversity and magnetic properties of the 5′-nitro-[1,1′:3′,1′′-terphenyl]-3,3′′,5,5′′-tetracarboxylic acid ligand and a highly sensitive sensor for Fe3+","CrystEngComm","2024","26","2","170","179","10.1039/D3CE01076G","","","0.71073","MoKα","","0.0887","0.0545","","","0.1353","0.1508","","","","","","1.05","","","","has coordinates","289447","2024-02-04","11:39:07",""
"7247799","19.5933","0.001","22.7256","0.0012","52.888","0.003","90","","90","","90","","23549","2","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C52 H59 N7 Ni2 O23 -","- C52 H37 N7 Ni2 O12 -","- C832 H592 N112 Ni32 O192 -","16","0.5","","Yang, Yuan-Yu; Xue, Jian-Hua; Yang, Dong-Dong; Zhang, Li-Yang; Ma, Qi; Zhao, Xuan","Effects of solvents and metal ions on the synthesis, structural diversity and magnetic properties of the 5′-nitro-[1,1′:3′,1′′-terphenyl]-3,3′′,5,5′′-tetracarboxylic acid ligand and a highly sensitive sensor for Fe3+","CrystEngComm","2024","26","2","170","179","10.1039/D3CE01076G","","","0.71073","MoKα","","0.0492","0.0384","","","0.0843","0.0897","","","","","","1.078","","","","has coordinates","289447","2024-02-04","11:39:07",""
"7247803","7.564","0.0002","21.9862","0.0006","17.8275","0.0004","90","","90","","90","","2964.78","0.13","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C4 H16 Bi Cl5 N2 -","- C4 H15 Bi Cl5 N2 -","- C32 H120 Bi8 Cl40 N16 -","8","0.5","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","x-ray","0.71073","MoKα","","0.0416","0.03","","","0.0719","0.0751","","","","","","1.02","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247804","7.6954","0.0002","22.2151","0.0008","17.9473","0.0005","90","","90","","90","","3068.16","0.16","293","2","293","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C4 H16 Bi Br2.27 Cl2.73 N2 -","- C4 H15 Bi Br2.259 Cl2.741 N2 -","- C32 H120 Bi8 Br18.072 Cl21.928 N16 -","8","0.5","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","x-ray","0.71073","MoKα","","0.0796","0.0438","","","0.0848","0.0924","","","","","","1.032","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247805","7.767","0.0003","22.3242","0.0008","18.0376","0.0006","90","","90","","90","","3127.58","0.19","293","2","293","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C4 H16 Bi Br3.13 Cl1.87 N2 -","- C4 H15 Bi Br3.125 Cl1.875 N2 -","- C32 H120 Bi8 Br25 Cl15 N16 -","8","0.5","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","","0.71073","MoKα","","0.0506","0.0339","","","0.0622","0.066","","","","","","1.026","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247806","7.894","0.0002","22.4137","0.0007","18.2284","0.0006","90","","90","","90","","3225.22","0.17","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C4 H16 Bi Br5 N2 -","- C4 H15 Bi Br5 N2 -","- C32 H120 Bi8 Br40 N16 -","8","0.5","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","x-ray","0.71073","MoKα","","0.098","0.0521","","","0.0843","0.0933","","","","","","1.016","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247807","7.6366","0.0002","22.1176","0.0008","17.8909","0.0005","90","","90","","90","","3021.83","0.16","293","2","293","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C4 H16 Bi Br1.18 Cl3.82 N2 -","- C4 H15 Bi Br1.187 Cl3.813 N2 -","- C32 H120 Bi8 Br9.496 Cl30.504 N16 -","8","0.5","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","x-ray","0.71073","MoKα","","0.0627","0.0351","","","0.0668","0.0719","","","","","","0.975","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247808","18.2458","0.0005","22.4324","0.0007","7.8919","0.0002","90","","90","","90","","3230.13","0.16","90","2","90","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C4 H16 Bi Br5 N2 -","- C4 H16 Bi Br5 N2 -","- C32 H128 Bi8 Br40 N16 -","8","1","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","x-ray","0.71073","MoKα","","0.0582","0.0381","","","0.0913","0.0993","","","","","","1.057","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247809","17.5689","0.0007","21.6639","0.0009","7.487","0.0003","90","","90","","90","","2849.6","0.2","90","2","90","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C4 H16 Bi Cl5 N2 -","- C4 H16 Bi Cl5 N2 -","- C32 H128 Bi8 Cl40 N16 -","8","1","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","x-ray","0.71073","MoKα","","0.0342","0.0272","","","0.0598","0.0621","","","","","","1.021","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247810","17.7119","0.0005","22.0532","0.0007","7.5527","0.0002","90","","90","","90","","2950.12","0.15","90","2","90","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C4 H16 Bi Br2.12 Cl2.88 N2 -","- C4 H16 Bi Br2.13 Cl2.87 N2 -","- C32 H128 Bi8 Br17.04 Cl22.96 N16 -","8","1","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","x-ray","0.71073","MoKα","","0.0769","0.0714","","","0.1279","0.1332","","","","","","1.165","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247811","17.6291","0.0003","21.9787","0.0004","7.512","0.0001","90","","90","","90","","2910.63","0.08","90","2","90","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C4 H16 Bi Br1.15 Cl3.85 N2 -","- C4 H16 Bi Br1.149 Cl3.851 N2 -","- C32 H128 Bi8 Br9.192 Cl30.808 N16 -","8","1","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","x-ray","0.71073","MoKα","","0.0418","0.0358","","","0.0796","0.082","","","","","","1.077","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247812","17.5665","0.0004","7.4508","0.0002","22.164","0.0005","90","","90","","90","","2900.92","0.12","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H16 Bi Cl5 N2 -","- C4 H16 Bi Cl5 N2 -","- C32 H128 Bi8 Cl40 N16 -","8","1","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","x-ray","0.71073","MoKα","","0.0816","0.0708","","","0.1064","0.1091","","","","","","1.07","","","","has coordinates","289452","2024-02-04","11:40:26",""
"7247813","14.7317","0.0013","15.1925","0.0014","20.7026","0.0019","97.426","0.002","105.699","0.002","93.95","0.002","4397","0.7","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C35 H59 Mn3.5 Mo12 N10 O71 P8 -","- C35 H59 Mn3.5 Mo12 N10 O71 P8 -","- C70 H118 Mn7 Mo24 N20 O142 P16 -","2","1","","Liu, Xiaodong; Xu, Na; Liu, Xiaohui; Guo, Yanyan; Wang, Xiuli","A new {P4Mo6}-based complex as a highly efficient heterogeneous catalyst for the oxidation of alkylbenzenes under mild conditions","CrystEngComm","2024","26","3","364","369","10.1039/D3CE01031G","","x-ray","0.71073","MoKα","K-L~3~","0.0452","0.0396","","","0.0946","0.0979","","","","","","1.069","","","","has coordinates,has disorder","289454","2024-02-04","11:40:41",""
"7247822","7.9718","0.0005","14.0812","0.0009","11.5373","0.0008","90","","95.204","0.002","90","","1289.75","0.15","296.15","","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H29 Co N4 O13 P -","- C19 H29 Co N4 O13 P -","- C38 H58 Co2 N8 O26 P2 -","2","1","","Zhang, Menglei; Li, Zhongkui; Zhu, Yanhong; Yan, Li; Zhong, Xue; Zhang, Yijie; Li, Ziyao; Bai, Yixiang; Li, Hui","Mimic uracil–uracil base pairing: self-assembly and single crystal structure","CrystEngComm","2024","26","3","261","267","10.1039/D3CE01056B","","","0.71073","MoKα","","0.0436","0.0333","","","0.063","0.0664","","","","","","0.977","","","","has coordinates","289457","2024-02-04","11:41:59",""
"7247823","6.7824","0.0006","13.8721","0.0012","15.7504","0.0014","68.453","0.003","89.86","0.003","80.963","0.003","1358.8","0.2","296.15","","296.15","","","","","","","","","6","P 1","P 1","1","","","","- C33 H63 Co2 N9 O32 P2 -","- C33 H63 Co2 N9 O32 P2 -","- C33 H63 Co2 N9 O32 P2 -","1","1","","Zhang, Menglei; Li, Zhongkui; Zhu, Yanhong; Yan, Li; Zhong, Xue; Zhang, Yijie; Li, Ziyao; Bai, Yixiang; Li, Hui","Mimic uracil–uracil base pairing: self-assembly and single crystal structure","CrystEngComm","2024","26","3","261","267","10.1039/D3CE01056B","","","0.71073","MoKα","","0.1054","0.0644","","","0.155","0.178","","","","","","1.018","","","","has coordinates","289457","2024-02-04","11:41:59",""
"7247824","6.9314","0.001","13.624","0.002","15.739","0.002","115.138","0.004","93.184","0.004","96.631","0.005","1327.4","0.3","296.15","","296.15","","","","","","","","","6","P 1","P 1","1","","","","- C30 H50 Co2 N8 O27 P2 -","- C30 H50 Co2 N8 O27 P2 -","- C30 H50 Co2 N8 O27 P2 -","1","1","","Zhang, Menglei; Li, Zhongkui; Zhu, Yanhong; Yan, Li; Zhong, Xue; Zhang, Yijie; Li, Ziyao; Bai, Yixiang; Li, Hui","Mimic uracil–uracil base pairing: self-assembly and single crystal structure","CrystEngComm","2024","26","3","261","267","10.1039/D3CE01056B","","x-ray","0.71073","MoKα","","0.1442","0.0821","","","0.1723","0.2002","","","","","","1.019","","","","has coordinates","289457","2024-02-04","11:41:59",""
"7247825","11.7","0.002","31.93","0.006","11.774","0.002","90","","106.376","0.007","90","","4220.1","1.3","296.15","","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C58 H82 Co2 N20 O30 P2 -","- C58 H82 Co2 N20 O30 P2 -","- C116 H164 Co4 N40 O60 P4 -","2","1","","Zhang, Menglei; Li, Zhongkui; Zhu, Yanhong; Yan, Li; Zhong, Xue; Zhang, Yijie; Li, Ziyao; Bai, Yixiang; Li, Hui","Mimic uracil–uracil base pairing: self-assembly and single crystal structure","CrystEngComm","2024","26","3","261","267","10.1039/D3CE01056B","","","0.71073","MoKα","","0.0635","0.0534","","","0.1351","0.1402","","","","","","1.021","","","","has coordinates","289457","2024-02-04","11:41:59",""
"7247826","10.7744","0.0004","25.5061","0.0011","31.6431","0.0012","90","","90","","90","","8695.9","0.6","296.15","","296.15","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C27 H35 Cd N8 O14 P -","- C27 H35 Cd N8 O14 P -","- C216 H280 Cd8 N64 O112 P8 -","8","1","","Zhang, Menglei; Li, Zhongkui; Zhu, Yanhong; Yan, Li; Zhong, Xue; Zhang, Yijie; Li, Ziyao; Bai, Yixiang; Li, Hui","Mimic uracil–uracil base pairing: self-assembly and single crystal structure","CrystEngComm","2024","26","3","261","267","10.1039/D3CE01056B","","","0.71073","MoKα","","0.0601","0.0407","","","0.0922","0.0994","","","","","","1.032","","","","has coordinates,has disorder","289457","2024-02-04","11:41:59",""
"7247827","12.2243","0.0004","10.5039","0.0003","23.3691","0.0008","90","","91.697","0.003","90","","2999.34","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H40 N2 O4 S Si -","- C29 H40 N2 O4 S Si -","- C116 H160 N8 O16 S4 Si4 -","4","1","","Li, Zengzeng; Lu, Fei; Xu, Qingchun; Liu, Gang; Zhao, Ximei; Wang, Guanghui","Unexpected stereoselective CuBr2-catalyzed cascade reaction of 2-ethynylanilines with silylynamides: facile and atom-economical access to N-vinylsilylindoles","Green Chemistry","2024","26","1","259","263","10.1039/D3GC04244H","","","1.54184","CuKα","","0.0786","0.0615","","","0.1674","0.1835","","","","","","1.036","","","","has coordinates,has disorder","289570","2024-02-04","12:17:16",""
"7247828","22.937","0.004","8.7952","0.0015","11.1318","0.0019","90","","90","","90","","2245.7","0.7","296.15","","296.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C28 H23 O3 P -","- C28 H23 O3 P -","- C112 H92 O12 P4 -","4","1","","Huang, Mingqing; Huang, Haiyang; You, Mengyao; Zhang, Xinxin; Sun, Longgen; Chen, Chao; Mei, Zhichao; Yang, Ruchun; Xiao, Qiang","Direct air-induced arylphosphinoyl radicals for the synthesis of benzo[b]phosphole oxides","Green Chemistry","2024","26","1","295","299","10.1039/D3GC03947A","","","0.71073","MoKα","","0.0562","0.0421","","","0.0963","0.1046","","","","","","1.044","","","","has coordinates","289563","2024-02-04","12:16:13",""
"7247829","13.961","0.002","9.9168","0.0016","21.452","0.003","90","","106.577","0.003","90","","2846.6","0.7","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 O P -","- C28 H25 O P -","- C112 H100 O4 P4 -","4","1","","Huang, Mingqing; Huang, Haiyang; You, Mengyao; Zhang, Xinxin; Sun, Longgen; Chen, Chao; Mei, Zhichao; Yang, Ruchun; Xiao, Qiang","Direct air-induced arylphosphinoyl radicals for the synthesis of benzo[b]phosphole oxides","Green Chemistry","2024","26","1","295","299","10.1039/D3GC03947A","","","0.71073","MoKα","","0.1132","0.0555","","","0.1352","0.1541","","","","","","0.836","","","","has coordinates","289563","2024-02-04","12:16:14",""
"7247833","5.1004","0.0007","20.907","0.003","21.437","0.003","90","","94.484","0.004","90","","2278.9","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 Cu N4 O9 -","- C27 H18 Cu N4 O9 -","- C108 H72 Cu4 N16 O36 -","4","1","","Duan, Wen-Long; Yan, Ming-Yue; Yan, Feng; Luan, Jian","Fabrication of two 5-R-isophthalic acid-modulated Cu-based coordination polymers as urease inhibitors","CrystEngComm","2024","26","3","324","333","10.1039/D3CE01109G","","","0.71073","MoKα","","0.157","0.0763","","","0.2069","0.2602","","","","","","1.02","","","","has coordinates","289451","2024-02-04","11:39:36",""
"7247834","13.3687","0.0006","19.6383","0.0009","12.8093","0.0005","90","","90","","90","","3362.9","0.3","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C34 H24 Cu2 N6 O17 -","- C34 H24 Cu2 N6 O17 -","- C136 H96 Cu8 N24 O68 -","4","0.5","","Duan, Wen-Long; Yan, Ming-Yue; Yan, Feng; Luan, Jian","Fabrication of two 5-R-isophthalic acid-modulated Cu-based coordination polymers as urease inhibitors","CrystEngComm","2024","26","3","324","333","10.1039/D3CE01109G","","","0.71073","MoKα","","0.0799","0.0402","","","0.0922","0.1094","","","","","","1","","","","has coordinates","289451","2024-02-04","11:39:36",""
"7247835","15.156","0.0003","6.0528","0.0001","20.8658","0.0004","90","","104.934","0.001","90","","1849.5","0.06","297","2","297","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H24 N2 -","- C23 H24 N2 -","- C92 H96 N8 -","4","2","","Yang, Zhi; Chen, Yu; Wan, Linxi; Li, Yuxiao; Chen, Dan; Tao, Jianlin; Tang, Pei; Chen, Fen-Er","Iridium-catalyzed asymmetric, complete hydrogenation of pyrimidinium salts under batch and flow","Green Chemistry","2024","26","1","317","322","10.1039/D3GC04364A","","","1.54178","CuKα","","0.0513","0.0457","","","0.1214","0.1257","","","","","","1.065","","","","has coordinates","289567","2024-02-04","12:16:59",""
"7247836","19.0668","0.001","8.1886","0.0004","8.0487","0.0004","90","","91.561","0.003","90","","1256.18","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N3 O3 -","- C12 H16 N3 O3 -","- C48 H64 N12 O12 -","4","1","","Scheepers, Matthew C.; Lemmerer, Andreas","The design of a series of cocrystals featuring dicarboxylic acid with a modified isoniazid derivative","CrystEngComm","2024","26","3","268","276","10.1039/D3CE00846K","","x-ray","0.71073","MoKα","","0.0701","0.0465","","","0.1097","0.1225","","","","","","1.044","","","","has coordinates","289458","2024-02-04","11:42:22",""
"7247837","47.13","0.004","5.0755","0.0004","23.567","0.002","90","","111.352","0.002","90","","5250.5","0.8","173","2","173.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H34 N6 O6 -","- C25 H34 N6 O6 -","- C200 H272 N48 O48 -","8","1","","Scheepers, Matthew C.; Lemmerer, Andreas","The design of a series of cocrystals featuring dicarboxylic acid with a modified isoniazid derivative","CrystEngComm","2024","26","3","268","276","10.1039/D3CE00846K","","x-ray","0.71073","MoKα","","0.1011","0.0829","","","0.1916","0.1988","","","","","","1.183","","","","has coordinates","289458","2024-02-04","11:42:32",""
"7247838","19.888","0.004","8.2744","0.0015","8.3942","0.0015","90","","96.316","0.006","90","","1373","0.4","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 N3 O3 -","- C13 H18 N3 O3 -","- C52 H72 N12 O12 -","4","1","","Scheepers, Matthew C.; Lemmerer, Andreas","The design of a series of cocrystals featuring dicarboxylic acid with a modified isoniazid derivative","CrystEngComm","2024","26","3","268","276","10.1039/D3CE00846K","","x-ray","0.71073","MoKα","","0.1118","0.0664","","","0.1659","0.1913","","","","","","1.032","","","","has coordinates","289458","2024-02-04","11:42:32",""
"7247839","7.9554","0.0004","13.7715","0.0008","14.6005","0.0008","72.874","0.003","75.014","0.003","84.453","0.003","1476.32","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H40 N6 O6 -","- C28 H40 N6 O6 -","- C56 H80 N12 O12 -","2","1","","Scheepers, Matthew C.; Lemmerer, Andreas","The design of a series of cocrystals featuring dicarboxylic acid with a modified isoniazid derivative","CrystEngComm","2024","26","3","268","276","10.1039/D3CE00846K","","x-ray","0.71073","MoKα","","0.0783","0.0528","","","0.1317","0.149","","","","","","1.027","","","","has coordinates","289458","2024-02-04","11:42:32",""
"7247840","22.0145","0.0019","16.7461","0.0015","7.9045","0.0006","90","","100.476","0.003","90","","2865.5","0.4","173","2","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13.5 H19 N3 O3 -","- C13.5 H19 N3 O3 -","- C108 H152 N24 O24 -","8","1","","Scheepers, Matthew C.; Lemmerer, Andreas","The design of a series of cocrystals featuring dicarboxylic acid with a modified isoniazid derivative","CrystEngComm","2024","26","3","268","276","10.1039/D3CE00846K","","x-ray","0.71073","MoKα","","0.107","0.0506","","","0.1077","0.1354","","","","","","1.031","","","","has coordinates","289458","2024-02-04","11:42:32",""
"7247841","12.4347","0.0005","7.204","0.0003","33.7027","0.0013","90","","90","","90","","3019.1","0.2","150","0.1","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H15 N3 O -","- C19 H15 N3 O -","- C152 H120 N24 O8 -","8","1","","Han, Chuchu; Yang, Jing; Zhang, Xin; Li, Aisen; Peng, Jiang","Dual control of passive light output direction by light and mechanical forces in elastic crystals","CrystEngComm","2024","26","2","203","208","10.1039/D3CE01021J","","x-ray","1.54178","CuKα","","0.069","0.0539","","","0.1338","0.149","","","","","","1.036","","","","has coordinates","289449","2024-02-04","11:39:21",""
"7247844","16.832","0.0014","14.5894","0.0016","23.725","0.003","90","","90","","90","","5826.1","1.1","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C32 H22 Co2 N4 O9 S6 -","- C32 H22 Co2 N4 O9 S6 -","- C128 H88 Co8 N16 O36 S24 -","4","0.5","","Duan, Chun-Pu; Ni, Ya-Lu; Yang, Xu-Dong; Huang, Jing-Yu; Shen, Yong-Hui; Gu, Xun-Gang; Ni, Gang; Ma, Miao-Lian; Li, Juan; Qin, Ling","Electrocatalytic hydrogen evolution of MOF-derived materials based on conjugated or unconjugated ligands","CrystEngComm","2024","26","3","370","380","10.1039/D3CE00829K","","","0.71073","MoKα","","0.1094","0.0962","","","0.2823","0.2921","","","","","","1.134","","","","has coordinates","289456","2024-02-04","11:41:27",""
"7247845","15.156","0.003","18.378","0.002","15.9626","0.0018","90","","91.834","0.012","90","","4443.9","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 Co2 N8 O8 S4 -","- C36 H20 Co2 N8 O8 S4 -","- C144 H80 Co8 N32 O32 S16 -","4","1","","Duan, Chun-Pu; Ni, Ya-Lu; Yang, Xu-Dong; Huang, Jing-Yu; Shen, Yong-Hui; Gu, Xun-Gang; Ni, Gang; Ma, Miao-Lian; Li, Juan; Qin, Ling","Electrocatalytic hydrogen evolution of MOF-derived materials based on conjugated or unconjugated ligands","CrystEngComm","2024","26","3","370","380","10.1039/D3CE00829K","","","0.71073","MoKα","","0.1704","0.1141","","","0.2754","0.3041","","","","","","1.02","","","","has coordinates","289456","2024-02-04","11:41:37",""
"7247846","8.8956","0.0005","14.3091","0.0008","10.4218","0.0006","90","","92.766","0.002","90","","1325.02","0.13","298.27","","298.27","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 Cl8 Co2 N4 O2 -","- C14 H26 Cl8 Co2 N4 O2 -","- C28 H52 Cl16 Co4 N8 O4 -","2","0.5","","Li, Haitao; Guo, Zhenwei; Liu, Tie; Xin, Lianxin; Guo, Fang","Solid-state reaction among [CoCl4]2−, [CuCl4]2− and [CuCl4(H2O)]2− ions through transmetalation and liquid-assisted grinding","CrystEngComm","2024","26","3","381","387","10.1039/D3CE01038D","","","0.71073","MoKα","","0.032","0.0267","","","0.0626","0.0658","","","","","","1.059","","","","has coordinates,has disorder","289453","2024-02-04","11:40:34",""
"7247847","8.9266","0.0008","14.2573","0.0012","10.4071","0.0009","90","","92.659","0.002","90","","1323.1","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 Cl8 N4 O2 Zn2 -","- C14 H25.98 Cl8 N4 O2 Zn2 -","- C28 H51.96 Cl16 N8 O4 Zn4 -","2","0.5","","Li, Haitao; Guo, Zhenwei; Liu, Tie; Xin, Lianxin; Guo, Fang","Solid-state reaction among [CoCl4]2−, [CuCl4]2− and [CuCl4(H2O)]2− ions through transmetalation and liquid-assisted grinding","CrystEngComm","2024","26","3","381","387","10.1039/D3CE01038D","","","0.71073","MoKα","","0.0524","0.0489","","","0.1358","0.1396","","","","","","1.056","","","","has coordinates,has disorder","289453","2024-02-04","11:40:34",""
"7247848","9.1035","0.0008","5.0596","0.0004","23.3576","0.0019","90","","93.543","0.003","90","","1073.8","0.15","293.15","","293.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14 H22 Cl6 Cu N4 -","- C14 H22 Cl6 Cu N4 -","- C28 H44 Cl12 Cu2 N8 -","2","0.5","","Li, Haitao; Guo, Zhenwei; Liu, Tie; Xin, Lianxin; Guo, Fang","Solid-state reaction among [CoCl4]2−, [CuCl4]2− and [CuCl4(H2O)]2− ions through transmetalation and liquid-assisted grinding","CrystEngComm","2024","26","3","381","387","10.1039/D3CE01038D","","","0.71073","MoKα","","0.0478","0.0394","","","0.0985","0.1034","","","","","","1.119","","","","has coordinates,has disorder","289453","2024-02-04","11:40:35",""
"7247849","6.3666","0.0003","9.1403","0.0005","11.6139","0.0006","74.548","0.002","88.019","0.002","80.64","0.002","642.71","0.06","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H26 Cl8 Cu2 N4 O2 -","- C14 H26 Cl8 Cu2 N4 O2 -","- C14 H26 Cl8 Cu2 N4 O2 -","1","0.5","","Li, Haitao; Guo, Zhenwei; Liu, Tie; Xin, Lianxin; Guo, Fang","Solid-state reaction among [CoCl4]2−, [CuCl4]2− and [CuCl4(H2O)]2− ions through transmetalation and liquid-assisted grinding","CrystEngComm","2024","26","3","381","387","10.1039/D3CE01038D","","","0.71073","MoKα","","0.0272","0.0256","","","0.0641","0.0651","","","","","","1.097","","","","has coordinates","289453","2024-02-04","11:40:35",""
"7247850","7.9414","0.0006","9.2292","0.0007","13.4539","0.0011","71.148","0.003","82.961","0.003","81.232","0.003","919.44","0.13","289","2","289.27","","","","","","","","","4","P -1","-P 1","2","","1,3-benozoxazine","","- C21 H21 N O5 -","- C21 H21 N O5 -","- C42 H42 N2 O10 -","2","1","","Duhan, Vaishaly; Yadav, Shivani; Len, Christophe; Lochab, Bimlesh","The mechanochemical synthesis of environmentally benign fully biobased 4th generation benzoxazines and their polymers: mechanistic insights into the catalytic activity of latent catalysts","Green Chemistry","2024","26","1","483","497","10.1039/D3GC03522K","","","0.71073","MoKα","","0.0614","0.048","","","0.1248","0.1397","","","","","","1.089","","","","has coordinates","289564","2024-02-04","12:16:35",""
"7247851","7.9467","0.0003","9.2458","0.0004","13.4593","0.0005","71.201","0.001","83.031","0.002","81.265","0.002","922.52","0.06","313","2","313","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N O5 -","- C21 H21 N O5 -","- C42 H42 N2 O10 -","2","1","","Duhan, Vaishaly; Yadav, Shivani; Len, Christophe; Lochab, Bimlesh","The mechanochemical synthesis of environmentally benign fully biobased 4th generation benzoxazines and their polymers: mechanistic insights into the catalytic activity of latent catalysts","Green Chemistry","2024","26","1","483","497","10.1039/D3GC03522K","","","0.71073","MoKα","","0.1834","0.0747","","","0.2045","0.274","","","","","","1.059","","","","has coordinates","289564","2024-02-04","12:16:35",""
"7247852","7.9501","0.0004","9.2801","0.0006","13.4663","0.0008","71.289","0.002","83.005","0.002","81.107","0.002","926.92","0.09","343","","343","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N O5 -","- C21 H21 N O5 -","- C42 H42 N2 O10 -","2","1","","Duhan, Vaishaly; Yadav, Shivani; Len, Christophe; Lochab, Bimlesh","The mechanochemical synthesis of environmentally benign fully biobased 4th generation benzoxazines and their polymers: mechanistic insights into the catalytic activity of latent catalysts","Green Chemistry","2024","26","1","483","497","10.1039/D3GC03522K","","","0.71073","MoKα","","0.1485","0.0932","","","0.2818","0.3861","","","","","","1.4868","","","","has coordinates","289564","2024-02-04","12:16:35",""
"7247855","7.985","0.002","8.521","0.002","21.601","0.005","90","","96.717","0.009","90","","1459.6","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","1","","Zeng, Kui; Pandit, Neeraj Kumar; Oliveira, João C. A.; Dechert, Sebastian; Ackermann, Lutz; Zhang, Kai","Weak-coordination-auxiliary aminocatalysis enables directed [3 + 2] cyclization for 2-acylindolizines","Green Chemistry","2024","26","9","5253","5259","10.1039/D3GC03552B","","","0.71073","MoKα","","0.0469","0.0378","","","0.0883","0.0942","","","","","","1.026","","","","has coordinates","293165","2024-07-05","17:24:06",""
"7247856","7.519","0.0013","12.05","0.002","11.678","0.002","90","","100.317","0.006","90","","1041","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O -","- C13 H15 N O -","- C52 H60 N4 O4 -","4","1","","Zeng, Kui; Pandit, Neeraj Kumar; Oliveira, João C. A.; Dechert, Sebastian; Ackermann, Lutz; Zhang, Kai","Weak-coordination-auxiliary aminocatalysis enables directed [3 + 2] cyclization for 2-acylindolizines","Green Chemistry","2024","26","9","5253","5259","10.1039/D3GC03552B","","","0.71073","MoKα","","0.0863","0.0505","","","0.1167","0.1372","","","","","","1.078","","","","has coordinates","293165","2024-07-05","17:24:06",""
"7247857","3.7781","0.0002","7.5804","0.0003","14.7776","0.0006","94.101","0.002","93.691","0.002","96.948","0.002","417.9","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H6 N2 O2 -","- C9 H6 N2 O2 -","- C18 H12 N4 O4 -","2","1","","Qi, Jing; Wang, Xiyan; Wang, Gan; Dubbaka, Srinivas Reddy; O'Neill, Patrick; Ang, Hwee Ting; Wu, Jie","Sustainable electrocatalytic oxidation of N-alkylamides to acyclic imides using H2O","Green Chemistry","2024","26","1","306","311","10.1039/D3GC04010K","","","0.71073","MoKα","","0.0419","0.0385","","","0.1091","0.1135","","","","","","1.055","","","","has coordinates","289568","2024-02-04","12:17:03",""
"7247858","4.61033","0.00012","11.7809","0.0004","29.1594","0.0012","90","","90","","90","","1583.76","0.09","149.99","0.1","149.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O10 -","- C14 H19 N O10 -","- C56 H76 N4 O40 -","4","1","","Chen, Shipeng; Wang, Jinping; Feng, Li; Song, Zebin; Wang, Xiaoji; Ke, Yubin; Hua, Lin; Fan, Yange; Li, Zheng; Hou, Yimin; Xue, Baoyu; Liu, Luke","Preparation, characterization and application of d-gluconic acetal-based self-healing supramolecular ionogels for desulphurization of fuels","Green Chemistry","2024","26","2","979","991","10.1039/D3GC04359B","","x-ray","1.54184","CuKα","","0.0515","0.0435","","","0.1022","0.1056","","","","","","1.105","","","","has coordinates","289572","2024-02-04","12:17:34",""
"7247859","10.8293","0.0013","11.2973","0.0014","12.2048","0.0014","82.474","0.004","89.037","0.004","78.85","0.004","1452.3","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C63 H70 Cl2 N2 O5 Ru2 -","- C63 H70 Cl2 N2 O5 Ru2 -","- C63 H70 Cl2 N2 O5 Ru2 -","1","0.5","","Deshmukh, Gopal; Rana, Thakur Rochak Kumar; Yadav, Nikita; Rajaraman, Gopalan; Murugavel, Ramaswamy","A highly active and chemoselective homobimetallic ruthenium catalyst for one-pot reductive amination in water","Green Chemistry","2024","26","3","1610","1626","10.1039/D3GC03374K","","","0.71073","MoKα","","0.0635","0.0555","","","0.1455","0.1523","","","","","","1.119","","","","has coordinates","290224","2024-03-04","20:32:43",""
"7247860","11.3984","0.0001","12.3026","0.0001","18.3366","0.0002","90","","99.351","0.001","90","","2537.17","0.04","104.5","0.7","104.5","0.7","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H36 Cl N O Ru -","- C29 H36 Cl N O Ru -","- C116 H144 Cl4 N4 O4 Ru4 -","4","1","","Deshmukh, Gopal; Rana, Thakur Rochak Kumar; Yadav, Nikita; Rajaraman, Gopalan; Murugavel, Ramaswamy","A highly active and chemoselective homobimetallic ruthenium catalyst for one-pot reductive amination in water","Green Chemistry","2024","26","3","1610","1626","10.1039/D3GC03374K","","x-ray","0.71073","MoKα","","0.0221","0.0212","","","0.0542","0.0549","","","","","","1.033","","","","has coordinates","290224","2024-03-04","20:32:44",""
"7247861","9.9495","0.0002","11.559","0.0002","26.1562","0.0005","90","","90","","90","","3008.13","0.1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 O3 P -","- C16 H21 O3 P -","- C128 H168 O24 P8 -","8","2","","Tichotová, Markéta Christou; Tučková, Lucie; Kocek, Hugo; Růžička, Aleš; Straka, Michal; Procházková, Eliška","Exploring the impact of alignment media on RDC analysis of phosphorus-containing compounds: a molecular docking approach.","Physical chemistry chemical physics : PCCP","2024","26","3","2016","2024","10.1039/d3cp04099b","","","0.71073","MoKα","","0.0261","0.0251","","","0.0674","0.0686","","","","","","1.066","","","","has coordinates","289644","2024-02-04","12:31:55",""
"7247862","10.2826","0.0003","6.9016","0.0002","11.6832","0.0003","90","","114.723","0.001","90","","753.12","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 O3 P -","- C16 H21 O3 P -","- C32 H42 O6 P2 -","2","1","","Tichotová, Markéta Christou; Tučková, Lucie; Kocek, Hugo; Růžička, Aleš; Straka, Michal; Procházková, Eliška","Exploring the impact of alignment media on RDC analysis of phosphorus-containing compounds: a molecular docking approach.","Physical chemistry chemical physics : PCCP","2024","26","3","2016","2024","10.1039/d3cp04099b","","","0.71073","MoKα","","0.0333","0.0329","","","0.0844","0.0848","","","","","","1.065","","","","has coordinates,has disorder","289644","2024-02-04","12:31:56",""
"7247863","10.2898","0.001","6.902","0.0006","11.6872","0.0009","90","","114.772","0.003","90","","753.65","0.12","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 O3 P -","- C16 H21 O3 P -","- C32 H42 O6 P2 -","2","1","","Tichotová, Markéta Christou; Tučková, Lucie; Kocek, Hugo; Růžička, Aleš; Straka, Michal; Procházková, Eliška","Exploring the impact of alignment media on RDC analysis of phosphorus-containing compounds: a molecular docking approach.","Physical chemistry chemical physics : PCCP","2024","26","3","2016","2024","10.1039/d3cp04099b","","","0.71073","MoKα","","0.0408","0.0375","","","0.0979","0.1013","","","","","","1.093","","","","has coordinates,has disorder","289644","2024-02-04","12:31:56",""
"7247864","9.9615","0.0006","11.5646","0.0007","26.2104","0.0014","90","","90","","90","","3019.5","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 O3 P -","- C16 H21 O3 P -","- C128 H168 O24 P8 -","8","2","","Tichotová, Markéta Christou; Tučková, Lucie; Kocek, Hugo; Růžička, Aleš; Straka, Michal; Procházková, Eliška","Exploring the impact of alignment media on RDC analysis of phosphorus-containing compounds: a molecular docking approach.","Physical chemistry chemical physics : PCCP","2024","26","3","2016","2024","10.1039/d3cp04099b","","","0.71073","MoKα","","0.0397","0.037","","","0.0935","0.0957","","","","","","1.071","","","","has coordinates","289644","2024-02-04","12:31:56",""
"7247865","15.207","0.002","5.1052","0.0007","26.456","0.004","90","","99.547","0.005","90","","2025.5","0.5","109","","109","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 Cl N O4 -","- C22 H24 Cl N O4 -","- C88 H96 Cl4 N4 O16 -","4","2","","De Beer, Francois J.; Jacobs, Frederick J. F.; Ntsila, Akho; Kama, Dumisani V.; Azov, Vladimir A.","Analysis of short contacts in crystals of halogenated amino acids: atom–atom interactions vs. energy frameworks","CrystEngComm","2024","26","5","604","619","10.1039/D3CE01029E","","","1.54178","CuKα","","0.0429","0.0389","","","0.1027","0.1061","","","","","","1.043","","","","has coordinates,has disorder","289440","2024-02-04","11:37:19",""
"7247866","5.1261","0.0009","8.728","0.0014","29.053","0.005","90","","90","","90","","1299.8","0.4","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H16 I N O4 -","- C9 H16 I N O4 -","- C36 H64 I4 N4 O16 -","4","1","","De Beer, Francois J.; Jacobs, Frederick J. F.; Ntsila, Akho; Kama, Dumisani V.; Azov, Vladimir A.","Analysis of short contacts in crystals of halogenated amino acids: atom–atom interactions vs. energy frameworks","CrystEngComm","2024","26","5","604","619","10.1039/D3CE01029E","","","1.54178","CuKα","","0.0435","0.0411","","","0.1063","0.1086","","","","","","1.044","","","","has coordinates","289440","2024-02-04","11:37:19",""
"7247867","5.4467","0.0008","11.4173","0.0018","25.107","0.004","90","","90","","90","","1561.3","0.4","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H22 I N O4 -","- C12 H22 I N O4 -","- C48 H88 I4 N4 O16 -","4","1","","De Beer, Francois J.; Jacobs, Frederick J. F.; Ntsila, Akho; Kama, Dumisani V.; Azov, Vladimir A.","Analysis of short contacts in crystals of halogenated amino acids: atom–atom interactions vs. energy frameworks","CrystEngComm","2024","26","5","604","619","10.1039/D3CE01029E","","","0.71073","MoKα","","0.0206","0.0194","","","0.0393","0.0396","","","","","","1.132","","","","has coordinates","289440","2024-02-04","11:37:19",""
"7247868","5.9666","0.0005","9.8723","0.0009","12.6022","0.0011","90","","93.118","0.003","90","","741.22","0.11","101","2","101","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H44 Cl2 N2 O8 -","- C24 H44 Cl2 N2 O8 -","- C24 H44 Cl2 N2 O8 -","1","0.5","","De Beer, Francois J.; Jacobs, Frederick J. F.; Ntsila, Akho; Kama, Dumisani V.; Azov, Vladimir A.","Analysis of short contacts in crystals of halogenated amino acids: atom–atom interactions vs. energy frameworks","CrystEngComm","2024","26","5","604","619","10.1039/D3CE01029E","","","0.71073","MoKα","","0.0234","0.0231","","","0.0615","0.0617","","","","","","1.046","","","","has coordinates","289440","2024-02-04","11:37:19",""
"7247869","16.6588","0.0011","16.6588","0.0011","5.174","0.0005","90","","90","","120","","1243.5","0.17","110","","110","","","","","","","","","5","P 31","P 31","144","","","","- C15 H20 I N O4 -","- C15 H20 I N O4 -","- C45 H60 I3 N3 O12 -","3","1","","De Beer, Francois J.; Jacobs, Frederick J. F.; Ntsila, Akho; Kama, Dumisani V.; Azov, Vladimir A.","Analysis of short contacts in crystals of halogenated amino acids: atom–atom interactions vs. energy frameworks","CrystEngComm","2024","26","5","604","619","10.1039/D3CE01029E","","","0.71073","MoKα","","0.0295","0.0273","","","0.0641","0.0656","","","","","","1.036","","","","has coordinates","289440","2024-02-04","11:37:19",""
"7247870","9.224","0.0006","5.0773","0.0003","13.2741","0.0009","90","","107.467","0.002","90","","593","0.07","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H16 Cl N O4 -","- C9 H16 Cl N O4 -","- C18 H32 Cl2 N2 O8 -","2","1","","De Beer, Francois J.; Jacobs, Frederick J. F.; Ntsila, Akho; Kama, Dumisani V.; Azov, Vladimir A.","Analysis of short contacts in crystals of halogenated amino acids: atom–atom interactions vs. energy frameworks","CrystEngComm","2024","26","5","604","619","10.1039/D3CE01029E","","","0.71073","MoKα","","0.0219","0.0212","","","0.0527","0.0531","","","","","","1.075","","","","has coordinates","289440","2024-02-04","11:37:19",""
"7247871","5.1069","0.0015","11.791","0.003","26.327","0.008","90","","90","","90","","1585.3","0.8","105","2","105","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 Cl N O4 -","- C15 H20 Cl N O4 -","- C60 H80 Cl4 N4 O16 -","4","1","","De Beer, Francois J.; Jacobs, Frederick J. F.; Ntsila, Akho; Kama, Dumisani V.; Azov, Vladimir A.","Analysis of short contacts in crystals of halogenated amino acids: atom–atom interactions vs. energy frameworks","CrystEngComm","2024","26","5","604","619","10.1039/D3CE01029E","","","1.54178","CuKα","","0.1294","0.0802","","","0.1981","0.2465","","","","","","1.061","","","","has coordinates,has disorder","289440","2024-02-04","11:37:19",""
"7247875","9.1668","0.0003","13.6407","0.0005","20.9359","0.0007","90","","90.621","0.002","90","","2617.7","0.16","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H22 B N S2 -","- C36 H22 B N S2 -","- C144 H88 B4 N4 S8 -","4","1","","Ye, Kaishun; Li, Gang; Li, Feiyang; Shi, Chao; Jiang, Zhen; Zhang, Fuzheng; Li, Qiuxia; Su, Jie; Song, Dandan; Yuan, Aihua","B-embedded disulfide-bridged π-conjugated compounds: structures and optical tuning.","Physical chemistry chemical physics : PCCP","2024","26","3","2395","2401","10.1039/d3cp05304k","","","1.54178","CuKα","","0.0729","0.0644","","","0.1586","0.169","","","","","","1.029","","","","has coordinates","289642","2024-02-04","12:31:40",""
"7247876","12.1328","0.0006","12.2744","0.0005","19.0272","0.0009","103.921","0.003","97.005","0.003","98.421","0.003","2684","0.2","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 B N S2 -","- C36 H24 B N S2 -","- C144 H96 B4 N4 S8 -","4","2","","Ye, Kaishun; Li, Gang; Li, Feiyang; Shi, Chao; Jiang, Zhen; Zhang, Fuzheng; Li, Qiuxia; Su, Jie; Song, Dandan; Yuan, Aihua","B-embedded disulfide-bridged π-conjugated compounds: structures and optical tuning.","Physical chemistry chemical physics : PCCP","2024","26","3","2395","2401","10.1039/d3cp05304k","","","1.54178","CuKα","","0.0872","0.0765","","","0.2039","0.219","","","","","","1.068","","","","has coordinates","289642","2024-02-04","12:31:40",""
"7247877","9.9297","0.0001","10.5228","0.0001","21.8433","0.0003","94.3066","0.0007","95.3186","0.0006","107.106","0.0006","2159.41","0.04","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H40 Cd2 N6 O15 -","- C43 H40 Cd2 N6 O15 -","- C86 H80 Cd4 N12 O30 -","2","1","","Chen, Chia-Ling; Wang, Song-Wei; Zhong, Shih-Ying; Chen, Jhy-Der","Cd(ii) coordination polymers constructed from tris-pyridyl-tris-amide and polycarboxylic acid: synthesis, structures and sensing properties","CrystEngComm","2024","26","4","431","438","10.1039/D3CE01096A","","","0.71073","MoKα","","0.0539","0.0346","","","0.0626","0.0687","","","","","","1.014","","","","has coordinates","289445","2024-02-04","11:38:41",""
"7247878","20.134","0.004","20.134","0.004","38.292","0.008","90","0.03","90","0.03","120","0.03","13443","6","296","2","296","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C72 H96 Cd3 N12 O39 -","- C72 H90 Cd3 N12 O39 -","- C432 H540 Cd18 N72 O234 -","6","0.333333","","Chen, Chia-Ling; Wang, Song-Wei; Zhong, Shih-Ying; Chen, Jhy-Der","Cd(ii) coordination polymers constructed from tris-pyridyl-tris-amide and polycarboxylic acid: synthesis, structures and sensing properties","CrystEngComm","2024","26","4","431","438","10.1039/D3CE01096A","","","0.71073","MoKα","","0.1134","0.0582","","","0.1069","0.1292","","","","","","1.032","","","","has coordinates,has disorder","289445","2024-02-04","11:38:41",""
"7247879","10.6729","0.0002","27.5687","0.0004","13.9401","0.0002","90","","108.001","0.0009","90","","3900.94","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H36 Cd N6 O9 -","- C41 H36 Cd N6 O9 -","- C164 H144 Cd4 N24 O36 -","4","1","","Chen, Chia-Ling; Wang, Song-Wei; Zhong, Shih-Ying; Chen, Jhy-Der","Cd(ii) coordination polymers constructed from tris-pyridyl-tris-amide and polycarboxylic acid: synthesis, structures and sensing properties","CrystEngComm","2024","26","4","431","438","10.1039/D3CE01096A","","","0.71073","MoKα","","0.112","0.0498","","","0.0966","0.1148","","","","","","1.006","","","","has coordinates,has disorder","289445","2024-02-04","11:38:41",""
"7247880","8.855","0.0001","11.8895","0.0002","14.0612","0.0002","90","","97.636","0.001","90","","1467.26","0.04","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H40 Br8 Cu2 N6 O2 -","- C12 H40 Br8 Cu2 N6 O2 -","- C24 H80 Br16 Cu4 N12 O4 -","2","0.5","","Gao, Yingui; Xu, Zhihuang; Ye, Liwang; Wang, Yuanjie; Zhuang, Xinxin","A zero-dimensional hybrid copper(I) bromide single crystal with highly efficient green emission.","Physical chemistry chemical physics : PCCP","2024","26","3","2472","2477","10.1039/d3cp05140d","","","1.54184","CuKα","","0.0655","0.0632","","","0.1661","0.1769","","","","","","1.1","","","","has coordinates","289643","2024-02-04","12:31:46",""
"7247881","9.3987","0.0015","11.4649","0.0016","13.311","0.002","90","","103.835","0.005","90","","1392.7","0.4","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 N4 O2 -","- C32 H34 N4 O2 -","- C64 H68 N8 O4 -","2","0.5","","Konopkina, Ekaterina A.; Gopin, Alexander V.; Pozdeev, Anton S.; Chernysheva, Maria G.; Kalle, Paulina; Pavlova, Elizaveta A.; Kalmykov, Stepan N.; Petrov, Vladimir G.; Borisova, Nataliya E.; Guda, Alexander A.; Matveev, Petr I.","Kinetic features of solvent extraction by N,O-donor ligands of f-elements: a comparative study of diamides based on 1,10-phenanthroline and 2,2'-bipyridine.","Physical chemistry chemical physics : PCCP","2024","26","3","2548","2559","10.1039/d3cp05081e","","","0.71073","MoKα","","0.0957","0.0523","","","0.0975","0.1176","","","","","","1.021","","","","has coordinates","289641","2024-02-04","12:31:33",""
"7247882","23.43538","0.00016","23.43538","0.00016","12.3915","0.00013","90","","90","","90","","6805.62","0.1","100","2","100","2","","","","","","","","5","P -4","P -4","81","","","","- C10 H3.5 Cl0.5 N6.5 O18 -","- C8.287 H34.8937 Cl0.77075 N0.5222 O20.2549 -","- C66.296 H279.15 Cl6.166 N4.1776 O162.04 -","8","2","","Muromachi, Sanehiro; Takeya, Satoshi","Guest size effects on a robust structure of semiclathrate hydrates and their thermophysical properties.","Physical chemistry chemical physics : PCCP","2024","26","4","3315","3321","10.1039/d3cp04252a","","","1.54184","CuKα","","0.082","0.0763","","","0.2222","0.2305","","","","","","1.112","","","","has coordinates,has disorder","289640","2024-02-04","12:31:26",""
"7247883","8.95427","0.00016","13.54255","0.00018","9.03971","0.00016","90","","113.787","0.002","90","","1003.07","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C23 H26 I N O2 -","- C23 H26 I N O2 -","- C46 H52 I2 N2 O4 -","2","1","","Muskan,; Verma, Akhilesh K.","An environmentally benign and atom-economical protocol for the regioselective synthesis of isoquinolones from o-alkynylaldehydes","Green Chemistry","2024","26","3","1297","1301","10.1039/D3GC04096H","","x-ray","0.71073","MoKα","","0.0217","0.0207","","","0.044","0.0449","","","","","","1.031","","","","has coordinates","290221","2024-03-04","20:32:23",""
"7247884","8.6456","0.0014","10.4456","0.0017","12.352","0.002","82.605","0.002","79.325","0.002","82.289","0.002","1080.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H30 Cl3 Cu N O6 -","- C13.148 H30.296 Cl3 Cu N O6 -","- C26.296 H60.592 Cl6 Cu2 N2 O12 -","2","1","","Li, Wang; Xie, Miao; Zhang, Shi-Yong; Zeng, Cheng-Hui; Du, Zi-Yi; He, Chun-Ting","A confinement-regulated (H<sub>3</sub>C-NH<sub>3</sub>)<sup>+</sup> ion as a smallest dual-wheel rotator showing bisected rotation dynamics.","Physical chemistry chemical physics : PCCP","2024","26","9","7269","7275","10.1039/d3cp05406c","","","0.71073","MoKα","","0.052","0.0385","","","0.1016","0.1148","","","","","","1.014","","","","has coordinates,has disorder","290284","2024-03-04","20:46:05",""
"7247885","8.5399","0.0004","10.3775","0.0003","12.2132","0.0006","82.772","0.003","80.178","0.004","82.737","0.003","1051.91","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H30 Cl3 Cu N O6 -","- C13.042 H30.084 Cl3 Cu N O6 -","- C26.084 H60.168 Cl6 Cu2 N2 O12 -","2","1","","Li, Wang; Xie, Miao; Zhang, Shi-Yong; Zeng, Cheng-Hui; Du, Zi-Yi; He, Chun-Ting","A confinement-regulated (H<sub>3</sub>C-NH<sub>3</sub>)<sup>+</sup> ion as a smallest dual-wheel rotator showing bisected rotation dynamics.","Physical chemistry chemical physics : PCCP","2024","26","9","7269","7275","10.1039/d3cp05406c","","","0.71073","MoKα","","0.0726","0.0659","","","0.2148","0.2176","","","","","","1.006","","","","has coordinates,has disorder","290284","2024-03-04","20:46:05",""
"7247886","10.7851","0.0004","5.4371","0.0002","22.4992","0.001","90","","91.358","0.004","90","","1318.98","0.09","293","2","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Cd N12 O14 -","- C18 H14 Cd N12 O14 -","- C36 H28 Cd2 N24 O28 -","2","0.5","","Singla, Priyanka; Soni, Pramod Kumar; Singh, Arjun; Sahoo, Subash Chandra","Constructing energetic coordination polymers through mixed-ligand strategy: way to achieve reduced sensitivity with significant energetic performance","CrystEngComm","2024","26","4","494","503","10.1039/D3CE01043K","","x-ray","0.71073","MoKα","","0.0476","0.0351","","","0.0767","0.0868","","","","","","0.9008","","","","has coordinates","289446","2024-02-04","11:38:53",""
"7247887","10.5932","0.0002","5.3285","0.0001","22.3376","0.0005","90","","92.928","0.002","90","","1259.22","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N12 O14 Zn -","- C18 H14 N12 O14 Zn -","- C36 H28 N24 O28 Zn2 -","2","0.5","","Singla, Priyanka; Soni, Pramod Kumar; Singh, Arjun; Sahoo, Subash Chandra","Constructing energetic coordination polymers through mixed-ligand strategy: way to achieve reduced sensitivity with significant energetic performance","CrystEngComm","2024","26","4","494","503","10.1039/D3CE01043K","","","0.71073","MoKα","","0.0419","0.0342","","","0.0902","0.094","","","","","","1.054","","","","has coordinates","289446","2024-02-04","11:38:54",""
"7247888","18.8181","0.0008","18.8181","0.0008","23.6351","0.0007","90","","90","","120","","7248.4","0.5","150","0.1","150","0.1","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C20 H18 Cu N4 O9 -","- C20 H12 Cu N4 O9 -","- C120 H72 Cu6 N24 O54 -","6","0.5","","Dai, Wen; Zhang, Chuanming; Yang, Xiaoang; Li, Lincai","Highly efficient iodine uptake and iodate selective probe in a 3D honeycomb-like copper–organic framework based on in situ ligand transformation","CrystEngComm","2024","26","6","773","782","10.1039/D3CE01169K","","x-ray","1.54184","CuKα","","0.0649","0.0527","","","0.1432","0.1527","","","","","","1.071","","","","has coordinates","290144","2024-03-04","20:07:33",""
"7247889","9.6542","0.0007","15.3891","0.0012","16.7669","0.0016","90","","97.803","0.003","90","","2468","0.4","100","","100","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C18 H22 Cl2 Cu N8 O10 -","- C18 H22 Cl2 Cu N8 O10 -","- C72 H88 Cl8 Cu4 N32 O40 -","4","0.5","","Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.","Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers","CrystEngComm","2024","26","4","504","516","10.1039/D3CE01143G","","","1.54178","CuKα","","0.0746","0.0691","","","0.1728","0.1771","","","","","","1.037","","","","has coordinates,has disorder","289442","2024-02-04","11:37:43",""
"7247890","19.535","0.0009","14.0069","0.0007","10.0241","0.0005","90","","90.699","0.002","90","","2742.6","0.2","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 B2 F8 N8 O2 Zn -","- C20 H30 B2 F8 N8 O2 Zn -","- C80 H120 B8 F32 N32 O8 Zn4 -","4","0.5","","Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.","Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers","CrystEngComm","2024","26","4","504","516","10.1039/D3CE01143G","","","1.54178","CuKα","","0.0715","0.0686","","","0.1955","0.199","","","","","","1.082","","","","has coordinates","289442","2024-02-04","11:37:43",""
"7247891","18.3983","0.0014","18.9979","0.0014","10.4012","0.0007","90","","97.843","0.007","90","","3601.5","0.5","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 F6 N8 O11 S2 Zn -","- C26 H18 F6 N8 O8 S2 Zn -","- C104 H72 F24 N32 O32 S8 Zn4 -","4","0.5","","Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.","Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers","CrystEngComm","2024","26","4","504","516","10.1039/D3CE01143G","","","1.54178","CuKα","","0.1651","0.099","","","0.2564","0.3139","","","","","","1.061","","","","has coordinates","289442","2024-02-04","11:37:43",""
"7247892","18.58","0.003","16.19","0.002","9.4572","0.0013","90","","92.654","0.011","90","","2841.8","0.7","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 Cl2 Cu N8 O10 -","- C20 H30 Cl2 Cu N8 O10 -","- C80 H120 Cl8 Cu4 N32 O40 -","4","0.5","","Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.","Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers","CrystEngComm","2024","26","4","504","516","10.1039/D3CE01143G","","","1.54178","CuKα","","0.128","0.0782","","","0.2024","0.2453","","","","","","1.103","","","","has coordinates","289442","2024-02-04","11:37:43",""
"7247893","6.8471","0.0004","7.8394","0.0005","16.1936","0.0009","77.929","0.004","85.53","0.004","80.67","0.004","837.89","0.09","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H26 Cu F6 N8 O8 S2 -","- C28 H26 Cu F6 N8 O8 S2 -","- C28 H26 Cu F6 N8 O8 S2 -","1","0.5","","Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.","Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers","CrystEngComm","2024","26","4","504","516","10.1039/D3CE01143G","","","1.54178","CuKα","","0.142","0.1185","","","0.2791","0.2945","","","","","","1.039","","","","has coordinates,has disorder","289442","2024-02-04","11:37:43",""
"7247894","9.8837","0.0005","12.5723","0.0006","13.0446","0.0007","85.637","0.002","84.688","0.002","88.395","0.002","1608.94","0.14","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H30 Cl2 N8 O11 Zn -","- C26 H26 Cl2 N8 O10 Zn -","- C52 H52 Cl4 N16 O20 Zn2 -","2","1","","Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.","Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers","CrystEngComm","2024","26","4","504","516","10.1039/D3CE01143G","","","1.54178","CuKα","","0.0491","0.0483","","","0.1272","0.1279","","","","","","1.044","","","","has coordinates","289442","2024-02-04","11:37:43",""
"7247895","18.5166","0.0011","16.2958","0.0009","9.3201","0.0005","90","","92.768","0.004","90","","2809","0.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 Cl2 N8 Ni O10 -","- C20 H30 Cl2 N8 Ni O10 -","- C80 H120 Cl8 N32 Ni4 O40 -","4","0.5","","Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.","Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers","CrystEngComm","2024","26","4","504","516","10.1039/D3CE01143G","","","1.54178","CuKα","","0.0821","0.0602","","","0.1639","0.1818","","","","","","1.058","","","","has coordinates","289442","2024-02-04","11:37:43",""
"7247896","9.8467","0.0006","12.6342","0.0008","12.9571","0.0008","85.731","0.003","85.591","0.004","88.909","0.003","1602.56","0.17","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H30 Cl2 Co N8 O11 -","- C26 H26 Cl2 Co N8 O10 -","- C52 H52 Cl4 Co2 N16 O20 -","2","1","","Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.","Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers","CrystEngComm","2024","26","4","504","516","10.1039/D3CE01143G","","","1.54178","CuKα","","0.082","0.0763","","","0.211","0.2201","","","","","","1.094","","","","has coordinates","289442","2024-02-04","11:37:43",""
"7247897","10.0299","0.0012","13.9025","0.0017","19.959","0.002","90","","90","","90","","2783.1","0.6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H30.5 Cl2 Fe N8 O10.25 -","- C20 H30.5 Cl2 Fe N8 O10.25 -","- C80 H122 Cl8 Fe4 N32 O41 -","4","1","","Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.","Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers","CrystEngComm","2024","26","4","504","516","10.1039/D3CE01143G","","","1.54178","CuKα","","0.0798","0.0615","","","0.1639","0.1765","","","","","","1.061","","","","has coordinates","289442","2024-02-04","11:37:43",""
"7247898","9.7671","0.0008","12.2209","0.001","13.5331","0.0012","87.818","0.005","81.123","0.005","83.122","0.004","1584.2","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H24.5 Cl3.5 Mn N8 O10.5 -","- C24 H22 Cl2 Mn N8 O10 -","- C48 H44 Cl4 Mn2 N16 O20 -","2","1","","Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.","Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers","CrystEngComm","2024","26","4","504","516","10.1039/D3CE01143G","","","1.54178","CuKα","","0.0575","0.0518","","","0.1239","0.1273","","","","","","1.049","","","","has coordinates","289442","2024-02-04","11:37:43",""
"7247899","14.4478","0.0006","17.5319","0.0007","12.9774","0.0004","90","","99.18","0.002","90","","3245","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H12 F2 N2 -","- C21 H12 F2 N2 -","- C168 H96 F16 N16 -","8","1","","Charpe, Vaibhav Pramod; Gupta, Mahima; Hwang, Kuo Chu","Visible light-mediated copper catalyzed regioselective diamination of terminal alkynes at room temperature: a facile synthesis of substituted imidazo[1,2-α]pyridines","Green Chemistry","2024","26","3","1329","1337","10.1039/D3GC04062C","","","0.71073","MoKα","","0.0681","0.0463","","","0.1156","0.1316","","","","","","1.023","","","","has coordinates","290220","2024-03-04","20:32:16",""
"7247900","9.6958","0.0004","12.8863","0.0005","14.1978","0.0005","95.348","0.002","91.322","0.002","97.198","0.002","1751.19","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H18 N2 -","- C23 H18 N2 -","- C92 H72 N8 -","4","2","","Charpe, Vaibhav Pramod; Gupta, Mahima; Hwang, Kuo Chu","Visible light-mediated copper catalyzed regioselective diamination of terminal alkynes at room temperature: a facile synthesis of substituted imidazo[1,2-α]pyridines","Green Chemistry","2024","26","3","1329","1337","10.1039/D3GC04062C","","","0.71073","MoKα","","0.0604","0.0447","","","0.1171","0.1344","","","","","","1.08","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7247901","3.8778","0.0005","12.9392","0.0017","16.735","0.002","90","","92.968","0.003","90","","838.56","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H12 Br2 N2 -","- C21 H12 Br2 N2 -","- C42 H24 Br4 N4 -","2","1","","Charpe, Vaibhav Pramod; Gupta, Mahima; Hwang, Kuo Chu","Visible light-mediated copper catalyzed regioselective diamination of terminal alkynes at room temperature: a facile synthesis of substituted imidazo[1,2-α]pyridines","Green Chemistry","2024","26","3","1329","1337","10.1039/D3GC04062C","","","0.71073","MoKα","","0.0297","0.0255","","","0.054","0.0549","","","","","","0.951","","","","has coordinates","290220","2024-03-04","20:32:17",""
"7247902","7.927","0.0001","11.9867","0.0001","36.2753","0.0004","90","","90","","90","","3446.83","0.06","99.8","0.5","99.8","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 N2 -","- C23 H18 N2 -","- C184 H144 N16 -","8","2","","Charpe, Vaibhav Pramod; Gupta, Mahima; Hwang, Kuo Chu","Visible light-mediated copper catalyzed regioselective diamination of terminal alkynes at room temperature: a facile synthesis of substituted imidazo[1,2-α]pyridines","Green Chemistry","2024","26","3","1329","1337","10.1039/D3GC04062C","","x-ray","1.54184","CuKα","","0.037","0.033","","","0.0805","0.083","","","","","","1.045","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7247903","16.7695","0.0005","8.6997","0.0003","11.0836","0.0003","90","","91.718","0.003","90","","1616.26","0.09","100","0.11","100","0.11","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 N4 -","- C44 H32 N4 -","- C88 H64 N8 -","2","0.5","","Charpe, Vaibhav Pramod; Gupta, Mahima; Hwang, Kuo Chu","Visible light-mediated copper catalyzed regioselective diamination of terminal alkynes at room temperature: a facile synthesis of substituted imidazo[1,2-α]pyridines","Green Chemistry","2024","26","3","1329","1337","10.1039/D3GC04062C","","x-ray","1.54184","CuKα","","0.044","0.0341","","","0.0835","0.0877","","","","","","1.062","","","","has coordinates","290220","2024-03-04","20:32:17",""
"7247904","24.217","0.003","42.642","0.004","8.474","0.001","90","","90","","90","","8750.8","1.7","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C22 H24 Br F N4 O2 -","- C22 H24 Br F N4 O2 -","- C352 H384 Br16 F16 N64 O32 -","16","1","","Bandaru, Ravi Kumar; Giri, Lopamudra; Krishna, Gamidi Rama; Dandela, Rambabu","Novel molecular adducts of an anti-cancer drug vandetanib with enhanced solubility","CrystEngComm","2024","26","3","248","260","10.1039/D3CE01130E","","","0.71073","MoKα","","0.0427","0.0349","","","0.0797","0.0828","","","","","","1.046","","","","has coordinates","289455","2024-02-04","11:41:03",""
"7247905","9.789","0.001","9.937","0.001","12.479","0.001","75.4","0.01","82.79","0.01","75.88","0.03","1136.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H27 Br F N4 O4 -","- C24 H27 Br F N4 O4 -","- C48 H54 Br2 F2 N8 O8 -","2","1","","Bandaru, Ravi Kumar; Giri, Lopamudra; Krishna, Gamidi Rama; Dandela, Rambabu","Novel molecular adducts of an anti-cancer drug vandetanib with enhanced solubility","CrystEngComm","2024","26","3","248","260","10.1039/D3CE01130E","","","0.71073","MoKα","","0.0505","0.0442","","","0.1404","0.1469","","","","","","1.09","","","","has coordinates","289455","2024-02-04","11:41:03",""
"7247906","8.929","0.001","12.655","0.001","28.459","0.001","80.46","0.02","89.09","0.01","71.38","0.03","3002.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H76 Br2 F2 N8 O14.5 -","- C58 H76 Br2 F2 N8 O14.5 -","- C116 H152 Br4 F4 N16 O29 -","2","1","","Bandaru, Ravi Kumar; Giri, Lopamudra; Krishna, Gamidi Rama; Dandela, Rambabu","Novel molecular adducts of an anti-cancer drug vandetanib with enhanced solubility","CrystEngComm","2024","26","3","248","260","10.1039/D3CE01130E","","","0.71073","MoKα","","0.1627","0.0687","","","0.1329","0.167","","","","","","1.019","","","","has coordinates","289455","2024-02-04","11:41:03",""
"7247907","8.866","0.001","14.05","0.001","14.358","0.001","117.44","0.02","94.18","0.03","95.2","0.03","1567.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H42 Br F N4 O7 -","- C31 H42 Br F N4 O7 -","- C62 H84 Br2 F2 N8 O14 -","2","1","","Bandaru, Ravi Kumar; Giri, Lopamudra; Krishna, Gamidi Rama; Dandela, Rambabu","Novel molecular adducts of an anti-cancer drug vandetanib with enhanced solubility","CrystEngComm","2024","26","3","248","260","10.1039/D3CE01130E","","","0.71073","MoKα","","0.0521","0.0384","","","0.0918","0.0979","","","","","","1.023","","","","has coordinates","289455","2024-02-04","11:41:03",""
"7247908","8.913","0.001","12.55","0.001","14.54","0.001","100.34","0.01","96.88","0.01","91.489","0.001","1586.6","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H40 Br F N4 O9 -","- C28 H40 Br F N4 O9 -","- C56 H80 Br2 F2 N8 O18 -","2","1","","Bandaru, Ravi Kumar; Giri, Lopamudra; Krishna, Gamidi Rama; Dandela, Rambabu","Novel molecular adducts of an anti-cancer drug vandetanib with enhanced solubility","CrystEngComm","2024","26","3","248","260","10.1039/D3CE01130E","","","0.71073","MoKα","","0.0758","0.0419","","","0.0902","0.0981","","","","","","1.023","","","","has coordinates","289455","2024-02-04","11:41:03",""
"7247909","10.149","0.001","13.513","0.002","13.857","0.002","113.16","0.01","106.52","0.01","98.22","0.01","1603.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H42 Br F N4 O6 -","- C32 H42 Br F N4 O6 -","- C64 H84 Br2 F2 N8 O12 -","2","1","","Bandaru, Ravi Kumar; Giri, Lopamudra; Krishna, Gamidi Rama; Dandela, Rambabu","Novel molecular adducts of an anti-cancer drug vandetanib with enhanced solubility","CrystEngComm","2024","26","3","248","260","10.1039/D3CE01130E","","","0.71073","MoKα","","0.0263","0.0242","","","0.0645","0.0656","","","","","","1.062","","","","has coordinates","289455","2024-02-04","11:41:03",""
"7247910","11.9478","0.0013","11.6849","0.0013","19.94","0.02","90","","90","","90","","2784","3","298","","298","","570000","","570000","","","","","2","P n a 21","P 2c -2n","33","C6Ph6","Hexaphenylbenzene","","- C42 H30 -","- C42 H30 -","- C168 H120 -","4","1","","Turner, Gemma F.; Stapleton, Nicholas; Brookes, James; Spagnoli, Dino; Sussardi, Alif N.; Jones, Anita C.; McGonigal, Paul R.; Moggach, Stephen A.","The crystal structure of hexaphenylbenzene under high hydrostatic pressure","CrystEngComm","2024","26","4","459","467","10.1039/D3CE01122D","","x-ray","0.71073","MoKα","","0.1403","0.1108","","","0.312","0.3642","","","","","","1.547","","","","has coordinates","289443","2024-02-04","11:38:15",""
"7247911","11.4952","0.0015","19.71","0.03","11.7143","0.0018","90","","91.02","0.013","90","","2654","4","298","2","293","2","1050000","","1050000","","","","","2","P 1 21/c 1","-P 2ybc","14","C6Ph6","Hexaphenylbenzene","","- C42 H30 -","- C42 H30 -","- C168 H120 -","4","1","","Turner, Gemma F.; Stapleton, Nicholas; Brookes, James; Spagnoli, Dino; Sussardi, Alif N.; Jones, Anita C.; McGonigal, Paul R.; Moggach, Stephen A.","The crystal structure of hexaphenylbenzene under high hydrostatic pressure","CrystEngComm","2024","26","4","459","467","10.1039/D3CE01122D","","x-ray","0.71073","MoKα","","0.1852","0.1242","","","0.3226","0.3682","","","","","","1.256","","","","has coordinates","289443","2024-02-04","11:38:15",""
"7247912","11.4968","0.0017","19.231","0.003","11.6579","0.0012","90","","91.196","0.011","90","","2576.9","0.6","298","2","298","2","1740000","","1740000","","","","","2","P 1 21/c 1","-P 2ybc","14","C6Ph6","Hexaphenylbenzene","","- C42 H30 -","- C42 H30 -","- C168 H120 -","4","1","","Turner, Gemma F.; Stapleton, Nicholas; Brookes, James; Spagnoli, Dino; Sussardi, Alif N.; Jones, Anita C.; McGonigal, Paul R.; Moggach, Stephen A.","The crystal structure of hexaphenylbenzene under high hydrostatic pressure","CrystEngComm","2024","26","4","459","467","10.1039/D3CE01122D","","x-ray","0.71073","MoKα","","0.16","0.1136","","","0.3225","0.3667","","","","","","1.374","","","","has coordinates","289443","2024-02-04","11:38:15",""
"7247913","11.4453","0.0014","18.97","0.02","11.5585","0.0017","90","","91.276","0.013","90","","2509","3","298","2","298","2","2320000","","2320000","","","","","2","P 1 21/c 1","-P 2ybc","14","C6Ph6","Hexaphenylbenzene","","- C42 H30 -","- C42 H30 -","- C168 H120 -","4","1","","Turner, Gemma F.; Stapleton, Nicholas; Brookes, James; Spagnoli, Dino; Sussardi, Alif N.; Jones, Anita C.; McGonigal, Paul R.; Moggach, Stephen A.","The crystal structure of hexaphenylbenzene under high hydrostatic pressure","CrystEngComm","2024","26","4","459","467","10.1039/D3CE01122D","","x-ray","0.71073","MoKα","","0.1739","0.1211","","","0.3115","0.3489","","","","","","1.25","","","","has coordinates","289443","2024-02-04","11:38:15",""
"7247914","12.179","0.0017","11.8019","0.0017","20.61","0.03","90","","90","","90","","2962","4","298","","298","","220000","","220000","","","","","2","P n a 21","P 2c -2n","33","C6Ph6","Hexaphenylbenzene","","- C42 H30 -","- C42 H30 -","- C168 H120 -","4","1","","Turner, Gemma F.; Stapleton, Nicholas; Brookes, James; Spagnoli, Dino; Sussardi, Alif N.; Jones, Anita C.; McGonigal, Paul R.; Moggach, Stephen A.","The crystal structure of hexaphenylbenzene under high hydrostatic pressure","CrystEngComm","2024","26","4","459","467","10.1039/D3CE01122D","","x-ray","0.71073","MoKα","","0.1709","0.116","","","0.3033","0.3662","","","","","","1.358","","","","has coordinates","289443","2024-02-04","11:38:15",""
"7247915","12.182","0.0004","11.79","0.0004","20.8728","0.0008","90","","90","","90","","2997.87","0.18","298","","298","","101.325","","101.325","","","","","2","P n a 21","P 2c -2n","33","C6Ph6","Hexaphenylbenzene","","- C42 H30 -","- C42 H30 -","- C168 H120 -","4","1","","Turner, Gemma F.; Stapleton, Nicholas; Brookes, James; Spagnoli, Dino; Sussardi, Alif N.; Jones, Anita C.; McGonigal, Paul R.; Moggach, Stephen A.","The crystal structure of hexaphenylbenzene under high hydrostatic pressure","CrystEngComm","2024","26","4","459","467","10.1039/D3CE01122D","","x-ray","0.71073","MoKα","","0.0561","0.0407","","","0.0946","0.1022","","","","","","1.046","","","","has coordinates","289443","2024-02-04","11:38:15",""
"7247916","9.2164","0.0001","12.1632","0.0002","9.8754","0.0001","90","","96.584","0.001","90","","1099.74","0.02","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H9 Br N16 O16 -","- C10 H9 Br N16 O16 -","- C20 H18 Br2 N32 O32 -","2","1","","Jing, Suming; Deng, Jiahao; Li, Cong; Liu, Yucun; Zhu, Jin; Wang, Yuanyuan; Zhang, Wei; Liu, Jia","High energy explosive with low sensitivity: a new energetic cocrystal based on CL-20 and BMDNP","CrystEngComm","2024","26","8","1126","1132","10.1039/D3CE01118F","","x-ray","1.54184","CuKα","","0.0215","0.0211","","","0.0556","0.0559","","","","","","1.062","","","","has coordinates","290139","2024-03-04","20:06:16",""
"7247917","7.6486","0.0003","16.7161","0.0008","9.7365","0.0004","90","","100.265","0.004","90","","1224.93","0.09","313","2","313","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H14 Br3 Cd N -","- C5 H14 Br3 Cd N -","- C20 H56 Br12 Cd4 N4 -","4","1","","Xiao, Hui; Hu, Wei-Yu; Wang, Qing; Zeng, Cheng-Hui; Li, Hao-Hong; Liu, Haiming; Du, Zi-Yi; He, Chun-Ting","Molecular rotators anchored on a rod-like anionic coordination polymer adhered by charge-assisted hydrogen bonds.","Physical chemistry chemical physics : PCCP","2024","26","5","3974","3980","10.1039/d3cp05597c","","","0.71073","MoKα","","0.0835","0.0493","","","0.1417","0.1588","","","","","","1.043","","","","has coordinates,has disorder","289638","2024-02-04","12:31:03",""
"7247918","7.5549","0.0002","16.4113","0.0006","9.6428","0.0003","90","","100.365","0.003","90","","1176.06","0.07","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H14 Br3 Cd N -","- C5 H14 Br3 Cd N -","- C20 H56 Br12 Cd4 N4 -","4","1","","Xiao, Hui; Hu, Wei-Yu; Wang, Qing; Zeng, Cheng-Hui; Li, Hao-Hong; Liu, Haiming; Du, Zi-Yi; He, Chun-Ting","Molecular rotators anchored on a rod-like anionic coordination polymer adhered by charge-assisted hydrogen bonds.","Physical chemistry chemical physics : PCCP","2024","26","5","3974","3980","10.1039/d3cp05597c","","","0.71073","MoKα","","0.0374","0.0288","","","0.0615","0.0637","","","","","","1.053","","","","has coordinates","289638","2024-02-04","12:31:03",""
"7247919","7.6022","0.0003","16.4869","0.0007","9.6894","0.0004","90","","100.61","0.004","90","","1193.67","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H14 Br3 Cd N -","- C5 H14 Br3 Cd N -","- C20 H56 Br12 Cd4 N4 -","4","1","","Xiao, Hui; Hu, Wei-Yu; Wang, Qing; Zeng, Cheng-Hui; Li, Hao-Hong; Liu, Haiming; Du, Zi-Yi; He, Chun-Ting","Molecular rotators anchored on a rod-like anionic coordination polymer adhered by charge-assisted hydrogen bonds.","Physical chemistry chemical physics : PCCP","2024","26","5","3974","3980","10.1039/d3cp05597c","","","0.71073","MoKα","","0.0556","0.0383","","","0.0849","0.0895","","","","","","1.045","","","","has coordinates,has disorder","289638","2024-02-04","12:31:03",""
"7247920","7.624","0.0003","16.576","0.0008","9.7148","0.0004","90","","100.584","0.004","90","","1206.82","0.09","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H14 Br3 Cd N -","- C5 H14 Br3 Cd N -","- C20 H56 Br12 Cd4 N4 -","4","1","","Xiao, Hui; Hu, Wei-Yu; Wang, Qing; Zeng, Cheng-Hui; Li, Hao-Hong; Liu, Haiming; Du, Zi-Yi; He, Chun-Ting","Molecular rotators anchored on a rod-like anionic coordination polymer adhered by charge-assisted hydrogen bonds.","Physical chemistry chemical physics : PCCP","2024","26","5","3974","3980","10.1039/d3cp05597c","","","0.71073","MoKα","","0.0669","0.0378","","","0.0855","0.0938","","","","","","1.059","","","","has coordinates,has disorder","289638","2024-02-04","12:31:03",""
"7247921","7.5782","0.0002","16.4426","0.0006","9.6674","0.0003","90","","100.513","0.003","90","","1184.39","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H14 Br3 Cd N -","- C5 H14 Br3 Cd N -","- C20 H56 Br12 Cd4 N4 -","4","1","","Xiao, Hui; Hu, Wei-Yu; Wang, Qing; Zeng, Cheng-Hui; Li, Hao-Hong; Liu, Haiming; Du, Zi-Yi; He, Chun-Ting","Molecular rotators anchored on a rod-like anionic coordination polymer adhered by charge-assisted hydrogen bonds.","Physical chemistry chemical physics : PCCP","2024","26","5","3974","3980","10.1039/d3cp05597c","","","0.71073","MoKα","","0.05","0.0304","","","0.0654","0.069","","","","","","1.069","","","","has coordinates,has disorder","289638","2024-02-04","12:31:03",""
"7247922","7.6369","0.0003","16.6462","0.0008","9.7245","0.0004","90","","100.518","0.004","90","","1215.46","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H14 Br3 Cd N -","- C5 H14 Br3 Cd N -","- C20 H56 Br12 Cd4 N4 -","4","1","","Xiao, Hui; Hu, Wei-Yu; Wang, Qing; Zeng, Cheng-Hui; Li, Hao-Hong; Liu, Haiming; Du, Zi-Yi; He, Chun-Ting","Molecular rotators anchored on a rod-like anionic coordination polymer adhered by charge-assisted hydrogen bonds.","Physical chemistry chemical physics : PCCP","2024","26","5","3974","3980","10.1039/d3cp05597c","","","0.71073","MoKα","","0.0655","0.0419","","","0.0947","0.1018","","","","","","1.061","","","","has coordinates,has disorder","289638","2024-02-04","12:31:03",""
"7247923","9.9684","0.0011","10.4769","0.0012","11.0045","0.0012","89.147","0.004","87.966","0.004","62.592","0.004","1019.6","0.2","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C6 H10 N3 O6 Tc -","- C6 H10 N3 O6 Tc -","- C24 H40 N12 O24 Tc4 -","4","4","","Novikov, Anton P.; Safonov, Alexey V.; German, Konstantin E.; Grigoriev, Mikhail S.","What kind of interactions we may get moving from zwitter to “dritter” ions: C–O⋯Re(O4) and Re–O⋯Re(O4) anion⋯anion interactions make structural difference between l-histidinium perrhenate and pertechnetate","CrystEngComm","2024","26","1","61","69","10.1039/D3CE01164J","","","0.71073","MoKα","","0.1041","0.0743","","","0.1584","0.1786","","","","","","1.031","","","","has coordinates","288580","2023-12-31","23:58:23",""
"7247924","9.2915","0.0003","17.0748","0.0005","19.5885","0.0005","90","","90","","90","","3107.73","0.16","100.15","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H10 N3 O6 Re -","- C6 H10 N3 O6 Re -","- C72 H120 N36 O72 Re12 -","12","3","","Novikov, Anton P.; Safonov, Alexey V.; German, Konstantin E.; Grigoriev, Mikhail S.","What kind of interactions we may get moving from zwitter to “dritter” ions: C–O⋯Re(O4) and Re–O⋯Re(O4) anion⋯anion interactions make structural difference between l-histidinium perrhenate and pertechnetate","CrystEngComm","2024","26","1","61","69","10.1039/D3CE01164J","","","0.71073","MoKα","","0.0421","0.0318","","","0.0505","0.0535","","","","","","0.969","","","","has coordinates","288580","2023-12-31","23:58:23",""
"7247925","12.8068","0.0002","9.5159","0.0001","16.9226","0.0002","90","","111.994","0.002","90","","1912.24","0.05","300.15","","300.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Br2 N O5 Zn -","- C11 H9 Br2 N O5 Zn -","- C44 H36 Br8 N4 O20 Zn4 -","4","1","","Meekel, Emily G.; Nicholas, Thomas C.; Slater, Ben; Goodwin, Andrew L.","Torsional flexibility in zinc-benzenedicarboxylate metal-organic frameworks.","CrystEngComm","2024","26","5","673","680","10.1039/d3ce01078c","","","1.54184","CuKα","","0.0327","0.03","","","0.0898","0.0916","","","","","","1.117","","","","has coordinates","289439","2024-02-04","11:37:07",""
"7247926","28.4852","0.0003","28.4852","0.0003","7.9052","0.0001","90","","90","","120","","5554.97","0.11","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C8 H3 Br O4 Zn -","- C8 H3 Br O4 Zn -","- C144 H54 Br18 O72 Zn18 -","18","0.5","","Meekel, Emily G.; Nicholas, Thomas C.; Slater, Ben; Goodwin, Andrew L.","Torsional flexibility in zinc-benzenedicarboxylate metal-organic frameworks.","CrystEngComm","2024","26","5","673","680","10.1039/d3ce01078c","","","1.54184","CuKα","","0.0622","0.0613","","","0.1998","0.201","","","","","","1.133","","","","has coordinates","289439","2024-02-04","11:37:07",""
"7247927","28.4445","0.0005","28.4445","0.0005","7.8224","0.0001","90","","90","","120","","5481.09","0.15","295.15","","295.15","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C8 H3 Cl O4 Zn -","- C8 H3 Cl O4 Zn -","- C144 H54 Cl18 O72 Zn18 -","18","0.5","","Meekel, Emily G.; Nicholas, Thomas C.; Slater, Ben; Goodwin, Andrew L.","Torsional flexibility in zinc-benzenedicarboxylate metal-organic frameworks.","CrystEngComm","2024","26","5","673","680","10.1039/d3ce01078c","","","1.54184","CuKα","","0.0515","0.0492","","","0.1553","0.1576","","","","","","1.124","","","","has coordinates","289439","2024-02-04","11:37:07",""
"7247928","11.0562","0.0002","12.6155","0.0002","15.2102","0.0003","90","","90","","90","","2121.51","0.07","295.15","","295.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 O5 Zn -","- C10 H8 O5 Zn -","- C80 H64 O40 Zn8 -","8","2","","Meekel, Emily G.; Nicholas, Thomas C.; Slater, Ben; Goodwin, Andrew L.","Torsional flexibility in zinc-benzenedicarboxylate metal-organic frameworks.","CrystEngComm","2024","26","5","673","680","10.1039/d3ce01078c","","","0.71073","MoKα","","0.0392","0.0307","","","0.0733","0.0761","","","","","","1.056","","","","has coordinates","289439","2024-02-04","11:37:07",""
"7247929","28.5799","0.0004","28.5799","0.0004","8.0913","0.0001","90","","90","","120","","5723.61","0.13","290.15","","290.15","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C8 H3 I O4 Zn -","- C8 H3 I O4 Zn -","- C144 H54 I18 O72 Zn18 -","18","0.5","","Meekel, Emily G.; Nicholas, Thomas C.; Slater, Ben; Goodwin, Andrew L.","Torsional flexibility in zinc-benzenedicarboxylate metal-organic frameworks.","CrystEngComm","2024","26","5","673","680","10.1039/d3ce01078c","","","1.54184","CuKα","","0.067","0.0666","","","0.2117","0.2121","","","","","","1.118","","","","has coordinates","289439","2024-02-04","11:37:07",""
"7247930","28.4902","0.0004","28.4902","0.0004","7.9073","0.0001","90","","90","","120","","5558.4","0.13","295.01","0.1","295.01","0.1","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C8 H3 Br0.41 Cl0.59 O4 Zn -","- C8 H3 Br0.408 Cl0.592 O4 Zn -","- C144 H54 Br7.344 Cl10.656 O72 Zn18 -","18","0.5","","Meekel, Emily G.; Nicholas, Thomas C.; Slater, Ben; Goodwin, Andrew L.","Torsional flexibility in zinc-benzenedicarboxylate metal-organic frameworks.","CrystEngComm","2024","26","5","673","680","10.1039/d3ce01078c","","x-ray","1.54184","CuKα","","0.056","0.0541","","","0.1769","0.1792","","","","","","1.104","","","","has coordinates,has disorder","289439","2024-02-04","11:37:07",""
"7247931","6.343","","9.959","","23.828","","90","","90","","90","","1505.21","","193","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 Cl O5 -","- C15 H21 Cl O5 -","- C60 H84 Cl4 O20 -","4","1","","Zhao, Jianyou; Zhang, Jiatai; Fang, Pengkai; Wu, Jintao; Wang, Fan; Liu, Zhong-Quan","Electrochemical chlorination of least hindered tertiary and benzylic C(sp3)–H bonds","Green Chemistry","2024","26","1","507","512","10.1039/D3GC03849A","","","1.34138","GaKα","","0.0458","0.0386","","","0.097","0.1011","","","","","","1.06","","","","has coordinates","289566","2024-02-04","12:16:53",""
"7247932","10.3592","0.0002","10.3592","0.0002","20.7675","0.0008","90","","90","","120","","1930.04","0.09","243","2","243","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C6 H9 K5 N10 O6 -","- C6 H9 K5 N10.0005 O6 -","- C24 H36 K20 N40.002 O24 -","4","0.333333","","Jiang, Shuaijie; Zhou, Jianxin; Xu, Yuangang; Lin, Qiuhan; Wang, Pengcheng; Lu, Ming","Regulation of the structure and density of KN5 frameworks with CH3COOK and CF3COOK","CrystEngComm","2024","26","7","951","956","10.1039/D3CE01210G","","","0.71073","MoKα","","0.0353","0.0267","","","0.0573","0.0621","","","","","","1.136","","","","has coordinates,has disorder","290149","2024-03-04","20:08:26",""
"7247933","23.7161","0.0016","7.198","0.0007","20.5953","0.0018","90","","90","","90","","3515.8","0.5","170","","170","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 F18 K8 N10 O12 -","- C12 F18 K8 N10 O12 -","- C48 F72 K32 N40 O48 -","4","1","","Jiang, Shuaijie; Zhou, Jianxin; Xu, Yuangang; Lin, Qiuhan; Wang, Pengcheng; Lu, Ming","Regulation of the structure and density of KN5 frameworks with CH3COOK and CF3COOK","CrystEngComm","2024","26","7","951","956","10.1039/D3CE01210G","","","0.71073","MoKα","","0.1244","0.0728","","","0.1817","0.2271","","","","","","1.023","","","","has coordinates,has disorder","290149","2024-03-04","20:08:26",""
"7247934","12.328","0.002","8.7496","0.0015","15.981","0.003","90","","102.026","0.003","90","","1686","0.5","296.15","","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","R- (3,3'-phenyl)-5,5'6,6',7',8,8'-octahydro-[1,1'-dinaphthalene]-2,2'-diol","","- C39.2 H51.6 O5.6 -","- C32 H30 O2 -","- C64 H60 O4 -","2","1","","Li, Fangxiu; Sun, Yue; Sun, Xiaoxia; Hu, Yu","Self-assembled bamboo-like carbon nanotubes based on chiral H8BINOL sensors to recognize cinchonidine efficiently by diastereoisomer complexes","RSC Advances","2024","14","2","1134","1140","10.1039/D3RA08143E","","","0.71073","MoKα","","0.1243","0.0859","","","0.2423","0.2788","","","","","","1.015","","","","has coordinates,has disorder","288623","2024-01-03","02:33:43",""
"7247935","7.5547","0.0008","10.3453","0.0011","11.0141","0.0012","87.479","0.003","80.687","0.002","70.175","0.001","799.07","0.15","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 Cl N O2 S -","- C16 H16 Cl N O2 S -","- C32 H32 Cl2 N2 O4 S2 -","2","1","","Huang, Yu-Wen; Li, Jia-Zhuo; Yang, Feng; Zhang, Xi-Yu; Wang, Yan-Jing; Meng, Xin-Chao; Leng, Bo-Rong; Wang, De-Cai; Zhu, Yi-Long","Photocatalytic selective synthesis of (E)-β-aminovinyl sulfones and (E)-β-amidovinyl sulfones using Ru(bpy)3Cl2 as the catalyst","RSC Advances","2024","14","1","700","706","10.1039/D3RA08272E","","","0.71073","MoKα","","0.065","0.0489","","","0.1372","0.148","","","","","","1.088","","","","has coordinates","288624","2024-01-03","02:34:10",""
"7247936","11.3419","0.0006","12.6437","0.0007","15.4793","0.0009","89.5519","0.0019","87.0296","0.0019","76.7371","0.0018","2157.7","0.2","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C100 H76 F12 N8 O8 -","- C100 H76 F12 N8 O8 -","- C100 H76 F12 N8 O8 -","1","0.5","","Zhou, Feng-Ji; Zhu, Bao-Lei; Huang, Zhen-Hui; Lin, Ning; Zhang, Zhen-Wei","DBU-catalyzed diastereoselective 1,3-dipolar [3+2] cycloaddition of trifluoroethyl amine-derived isatin ketimines with chalcones: synthesis of 5′-CF3-substituted 3,2′-pyrrolidinyl spirooxindoles","RSC Advances","2024","14","1","548","551","10.1039/D3RA08127C","","","0.71076","MoKα","","0.1225","0.0635","","","0.1481","0.181","","","","","","1.0546","","","","has coordinates","288625","2024-01-03","02:34:44",""
"7247937","6.011","0.003","15.789","0.008","21.392","0.011","73.242","0.006","83.793","0.007","86.176","0.006","1931.3","1.7","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H36 N2 O5 Zn -","- C50 H36 N2 O5 Zn -","- C100 H72 N4 O10 Zn2 -","2","1","","Hossain, Ersad; Hazra, Abhijit; Datta, Sourav; Khan, Samim; Pramanik, Samit; Banerjee, Priyabrata; Mir, Mohammad Hedayetullah; Mukhopadhyay, Subrata","Facile construction of an anthracene-decorated highly luminescent coordination polymer for the selective detection of explosive nitroaromatics and the mutagenic pollutant TNP","RSC Advances","2024","14","1","397","404","10.1039/D3RA06926E","","","0.71073","MoKα","","0.0555","0.0409","","","0.0903","0.0967","","","","","","1.032","","","","has coordinates,has disorder","288626","2024-01-03","02:35:07",""
"7247938","24.5506","0.0014","14.4941","0.0004","24.966","0.0013","90","","125.773","0.008","90","","7207.8","0.9","296","2","296.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28.66667 H21 Cl N2 O3.33333 -","- C28.6667 H21 Cl N2 O3.33333 -","- C344 H252 Cl12 N24 O40 -","12","3","","Zhong, Jialing; Pan, Rihuang; Lin, Xufeng","Enantioselective synthesis of α-tetrasubstituted (1-indolizinyl) (diaryl)-methanamines via chiral phosphoric acid catalysis","RSC Advances","2024","14","2","1106","1113","10.1039/D3RA07636A","","","0.71073","MoKα","","0.0951","0.0516","","","0.1104","0.1289","","","","","","1.008","","","","has coordinates","295862","2024-11-09","12:08:13",""
"7247939","7.2177","0.0003","9.2009","0.0004","27.0007","0.0017","90","","90","","90","","1793.1","0.16","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Mebendazolium mesylate anhydride salt","","- C17 H17 N3 O6 S -","- C17 H17 N3 O6 S -","- C68 H68 N12 O24 S4 -","4","1","","Gutiérrez, Eduardo L.; Godoy, Agustín A.; Brusau, Elena V.; Vega, Daniel; Narda, Griselda E.; Suárez, Sebastián; Di Salvo, Florencia","Mebendazolium mesylate anhydride salt: rational design based on supramolecular assembly, synthesis, and solid-state characterization","RSC Advances","2024","14","1","181","192","10.1039/D3RA07422F","","x-ray","1.54184","CuKα","","0.0773","0.0628","","","0.1717","0.1814","","","","","","1.123","","","","has coordinates","288628","2024-01-03","02:36:08",""
"7247940","15.6599","0.0013","16.5029","0.0014","17.2608","0.0014","90","","90","","90","","4460.8","0.6","240","2","240","2","","","","","","","synthesis","5","P 21 21 21","P 2ac 2ab","19","Phe(Me)ASC","cyclo(Phe(Me)-Oxz-D-Val-Thz-Ile-Oxz-D-Val-Thz).MeCN","","- C42 H55 N9 O6 S2 -","- C42 H55 N9 O6 S2 -","- C168 H220 N36 O24 S8 -","4","1","","Asano, Akiko; Kawanami, Yukiko; Fujita, Mao; Yano, Yuta; Ide, Rio; Minoura, Katsuhiko; Kato, Takuma; Doi, Mitsunobu","Electronic substituent effect on the conformation of a phenylalanine-incorporated cyclic peptide","RSC Advances","2024","14","2","1062","1071","10.1039/D3RA07836A","","","0.71073","MoKα","","0.0717","0.0681","","","0.1719","0.1749","","","","","","1.096","","","","has coordinates","288629","2024-01-03","02:37:30",""
"7247941","13.7742","0.0006","21.713","0.0016","15.1389","0.0006","90","","91.337","0.004","90","","4526.5","0.4","100","","100","","","","","","","","synthesis","6","P 1 21 1","P 2yb","4","","Phe(4I)_ASC","","- C41 H53.5 I N8.5 O6.5 S2 -","- C41 H53 I N8.5 O6.5 S2 -","- C164 H212 I4 N34 O26 S8 -","4","2","","Asano, Akiko; Kawanami, Yukiko; Fujita, Mao; Yano, Yuta; Ide, Rio; Minoura, Katsuhiko; Kato, Takuma; Doi, Mitsunobu","Electronic substituent effect on the conformation of a phenylalanine-incorporated cyclic peptide","RSC Advances","2024","14","2","1062","1071","10.1039/D3RA07836A","","","1.54184","CuKα","","0.1296","0.1093","","","0.293","0.3125","","","","","","1.17","","","","has coordinates","295677","2024-10-30","18:34:33",""
"7247942","9.4424","0.0004","9.8919","0.0004","12.937","0.0006","80.097","0.004","80.867","0.004","84.776","0.004","1172.74","0.09","100","","100","","","","","","","","synthesis","6","P 1","P 1","1","","Phe(4cf3)_ASC","","- C43 H53 F3 N8 O7 S2 -","- C43 H53 F3 N8 O7 S2 -","- C43 H53 F3 N8 O7 S2 -","1","1","","Asano, Akiko; Kawanami, Yukiko; Fujita, Mao; Yano, Yuta; Ide, Rio; Minoura, Katsuhiko; Kato, Takuma; Doi, Mitsunobu","Electronic substituent effect on the conformation of a phenylalanine-incorporated cyclic peptide","RSC Advances","2024","14","2","1062","1071","10.1039/D3RA07836A","","","1.54184","CuKα","","0.1541","0.1268","","","0.355","0.3792","","","","","","1.5","","","","has coordinates","288629","2024-01-03","02:37:31",""
"7247943","9.3885","0.0001","10.0778","0.0002","13.0183","0.0002","82.659","0.001","86.078","0.001","80.131","0.001","1202.19","0.03","100","","100","","","","","","","","synthesis","5","P 1","P 1","1","","Phe(tbu)_ASC","","- C45 H63 N9 O7 S2 -","- C45 H63 N9 O7 S2 -","- C45 H63 N9 O7 S2 -","1","1","","Asano, Akiko; Kawanami, Yukiko; Fujita, Mao; Yano, Yuta; Ide, Rio; Minoura, Katsuhiko; Kato, Takuma; Doi, Mitsunobu","Electronic substituent effect on the conformation of a phenylalanine-incorporated cyclic peptide","RSC Advances","2024","14","2","1062","1071","10.1039/D3RA07836A","","","1.54184","CuKα","","0.0478","0.0462","","","0.1315","0.1343","","","","","","1.047","","","","has coordinates","288629","2024-01-03","02:37:31",""
"7247944","15.648","0.0001","16.8169","0.0002","16.1537","0.0002","90","","95.683","0.001","90","","4229.97","0.08","100","","100","","","","","","","","synthesis","6","P 1 21 1","P 2yb","4","","Phe(4Br)_ASC","","- C40 H50.5 Br N8.5 O6 S2 -","- C40 H50.5 Br N8.5 O6 S2 -","- C160 H202 Br4 N34 O24 S8 -","4","2","","Asano, Akiko; Kawanami, Yukiko; Fujita, Mao; Yano, Yuta; Ide, Rio; Minoura, Katsuhiko; Kato, Takuma; Doi, Mitsunobu","Electronic substituent effect on the conformation of a phenylalanine-incorporated cyclic peptide","RSC Advances","2024","14","2","1062","1071","10.1039/D3RA07836A","","","1.54184","CuKα","","0.0828","0.0719","","","0.1901","0.2378","","","","","","1.069","","","","has coordinates","295677","2024-10-30","18:34:33",""
"7247945","15.6272","0.0002","16.6962","0.0002","16.1368","0.0002","90","","95.44","0.001","90","","4191.37","0.09","90","","90","","","","","","","","","6","P 1 21 1","P 2yb","4","","Phe(4Cl)_ASC","","- C40 H50.5 Cl N8.5 O6 S2 -","- C40 H50.5 Cl N8.5 O6 S2 -","- C160 H202 Cl4 N34 O24 S8 -","4","2","","Asano, Akiko; Kawanami, Yukiko; Fujita, Mao; Yano, Yuta; Ide, Rio; Minoura, Katsuhiko; Kato, Takuma; Doi, Mitsunobu","Electronic substituent effect on the conformation of a phenylalanine-incorporated cyclic peptide","RSC Advances","2024","14","2","1062","1071","10.1039/D3RA07836A","","","1.54184","CuKα","","0.0436","0.0428","","","0.1329","0.1337","","","","","","0.718","","","","has coordinates","288629","2024-01-03","02:37:31",""
"7247946","10.2257","0.0009","14.332","0.0016","14.3731","0.0014","106.76","0.004","110.599","0.004","105.352","0.004","1723.2","0.3","150","","150","","","","","","","","","7","P 1","P 1","1","","","","- C20 H52.78 Cr2 Cu4 Mo12 N12 O61.39 -","- C20 H50.8 Cr2 Cu4 Mo12 N12 O61.4 -","- C20 H50.8 Cr2 Cu4 Mo12 N12 O61.4 -","1","1","","Tan, Hong-Ru; Zhou, Xiang; Gong, Tengfei; You, Hanqi; Zheng, Qi; Zhao, Sheng-Yin; Xuan, Weimin","Anderson-type polyoxometalate-based metal–organic framework as an efficient heterogeneous catalyst for selective oxidation of benzylic C–H bonds","RSC Advances","2024","14","1","364","372","10.1039/D3RA07120K","","x-ray","0.71073","MoKα","","0.0587","0.0506","","","0.1169","0.1251","","","","","","1.026","","","","has coordinates,has disorder","288630","2024-01-03","02:38:15",""
"7247947","9.515","0.003","12.609","0.004","11.115","0.004","90","","103.185","0.008","90","","1298.4","0.7","296.25","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 N6 O -","- C10 H20 N6 O -","- C40 H80 N24 O4 -","4","1","","Jiang, Tianyu; Xia, Honglei; Zhang, Wenquan; Cai, Ziwu; Song, Siwei; Liu, Tianlin","Can cage-like cations function as antagonistic ions towards pentazolate anions?","CrystEngComm","2024","26","7","977","984","10.1039/D3CE01168B","","","0.71073","MoKα","","0.1561","0.0596","","","0.1493","0.2125","","","","","","1.01","","","","has coordinates","290153","2024-03-04","20:09:44",""
"7247948","6.2573","0.0006","13.544","0.0013","7.2073","0.0009","90","","92.963","0.011","90","","609.99","0.11","293","2","293.15","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C6 H16 N12 O -","- C6 H16 N12 O -","- C12 H32 N24 O2 -","2","0.5","","Jiang, Tianyu; Xia, Honglei; Zhang, Wenquan; Cai, Ziwu; Song, Siwei; Liu, Tianlin","Can cage-like cations function as antagonistic ions towards pentazolate anions?","CrystEngComm","2024","26","7","977","984","10.1039/D3CE01168B","","","1.54184","CuKα","","0.0718","0.0637","","","0.1799","0.2043","","","","","","1.056","","","","has coordinates","290153","2024-03-04","20:09:44",""
"7247949","14.282","0.001","22.011","0.001","6.624","0.001","90","","90","","90","","2082.3","0.4","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[(AgBr)2(4-pica)]n","","- C6 H8 Ag2 Br2 N2 -","- C6 H8 Ag2 Br2 N2 -","- C48 H64 Ag16 Br16 N16 -","8","1","","Zuffa, Caterina; Cappuccino, Chiara; Casali, Lucia; Emmerling, Franziska; Maini, Lucia","Liquid reagents are not enough for liquid assisted grinding in the synthesis of [(AgBr)(<i>n</i>-pica)]<sub><i>n</i></sub>.","Physical chemistry chemical physics : PCCP","2024","26","6","5010","5019","10.1039/d3cp04791a","powder diffraction","x-ray","1.535","CuKα","","","","","","","","","0.0337","1.08003","","","","","","","has coordinates","290283","2024-03-04","20:45:56",""
"7247950","24.605","0.003","6.2851","0.0005","14.305","0.0012","90","","110.938","0.009","90","","2066.1","0.4","293","2","293","2","","","","","","","solvothermal synthesis","5","C 1 2/c 1","-C 2yc","15","","[(AgBr)2(3-pica)]n","","- C6 H8 Ag2 Br2 N2 -","- C6 H8 Ag2 Br2 N2 -","- C48 H64 Ag16 Br16 N16 -","8","1","","Zuffa, Caterina; Cappuccino, Chiara; Casali, Lucia; Emmerling, Franziska; Maini, Lucia","Liquid reagents are not enough for liquid assisted grinding in the synthesis of [(AgBr)(<i>n</i>-pica)]<sub><i>n</i></sub>.","Physical chemistry chemical physics : PCCP","2024","26","6","5010","5019","10.1039/d3cp04791a","","x-ray","0.71073","MoKα","","0.1742","0.0726","","","0.0977","0.1277","","","","","","0.991","","","","has coordinates","290283","2024-03-04","20:45:57",""
"7247951","12.387","0.003","6.2596","0.0017","33.747","0.009","90","","91.613","0.003","90","","2615.6","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Fe O4 Se2 -","- C28 H26 Fe O4 Se2 -","- C112 H104 Fe4 O16 Se8 -","4","1","","Yang, Zhuo; Wang, Jinshan; Li, Aimin; Wang, Chao; Ji, Wei; Pires, Elísabet; Yang, Wenzhong; Jing, Su","Ferrocenylselenoether and its cuprous cluster modified TiO2 as visible-light photocatalyst for the synergistic transformation of N-cyclic organics and Cr(vi)","RSC Advances","2024","14","2","1488","1500","10.1039/D3RA07390D","","","0.71073","MoKα","","0.1038","0.0785","","","0.1908","0.1999","","","","","","1.101","","","","has coordinates","288672","2024-01-04","02:24:50",""
"7247952","5.0351","0.0002","25.7114","0.001","8.667","0.0003","90","","106.89","0.004","90","","1073.63","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H15 N3 O4 -","- C8 H15 N3 O4 -","- C32 H60 N12 O16 -","4","2","","Fu, Jinqiu; Cai, Mengyang; Shi, Yuzhong; Hou, Yihang; Guo, Rongxi; Wang, Chiyi; Zhao, Jingjing; Zhuang, Wei; Ying, Hanjie; Yang, Pengpeng; Zhang, Keke","Discovery and exploration of new solid forms of dipeptide: l-alanyl-l-glutamine","CrystEngComm","2024","26","7","943","950","10.1039/D3CE00957B","","x-ray","1.54184","CuKα","","0.0561","0.0505","","","0.1278","0.1334","","","","","","1.054","","","","has coordinates,has disorder","290152","2024-03-04","20:09:31",""
"7247953","5.0339","0.0002","16.1821","0.0008","16.2812","0.0007","90","","90","","90","","1326.25","0.1","200","2","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H15 N3 O4 -","- C8 H15 N3 O4 -","- C32 H60 N12 O16 -","4","1","","Fu, Jinqiu; Cai, Mengyang; Shi, Yuzhong; Hou, Yihang; Guo, Rongxi; Wang, Chiyi; Zhao, Jingjing; Zhuang, Wei; Ying, Hanjie; Yang, Pengpeng; Zhang, Keke","Discovery and exploration of new solid forms of dipeptide: l-alanyl-l-glutamine","CrystEngComm","2024","26","7","943","950","10.1039/D3CE00957B","","","1.54184","CuKα","","0.044","0.0408","","","0.1029","0.1062","","","","","","1.066","","","","has coordinates","290152","2024-03-04","20:09:31",""
"7247954","4.9438","0.0001","17.0476","0.0003","8.7107","0.0002","90","","105.326","0.002","90","","708.03","0.03","113.15","","113.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H21 N3 O5 S -","- C10 H21 N3 O5 S -","- C20 H42 N6 O10 S2 -","2","1","","Fu, Jinqiu; Cai, Mengyang; Shi, Yuzhong; Hou, Yihang; Guo, Rongxi; Wang, Chiyi; Zhao, Jingjing; Zhuang, Wei; Ying, Hanjie; Yang, Pengpeng; Zhang, Keke","Discovery and exploration of new solid forms of dipeptide: l-alanyl-l-glutamine","CrystEngComm","2024","26","7","943","950","10.1039/D3CE00957B","","x-ray","0.71073","MoKα","","0.0369","0.0338","","","0.0868","0.0886","","","","","","1.044","","","","has coordinates","290152","2024-03-04","20:09:31",""
"7247955","5.024","0.0001","8.6623","0.0003","14.2346","0.0009","96.682","0.004","95.901","0.004","106.738","0.003","583.12","0.05","294.15","","294.15","","","","","","","","","4","P 1","P 1","1","","","","- C8 H15 N3 O4 -","- C8 H15 N3 O4 -","- C16 H30 N6 O8 -","2","2","","Fu, Jinqiu; Cai, Mengyang; Shi, Yuzhong; Hou, Yihang; Guo, Rongxi; Wang, Chiyi; Zhao, Jingjing; Zhuang, Wei; Ying, Hanjie; Yang, Pengpeng; Zhang, Keke","Discovery and exploration of new solid forms of dipeptide: l-alanyl-l-glutamine","CrystEngComm","2024","26","7","943","950","10.1039/D3CE00957B","","x-ray","0.71073","MoKα","","0.0826","0.0771","","","0.2056","0.2189","","","","","","1.084","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7247956","10.066","0.0005","16.1694","0.0007","16.1972","0.0006","90","","90","","90","","2636.3","0.2","113.15","","113.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H21 N3 O5 -","- C10 H21 N3 O5 -","- C80 H168 N24 O40 -","8","2","","Fu, Jinqiu; Cai, Mengyang; Shi, Yuzhong; Hou, Yihang; Guo, Rongxi; Wang, Chiyi; Zhao, Jingjing; Zhuang, Wei; Ying, Hanjie; Yang, Pengpeng; Zhang, Keke","Discovery and exploration of new solid forms of dipeptide: l-alanyl-l-glutamine","CrystEngComm","2024","26","7","943","950","10.1039/D3CE00957B","","x-ray","0.71073","MoKα","","0.0914","0.0587","","","0.1195","0.1375","","","","","","1.03","","","","has coordinates,has disorder","290152","2024-03-04","20:09:31",""
"7247957","5.0124","0.0003","15.2769","0.001","16.3628","0.001","90","","90","","90","","1252.96","0.13","294.15","","294.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H19 N3 O6 -","- C8 H19 N3 O6 -","- C32 H76 N12 O24 -","4","1","","Fu, Jinqiu; Cai, Mengyang; Shi, Yuzhong; Hou, Yihang; Guo, Rongxi; Wang, Chiyi; Zhao, Jingjing; Zhuang, Wei; Ying, Hanjie; Yang, Pengpeng; Zhang, Keke","Discovery and exploration of new solid forms of dipeptide: l-alanyl-l-glutamine","CrystEngComm","2024","26","7","943","950","10.1039/D3CE00957B","","x-ray","0.71073","MoKα","","0.0928","0.0559","","","0.11","0.1313","","","","","","1.035","","","","has coordinates,has disorder","290152","2024-03-04","20:09:31",""
"7247958","7.3734","0.0018","10.207","0.002","21.402","0.005","99.812","0.005","98.717","0.005","102.962","0.006","1516.2","0.6","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Domperidone nicotinate hydrate","Domperidone nicotinate hydrate","","- C28 H33 Cl N6 O6.81 -","- C28 H33 Cl N6 O6.805 -","- C56 H66 Cl2 N12 O13.61 -","2","1","","Nechipadappu, Sunil Kumar; Swain, Debasish","New drug–drug and drug–nutraceutical salts of anti-emetic drug domperidone: structural and physicochemical aspects of new salts","CrystEngComm","2024","26","7","926","942","10.1039/D3CE01000G","","","0.71073","MoKα","","0.1265","0.0585","","","0.1594","0.2079","","","","","","1.016","","","","has coordinates,has disorder","290150","2024-03-04","20:08:39",""
"7247959","9.3478","0.0002","12.5278","0.0002","25.5542","0.0004","90","","91.676","0.001","90","","2991.3","0.09","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Domperidone mandelate dihydrate","Domperidone mandelate dihydrate","","- C30 H36 Cl N5 O7 -","- C30 H36 Cl N5 O7 -","- C120 H144 Cl4 N20 O28 -","4","1","","Nechipadappu, Sunil Kumar; Swain, Debasish","New drug–drug and drug–nutraceutical salts of anti-emetic drug domperidone: structural and physicochemical aspects of new salts","CrystEngComm","2024","26","7","926","942","10.1039/D3CE01000G","","","0.71073","MoKα","","0.1754","0.0588","","","0.1392","0.1928","","","","","","0.943","","","","has coordinates,has disorder","290150","2024-03-04","20:08:39",""
"7247960","9.454","0.002","12.248","0.003","12.77","0.003","90.05","0.007","107.616","0.006","98.32","0.006","1392.9","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Domperidone mandelate","Domperidone mandelate","","- C30 H32.24 Cl N5 O5 -","- C30 H32.237 Cl N5 O5 -","- C60 H64.474 Cl2 N10 O10 -","2","1","","Nechipadappu, Sunil Kumar; Swain, Debasish","New drug–drug and drug–nutraceutical salts of anti-emetic drug domperidone: structural and physicochemical aspects of new salts","CrystEngComm","2024","26","7","926","942","10.1039/D3CE01000G","","","0.71073","MoKα","","0.1641","0.0666","","","0.1591","0.2057","","","","","","1.029","","","","has coordinates,has disorder","290150","2024-03-04","20:08:39",""
"7247961","7.5379","0.0004","11.3926","0.0006","15.869","0.0008","99.679","0.002","102.801","0.002","91.935","0.002","1306.4","0.12","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Domperidone orotate","Domperidone orotate","","- C27 H28 Cl N7 O6 -","- C27 H28 Cl N7 O6 -","- C54 H56 Cl2 N14 O12 -","2","1","","Nechipadappu, Sunil Kumar; Swain, Debasish","New drug–drug and drug–nutraceutical salts of anti-emetic drug domperidone: structural and physicochemical aspects of new salts","CrystEngComm","2024","26","7","926","942","10.1039/D3CE01000G","","","0.71073","MoKα","","0.1688","0.0545","","","0.1162","0.1545","","","","","","0.927","","","","has coordinates","290150","2024-03-04","20:08:39",""
"7247962","7.4744","0.0002","10.1384","0.0002","21.5088","0.0005","102.006","0.0007","94.2351","0.0008","104.624","0.0009","1528.79","0.06","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Domperidone salicylate hydrate","Domperidone salicylate hydrate","","- C58 H70 Cl2 N10 O15 -","- C58 H70 Cl2 N10 O15 -","- C58 H70 Cl2 N10 O15 -","1","0.5","","Nechipadappu, Sunil Kumar; Swain, Debasish","New drug–drug and drug–nutraceutical salts of anti-emetic drug domperidone: structural and physicochemical aspects of new salts","CrystEngComm","2024","26","7","926","942","10.1039/D3CE01000G","","","0.71073","MoKα","","0.1703","0.0572","","","0.1423","0.1751","","","","","","1.014","","","","has coordinates","290150","2024-03-04","20:08:39",""
"7247963","7.3045","0.0002","10.2362","0.0002","21.8241","0.0005","80.9935","0.0007","82.5939","0.0007","79.5884","0.0007","1576.61","0.06","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Domperidone mandelate hydrate","Domperidone mandelate hydrate","","- C30 H36 Cl N5 O7.27 -","- C30 H36 Cl N5 O7.268 -","- C60 H72 Cl2 N10 O14.536 -","2","1","","Nechipadappu, Sunil Kumar; Swain, Debasish","New drug–drug and drug–nutraceutical salts of anti-emetic drug domperidone: structural and physicochemical aspects of new salts","CrystEngComm","2024","26","7","926","942","10.1039/D3CE01000G","","","0.71073","MoKα","","0.1624","0.053","","","0.1446","0.1887","","","","","","0.982","","","","has coordinates","290150","2024-03-04","20:08:39",""
"7247964","14.471","0.005","17.466","0.006","11.749","0.004","90","","92.939","0.006","90","","2965.7","1.8","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Domperidone nicotinate hydrate","Domperidone nicotinate hydrate","","- C56 H66 Cl2 N12 O13 -","- C56 H66 Cl2 N12 O13 -","- C112 H132 Cl4 N24 O26 -","2","0.5","","Nechipadappu, Sunil Kumar; Swain, Debasish","New drug–drug and drug–nutraceutical salts of anti-emetic drug domperidone: structural and physicochemical aspects of new salts","CrystEngComm","2024","26","7","926","942","10.1039/D3CE01000G","","","0.71073","MoKα","","0.1473","0.0687","","","0.1861","0.2394","","","","","","1.015","","","","has coordinates,has disorder","290150","2024-03-04","20:08:39",""
"7247965","9.7232","0.0002","9.501","0.0002","31.7204","0.0005","90","","92.0116","0.0007","90","","2928.53","0.1","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Domperidone aspirin","Domperidone aspirin","","- C31 H32 Cl N5 O6 -","- C31 H32 Cl N5 O6 -","- C124 H128 Cl4 N20 O24 -","4","1","","Nechipadappu, Sunil Kumar; Swain, Debasish","New drug–drug and drug–nutraceutical salts of anti-emetic drug domperidone: structural and physicochemical aspects of new salts","CrystEngComm","2024","26","7","926","942","10.1039/D3CE01000G","","","0.71073","MoKα","","0.0894","0.0532","","","0.1297","0.1508","","","","","","1.045","","","","has coordinates","290150","2024-03-04","20:08:39",""
"7247966","12.929","0.003","3.949","0.0008","13.092","0.003","90","","103.7","0.03","90","","649.4","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H12 O -","- C20 H12 O -","- C40 H24 O2 -","2","1","","Bao, Yishu; Ma, Siyuan; Zhu, Jin; Dai, Zonghao; Zhou, Qikun; Yang, Xiuqin; Zhou, Qingfa; Yang, Fulai","TfOH-catalyzed transfer hydrogenation reaction using 1-tetralone as a novel dihydrogen source","Green Chemistry","2024","26","3","1356","1362","10.1039/D3GC04699K","","","0.71073","MoKα","","0.2159","0.0612","","","0.0674","0.1006","","","","","","0.931","","","","has coordinates","290222","2024-03-04","20:32:29",""
"7247967","12.4945","0.0001","12.4945","0.0001","12.4945","0.0001","90","","90","","90","","1950.55","0.03","293","2","293","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- Ca2.855 Ga3.045 Nb1.665 O12 Yb0.0325 -","- Ca2.8548 Ga3.0444 Nb1.665 O12 Yb0.0324 -","- Ca22.8384 Ga24.3552 Nb13.32 O96 Yb0.2592 -","8","0.0833333","","Li, Xiaoheng; Lu, Dazhi; Wang, Shuxian; Wu, Kui; Yu, Haohai; Li, Jing; Zhang, Huaijin","Growth of 60 mm-diameter Yb:CNGG single crystals with disordered coordination structure for high-energy laser systems","CrystEngComm","2024","26","5","697","703","10.1039/D3CE01151H","","","0.71073","MoKα","","0.0179","0.0178","","","0.0558","0.0559","","","","","","1.046","","","","has coordinates","289441","2024-02-04","11:37:27",""
"7247968","10.196","0.005","12.292","0.005","13.672","0.005","71.38","0.005","73.265","0.005","66.095","0.005","1459.4","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 Cu N6 O8 -","- C23 H22 Cu N6 O8 -","- C46 H44 Cu2 N12 O16 -","2","1","","Oliveira, Willian X. C.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Effects on the magnetic interaction caused by molecular recognition in complexes of 1,2-azole-based oxamate and [Cu(bpca)]+ units","CrystEngComm","2024","26","5","647","665","10.1039/D3CE01180A","","","0.71073","MoKα","","0.0395","0.0336","","","0.087","0.0908","","","","","","1.096","","","","has coordinates","289436","2024-02-04","11:36:30",""
"7247969","10.18","0.001","10.728","0.001","19.078","0.0013","85.594","0.007","77.042","0.007","81.97","0.008","2008.3","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H34 Cu2 N10 O13 -","- C37 H34 Cu2 N10 O13 -","- C74 H68 Cu4 N20 O26 -","2","1","","Oliveira, Willian X. C.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Effects on the magnetic interaction caused by molecular recognition in complexes of 1,2-azole-based oxamate and [Cu(bpca)]+ units","CrystEngComm","2024","26","5","647","665","10.1039/D3CE01180A","","","0.71073","MoKα","","0.0774","0.0584","","","0.1584","0.1773","","","","","","1.033","","","","has coordinates,has disorder","289436","2024-02-04","11:36:30",""
"7247970","9.6099","0.0006","23.7989","0.0016","11.1127","0.0007","90","","96.2","0.006","90","","2526.7","0.3","280","2","280","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Cu N6 O7 -","- C25 H24 Cu N6 O7 -","- C100 H96 Cu4 N24 O28 -","4","1","","Oliveira, Willian X. C.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Effects on the magnetic interaction caused by molecular recognition in complexes of 1,2-azole-based oxamate and [Cu(bpca)]+ units","CrystEngComm","2024","26","5","647","665","10.1039/D3CE01180A","","","0.71073","MoKα","","0.0685","0.0469","","","0.1041","0.1141","","","","","","1.041","","","","has coordinates","289436","2024-02-04","11:36:30",""
"7247971","14.3344","0.0008","9.9511","0.0004","34.0401","0.0015","90","","96.508","0.005","90","","4824.3","0.4","120","2","120","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C47 H35 Cu2 N12 O14.48 -","- C47 H35 Cu2 N12 O14.464 -","- C188 H140 Cu8 N48 O57.856 -","4","1","","Oliveira, Willian X. C.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Effects on the magnetic interaction caused by molecular recognition in complexes of 1,2-azole-based oxamate and [Cu(bpca)]+ units","CrystEngComm","2024","26","5","647","665","10.1039/D3CE01180A","","","0.71073","MoKα","","0.0845","0.0692","","","0.1647","0.175","","","","","","1.088","","","","has coordinates,has disorder","289436","2024-02-04","11:36:30",""
"7247972","9.2705","0.0004","10.1686","0.0005","20.8317","0.0012","81.868","0.004","82.682","0.004","86.369","0.004","1926.13","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H22 Cu2 N8 O8 -","- C35 H22 Cu2 N8 O8 -","- C70 H44 Cu4 N16 O16 -","2","1","","Oliveira, Willian X. C.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Effects on the magnetic interaction caused by molecular recognition in complexes of 1,2-azole-based oxamate and [Cu(bpca)]+ units","CrystEngComm","2024","26","5","647","665","10.1039/D3CE01180A","","","1.54184","CuKα","","0.0824","0.0562","","","0.1318","0.1439","","","","","","0.985","","","","has coordinates,has disorder","289436","2024-02-04","11:36:30",""
"7247973","25.3903","0.0015","14.1304","0.0006","9.1996","0.0006","90","","99.658","0.005","90","","3253.8","0.3","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H9 Br Hg I2 N2 O -","- C12 H9 Br Hg I2 N2 O -","- C96 H72 Br8 Hg8 I16 N16 O8 -","8","1","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.0862","0.064","","","0.1406","0.1517","","","","","","1.023","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247974","22.68","0.002","4.9699","0.0003","27.573","0.003","90","","123.819","0.007","90","","2582.1","0.4","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Br2 Cl2 Hg N4 O2 -","- C24 H18 Br2 Cl2 Hg N4 O2 -","- C96 H72 Br8 Cl8 Hg4 N16 O8 -","4","0.5","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.0956","0.0763","","","0.1102","0.1248","","","","","","1.004","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247975","4.5421","0.0003","21.7134","0.0019","19.3708","0.0013","90","","92.541","0.006","90","","1908.6","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Hg3 I8 N4 O2 -","- C24 H18 Hg3 I8 N4 O2 -","- C48 H36 Hg6 I16 N8 O4 -","2","0.5","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.0815","0.064","","","0.1055","0.1276","","","","","","0.912","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247976","4.5326","0.0004","21.434","0.0012","19.1582","0.0016","90","","92.076","0.007","90","","1860","0.2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Br2 Hg3 I6 N4 O2 -","- C24 H18 Br2 Hg3 I6 N4 O2 -","- C48 H36 Br4 Hg6 I12 N8 O4 -","2","0.5","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.08","0.0528","","","0.1174","0.1283","","","","","","1.028","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247977","38.52","0.007","4.8018","0.0008","14.841","0.002","90","","100.118","0.013","90","","2702.4","0.8","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Cl2 Hg I2 N4 O2 -","- C24 H18 Cl2 Hg I2 N4 O2 -","- C96 H72 Cl8 Hg4 I8 N16 O8 -","4","0.5","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.1476","0.0719","","","0.1196","0.1426","","","","","","0.909","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247978","25.08","0.006","14.097","0.004","9.2","0.002","90","","100.394","0.018","90","","3199.3","1.4","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H9 Cl Hg I2 N2 O -","- C12 H9 Cl Hg I2 N2 O -","- C96 H72 Cl8 Hg8 I16 N16 O8 -","8","1","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.0986","0.0861","","","0.1658","0.1952","","","","","","0.895","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247979","24.3489","0.0018","4.92","0.0006","28.395","0.002","90","","125.751","0.004","90","","2760.6","0.5","294","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Br2 Hg I2 N4 O2 -","- C24 H18 Br2 Hg I2 N4 O2 -","- C96 H72 Br8 Hg4 I8 N16 O8 -","4","0.5","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.0772","0.0489","","","0.1203","0.128","","","","","","0.885","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247980","23.569","0.003","4.9189","0.0004","27.722","0.003","90","","124.465","0.007","90","","2649.8","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Br4 Hg N4 O2 -","- C24 H18 Br4 Hg N4 O2 -","- C96 H72 Br16 Hg4 N16 O8 -","4","0.5","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.0909","0.0705","","","0.1562","0.1761","","","","","","1.011","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247981","23.266","0.003","4.9212","0.0004","27.288","0.003","90","","124.251","0.008","90","","2582.6","0.5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Br2 Cl2 Hg N4 O2 -","- C24 H18 Br2 Cl2 Hg N4 O2 -","- C96 H72 Br8 Cl8 Hg4 N16 O8 -","4","0.5","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.1017","0.0701","","","0.168","0.1853","","","","","","0.971","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247982","4.5347","0.0004","21.3006","0.0012","19.0448","0.0015","90","","91.533","0.007","90","","1838.9","0.2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Cl2 Hg3 I6 N4 O2 -","- C24 H18 Cl2 Hg3 I6 N4 O2 -","- C48 H36 Cl4 Hg6 I12 N8 O4 -","2","0.5","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.915","0.0906","","","0.1101","0.1419","","","","","","0.939","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247983","8.0015","0.0012","9.2079","0.0013","12.4641","0.0018","98.279","0.012","100.092","0.012","108.027","0.011","840.2","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Hg2 I6 N8 O4 -","- C20 H18 Hg2 I6 N8 O4 -","- C20 H18 Hg2 I6 N8 O4 -","1","0.5","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.0857","0.0627","","","0.1611","0.1713","","","","","","0.926","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247984","5.1554","0.0001","8.9641","0.0003","9.1377","0.0004","100.539","0.003","104.874","0.003","90.936","0.002","400.36","0.02","168","2","168","2","","","","","","","","5","P -1","-P 1","2","sodiun zincophosphate chloride","","","- Cl0.5 Na4.5 O8 P2 Zn -","- Cl0.5 Na4.5 O8 P2 Zn -","- Cl Na9 O16 P4 Zn2 -","2","1","","Yakubovich, Olga; Kiriukhina, Galina; Volkov, Anatoly; Simonov, Sergey; Yapaskurt, Vasiliy; Dimitrova, Olga","Crystal chemistry and predicted ionic conductivity of hydrothermally synthesized Na9Zn2(PO4)4Cl","CrystEngComm","2024","26","6","848","855","10.1039/D3CE01242E","","","0.71073","MoKα","","0.0175","0.0167","","","0.045","0.0454","","","","","","1.188","","","","has coordinates","290146","2024-03-04","20:07:47",""
"7247985","7.6256","0.0006","28.525","0.002","14.6246","0.0011","90","","102.751","0.004","90","","3102.7","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35.5 H40 Cl N O6 -","- C35.5 H40 Cl N O6 -","- C142 H160 Cl4 N4 O24 -","4","2","","Hobson, Adrian D.; Zhu, Haizhong; Qiu, Wei; Judge, Russell; Longenecker, Kenton","Minimising the payload solvent exposed hydrophobic surface area optimises the antibody-drug conjugate properties","RSC Medicinal Chemistry","2024","","","","","10.1039/D3MD00540B","","","1.54178","CuKα","","0.0454","0.0411","","","0.0987","0.1013","","","","","","1.052","","","","has coordinates","288993","2024-01-10","00:52:02",""
"7247986","13.7163","0.0005","11.38","0.0003","18.1174","0.0005","90","","104.795","0.003","90","","2734.21","0.15","103.15","","103.15","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Coerulein B","","- C20 H10 O4 -","- C20 H10 O4 -","- C160 H80 O32 -","8","1","","Tanioka, Masaru; Oyama, Masaya; Nakajima, Kaito; Mori, Minori; Harada, Mei; Matsuya, Yuji; Kamino, Shinichiro","Coerulein B: a water-soluble and water-compatible near-infrared photoredox catalyst.","Physical chemistry chemical physics : PCCP","2024","26","5","4474","4479","10.1039/d3cp05585j","","x-ray","1.54184","CuKα","","0.0523","0.0495","","","0.1313","0.1332","","","","","","1.091","","","","has coordinates","289639","2024-02-04","12:31:11",""
"7247987","8.175","0.0005","8.5487","0.0004","13.274","0.0006","71.637","0.004","81.162","0.004","68.995","0.005","821.05","0.08","103.15","","103.15","","","","","","","","","4","P -1","-P 1","2","","Coerulein B sulfate","","- C20 H12 O8 S -","- C20 H12 O8 S -","- C40 H24 O16 S2 -","2","1","","Tanioka, Masaru; Oyama, Masaya; Nakajima, Kaito; Mori, Minori; Harada, Mei; Matsuya, Yuji; Kamino, Shinichiro","Coerulein B: a water-soluble and water-compatible near-infrared photoredox catalyst.","Physical chemistry chemical physics : PCCP","2024","26","5","4474","4479","10.1039/d3cp05585j","","x-ray","1.54184","CuKα","","0.0652","0.0599","","","0.1691","0.1765","","","","","","1.048","","","","has coordinates","289639","2024-02-04","12:31:12",""
"7247988","5.7811","0.0001","12.0613","0.0004","12.5328","0.0003","100.454","0.002","90.274","0.002","98.211","0.002","850.14","0.04","103.15","","103.15","","","","","","","","","5","P -1","-P 1","2","","CB-OTf","","- C42 H18 F6 O12 S2 -","- C42 H18 F6 O12 S2 -","- C42 H18 F6 O12 S2 -","1","0.5","","Tanioka, Masaru; Oyama, Masaya; Nakajima, Kaito; Mori, Minori; Harada, Mei; Matsuya, Yuji; Kamino, Shinichiro","Coerulein B: a water-soluble and water-compatible near-infrared photoredox catalyst.","Physical chemistry chemical physics : PCCP","2024","26","5","4474","4479","10.1039/d3cp05585j","","x-ray","1.54184","CuKα","","0.0349","0.0332","","","0.0887","0.0904","","","","","","1.046","","","","has coordinates","289639","2024-02-04","12:31:12",""
"7247989","15.6078","0.0008","19.1265","0.001","24.1307","0.0008","90","","110.387","0.002","90","","6752.3","0.5","188","","188","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H84 N7 O19 Tb Zn2 -","- C66 H80 N7 O19 Tb Zn2 -","- C264 H320 N28 O76 Tb4 Zn8 -","4","1","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.041","0.0366","","","0.0997","0.1022","","","","","","1.036","","","","has coordinates","290151","2024-03-04","20:09:12",""
"7247990","12.3634","0.0007","18.1775","0.0011","16.4172","0.0008","90","","100.662","0.0019","90","","3625.8","0.3","191","","191","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C62 H64 Cl12 Mn2 N7 O15 Tb -","- C62 H60 Cl12 Mn2 N7 O15 Tb -","- C124 H120 Cl24 Mn4 N14 O30 Tb2 -","2","1","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.0465","0.0425","","","0.104","0.1075","","","","","","1.043","","","","has coordinates","290151","2024-03-04","20:09:19",""
"7247991","12.3427","0.0011","18.1743","0.0013","16.3681","0.0014","90","","100.677","0.003","90","","3608.1","0.5","192","","192","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C62 H64 Cl12 Mn2 N7 O15 Tb -","- C62 H60 Cl12 Mn2 N7 O15 Tb -","- C124 H120 Cl24 Mn4 N14 O30 Tb2 -","2","1","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.0498","0.0436","","","0.1072","0.1128","","","","","","1.01","","","","has coordinates","290151","2024-03-04","20:09:19",""
"7247992","15.2744","0.0006","15.3918","0.0005","26.2915","0.0009","90","","90","","90","","6181.1","0.4","188","","188","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C60 H64 Cl4 N7 O15 Tb Zn2 -","- C60 H64 Cl4 N7 O15 Tb Zn2 -","- C240 H256 Cl16 N28 O60 Tb4 Zn8 -","4","1","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.0292","0.0273","","","0.0624","0.0632","","","","","","1.028","","","","has coordinates","290151","2024-03-04","20:09:19",""
"7247993","12.1126","0.0009","18.5566","0.0014","16.3863","0.0011","90","","98.127","0.002","90","","3646.1","0.5","188","","188","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C62 H64 Cl12 N7 O15 Tb Zn2 -","- C62 H64 Cl12 N7 O15 Tb Zn2 -","- C124 H128 Cl24 N14 O30 Tb2 Zn4 -","2","1","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.0592","0.0428","","","0.1052","0.1209","","","","","","1.066","","","","has coordinates","290151","2024-03-04","20:09:19",""
"7247994","15.7164","0.0008","15.9773","0.0009","24.5892","0.0012","90","","90","","90","","6174.5","0.6","188","","188","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C61 H72 Mn2 N7 O18 Tb -","- C61 H72 Mn2 N7 O18 Tb -","- C244 H288 Mn8 N28 O72 Tb4 -","4","1","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.0204","0.0194","","","0.0512","0.0523","","","","","","0.424","","","","has coordinates","290151","2024-03-04","20:09:19",""
"7247995","12.0645","0.0006","18.5409","0.0011","16.4406","0.0008","90","","98.0231","0.0016","90","","3641.5","0.3","192","","192","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C62 H64 Cl12 N7 O15 Tb Zn2 -","- C62 H64 Cl12 N7 O15 Tb Zn2 -","- C124 H128 Cl24 N14 O30 Tb2 Zn4 -","2","1","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.0846","0.045","","","0.0999","0.1441","","","","","","1.129","","","","has coordinates","290151","2024-03-04","20:09:19",""
"7247996","23.9154","0.0018","17.9234","0.0014","16.4008","0.0011","90","","98.864","0.002","90","","6946.2","0.9","188","","188","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H68 Cl8 Mn2 N7 O15 Tb -","- C62 H68 Cl8 Mn2 N7 O15 Tb -","- C248 H272 Cl32 Mn8 N28 O60 Tb4 -","4","1","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.0779","0.0589","","","0.1404","0.1498","","","","","","1.065","","","","has coordinates","290151","2024-03-04","20:09:19",""
"7247997","11.8404","0.0017","11.8606","0.0014","14.328","0.002","104.939","0.004","90.305","0.004","117.451","0.004","1707","0.4","188","","188","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H84 Mn2 N7 O19 Tb -","- C66 H80 Mn2 N7 O19 Tb -","- C66 H80 Mn2 N7 O19 Tb -","1","0.5","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.0253","0.0238","","","0.071","0.0729","","","","","","1.147","","","","has coordinates,has disorder","290151","2024-03-04","20:09:19",""
"7247998","18.4535","0.0008","14.872","0.0005","25.4136","0.0008","90","","115.697","0.002","90","","6284.7","0.4","188","","188","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H64 Cl4 Mn2 N7 O15 Tb -","- C60 H64 Cl4 Mn2 N7 O15 Tb -","- C240 H256 Cl16 Mn8 N28 O60 Tb4 -","4","1","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.0311","0.0242","","","0.0604","0.0634","","","","","","1.044","","","","has coordinates","290151","2024-03-04","20:09:19",""
"7247999","10.972","0.0005","10.3056","0.0005","29.8407","0.0014","90","","90","","90","","3374.2","0.3","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(4-hydroxyphenyl)-4,4-dimethyl-2-(quinolin-3-yl)oxetan-3-one","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C160 H136 N8 O24 -","8","1","","Venka Reddy, Pammi; Nagireddy, Attunuri; Nanubolu, Jagadeesh Babu; Sridhar Reddy, Maddi","Photoinduced arylative formal 4-endo-dig cyclization of propargyl alcohols/amines to access strained heterocycles","Green Chemistry","2024","26","5","2705","2711","10.1039/D3GC03540A","","","0.71073","MoKα","","0.0836","0.0454","","","0.1073","0.1269","","","","","","1.024","","","","has coordinates,has disorder","290998","2024-04-04","23:54:25",""
"7248000","8.8036","0.0002","21.7067","0.0004","9.8524","0.0002","90","","95.1478","0.0008","90","","1875.17","0.07","294","2","294","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-hydroxy-1-(4-hydroxyphenyl)-2-methylpropan-1-one","","- C10 H12 O3 -","- C10 H12 O3 -","- C80 H96 O24 -","8","2","","Venka Reddy, Pammi; Nagireddy, Attunuri; Nanubolu, Jagadeesh Babu; Sridhar Reddy, Maddi","Photoinduced arylative formal 4-endo-dig cyclization of propargyl alcohols/amines to access strained heterocycles","Green Chemistry","2024","26","5","2705","2711","10.1039/D3GC03540A","","","0.71073","MoKα","","0.0827","0.0482","","","0.12","0.1382","","","","","","1.051","","","","has coordinates","290998","2024-04-04","23:54:25",""
"7248001","9.5818","0.0004","10.4568","0.0005","11.5348","0.0005","114.713","0.002","94.029","0.002","96.506","0.002","1034.22","0.08","100","","100","","","","","","","","","7","P -1","-P 1","2","","UmeRitter2","","- C19 H8 F3 Mo N O5 S2 -","- C19 H8 F3 Mo N O5 S2 -","- C38 H16 F6 Mo2 N2 O10 S4 -","2","1","","Streit, Tim-Niclas; Gomila, Rosa M.; Sievers, Robin; Frontera, Antonio; Malischewski, Moritz","CF3-substituted sulfonium cations as efficient chalcogen bond donors towards cyanometalates","CrystEngComm","2024","26","5","594","598","10.1039/D3CE01155K","","","0.71073","MoKα","","0.0243","0.0216","","","0.0541","0.0558","","","","","","1.076","","","","has coordinates","289438","2024-02-04","11:36:51",""
"7248002","18.1737","0.0007","10.1525","0.0003","25.8418","0.0007","90","","90.06","0.002","90","","4768","0.3","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","TNSUmeF2","","- C20 H8 Cl2 F5 Mo N O5 S -","- C20 H8 Cl2 F5 Mo N O5 S -","- C160 H64 Cl16 F40 Mo8 N8 O40 S8 -","8","1","","Streit, Tim-Niclas; Gomila, Rosa M.; Sievers, Robin; Frontera, Antonio; Malischewski, Moritz","CF3-substituted sulfonium cations as efficient chalcogen bond donors towards cyanometalates","CrystEngComm","2024","26","5","594","598","10.1039/D3CE01155K","","","0.71073","MoKα","","0.055","0.0462","","","0.0929","0.0966","","","","","","1.185","","","","has coordinates","289438","2024-02-04","11:36:51",""
"7248003","10.1988","0.0004","10.2849","0.0004","13.3894","0.0005","73.18","0.001","85.274","0.002","62.991","0.002","1195.77","0.08","105","","105","","","","","","","","","9","P -1","-P 1","2","","","","- C20 H9 Cl2 F3 Mo0.822 N2 O7 S W0.178 -","- C20 H9 Cl2 F3 Mo0.82222 N2 O7 S W0.17778 -","- C40 H18 Cl4 F6 Mo1.64444 N4 O14 S2 W0.35556 -","2","1","","Streit, Tim-Niclas; Gomila, Rosa M.; Sievers, Robin; Frontera, Antonio; Malischewski, Moritz","CF3-substituted sulfonium cations as efficient chalcogen bond donors towards cyanometalates","CrystEngComm","2024","26","5","594","598","10.1039/D3CE01155K","","","0.71073","MoKα","","0.0444","0.0366","","","0.0966","0.1096","","","","","","1.1098","","","","has coordinates,has disorder","289438","2024-02-04","11:36:51",""
"7248004","7.9881","0.0008","6.0289","0.0004","9.0193","0.001","90","","100.291","0.009","90","","427.38","0.07","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C3 F2 I -","- C3 F2 I -","- C12 F8 I4 -","4","1","","Ohtsuka, Naoya; Ota, Hino; Sugiura, Satoshi; Kakinuma, Shuya; Sugiyama, Haruki; Suzuki, Toshiyasu; Momiyama, Norie","Perfluorohalogenated naphthalenes: synthesis, crystal structure, and intermolecular interaction","CrystEngComm","2024","26","6","764","772","10.1039/D3CE01124K","","","0.71073","MoKα","","0.0361","0.0327","","","0.0818","0.0848","","","","","","1.08","","","","has coordinates","290145","2024-03-04","20:07:41",""
"7248005","43.551","0.0012","4.45154","0.00019","11.3608","0.0004","90","","90.067","0.003","90","","2202.51","0.14","123","","123","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C10 F6 I2 -","- C10 F6 I2 -","- C80 F48 I16 -","8","2","","Ohtsuka, Naoya; Ota, Hino; Sugiura, Satoshi; Kakinuma, Shuya; Sugiyama, Haruki; Suzuki, Toshiyasu; Momiyama, Norie","Perfluorohalogenated naphthalenes: synthesis, crystal structure, and intermolecular interaction","CrystEngComm","2024","26","6","764","772","10.1039/D3CE01124K","","x-ray","0.71073","MoKα","","0.1114","0.0956","","","0.2158","0.2243","","","","","","1.167","","","","has coordinates,has disorder","290145","2024-03-04","20:07:41",""
"7248006","10.2667","0.0009","6.0444","0.0004","8.9912","0.0006","90","","94.075","0.007","90","","556.55","0.07","113","","113","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 F6 I2 -","- C10 F6 I2 -","- C20 F12 I4 -","2","0.5","","Ohtsuka, Naoya; Ota, Hino; Sugiura, Satoshi; Kakinuma, Shuya; Sugiyama, Haruki; Suzuki, Toshiyasu; Momiyama, Norie","Perfluorohalogenated naphthalenes: synthesis, crystal structure, and intermolecular interaction","CrystEngComm","2024","26","6","764","772","10.1039/D3CE01124K","","","0.71073","MoKα","","0.0433","0.0332","","","0.0711","0.0755","","","","","","1.055","","","","has coordinates","290145","2024-03-04","20:07:41",""
"7248007","11.4261","0.0005","9.6846","0.0004","16.4306","0.0007","90","","103.775","0.004","90","","1765.87","0.13","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cl N3 O3 S -","- C17 H16 Cl N3 O3 S -","- C68 H64 Cl4 N12 O12 S4 -","4","1","","Liu, Ya-Zhou; Chen, Yu; Wang, Amu; Shen, Zhongke; Zhou, Xueting; Zhang, Jichao; Jian, Yinxiang; Ma, Xiaofeng","An electron-donor–acceptor complex between two intermediates enables a N–N bond cleavage cascade process to access 2,3-difunctionalized pyridines","Green Chemistry","2024","26","4","2280","2289","10.1039/D3GC04425D","","x-ray","0.71073","MoKα","","0.0605","0.0444","","","0.1036","0.1133","","","","","","1.048","","","","has coordinates","290218","2024-03-04","20:31:52",""
"7248008","8.1423","0.0008","12.2839","0.0008","12.9853","0.0009","92.802","0.006","98.268","0.007","103.73","0.007","1243.89","0.18","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H25 Br N2 O5 S2 -","- C24 H25 Br N2 O5 S2 -","- C48 H50 Br2 N4 O10 S4 -","2","1","","Liu, Ya-Zhou; Chen, Yu; Wang, Amu; Shen, Zhongke; Zhou, Xueting; Zhang, Jichao; Jian, Yinxiang; Ma, Xiaofeng","An electron-donor–acceptor complex between two intermediates enables a N–N bond cleavage cascade process to access 2,3-difunctionalized pyridines","Green Chemistry","2024","26","4","2280","2289","10.1039/D3GC04425D","","x-ray","0.71073","MoKα","","0.1004","0.0543","","","0.113","0.1347","","","","","","1.001","","","","has coordinates","290218","2024-03-04","20:31:52",""
"7248009","21.5028","0.0018","9.2793","0.0006","24.775","0.002","90","","108.353","0.01","90","","4691.9","0.7","293","2","293.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H23 Cl N2 O5 S -","- C24 H23 Cl N2 O5 S -","- C192 H184 Cl8 N16 O40 S8 -","8","1","","Liu, Ya-Zhou; Chen, Yu; Wang, Amu; Shen, Zhongke; Zhou, Xueting; Zhang, Jichao; Jian, Yinxiang; Ma, Xiaofeng","An electron-donor–acceptor complex between two intermediates enables a N–N bond cleavage cascade process to access 2,3-difunctionalized pyridines","Green Chemistry","2024","26","4","2280","2289","10.1039/D3GC04425D","","x-ray","0.71073","MoKα","","0.1341","0.0881","","","0.2256","0.2551","","","","","","1.05","","","","has coordinates","290218","2024-03-04","20:31:52",""
"7248010","10.3627","0.0007","10.898","0.0008","14.0931","0.001","90","","99.692","0.001","90","","1568.86","0.19","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N20 O20 S20 -","- C60 H68 N12 O12 S4 -","- C60 H68 N12 O12 S4 -","1","0.25","","Rana, Soumitra; Basu, Soumyadip; Bera, Aswini; Saha, Pinaki; Ghosh, Prasanta; Khatua, Bhanu Bhusan; Mukhopadhyay, Chhanda","“On-water” synthesis of thioxoimidazolidinone-isatin/ninhydrin conjugates, followed by temperature-induced dehydration by a ZnMnO3@Ni(OH)2 nano-catalyst","Green Chemistry","2024","26","5","2750","2762","10.1039/D3GC03730D","","","0.71073","MoKα","","0.0507","0.0419","","","0.1198","0.1289","","","","","","0.779","","","","has coordinates","290999","2024-04-04","23:54:34",""
"7248011","17.0626","0.0012","7.5356","0.0005","21.0257","0.0014","90","","101.637","0.002","90","","2647.9","0.3","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H13 N3 O2 S -","- C14 H13 N3 O2 S -","- C112 H104 N24 O16 S8 -","8","1","","Rana, Soumitra; Basu, Soumyadip; Bera, Aswini; Saha, Pinaki; Ghosh, Prasanta; Khatua, Bhanu Bhusan; Mukhopadhyay, Chhanda","“On-water” synthesis of thioxoimidazolidinone-isatin/ninhydrin conjugates, followed by temperature-induced dehydration by a ZnMnO3@Ni(OH)2 nano-catalyst","Green Chemistry","2024","26","5","2750","2762","10.1039/D3GC03730D","","x-ray","0.71073","MoKα","","0.1053","0.0709","","","0.1631","0.1799","","","","","","1.102","","","","has coordinates","290999","2024-04-04","23:54:34",""
"7248012","10.7787","0.0006","10.3552","0.0006","11.3624","0.0007","90","","116.81","0.002","90","","1131.9","0.12","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H18 Cl N2 O5 S2 -","- C21 H16.006 Cl N2 O5 S2 -","- C42 H32.012 Cl2 N4 O10 S4 -","2","1","","Rana, Soumitra; Basu, Soumyadip; Bera, Aswini; Saha, Pinaki; Ghosh, Prasanta; Khatua, Bhanu Bhusan; Mukhopadhyay, Chhanda","“On-water” synthesis of thioxoimidazolidinone-isatin/ninhydrin conjugates, followed by temperature-induced dehydration by a ZnMnO3@Ni(OH)2 nano-catalyst","Green Chemistry","2024","26","5","2750","2762","10.1039/D3GC03730D","","","0.71073","MoKα","","0.0534","0.0416","","","0.1079","0.116","","","","","","0.804","","","","has coordinates,has disorder","290999","2024-04-04","23:54:34",""
"7248013","6.6611","0.0007","36.847","0.003","6.6223","0.0008","90","","91.048","0.009","90","","1625.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ga3 K3 S20 Si7 -","- Ga3 K3 S20 Si7 -","- Ga6 K6 S40 Si14 -","2","0.5","","Liu, Jia-Ting; Ablez, Abdusalam; Hu, Qian-Qian; Tang, Jun-Hao; Lv, Chuan; Yang, Lu; Feng, Mei-Ling; Huang, Xiao-Ying","Alkali halide flux synthesis, crystal structure, and photoelectric response of quaternary thiosilicates K3Ga3Si7S20 and K2ZnSi3S8","CrystEngComm","2024","26","5","691","696","10.1039/D3CE00960B","","","0.71073","MoKα","","0.0967","0.0549","","","0.0955","0.1117","","","","","","1.044","","","","has coordinates","289437","2024-02-04","11:36:37",""
"7248014","6.9955","0.0009","7.4508","0.0009","14.2302","0.0014","87.204","0.009","81.546","0.009","69.495","0.011","687.16","0.15","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- K2 S8 Si3 Zn -","- K2 S8 Si3 Zn -","- K4 S16 Si6 Zn2 -","2","1","","Liu, Jia-Ting; Ablez, Abdusalam; Hu, Qian-Qian; Tang, Jun-Hao; Lv, Chuan; Yang, Lu; Feng, Mei-Ling; Huang, Xiao-Ying","Alkali halide flux synthesis, crystal structure, and photoelectric response of quaternary thiosilicates K3Ga3Si7S20 and K2ZnSi3S8","CrystEngComm","2024","26","5","691","696","10.1039/D3CE00960B","","","0.71073","MoKα","","0.0818","0.0573","","","0.116","0.1294","","","","","","1.122","","","","has coordinates","289437","2024-02-04","11:36:37",""
"7248015","12.962","0.003","9.7854","0.0017","23.918","0.005","90","","98.354","0.005","90","","3001.5","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-5-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-(4-methoxyphenyl)-5-phenylpentan-1-one oxime","","- C32 H41 N O3 -","- C32 H41 N O3 -","- C128 H164 N4 O12 -","4","1","","Zhou, Tongyao; Zeng, Jie; Liu, Yang; Chen, Hang; Wang, Haifeng; Yan, Qiongjiao; Wang, Wei; Chen, Fener","Visible-light-induced tandem ring opening/1,6-conjugate addition of cyclobutanols with p-quinone methides under metal- and additive-free conditions","Green Chemistry","2024","26","3","1375","1380","10.1039/D3GC04286C","","","0.71073","MoKα","","0.1248","0.0635","","","0.1342","0.1642","","","","","","1.018","","","","has coordinates","290223","2024-03-04","20:32:35",""
"7248016","6.3761","0.0008","9.9644","0.0012","22.622","0.003","90","","90","","90","","1437.3","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H21 N O5 -","- C12 H21 N O5 -","- C48 H84 N4 O20 -","4","1","","Ge, Shuwang; Fu, Mingwei; Gu, Dihai; Wei, Lai; Qian, Kun; Rui, Qi; Ma, Yan; Li, Liang; Wang, Huaiqiu; Li, Lingchao; Ge, Min; Wang, Yihong","Design and process study of chiral separation of (2S,4S)-1-(tert-butoxy carbonyl)-4-(methoxymethyl) pyrrolidine-2-carboxylic acid for green manufacturing","Green Chemistry","2024","26","5","2673","2683","10.1039/D3GC04435A","","","0.71073","MoKα","","0.1084","0.0503","","","0.1033","0.1204","","","","","","1.079","","","","has coordinates,has disorder","290997","2024-04-04","23:54:14",""
"7248017","5.8953","0.0002","7.8109","0.0002","8.5294","0.0002","71.666","0.001","86.269","0.001","86.169","0.001","371.586","0.018","170","","170","","","","","","","","","4","P 1","P 1","1","","","","- C12 H23 N O6 -","- C12 H23 N O6 -","- C12 H23 N O6 -","1","1","","Ge, Shuwang; Fu, Mingwei; Gu, Dihai; Wei, Lai; Qian, Kun; Rui, Qi; Ma, Yan; Li, Liang; Wang, Huaiqiu; Li, Lingchao; Ge, Min; Wang, Yihong","Design and process study of chiral separation of (2S,4S)-1-(tert-butoxy carbonyl)-4-(methoxymethyl) pyrrolidine-2-carboxylic acid for green manufacturing","Green Chemistry","2024","26","5","2673","2683","10.1039/D3GC04435A","","","1.54178","CuKα","","0.0244","0.0243","","","0.0619","0.0619","","","","","","1.089","","","","has coordinates","290997","2024-04-04","23:54:14",""
"7248018","15.8307","0.001","7.7891","0.0005","26.3237","0.0017","90","","90.248","0.002","90","","3245.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H22 Br2 N2 O4 -","- C13 H22 Br2 N2 O4 -","- C104 H176 Br16 N16 O32 -","8","2","","Medvedev, Alexander G.; Medved'ko, Aleksei V.; Vener, Mikhail V.; Churakov, Andrei V.; Prikhodchenko, Petr V.; Vatsadze, Sergey Z.","Dioxygen-halogen bonding exemplified by crystalline peroxosolvates of <i>N</i>,<i>N</i>'-bis(haloacetyl) bispidines.","Physical chemistry chemical physics : PCCP","2024","26","6","5195","5206","10.1039/d3cp05834d","","","0.71073","MoKα","","0.0558","0.0405","","","0.0879","0.0942","","","","","","1.033","","","","has coordinates,has disorder","290282","2024-03-04","20:45:46",""
"7248019","7.1669","0.0007","20.9465","0.0016","11.2346","0.001","90","","93.934","0.004","90","","1682.6","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H22 Br2 N2 O7 -","- C13 H22 Br2 N2 O7 -","- C52 H88 Br8 N8 O28 -","4","0.5","","Medvedev, Alexander G.; Medved'ko, Aleksei V.; Vener, Mikhail V.; Churakov, Andrei V.; Prikhodchenko, Petr V.; Vatsadze, Sergey Z.","Dioxygen-halogen bonding exemplified by crystalline peroxosolvates of <i>N</i>,<i>N</i>'-bis(haloacetyl) bispidines.","Physical chemistry chemical physics : PCCP","2024","26","6","5195","5206","10.1039/d3cp05834d","","","0.71073","MoKα","","0.0485","0.0386","","","0.0893","0.0922","","","","","","1.154","","","","has coordinates","290282","2024-03-04","20:45:47",""
"7248020","7.1348","0.0003","20.956","0.0008","11.0766","0.0004","90","","94.251","0.001","90","","1651.58","0.11","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H22 Cl2 N2 O7 -","- C13 H22 Cl2 N2 O7 -","- C52 H88 Cl8 N8 O28 -","4","0.5","","Medvedev, Alexander G.; Medved'ko, Aleksei V.; Vener, Mikhail V.; Churakov, Andrei V.; Prikhodchenko, Petr V.; Vatsadze, Sergey Z.","Dioxygen-halogen bonding exemplified by crystalline peroxosolvates of <i>N</i>,<i>N</i>'-bis(haloacetyl) bispidines.","Physical chemistry chemical physics : PCCP","2024","26","6","5195","5206","10.1039/d3cp05834d","","","0.71073","MoKα","","0.0424","0.0365","","","0.0888","0.0917","","","","","","1.081","","","","has coordinates,has disorder","290282","2024-03-04","20:45:47",""
"7248021","13.6546","0.0005","8.6106","0.0003","15.3908","0.0007","90","","104.962","0.002","90","","1748.21","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H21 I2 N2 O6 -","- C13 H21 I2 N2 O6 -","- C52 H84 I8 N8 O24 -","4","1","","Medvedev, Alexander G.; Medved'ko, Aleksei V.; Vener, Mikhail V.; Churakov, Andrei V.; Prikhodchenko, Petr V.; Vatsadze, Sergey Z.","Dioxygen-halogen bonding exemplified by crystalline peroxosolvates of <i>N</i>,<i>N</i>'-bis(haloacetyl) bispidines.","Physical chemistry chemical physics : PCCP","2024","26","6","5195","5206","10.1039/d3cp05834d","","","0.71073","MoKα","","0.0628","0.0497","","","0.0879","0.0917","","","","","","1.196","","","","has coordinates,has disorder","290282","2024-03-04","20:45:47",""
"7248022","17.513","0.004","14.247","0.003","14.249","0.003","90","","112.7","0.03","90","","3279.8","1.4","223","2","223","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C33 H34 N6 O11 Zn -","- C33 H34 N6 O11 Zn -","- C132 H136 N24 O44 Zn4 -","4","1","","Kim, Gyeongmin; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Construction and catalytic effects of solvent- and metal(ii)-dependent products: the process of transformation of 0D structures into 3D structures","CrystEngComm","2024","26","7","918","925","10.1039/D3CE01298K","","","0.63","synchrotron","","0.037","0.0332","","","0.0841","0.0853","","","","","","1.077","","","","has coordinates","290148","2024-03-04","20:08:08",""
"7248023","14.608","0.002","14.608","0.002","24.244","0.005","90","","90","","120","","4480.4","1.3","153","2","153","2","","","","","","","","5","P -3","-P 3","147","","","","- C74 H84 N14 Ni3 O31 -","- C66 H60 N12 Ni3 O24 -","- C132 H120 N24 Ni6 O48 -","2","0.333333","","Kim, Gyeongmin; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Construction and catalytic effects of solvent- and metal(ii)-dependent products: the process of transformation of 0D structures into 3D structures","CrystEngComm","2024","26","7","918","925","10.1039/D3CE01298K","","","0.7","synchrotron","","0.1829","0.1458","","","0.3727","0.4034","","","","","","1.389","","","","has coordinates","290148","2024-03-04","20:08:16",""
"7248024","11.732","0.002","23.592","0.005","14.243","0.003","90","","111.45","0.03","90","","3669.1","1.5","153","2","153","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C70 H66 N16 O24 Zn3 -","- C70 H66 N15.999 O23.997 Zn3 -","- C140 H132 N31.998 O47.994 Zn6 -","2","0.5","","Kim, Gyeongmin; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Construction and catalytic effects of solvent- and metal(ii)-dependent products: the process of transformation of 0D structures into 3D structures","CrystEngComm","2024","26","7","918","925","10.1039/D3CE01298K","","","0.7","synchrotron","","0.1247","0.0766","","","0.2322","0.2678","","","","","","1.072","","","","has coordinates,has disorder","290148","2024-03-04","20:08:17",""
"7248025","21.1949","0.0018","18.9263","0.0018","22.497","0.002","90","","105.855","0.002","90","","8681.1","1.4","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C82 H84 Cu3 N14 O26 -","- C82 H82 Cu3 N14 O26 -","- C328 H328 Cu12 N56 O104 -","4","1","","Kim, Gyeongmin; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Construction and catalytic effects of solvent- and metal(ii)-dependent products: the process of transformation of 0D structures into 3D structures","CrystEngComm","2024","26","7","918","925","10.1039/D3CE01298K","","","0.71073","MoKα","","0.1717","0.1061","","","0.2706","0.3305","","","","","","1.075","","","","has coordinates,has disorder","290148","2024-03-04","20:08:17",""
"7248026","17.551","0.004","14.217","0.003","14.235","0.003","90","","112.49","0.03","90","","3281.8","1.4","223","2","223","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C33 H34 Co N6 O11 -","- C33 H34 Co N6 O11 -","- C132 H136 Co4 N24 O44 -","4","1","","Kim, Gyeongmin; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Construction and catalytic effects of solvent- and metal(ii)-dependent products: the process of transformation of 0D structures into 3D structures","CrystEngComm","2024","26","7","918","925","10.1039/D3CE01298K","","","0.63","synchrotron","","0.1329","0.0631","","","0.1092","0.1256","","","","","","0.851","","","","has coordinates","290148","2024-03-04","20:08:17",""
"7248027","7.5135","0.0002","12.1526","0.0006","14.5092","0.0004","92.374","0.003","99.647","0.002","96.671","0.003","1294.73","0.08","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 I2 N3 O2 Zn -","- C25 H23 I2 N3 O2 Zn -","- C50 H46 I4 N6 O4 Zn2 -","2","1","","Xia, Zhong-Gang; Shi, Yong-Sheng; Xiao, Tong; Zheng, Xiang-Jun","Multi-stimuli responsive behavior of two Zn(ii) complexes based on a Schiff base with high contrast","CrystEngComm","2024","26","7","1015","1021","10.1039/D3CE01214J","","x-ray","0.71073","MoKα","","0.0416","0.0337","","","0.0686","0.0748","","","","","","1.041","","","","has coordinates","290147","2024-03-04","20:07:54",""
"7248028","7.3928","0.0003","11.9818","0.0004","14.0657","0.0004","93.806","0.003","99.114","0.003","95.971","0.003","1219.16","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 Br2 N3 O2 Zn -","- C25 H23 Br2 N3 O2 Zn -","- C50 H46 Br4 N6 O4 Zn2 -","2","1","","Xia, Zhong-Gang; Shi, Yong-Sheng; Xiao, Tong; Zheng, Xiang-Jun","Multi-stimuli responsive behavior of two Zn(ii) complexes based on a Schiff base with high contrast","CrystEngComm","2024","26","7","1015","1021","10.1039/D3CE01214J","","","0.71073","MoKα","","0.0499","0.039","","","0.0948","0.1016","","","","","","1.062","","","","has coordinates","290147","2024-03-04","20:07:54",""
"7248029","20.3125","0.0009","10.3043","0.0005","17.1562","0.0008","90","","90","","90","","3590.9","0.3","110","","110","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C41 H39 Cu I P3 -","- C41 H39 Cu I P3 -","- C164 H156 Cu4 I4 P12 -","4","1","","Lamahewage, Sujeewa N. S.; Atterberry, Benjamin A.; Dorn, Rick W.; Gi, Eunbyeol; Kimball, Maxwell R.; Blümel, Janet; Vela, Javier; Rossini, Aaron J.","Accelerated acquisition of wideline solid-state NMR spectra of spin 3/2 nuclei by frequency-stepped indirect detection experiments.","Physical chemistry chemical physics : PCCP","2024","26","6","5081","5096","10.1039/d3cp05055f","","","1.54178","CuKα","","0.0237","0.0223","","","0.0566","0.0573","","","","","","1.039","","","","has coordinates","290280","2024-03-04","20:45:30",""
"7248030","12.95","0.0006","20.3971","0.0011","15.0471","0.0007","90","","100.379","0.001","90","","3909.5","0.3","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54.02 H76.29 Cd2 Cl8 N27.98 O22 -","- C54.04 H76.294 Cd2 Cl8 N27.974 O22 -","- C108.08 H152.588 Cd4 Cl16 N55.948 O44 -","2","0.5","","Ye, Yanan; Ma, Peihua; Ma, Yue; Yang, Naqin; Chen, Xiaoqian; Yang, Xinan; Shen, Lingyi; Xiao, Xin","Study on the host–guest interactions between tetramethyl cucurbit[6]uril and 2-heterocyclic-substituted benzimidazoles","RSC Advances","2024","14","4","2652","2658","10.1039/D3RA07810H","","","0.71073","MoKα","","0.0924","0.0798","","","0.2304","0.2403","","","","","","1.115","","","","has coordinates,has disorder","289115","2024-01-17","02:32:43",""
"7248031","23.088","0.006","11.877","0.003","15.998","0.007","90","","131.526","0.006","90","","3284.3","1.9","290","","290","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C52 H54 N27 O12 -","- C52 H50 N27 O12 -","- C104 H100 N54 O24 -","2","0.5","","Ye, Yanan; Ma, Peihua; Ma, Yue; Yang, Naqin; Chen, Xiaoqian; Yang, Xinan; Shen, Lingyi; Xiao, Xin","Study on the host–guest interactions between tetramethyl cucurbit[6]uril and 2-heterocyclic-substituted benzimidazoles","RSC Advances","2024","14","4","2652","2658","10.1039/D3RA07810H","","","0.71073","MoKα","","0.1868","0.1215","","","0.3162","0.3638","","","","","","1.222","","","","has coordinates","289115","2024-01-17","02:32:46",""
"7248032","13.5914","0.001","17.2592","0.0012","33.599","0.002","82.721","0.002","79.158","0.002","72.244","0.002","7351.8","0.9","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C106 H108 Cl12 N52 O24 Zn3 -","- C106 H108 Cl12 N52 O24 Zn3 -","- C212 H216 Cl24 N104 O48 Zn6 -","2","1","","Ye, Yanan; Ma, Peihua; Ma, Yue; Yang, Naqin; Chen, Xiaoqian; Yang, Xinan; Shen, Lingyi; Xiao, Xin","Study on the host–guest interactions between tetramethyl cucurbit[6]uril and 2-heterocyclic-substituted benzimidazoles","RSC Advances","2024","14","4","2652","2658","10.1039/D3RA07810H","","","0.71073","MoKα","","0.1579","0.1082","","","0.3069","0.3315","","","","","","1.043","","","","has coordinates,has disorder","289115","2024-01-17","02:32:47",""
"7248033","6.5961","0.0017","7.3355","0.0015","11.576","0.002","97.689","0.009","104.047","0.011","99.886","0.011","526.2","0.2","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H8 N12 O2 -","- C4 H8 N12 O2 -","- C8 H16 N24 O4 -","2","1","","Tang, Mingjie; Yin, Zhaoyang; Zeng, Zhiwei; Dong, Yaqun; Huang, Wei; Liu, Yuji; Tang, Yongxing","A desirable coplanar energetic pentazolate salt driven by hydrogen bonds","CrystEngComm","2024","26","6","748","752","10.1039/D3CE01234D","","","1.54178","CuKα","","0.0391","0.0359","","","0.1013","0.104","","","","","","1.03","","","","has coordinates","290143","2024-03-04","20:07:20",""
"7248034","9.6066","0.0006","19.859","0.0014","4.6599","0.0002","90","","90","","90","","889","0.09","173","2","173.1","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H8 Cl N7 O2 -","- C4 H8 Cl N7 O2 -","- C16 H32 Cl4 N28 O8 -","4","1","","Tang, Mingjie; Yin, Zhaoyang; Zeng, Zhiwei; Dong, Yaqun; Huang, Wei; Liu, Yuji; Tang, Yongxing","A desirable coplanar energetic pentazolate salt driven by hydrogen bonds","CrystEngComm","2024","26","6","748","752","10.1039/D3CE01234D","","","0.71073","MoKα","","0.0399","0.0316","","","0.0612","0.0638","","","","","","1.075","","","","has coordinates","290143","2024-03-04","20:07:21",""
"7248035","8.3969","0.0001","10.2061","0.0001","31.5288","0.0004","90","","90","","90","","2702.01","0.05","212.99","0.1","213.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 N2 O7 -","- C31 H38 N2 O7 -","- C124 H152 N8 O28 -","4","1","","Zhu, Yujing; Shi, Xiaoju; Li, Duanxiu; Li, Shuang; Wang, Lin; Deng, Zongwu; Huang, Shaohua; Zhang, Hailu","Sustained release of matrine via salt formation with hesperetin","CrystEngComm","2024","26","8","1090","1098","10.1039/D3CE01129A","","","1.54184","CuKα","","0.0448","0.0417","","","0.1139","0.1201","","","","","","1.099","","","","has coordinates,has disorder","290141","2024-03-04","20:06:37",""
"7248036","11.7266","0.0006","11.7266","0.0006","21.9372","0.0016","90","","90","","90","","3016.7","0.3","150","","150.15","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","matrine-h2o","","- C15 H27.5 N2 O2.75 -","- C15 H26 N2 O2 -","- C120 H208 N16 O16 -","8","1","","Zhu, Yujing; Shi, Xiaoju; Li, Duanxiu; Li, Shuang; Wang, Lin; Deng, Zongwu; Huang, Shaohua; Zhang, Hailu","Sustained release of matrine via salt formation with hesperetin","CrystEngComm","2024","26","8","1090","1098","10.1039/D3CE01129A","","","1.34139","GaKα","","0.0412","0.0339","","","0.0787","0.0826","","","","","","1.035","","","","has coordinates","290141","2024-03-04","20:06:37",""
"7248037","15.7011","0.0014","15.7011","0.0014","29.337","0.003","90","","90","","90","","7232.3","1.2","103","2","103","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C44 H36 N6 O5 -","- C44 H36 N6 O5 -","- C352 H288 N48 O40 -","8","0.5","","Patil, Baliram R.; Nichinde, Chandrakant B.; Chaudhari, Suryakant S.; Krishna, Gamidi Rama; Kinage, Anil K.","Organocatalyzed [4 + 2] cycloaddition of α,β-unsaturated ketones and isatylidene malononitrile: accessing spiro[3-arylcyclohexanone]oxindole derivatives","RSC Advances","2024","14","5","2873","2877","10.1039/D3RA07652K","","","0.71073","MoKα","","0.0459","0.0374","","","0.0906","0.0967","","","","","","1.016","","","","has coordinates","289135","2024-01-18","02:48:46",""
"7248038","9.9591","0.0004","17.0919","0.0006","11.8583","0.0005","90","","105.357","0.001","90","","1946.45","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N3 O2 -","- C24 H21 N3 O2 -","- C96 H84 N12 O8 -","4","1","","Patil, Baliram R.; Nichinde, Chandrakant B.; Chaudhari, Suryakant S.; Krishna, Gamidi Rama; Kinage, Anil K.","Organocatalyzed [4 + 2] cycloaddition of α,β-unsaturated ketones and isatylidene malononitrile: accessing spiro[3-arylcyclohexanone]oxindole derivatives","RSC Advances","2024","14","5","2873","2877","10.1039/D3RA07652K","","","0.71073","MoKα","","0.057","0.0513","","","0.1228","0.1271","","","","","","1.027","","","","has coordinates","289135","2024-01-18","02:48:50",""
"7248039","7.7886","0.0005","10.8558","0.0005","11.3845","0.0004","76.757","0.004","84.981","0.004","78.05","0.005","915.86","0.08","296.69","0.13","296.69","0.13","","","","","","","","3","P -1","-P 1","2","","","","- C24 H34 O -","- C24 H34 O -","- C48 H68 O2 -","2","1","","Alić, Jasna; Lončarić, Ivor; Etter, Martin; Rubčić, Mirta; Štefanić, Zoran; Šekutor, Marina; Užarević, Krunoslav; Stolar, Tomislav","Direct <i>in situ</i> measurement of polymorphic transition temperatures under thermo-mechanochemical conditions.","Physical chemistry chemical physics : PCCP","2024","26","6","4840","4844","10.1039/d3cp04364a","","x-ray","1.54184","CuKα","","0.1164","0.0914","","","0.2734","0.3245","","","","","","1.428","","","","has coordinates","290281","2024-03-04","20:45:36",""
"7248040","7.1182","0.0012","22.582","0.004","5.9936","0.001","90","","103.469","0.005","90","","936.9","0.3","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Cu F N O4 -","- C9 H8 Cu F N O4 -","- C36 H32 Cu4 F4 N4 O16 -","4","1","","Manurkar, Nagesh; Su, Hao; Arshad, Faiza; Li, Zhongkui; Li, Hui","Construction of MOF-74 analogues through pre-installation of functional ligands: efficient directional functionalization and properties","CrystEngComm","2024","26","11","1540","1549","10.1039/D4CE00008K","","","0.71073","MoKα","","0.0488","0.0324","","","0.0724","0.078","","","","","","1.058","","","","has coordinates","290898","2024-04-04","23:09:45",""
"7248041","26.796","0.005","26.796","0.005","7.4941","0.0014","90","","90","","120","","4660","1.5","296","2","296.15","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C9 H6 Cu I N O3 -","- C9 H6 Cu I N O3 -","- C162 H108 Cu18 I18 N18 O54 -","18","1","","Manurkar, Nagesh; Su, Hao; Arshad, Faiza; Li, Zhongkui; Li, Hui","Construction of MOF-74 analogues through pre-installation of functional ligands: efficient directional functionalization and properties","CrystEngComm","2024","26","11","1540","1549","10.1039/D4CE00008K","","","0.71073","MoKα","","0.0386","0.0309","","","0.0783","0.0845","","","","","","1.045","","","","has coordinates","290898","2024-04-04","23:09:46",""
"7248042","26.8602","0.0006","26.8602","0.0006","7.2007","0.0005","90","","90","","120","","4499.1","0.3","296","2","296.15","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C9 H6 Br Cu N O3.056 -","- C9 H6 Br Cu N O3.05556 -","- C162 H108 Br18 Cu18 N18 O55.0001 -","18","1","","Manurkar, Nagesh; Su, Hao; Arshad, Faiza; Li, Zhongkui; Li, Hui","Construction of MOF-74 analogues through pre-installation of functional ligands: efficient directional functionalization and properties","CrystEngComm","2024","26","11","1540","1549","10.1039/D4CE00008K","","","0.71073","MoKα","","0.0446","0.0324","","","0.0857","0.0931","","","","","","1.0462","","","","has coordinates","290898","2024-04-04","23:09:46",""
"7248043","9.4413","0.0003","12.1521","0.0005","16.2434","0.0007","90","","93.569","0.001","90","","1860.02","0.13","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 Cl4 Co N2 -","- C14 H28 Cl4 Co N2 -","- C56 H112 Cl16 Co4 N8 -","4","1","","Belloso-Casuso, Cantia; de Pedro, Imanol; Canadillas-Delgado, Laura; Beobide, Garikoitz; Sánchez-Andújar, Manuel; Gárcia Ben, Javier; Walker, Julian; González Izquierdo, Palmerina; Cano, Israel; Rodríguez Fernández, Jesus; Fabelo, Oscar","Structural and physico-chemical characterization of hybrid materials based on globular quinuclidinium cation derivatives and tetrachloridocobaltate(ii) anions","CrystEngComm","2024","26","4","439","451","10.1039/D3CE00759F","","","0.56086","AgKα","","0.0593","0.0424","","","0.0915","0.1029","","","","","","0.997","","","","has coordinates","289184","2024-01-22","23:41:08",""
"7248044","9.6452","0.0015","12.4497","0.0019","16.168","0.002","90","","92.796","0.005","90","","1939.1","0.5","299","2","299","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 Cl4 Co N2 -","- C14 H28 Cl4 Co N2 -","- C56 H112 Cl16 Co4 N8 -","4","1","","Belloso-Casuso, Cantia; de Pedro, Imanol; Canadillas-Delgado, Laura; Beobide, Garikoitz; Sánchez-Andújar, Manuel; Gárcia Ben, Javier; Walker, Julian; González Izquierdo, Palmerina; Cano, Israel; Rodríguez Fernández, Jesus; Fabelo, Oscar","Structural and physico-chemical characterization of hybrid materials based on globular quinuclidinium cation derivatives and tetrachloridocobaltate(ii) anions","CrystEngComm","2024","26","4","439","451","10.1039/D3CE00759F","","","0.56086","AgKα","","0.0667","0.0472","","","0.1214","0.141","","","","","","1.021","","","","has coordinates","289184","2024-01-22","23:41:09",""
"7248045","9.5688","0.0002","12.9473","0.0003","15.9128","0.0003","90","","90","","90","","1971.44","0.07","296","2","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 Cl4 Co N2 O2 -","- C14 H28 Cl4 Co N2 O2 -","- C56 H112 Cl16 Co4 N8 O8 -","4","1","","Belloso-Casuso, Cantia; de Pedro, Imanol; Canadillas-Delgado, Laura; Beobide, Garikoitz; Sánchez-Andújar, Manuel; Gárcia Ben, Javier; Walker, Julian; González Izquierdo, Palmerina; Cano, Israel; Rodríguez Fernández, Jesus; Fabelo, Oscar","Structural and physico-chemical characterization of hybrid materials based on globular quinuclidinium cation derivatives and tetrachloridocobaltate(ii) anions","CrystEngComm","2024","26","4","439","451","10.1039/D3CE00759F","","","1.54178","CuKα","","0.0419","0.0349","","","0.0838","0.087","","","","","","1.059","","","","has coordinates,has disorder","289184","2024-01-22","23:41:09",""
"7248046","6.5731","0.0015","16.213","0.004","13.002","0.003","90","","91.784","0.007","90","","1384.9","0.6","301","","301","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C7 H18 Cl4 Co N2 O -","- C7 H18 Cl4 Co N2 O -","- C28 H72 Cl16 Co4 N8 O4 -","4","2","","Belloso-Casuso, Cantia; de Pedro, Imanol; Canadillas-Delgado, Laura; Beobide, Garikoitz; Sánchez-Andújar, Manuel; Gárcia Ben, Javier; Walker, Julian; González Izquierdo, Palmerina; Cano, Israel; Rodríguez Fernández, Jesus; Fabelo, Oscar","Structural and physico-chemical characterization of hybrid materials based on globular quinuclidinium cation derivatives and tetrachloridocobaltate(ii) anions","CrystEngComm","2024","26","4","439","451","10.1039/D3CE00759F","","","0.56086","AgKα","","0.0644","0.0559","","","0.1432","0.15","","","","","","1.042","","","","has coordinates","289184","2024-01-22","23:41:09",""
"7248047","6.4979","0.0004","16.0144","0.001","12.9534","0.0008","90","","91.907","0.002","90","","1347.18","0.14","100","","100","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C7 H18 Cl4 Co N2 O -","- C7 H18 Cl4 Co N2 O -","- C28 H72 Cl16 Co4 N8 O4 -","4","2","","Belloso-Casuso, Cantia; de Pedro, Imanol; Canadillas-Delgado, Laura; Beobide, Garikoitz; Sánchez-Andújar, Manuel; Gárcia Ben, Javier; Walker, Julian; González Izquierdo, Palmerina; Cano, Israel; Rodríguez Fernández, Jesus; Fabelo, Oscar","Structural and physico-chemical characterization of hybrid materials based on globular quinuclidinium cation derivatives and tetrachloridocobaltate(ii) anions","CrystEngComm","2024","26","4","439","451","10.1039/D3CE00759F","","","0.56086","AgKα","","0.0296","0.0286","","","0.0645","0.065","","","","","","1.062","","","","has coordinates","289184","2024-01-22","23:41:09",""
"7248048","9.5314","0.0012","15.705","0.002","38.49","0.005","90","","90","","90","","5761.6","1.3","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 Cl4 Co N2 O2 -","- C14 H28 Cl4 Co N2 O2 -","- C168 H336 Cl48 Co12 N24 O24 -","12","3","","Belloso-Casuso, Cantia; de Pedro, Imanol; Canadillas-Delgado, Laura; Beobide, Garikoitz; Sánchez-Andújar, Manuel; Gárcia Ben, Javier; Walker, Julian; González Izquierdo, Palmerina; Cano, Israel; Rodríguez Fernández, Jesus; Fabelo, Oscar","Structural and physico-chemical characterization of hybrid materials based on globular quinuclidinium cation derivatives and tetrachloridocobaltate(ii) anions","CrystEngComm","2024","26","4","439","451","10.1039/D3CE00759F","","","1.54178","CuKα","","0.1199","0.1011","","","0.2876","0.3132","","","","","","1.258","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7248049","12.4408","0.0007","15.1905","0.0008","16.5411","0.0009","92.864","0.003","102.624","0.003","106.246","0.003","2907.9","0.3","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","Ponatinib HCl","3-(imidazo[1,2-b]pyridazin-3-yylethynyl)-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide hydrochloride","","- C58 H63 Cl3 F6 N12 O5 -","- C58 H63 Cl3 F6 N12 O5 -","- C116 H126 Cl6 F12 N24 O10 -","2","1","","Stirk, Alexander J.; Holmes, Sean T.; Souza, Fabio E. S.; Hung, Ivan; Gan, Zhehong; Britten, James F.; Rey, Allan W.; Schurko, Robert W.","An unusual ionic cocrystal of ponatinib hydrochloride: characterization by single-crystal X-ray diffraction and ultra-high field NMR spectroscopy.","CrystEngComm","2024","26","9","1219","1233","10.1039/d3ce01062g","","","0.71073","MoKα","","0.0895","0.0599","","","0.1595","0.1733","","","","","","1.096","","","","has coordinates","290156","2024-03-04","20:10:19",""
"7248050","36.361","0.004","5.9049","0.0006","21.101","0.002","90","","115.569","0.003","90","","4086.9","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 N2 O9 Zn -","- C20 H18 N2 O9 Zn -","- C160 H144 N16 O72 Zn8 -","8","1","","Guerrero-García, Pablo; Cepeda, Javier; Ortega-Muñoz, Mariano; García, Jose Angel; Navarro, Amparo; Choquesillo-Lazarte, Duane; Rojas, Sara; Diéguez, Antonio Rodríguez; Quesada-Moreno, María Mar; Vitórica-Yrezábal, Iñigo J.","Naphthalene-1,8-dicarboxylate based zinc coordination polymers: a photophysical study","CrystEngComm","2024","26","9","1268","1277","10.1039/D3CE01233F","","","1.54178","CuKα","","0.0426","0.0413","","","0.1254","0.1272","","","","","","1.072","","","","has coordinates,has disorder","290157","2024-03-04","20:10:32",""
"7248051","11.3657","0.0007","17.0847","0.0014","9.57","0.0008","90","","107.99","0.002","90","","1767.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 N6 O6 Zn -","- C17 H12 N6 O6 Zn -","- C68 H48 N24 O24 Zn4 -","4","1","","Guerrero-García, Pablo; Cepeda, Javier; Ortega-Muñoz, Mariano; García, Jose Angel; Navarro, Amparo; Choquesillo-Lazarte, Duane; Rojas, Sara; Diéguez, Antonio Rodríguez; Quesada-Moreno, María Mar; Vitórica-Yrezábal, Iñigo J.","Naphthalene-1,8-dicarboxylate based zinc coordination polymers: a photophysical study","CrystEngComm","2024","26","9","1268","1277","10.1039/D3CE01233F","","","0.71073","MoKα","","0.0389","0.0303","","","0.0725","0.0785","","","","","","1.059","","","","has coordinates,has disorder","290157","2024-03-04","20:10:32",""
"7248052","8.7045","0.0003","15.5177","0.0005","18.7098","0.0006","110.77","0.002","92.2","0.002","91.272","0.002","2359.49","0.14","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N11 O9 Zn2 -","- C18 H19 N11 O9 Zn2 -","- C72 H76 N44 O36 Zn8 -","4","2","","Guerrero-García, Pablo; Cepeda, Javier; Ortega-Muñoz, Mariano; García, Jose Angel; Navarro, Amparo; Choquesillo-Lazarte, Duane; Rojas, Sara; Diéguez, Antonio Rodríguez; Quesada-Moreno, María Mar; Vitórica-Yrezábal, Iñigo J.","Naphthalene-1,8-dicarboxylate based zinc coordination polymers: a photophysical study","CrystEngComm","2024","26","9","1268","1277","10.1039/D3CE01233F","","","1.54178","CuKα","","0.197","0.1002","","","0.2424","0.3087","","","","","","0.998","","","","has coordinates","290157","2024-03-04","20:10:32",""
"7248053","10.1417","0.0002","18.861","0.0003","16.4838","0.0002","90","","105.408","0.002","90","","3039.74","0.09","212.99","0.1","212.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 Mn2 N O15 -","- C28 H23 Mn2 N O15 -","- C112 H92 Mn8 N4 O60 -","4","1","","Wu, Hang; Ghosh, Mithun Kumar; Wang, Guang-Li; Wang, Jun; Muddassir, Mohd.; Ghorai, Tanmay Kumar; Kushwaha, Aparna; Srivastava, Devyani; Kumar, Abhinav","New 3,5-bis(3,4-dicarboxyphenoxy)benzoic acid-appended Mn(ii) coordination polymers: synthesis, characterization and antibiotic photodegradation properties","CrystEngComm","2024","26","10","1453","1463","10.1039/D3CE01285A","","x-ray","1.54184","CuKα","","0.0551","0.0466","","","0.1097","0.1136","","","","","","1.055","","","","has coordinates,has disorder","290880","2024-04-04","23:04:06",""
"7248054","19.1708","0.0008","6.2123","0.0003","9.5258","0.0005","90","","102.172","0.004","90","","1108.97","0.09","213","0.1","213","0.1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C23 H16 Mn O14 -","- C23 H16 Mn O14 -","- C46 H32 Mn2 O28 -","2","0.5","","Wu, Hang; Ghosh, Mithun Kumar; Wang, Guang-Li; Wang, Jun; Muddassir, Mohd.; Ghorai, Tanmay Kumar; Kushwaha, Aparna; Srivastava, Devyani; Kumar, Abhinav","New 3,5-bis(3,4-dicarboxyphenoxy)benzoic acid-appended Mn(ii) coordination polymers: synthesis, characterization and antibiotic photodegradation properties","CrystEngComm","2024","26","10","1453","1463","10.1039/D3CE01285A","","x-ray","0.71073","MoKα","","0.0505","0.0389","","","0.0987","0.1052","","","","","","1.067","","","","has coordinates,has disorder","290880","2024-04-04","23:04:07",""
"7248055","11.2767","0.0004","11.9402","0.0004","12.4311","0.0004","96.076","0.003","104.603","0.003","111.886","0.003","1465.3","0.1","213","0.1","213","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C33 H22 Mn N2 O13 -","- C33 H22 Mn N2 O13 -","- C66 H44 Mn2 N4 O26 -","2","1","","Wu, Hang; Ghosh, Mithun Kumar; Wang, Guang-Li; Wang, Jun; Muddassir, Mohd.; Ghorai, Tanmay Kumar; Kushwaha, Aparna; Srivastava, Devyani; Kumar, Abhinav","New 3,5-bis(3,4-dicarboxyphenoxy)benzoic acid-appended Mn(ii) coordination polymers: synthesis, characterization and antibiotic photodegradation properties","CrystEngComm","2024","26","10","1453","1463","10.1039/D3CE01285A","","x-ray","1.54184","CuKα","","0.0559","0.0494","","","0.1318","0.1363","","","","","","1.057","","","","has coordinates","290880","2024-04-04","23:04:07",""
"7248056","14.081","0.004","19.265","0.005","16.785","0.005","90","","100.61","0.006","90","","4475","2","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H48 Mn2 N4 O17 -","- C39 H48 Mn2 N4 O17 -","- C156 H192 Mn8 N16 O68 -","4","1","","Wu, Hang; Ghosh, Mithun Kumar; Wang, Guang-Li; Wang, Jun; Muddassir, Mohd.; Ghorai, Tanmay Kumar; Kushwaha, Aparna; Srivastava, Devyani; Kumar, Abhinav","New 3,5-bis(3,4-dicarboxyphenoxy)benzoic acid-appended Mn(ii) coordination polymers: synthesis, characterization and antibiotic photodegradation properties","CrystEngComm","2024","26","10","1453","1463","10.1039/D3CE01285A","","","0.71073","MoKα","","0.1413","0.0653","","","0.1522","0.1871","","","","","","0.996","","","","has coordinates","290880","2024-04-04","23:04:07",""
"7248057","6.6228","0.0004","10.0408","0.0008","22.0134","0.0016","90","","94.015","0.005","90","","1460.26","0.18","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N6 O -","- C16 H14 N6 O -","- C64 H56 N24 O4 -","4","1","","Shishkina, Svitlana V.; Shaposhnyk, Anna M.; Dyakonenko, Viktoriya V.; Shyshkina, Mariia O.; Kovalenko, Sergiy M.","Use of quantum chemical methods to study concomitant polymorphs of a new benzimidazole-1,2,3-triazole hybrid compound","CrystEngComm","2024","26","10","1481","1493","10.1039/D3CE01152F","","x-ray","0.71073","MoKα","","0.1003","0.0652","","","0.1654","0.1913","","","","","","1.078","","","","has coordinates","290877","2024-04-04","23:03:32",""
"7248058","5.3231","0.0009","11.4404","0.0019","12.235","0.002","73.954","0.015","81.185","0.014","89.683","0.014","707.1","0.2","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N6 O -","- C16 H14 N6 O -","- C32 H28 N12 O2 -","2","1","","Shishkina, Svitlana V.; Shaposhnyk, Anna M.; Dyakonenko, Viktoriya V.; Shyshkina, Mariia O.; Kovalenko, Sergiy M.","Use of quantum chemical methods to study concomitant polymorphs of a new benzimidazole-1,2,3-triazole hybrid compound","CrystEngComm","2024","26","10","1481","1493","10.1039/D3CE01152F","","x-ray","0.71073","MoKα","","0.1126","0.0819","","","0.1984","0.2327","","","","","","1.028","","","","has coordinates","290877","2024-04-04","23:03:33",""
"7248059","25.8739","0.0006","9.36039","0.00017","14.3273","0.0003","90","","94.12","0.002","90","","3460.96","0.13","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H15 Cl N4 O3 S2 -","- C16 H15 Cl N4 O3 S2 -","- C128 H120 Cl8 N32 O24 S16 -","8","1","","Krishna Rao, Vajja; Paul, Subarno; Gulkis, Mitchell; Shen, Zhihang; Nair, Haritha; Singh, Amandeep; Li, Chenglong; Sharma, Arun K.; Çağlayan, Melike; Das, Chinmay; Das, Biswajit; Kundu, Chanakya Nath; Narayan, Satya; Guchhait, Sankar Kumar","Molecular Editing of NSC-666719 Enabling Discovery of benzodithiazinedioxide-guanidines as Anticancer Agents","RSC Medicinal Chemistry","2024","","","","","10.1039/D3MD00648D","","","0.71073","MoKα","","0.0435","0.0357","","","0.0888","0.0944","","","","","","1.094","","","","has coordinates","289223","2024-01-31","01:14:14",""
"7248060","18.493","0.0007","18.493","0.0007","7.1799","0.0005","90","","90","","90","","2455.5","0.2","100","0.1","100","0.1","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C116 H104 Br8 -","- C116 H104 Br8 -","- C116 H104 Br8 -","1","0.125","","Lutz, Nicholas; Bicknell, Josephine; Loya, Jesus Daniel; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo","Channel confinement and separation properties in an adaptive supramolecular framework using an adamantane tecton","CrystEngComm","2024","26","8","1067","1070","10.1039/D4CE00037D","","x-ray","0.71073","MoKα","","0.0684","0.0394","","","0.0728","0.082","","","","","","1","","","","has coordinates","290140","2024-03-04","20:06:29",""
"7248061","7.1953","0.0003","25.4666","0.0009","10.1699","0.0004","90","","107.729","0.004","90","","1775.03","0.13","101","2","101","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C42 H38 Br4 -","- C42 H38 Br4 -","- C84 H76 Br8 -","2","1","","Lutz, Nicholas; Bicknell, Josephine; Loya, Jesus Daniel; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo","Channel confinement and separation properties in an adaptive supramolecular framework using an adamantane tecton","CrystEngComm","2024","26","8","1067","1070","10.1039/D4CE00037D","","x-ray","0.71073","MoKα","","0.0458","0.0374","","","0.0644","0.0665","","","","","","1.034","","","","has coordinates","290140","2024-03-04","20:06:29",""
"7248062","18.7063","0.0012","7.1729","0.0005","25.574","0.002","90","","101.643","0.007","90","","3360.9","0.4","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35 H29 Br4 Cl3 -","- C35 H29 Br4 Cl3 -","- C140 H116 Br16 Cl12 -","4","0.5","","Lutz, Nicholas; Bicknell, Josephine; Loya, Jesus Daniel; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo","Channel confinement and separation properties in an adaptive supramolecular framework using an adamantane tecton","CrystEngComm","2024","26","8","1067","1070","10.1039/D4CE00037D","","x-ray","0.71073","MoKα","","0.115","0.0672","","","0.1635","0.1851","","","","","","1.058","","","","has coordinates,has disorder","290140","2024-03-04","20:06:29",""
"7248063","19.2611","0.0014","7.1873","0.0007","25.1626","0.0019","90","","94.187","0.008","90","","3474.1","0.5","100","0.1","100","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C41 H36 Br4 -","- C41 H36 Br4 -","- C164 H144 Br16 -","4","1","","Lutz, Nicholas; Bicknell, Josephine; Loya, Jesus Daniel; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo","Channel confinement and separation properties in an adaptive supramolecular framework using an adamantane tecton","CrystEngComm","2024","26","8","1067","1070","10.1039/D4CE00037D","","x-ray","0.71073","MoKα","","0.066","0.0493","","","0.101","0.1064","","","","","","1.056","","","","has coordinates","290140","2024-03-04","20:06:29",""
"7248064","10.8095","0.0007","15.4233","0.0009","19.8301","0.001","67.615","0.005","80.075","0.005","74.356","0.005","2934.6","0.3","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C34 H28 Br4 -","- C34 H28 Br4 -","- C136 H112 Br16 -","4","2","","Lutz, Nicholas; Bicknell, Josephine; Loya, Jesus Daniel; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo","Channel confinement and separation properties in an adaptive supramolecular framework using an adamantane tecton","CrystEngComm","2024","26","8","1067","1070","10.1039/D4CE00037D","","x-ray","0.71073","MoKα","","0.1042","0.0524","","","0.1061","0.1219","","","","","","1.032","","","","has coordinates","290140","2024-03-04","20:06:29",""
"7248065","14.4222","0.0015","9.8977","0.0011","15.7318","0.0016","90","","115.349","0.005","90","","2029.4","0.4","298","2","298.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Cl2 Cu N8 O8 -","- C12 H16 Cl2 Cu N8 O8 -","- C48 H64 Cl8 Cu4 N32 O32 -","4","0.5","","Lu, Zu-Jia; Wang, Ting-Wei; Sun, Mou; Xu, Mei-Qi; Zhang, Chao; Yi, Zhen-Xin; Zhang, Jian-Guo","Synthesis of energetic coordination compounds based on pyrazole and 4-chloropyrazole via co-melting crystallization method","CrystEngComm","2024","26","8","1178","1188","10.1039/D3CE01182H","","","0.71073","MoKα","","0.0537","0.0428","","","0.114","0.1202","","","","","","1.072","","","","has coordinates","290142","2024-03-04","20:07:02",""
"7248066","13.6445","0.0013","9.875","0.0009","14.6405","0.0014","90","","112.024","0.005","90","","1828.7","0.3","298","","298","","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Cu N10 O6 -","- C12 H16 Cu N10 O6 -","- C48 H64 Cu4 N40 O24 -","4","0.5","","Lu, Zu-Jia; Wang, Ting-Wei; Sun, Mou; Xu, Mei-Qi; Zhang, Chao; Yi, Zhen-Xin; Zhang, Jian-Guo","Synthesis of energetic coordination compounds based on pyrazole and 4-chloropyrazole via co-melting crystallization method","CrystEngComm","2024","26","8","1178","1188","10.1039/D3CE01182H","","x-ray","0.71073","MoKα","","0.0508","0.0435","","","0.1197","0.1251","","","","","","1.077","","","","has coordinates","290142","2024-03-04","20:07:03",""
"7248067","36.169","0.003","9.9451","0.0009","13.4069","0.0016","90","","90","","90","","4822.5","0.8","298.15","","298.15","","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C12 H12 Cl6 Cu N8 O8 -","- C12 H12 Cl6 Cu N8 O8 -","- C96 H96 Cl48 Cu8 N64 O64 -","8","0.25","","Lu, Zu-Jia; Wang, Ting-Wei; Sun, Mou; Xu, Mei-Qi; Zhang, Chao; Yi, Zhen-Xin; Zhang, Jian-Guo","Synthesis of energetic coordination compounds based on pyrazole and 4-chloropyrazole via co-melting crystallization method","CrystEngComm","2024","26","8","1178","1188","10.1039/D3CE01182H","","","0.71073","MoKα","","0.1081","0.093","","","0.2395","0.2527","","","","","","1.128","","","","has coordinates,has disorder","290142","2024-03-04","20:07:03",""
"7248068","12.171","0.0013","12.171","0.0013","43.96","0.004","90","","90","","120","","5639.5","1","298","2","298.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C27 H33 Cu3 N19 O4 -","- C27 H33 Cu3 N19 O4 -","- C162 H198 Cu18 N114 O24 -","6","0.333333","","Lu, Zu-Jia; Wang, Ting-Wei; Sun, Mou; Xu, Mei-Qi; Zhang, Chao; Yi, Zhen-Xin; Zhang, Jian-Guo","Synthesis of energetic coordination compounds based on pyrazole and 4-chloropyrazole via co-melting crystallization method","CrystEngComm","2024","26","8","1178","1188","10.1039/D3CE01182H","","","0.71073","MoKα","","0.0675","0.056","","","0.1606","0.1678","","","","","","1.117","","","","has coordinates","290142","2024-03-04","20:07:03",""
"7248069","38.031","0.003","7.9094","0.0008","14.7249","0.0011","90","","102.767","0.003","90","","4319.8","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cl4 Cu N10 O6 -","- C12 H12 Cl4 Cu N10 O6 -","- C96 H96 Cl32 Cu8 N80 O48 -","8","1","","Lu, Zu-Jia; Wang, Ting-Wei; Sun, Mou; Xu, Mei-Qi; Zhang, Chao; Yi, Zhen-Xin; Zhang, Jian-Guo","Synthesis of energetic coordination compounds based on pyrazole and 4-chloropyrazole via co-melting crystallization method","CrystEngComm","2024","26","8","1178","1188","10.1039/D3CE01182H","","","0.71073","MoKα","","0.0916","0.0759","","","0.1873","0.1943","","","","","","1.125","","","","has coordinates,has disorder","290142","2024-03-04","20:07:03",""
"7248070","8.7652","0.0004","10.7608","0.0005","11.206","0.0005","103.334","0.0018","92.5999","0.0018","107.653","0.0017","972.43","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16.5 N1.5 O6 U -","- C21 H16.5 N1.5 O6 U -","- C42 H33 N3 O12 U2 -","2","1","","Lee, Young Hoon; Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Uranyl ion coordination polymers with the dibenzobarrelene-based rac- and (R,R)-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate ligands","CrystEngComm","2024","26","9","1278","1291","10.1039/D3CE01176C","","","0.71073","MoKα","","0.024","0.021","","","0.0447","0.0456","","","","","","1.151","","","","has coordinates,has disorder","290155","2024-03-04","20:10:08",""
"7248071","15.7139","0.0005","15.008","0.0005","22.3323","0.0006","90","","96.4976","0.0011","90","","5232.9","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H56 N2 O18 U2 -","- C58 H56 N2 O18 U2 -","- C232 H224 N8 O72 U8 -","4","0.5","","Lee, Young Hoon; Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Uranyl ion coordination polymers with the dibenzobarrelene-based rac- and (R,R)-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate ligands","CrystEngComm","2024","26","9","1278","1291","10.1039/D3CE01176C","","","0.71073","MoKα","","0.0232","0.0194","","","0.041","0.0431","","","","","","1.059","","","","has coordinates","290155","2024-03-04","20:10:09",""
"7248072","8.6348","0.0003","14.3691","0.0005","27.8539","0.0011","93.9567","0.0017","98.1776","0.0017","94.847","0.0016","3397.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H52 N8 Ni O21 U2 -","- C70 H52 N8 Ni O21 U2 -","- C140 H104 N16 Ni2 O42 U4 -","2","1","","Lee, Young Hoon; Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Uranyl ion coordination polymers with the dibenzobarrelene-based rac- and (R,R)-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate ligands","CrystEngComm","2024","26","9","1278","1291","10.1039/D3CE01176C","","","0.71073","MoKα","","0.0387","0.0358","","","0.0785","0.0796","","","","","","1.208","","","","has coordinates","290155","2024-03-04","20:10:09",""
"7248073","28.912","0.0013","11.9986","0.0005","13.6561","0.0005","90","","95.2025","0.0017","90","","4717.8","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H21 N O7 U -","- C22 H21 N O7 U -","- C176 H168 N8 O56 U8 -","8","1","","Lee, Young Hoon; Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Uranyl ion coordination polymers with the dibenzobarrelene-based rac- and (R,R)-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate ligands","CrystEngComm","2024","26","9","1278","1291","10.1039/D3CE01176C","","","0.71073","MoKα","","0.0385","0.034","","","0.087","0.0892","","","","","","1.174","","","","has coordinates","290155","2024-03-04","20:10:09",""
"7248074","8.4166","0.0003","21.8953","0.0007","8.4203","0.0003","90","","93.6517","0.0012","90","","1548.58","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 O6 U -","- C18 H12 O6 U -","- C72 H48 O24 U4 -","4","1","","Lee, Young Hoon; Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Uranyl ion coordination polymers with the dibenzobarrelene-based rac- and (R,R)-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate ligands","CrystEngComm","2024","26","9","1278","1291","10.1039/D3CE01176C","","","0.71073","MoKα","","0.0175","0.0164","","","0.0385","0.039","","","","","","1.119","","","","has coordinates","290155","2024-03-04","20:10:09",""
"7248075","23.3097","0.0006","13.3655","0.0003","13.5379","0.0003","90","","90","","90","","4217.68","0.17","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C102 H76 O16 P2 U2 -","- C102 H76 O16 P2 U2 -","- C204 H152 O32 P4 U4 -","2","0.5","","Lee, Young Hoon; Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Uranyl ion coordination polymers with the dibenzobarrelene-based rac- and (R,R)-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate ligands","CrystEngComm","2024","26","9","1278","1291","10.1039/D3CE01176C","","","0.71073","MoKα","","0.0204","0.019","","","0.04","0.0408","","","","","","1.038","","","","has coordinates","290155","2024-03-04","20:10:09",""
"7248076","17.5195","0.0006","26.5815","0.0007","8.8808","0.0003","90","","90","","90","","4135.7","0.2","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C80 H80 N4 O26 U4 -","- C80 H80 N4 O26 U4 -","- C160 H160 N8 O52 U8 -","2","0.5","","Lee, Young Hoon; Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Uranyl ion coordination polymers with the dibenzobarrelene-based rac- and (R,R)-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate ligands","CrystEngComm","2024","26","9","1278","1291","10.1039/D3CE01176C","","","0.71073","MoKα","","0.0605","0.0472","","","0.0992","0.1058","","","","","","1.035","","","","has coordinates,has disorder","290155","2024-03-04","20:10:09",""
"7248077","15.4596","0.0004","15.193","0.0004","21.8735","0.0005","90","","95.5571","0.0009","90","","5113.5","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H43 Ag2 N2 O16.5 U2 -","- C58 H42 Ag2 N2 O16.5 U2 -","- C232 H168 Ag8 N8 O66 U8 -","4","0.5","","Lee, Young Hoon; Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Uranyl ion coordination polymers with the dibenzobarrelene-based rac- and (R,R)-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate ligands","CrystEngComm","2024","26","9","1278","1291","10.1039/D3CE01176C","","","0.71073","MoKα","","0.0183","0.0182","","","0.0465","0.0466","","","","","","1.073","","","","has coordinates","290155","2024-03-04","20:10:09",""
"7248078","5.4476","0.0004","9.339","0.0008","15.3977","0.0012","75.371","0.003","87.564","0.002","85.468","0.003","755.39","0.1","100","","100","","","","","","","","","4","P 1","P 1","1","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C36 H40 N4 O4 -","2","2","","Wu, Jilai; Zhou, Likai; Xie, Song; Wei, Chao; Li, Xiaoliu; Chen, Hua","Synthesis of 3-arylamino-2-polyhydroxyalkyl-substituted indoles from unprotected saccharides and anilines","Green Chemistry","2024","26","4","1883","1888","10.1039/D3GC04440H","","","0.71073","MoKα","","0.08","0.0546","","","0.112","0.1295","","","","","","1.061","","","","has coordinates","290219","2024-03-04","20:32:01",""
"7248079","6.163","0.002","10.528","0.004","32.488","0.012","90","","90","","90","","2108","1.3","273","","273","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C96 H104 N8 O16 -","8","2","","Wu, Jilai; Zhou, Likai; Xie, Song; Wei, Chao; Li, Xiaoliu; Chen, Hua","Synthesis of 3-arylamino-2-polyhydroxyalkyl-substituted indoles from unprotected saccharides and anilines","Green Chemistry","2024","26","4","1883","1888","10.1039/D3GC04440H","","","0.71073","MoKα","","0.1167","0.06","","","0.1327","0.1568","","","","","","1.091","","","","has coordinates","290219","2024-03-04","20:32:02",""
"7248080","6.802","0.0005","21.332","0.002","13.2767","0.0012","90","","97.576","0.003","90","","1909.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H16 N8 O20 Th -","- C4 H16 N8 O20 Th -","- C16 H64 N32 O80 Th4 -","4","1","","Shore, Madeline C.; Nicholas, Aaron D.; Vasiliu, Monica; Edwards, Kyle C.; de Melo, Gabriel F.; Bertke, Jeffery A.; Dixon, David A.; Knope, Karah E.","Structural chemistry of penta- and hexanitrato thorium(iv) complexes isolated using N–H donors","CrystEngComm","2024","26","10","1380","1398","10.1039/D3CE01319G","","","0.71073","MoKα","","0.016","0.0142","","","0.034","0.0346","","","","","","1.124","","","","has coordinates","290882","2024-04-04","23:05:46",""
"7248081","9.1818","0.0008","15.7857","0.0013","16.523","0.002","68.362","0.004","89.898","0.004","75.32","0.002","2142.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 N14 O28 Th -","- C30 H34 N14 O28 Th -","- C60 H68 N28 O56 Th2 -","2","1","","Shore, Madeline C.; Nicholas, Aaron D.; Vasiliu, Monica; Edwards, Kyle C.; de Melo, Gabriel F.; Bertke, Jeffery A.; Dixon, David A.; Knope, Karah E.","Structural chemistry of penta- and hexanitrato thorium(iv) complexes isolated using N–H donors","CrystEngComm","2024","26","10","1380","1398","10.1039/D3CE01319G","","","0.71073","MoKα","","0.0302","0.0231","","","0.0403","0.0417","","","","","","1.072","","","","has coordinates","290882","2024-04-04","23:05:47",""
"7248082","12.2065","0.001","12.3878","0.001","19.2532","0.0016","90","","108.057","0.002","90","","2767.9","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 N10 O21 Th -","- C15 H18 N10 O21 Th -","- C60 H72 N40 O84 Th4 -","4","0.5","","Shore, Madeline C.; Nicholas, Aaron D.; Vasiliu, Monica; Edwards, Kyle C.; de Melo, Gabriel F.; Bertke, Jeffery A.; Dixon, David A.; Knope, Karah E.","Structural chemistry of penta- and hexanitrato thorium(iv) complexes isolated using N–H donors","CrystEngComm","2024","26","10","1380","1398","10.1039/D3CE01319G","","","0.71073","MoKα","","0.0173","0.0157","","","0.0347","0.0353","","","","","","1.17","","","","has coordinates","290882","2024-04-04","23:05:47",""
"7248083","7.5205","0.0003","9.4305","0.0004","19.2896","0.0008","86.993","0.001","83.564","0.001","81.812","0.001","1344.65","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N10 O21 Th -","- C15 H15 N10 O21 Th -","- C30 H30 N20 O42 Th2 -","2","1","","Shore, Madeline C.; Nicholas, Aaron D.; Vasiliu, Monica; Edwards, Kyle C.; de Melo, Gabriel F.; Bertke, Jeffery A.; Dixon, David A.; Knope, Karah E.","Structural chemistry of penta- and hexanitrato thorium(iv) complexes isolated using N–H donors","CrystEngComm","2024","26","10","1380","1398","10.1039/D3CE01319G","","","0.71073","MoKα","","0.0256","0.0196","","","0.0336","0.0348","","","","","","1.029","","","","has coordinates","290882","2024-04-04","23:05:47",""
"7248084","10.1866","0.0007","13.3824","0.0009","13.089","0.0009","90","","95.951","0.002","90","","1774.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N12 O24 Th -","- C20 H24 N12 O24 Th -","- C40 H48 N24 O48 Th2 -","2","0.5","","Shore, Madeline C.; Nicholas, Aaron D.; Vasiliu, Monica; Edwards, Kyle C.; de Melo, Gabriel F.; Bertke, Jeffery A.; Dixon, David A.; Knope, Karah E.","Structural chemistry of penta- and hexanitrato thorium(iv) complexes isolated using N–H donors","CrystEngComm","2024","26","10","1380","1398","10.1039/D3CE01319G","","","0.71073","MoKα","","0.0209","0.0178","","","0.0464","0.0485","","","","","","1.081","","","","has coordinates,has disorder","290882","2024-04-04","23:05:47",""
"7248085","8.8462","0.0006","13.2604","0.0009","11.0517","0.0007","90","","101.802","0.002","90","","1269","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 N8 O18 Th -","- C14 H20 N8 O18 Th -","- C28 H40 N16 O36 Th2 -","2","0.5","","Shore, Madeline C.; Nicholas, Aaron D.; Vasiliu, Monica; Edwards, Kyle C.; de Melo, Gabriel F.; Bertke, Jeffery A.; Dixon, David A.; Knope, Karah E.","Structural chemistry of penta- and hexanitrato thorium(iv) complexes isolated using N–H donors","CrystEngComm","2024","26","10","1380","1398","10.1039/D3CE01319G","","","0.71073","MoKα","","0.0324","0.018","","","0.0362","0.0399","","","","","","1.078","","","","has coordinates","290882","2024-04-04","23:05:47",""
"7248086","19.3201","0.0009","10.8154","0.0005","13.1377","0.0006","90","","109.58","0.001","90","","2586.4","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 N10 O18 Th -","- C16 H14 N10 O18 Th -","- C64 H56 N40 O72 Th4 -","4","0.5","","Shore, Madeline C.; Nicholas, Aaron D.; Vasiliu, Monica; Edwards, Kyle C.; de Melo, Gabriel F.; Bertke, Jeffery A.; Dixon, David A.; Knope, Karah E.","Structural chemistry of penta- and hexanitrato thorium(iv) complexes isolated using N–H donors","CrystEngComm","2024","26","10","1380","1398","10.1039/D3CE01319G","","","0.71073","MoKα","","0.0395","0.0208","","","0.0367","0.0409","","","","","","1.015","","","","has coordinates","290882","2024-04-04","23:05:47",""
"7248087","8.5991","0.0005","10.9119","0.0006","12.5427","0.0007","90","","94.099","0.001","90","","1173.9","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 N8 O18 Th -","- C12 H16 N8 O18 Th -","- C24 H32 N16 O36 Th2 -","2","0.5","","Shore, Madeline C.; Nicholas, Aaron D.; Vasiliu, Monica; Edwards, Kyle C.; de Melo, Gabriel F.; Bertke, Jeffery A.; Dixon, David A.; Knope, Karah E.","Structural chemistry of penta- and hexanitrato thorium(iv) complexes isolated using N–H donors","CrystEngComm","2024","26","10","1380","1398","10.1039/D3CE01319G","","","0.71073","MoKα","","0.0175","0.0151","","","0.0344","0.0352","","","","","","1.208","","","","has coordinates","290882","2024-04-04","23:05:47",""
"7248088","17.3812","0.0015","18.9121","0.0015","13.497","0.0011","90","","113.819","0.003","90","","4058.8","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 N14 O24 Th -","- C30 H26 N14 O24 Th -","- C120 H104 N56 O96 Th4 -","4","0.5","","Shore, Madeline C.; Nicholas, Aaron D.; Vasiliu, Monica; Edwards, Kyle C.; de Melo, Gabriel F.; Bertke, Jeffery A.; Dixon, David A.; Knope, Karah E.","Structural chemistry of penta- and hexanitrato thorium(iv) complexes isolated using N–H donors","CrystEngComm","2024","26","10","1380","1398","10.1039/D3CE01319G","","","0.71073","MoKα","","0.0164","0.0159","","","0.0409","0.0411","","","","","","1.122","","","","has coordinates","290882","2024-04-04","23:05:47",""
"7248089","11.1786","0.0009","18.1915","0.0015","16.9407","0.0014","90","","93.437","0.003","90","","3438.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 N10 O21 Th -","- C21 H30 N10 O21 Th -","- C84 H120 N40 O84 Th4 -","4","1","","Shore, Madeline C.; Nicholas, Aaron D.; Vasiliu, Monica; Edwards, Kyle C.; de Melo, Gabriel F.; Bertke, Jeffery A.; Dixon, David A.; Knope, Karah E.","Structural chemistry of penta- and hexanitrato thorium(iv) complexes isolated using N–H donors","CrystEngComm","2024","26","10","1380","1398","10.1039/D3CE01319G","","","0.71073","MoKα","","0.0273","0.0235","","","0.0539","0.0553","","","","","","1.078","","","","has coordinates","290882","2024-04-04","23:05:47",""
"7248090","11.19","0.0005","13.4371","0.0005","7.0568","0.0003","90","","98.472","0.003","90","","1049.49","0.08","299.82","0.1","299.82","0.1","","","","","","","","3","C 1 2/m 1","-C 2y","12","","MTQ","","- C27 H16 N4 -","- C27 H15.5 N4 -","- C54 H31 N8 -","2","0.25","","Wen, Xinyi; Shao, Yixin; Chen, Ye-Tao; He, Jiaxing; Chen, Shun-Li; Dang, Li; Li, Ming-De","Dual-rotor strategy for organic cocrystals with enhanced near-infrared photothermal conversion","RSC Advances","2024","14","7","4503","4508","10.1039/D4RA00002A","","x-ray","1.54184","CuKα","","0.0691","0.0609","","","0.1871","0.197","","","","","","1.093","","","","has coordinates,has disorder","289299","2024-02-03","02:24:46",""
"7248091","6.7935","0.0003","8.9755","0.0004","17.3317","0.0007","102.064","0.004","90.087","0.003","96.951","0.004","1025.47","0.08","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","DTQ","","- C28 H18 N4 -","- C28 H18 N4 -","- C56 H36 N8 -","2","1","","Wen, Xinyi; Shao, Yixin; Chen, Ye-Tao; He, Jiaxing; Chen, Shun-Li; Dang, Li; Li, Ming-De","Dual-rotor strategy for organic cocrystals with enhanced near-infrared photothermal conversion","RSC Advances","2024","14","7","4503","4508","10.1039/D4RA00002A","","x-ray","1.54184","CuKα","","0.0407","0.0389","","","0.1103","0.1122","","","","","","1.04","","","","has coordinates","289299","2024-02-03","02:24:47",""
"7248092","7.7988","0.0002","8.4619","0.0002","16.7251","0.0004","82.874","0.002","80.374","0.002","83.233","0.002","1074.46","0.05","99.98","0.1","99.98","0.1","","","","","","","","4","P -1","-P 1","2","","DFQ","","- C28 H14 F4 N4 -","- C28 H14 F4 N4 -","- C56 H28 F8 N8 -","2","1","","Wen, Xinyi; Shao, Yixin; Chen, Ye-Tao; He, Jiaxing; Chen, Shun-Li; Dang, Li; Li, Ming-De","Dual-rotor strategy for organic cocrystals with enhanced near-infrared photothermal conversion","RSC Advances","2024","14","7","4503","4508","10.1039/D4RA00002A","","x-ray","1.54184","CuKα","","0.0386","0.0371","","","0.0991","0.1007","","","","","","1.068","","","","has coordinates","289299","2024-02-03","02:24:47",""
"7248093","12.729","0.009","15.65","0.003","19.849","0.005","91.255","0.005","91.14","0.03","103.68","0.03","3840","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C146.4 H175.2 N16 O25.2 S9.2 -","- C146.4 H175.2 N16 O25.2 S9.2 -","- C146.4 H175.2 N16 O25.2 S9.2 -","1","0.5","","Milone, Marco; Pisagatti, Ilenia; Gattuso, Giuseppe; Notti, Anna; Parisi, Melchiorre F.; Brancatelli, Giovanna; Hickey, Neal; Geremia, Silvano","Influence of H-bond competitors on the solvent-dependent structures of an octaurea-calix[4]tube","RSC Advances","2024","14","7","4448","4455","10.1039/D3RA08764F","","","0.7","synchrotron","","0.1571","0.1229","","","0.3308","0.3694","","","","","","1.007","","","","has coordinates,has disorder","289300","2024-02-03","02:25:23",""
"7248094","40.093","0.014","22.414","0.005","18.799","0.003","90","","107.521","0.012","90","","16110","7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C143.2 H169.6 N16 O25.6 S7.6 -","- C135.2 H145.6 N16 O21.6 S3.6 -","- C540.8 H582.4 N64 O86.4 S14.4 -","4","0.5","","Milone, Marco; Pisagatti, Ilenia; Gattuso, Giuseppe; Notti, Anna; Parisi, Melchiorre F.; Brancatelli, Giovanna; Hickey, Neal; Geremia, Silvano","Influence of H-bond competitors on the solvent-dependent structures of an octaurea-calix[4]tube","RSC Advances","2024","14","7","4448","4455","10.1039/D3RA08764F","","","1","synchrotron","","0.1539","0.141","","","0.3647","0.381","","","","","","1.104","","","","has coordinates,has disorder","289300","2024-02-03","02:25:24",""
"7248095","9.2475","0.0173","9.9092","0.0187","11.8955","0.0222","70.528","0.022","67.961","0.021","73.477","0.023","937","3","300","2","300","2","","","","","","","","7","P -1","-P 1","2","","3-(4-chlorophenyl)-2-((4-fluorophenyl)selanyl)benzo[4,5] imidazo[2,1-b]thiazole","","- C21 H12 Cl F N2 S Se -","- C21 H12 Cl F N2 S Se -","- C42 H24 Cl2 F2 N4 S2 Se2 -","2","1","","Ghosh, Prasanjit; Chhetri, Gautam; Mandal, Anirban; Chen, Yu; Hersh, William H.; Das, Sajal","C(sp2)–H selenylation of substituted benzo[4,5]imidazo[2,1-b]thiazoles using phenyliodine(iii)bis(trifluoroacetate) as a mediator","RSC Advances","2024","14","7","4462","4470","10.1039/D4RA00057A","","","0.71073","MoKα","","0.0637","0.0332","","","0.0713","0.0782","","","","","","0.925","","","","has coordinates","289301","2024-02-03","02:25:39",""
"7248096","14.5892","0.0009","21.9646","0.0015","26.1741","0.0017","90","","90","","90","","8387.4","0.9","296.15","","296.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C54 H55 Co3 N6 O57 W12 -","- C54 H44 Co3 N6 O52 W12 -","- C216 H176 Co12 N24 O208 W48 -","4","1","","Wang, Xiuli; Yang, Lin; Zhang, Zhong","Structure-induced selective adsorption of diverse dyes and Cr(vi) photoreduction using two new polyoxometalate-based metal–viologen complexes","CrystEngComm","2024","26","10","1363","1370","10.1039/D3CE01227A","","x-ray","0.71073","MoKα","K-L~3~","0.1123","0.0616","","","0.1243","0.1468","","","","","","1.014","","","","has coordinates,has disorder","290878","2024-04-04","23:03:43",""
"7248097","13.0872","0.0006","13.6972","0.0007","19.4602","0.0009","95.412","0.001","106.144","0.001","93.091","0.001","3324.2","0.3","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C72 H75 Cu N8 O95 P2 W24 -","- C72 H66 Cu N8 O91 P2 W24 -","- C72 H66 Cu N8 O91 P2 W24 -","1","0.5","","Wang, Xiuli; Yang, Lin; Zhang, Zhong","Structure-induced selective adsorption of diverse dyes and Cr(vi) photoreduction using two new polyoxometalate-based metal–viologen complexes","CrystEngComm","2024","26","10","1363","1370","10.1039/D3CE01227A","","x-ray","0.71073","MoKα","K-L~3~","0.0781","0.0454","","","0.1089","0.1223","","","","","","1.017","","","","has coordinates","290878","2024-04-04","23:03:44",""
"7248098","7.9767","0.0007","9.0843","0.0008","9.3456","0.0008","86.352","0.006","69.069","0.005","74.829","0.005","610.14","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 Cl8 N4 Sb2 -","- C12 H18 Cl8 N4 Sb2 -","- C12 H18 Cl8 N4 Sb2 -","1","0.5","","Chaabane, I.; Rekik, W.; Ghalla, H.; Zaghrioui, M.; Lhoste, J.; Oueslati, A.","Crystal structure, optical characterization, conduction and relaxation mechanisms of a new hybrid compound (C<sub>6</sub>H<sub>9</sub>N<sub>2</sub>)<sub>2</sub>[Sb<sub>2</sub>Cl<sub>8</sub>].","RSC advances","2024","14","5","3588","3598","10.1039/d3ra08885e","","","0.71073","MoKα","","0.0341","0.0256","","","0.0424","0.0451","","","","","","1.038","","","","has coordinates","289309","2024-02-04","10:00:41",""
"7248099","34.8261","0.0006","34.8261","0.0006","17.3791","0.0004","90","","90","","120","","18254.4","0.6","152.99","","152.99","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H31 Cu6 N6 O24 -","- C42 H31 Cu6 N6 O24 -","- C252 H186 Cu36 N36 O144 -","6","0.25","","Li, Hong-Xin; Zhang, Zong-Hui; Fang, Han; Guo, Xin-Ai; Du, Guo-Tong; Wang, Qin; Xue, Dong-Xu","A (4,6)-c copper–organic framework constructed from triazole-inserted dicarboxylate linker with CO2 selective adsorption","CrystEngComm","2024","26","9","1204","1208","10.1039/D3CE01217D","","","1.54178","CuKα","","0.1682","0.1401","","","0.408","0.4432","","","","","","1.79","","","","has coordinates,has disorder","290154","2024-03-04","20:09:52",""
"7248100","9.5606","0.0002","22.0542","0.0004","9.7194","0.0002","90","","108.419","0.002","90","","1944.36","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-benzoyl-1-(4-fluorophenyl)-9-methyl-1,5,6,10b-tetrahydro-[1,2,4]triazolo[5,1-a]isoquinolin-2(3H)-one","","- C24 H20 F N3 O2 -","- C24 H20 F N3 O2 -","- C96 H80 F4 N12 O8 -","4","1","","Chen, Lei; Yang, Peiyao; Wang, Qiuying; Zhao, Zhongxiang; Cui, Hui; Zhu, Liping","Transition-metal-free [3 + 2] cycloaddition of C,N-cycloazomethylimines with in situ formed isocyanates from dioxazolones: a facile synthesis of triazolinones","Green Chemistry","2024","26","6","3522","3526","10.1039/D3GC04556K","","x-ray","1.54184","CuKα","","0.0455","0.0403","","","0.1077","0.1118","","","","","","1.061","","","","has coordinates","291001","2024-04-04","23:54:49",""
"7248101","9.4933","0.0003","9.0418","0.0003","21.8135","0.0009","90","","101.356","0.004","90","","1835.74","0.12","170","0.1","170","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C10 H10 N2 O -","- C10 H10 N2 O -","- C80 H80 N16 O8 -","8","1","","Chen, Yichun; Lu, Ziqi; He, Wenfen; Zhu, Huanyi; Lu, Weilong; Shi, Junjun; Sheng, Jie; Xie, Wucheng","Rhodium-catalyzed annulation of hydrazines with vinylene carbonate to synthesize unsubstituted 1-aminoindole derivatives","RSC Advances","2024","14","7","4804","4809","10.1039/D3RA07466H","","x-ray","1.54184","CuKα","","0.0542","0.049","","","0.1323","0.1388","","","","","","1.035","","","","has coordinates","289733","2024-02-07","02:24:29",""
"7248102","8.7171","0.0003","12.9296","0.0005","14.2643","0.0005","90","","90","","90","","1607.71","0.1","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,4-bis(4,5-diiodoimidazol-1-yl)butane","","- C10 H10 I4 N4 -","- C10 H10 I4 N4 -","- C40 H40 I16 N16 -","4","0.5","","Zaguzin, Alexander S.; Zaitsev, Artem V.; Korobeynikov, Nikita A.; Novikov, Alexander S.; Usoltsev, Andrey N.; Fedin, Vladimir P.; Adonin, Sergey A.","4,5-Diiodo-1-H-imidazole-derived linker ligand and Cu(i) and Co(ii) coordination polymers based thereupon","CrystEngComm","2024","26","11","1607","1612","10.1039/D4CE00072B","","","0.71073","MoKα","","0.0139","0.0134","","","0.0311","0.0313","","","","","","1.195","","","","has coordinates","290900","2024-04-04","23:09:59",""
"7248103","11.0164","0.0005","15.4161","0.0006","12.9223","0.0005","90","","103.359","0.002","90","","2135.21","0.15","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Cu2 I6 N4 -","- C10 H10 Cu2 I6 N4 -","- C40 H40 Cu8 I24 N16 -","4","1","","Zaguzin, Alexander S.; Zaitsev, Artem V.; Korobeynikov, Nikita A.; Novikov, Alexander S.; Usoltsev, Andrey N.; Fedin, Vladimir P.; Adonin, Sergey A.","4,5-Diiodo-1-H-imidazole-derived linker ligand and Cu(i) and Co(ii) coordination polymers based thereupon","CrystEngComm","2024","26","11","1607","1612","10.1039/D4CE00072B","","","0.71073","MoKα","","0.0221","0.0195","","","0.0435","0.0447","","","","","","1.05","","","","has coordinates","290900","2024-04-04","23:10:00",""
"7248104","12.379","0.006","16.228","0.007","14.155","0.01","90","","107.332","0.016","90","","2714","3","200","","200","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14.5 H20.5 Cl2 Co I4 N5.5 O1.5 -","- C10 H10 Cl2 Co I4 N4 -","- C40 H40 Cl8 Co4 I16 N16 -","4","0.5","","Zaguzin, Alexander S.; Zaitsev, Artem V.; Korobeynikov, Nikita A.; Novikov, Alexander S.; Usoltsev, Andrey N.; Fedin, Vladimir P.; Adonin, Sergey A.","4,5-Diiodo-1-H-imidazole-derived linker ligand and Cu(i) and Co(ii) coordination polymers based thereupon","CrystEngComm","2024","26","11","1607","1612","10.1039/D4CE00072B","","","0.71073","MoKα","","0.0378","0.0268","","","0.0561","0.0589","","","","","","1.04","","","","has coordinates,has disorder","290900","2024-04-04","23:10:01",""
"7248105","9.7501","0.0006","8.8976","0.0005","24.5696","0.0016","90","","90","","90","","2131.5","0.2","298.15","","298.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H5 N9 O7 -","- C5 H5 N9 O7 -","- C40 H40 N72 O56 -","8","1","","Lv, Hongyu; Song, Siwei; Yin, Dangyue; Jiang, Xiue; Li, Yang; Li, Zhiwei; Ao, Wen; Wang, Yi; Zhang, Qinghua","Assembly of thermostable fused compounds with oxidizers for laser-ignited energetic materials","CrystEngComm","2024","26","12","1738","1746","10.1039/D4CE00006D","","","0.71073","MoKα","","0.0703","0.0429","","","0.0991","0.1107","","","","","","1.046","","","","has coordinates","290909","2024-04-04","23:12:41",""
"7248106","7.2532","0.0004","12.1486","0.0008","13.3337","0.0008","90","","104.28","0.002","90","","1138.61","0.12","181","","181","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Cl N8 O8 -","- C5 H5 Cl N8 O8 -","- C20 H20 Cl4 N32 O32 -","4","1","","Lv, Hongyu; Song, Siwei; Yin, Dangyue; Jiang, Xiue; Li, Yang; Li, Zhiwei; Ao, Wen; Wang, Yi; Zhang, Qinghua","Assembly of thermostable fused compounds with oxidizers for laser-ignited energetic materials","CrystEngComm","2024","26","12","1738","1746","10.1039/D4CE00006D","","","0.71073","MoKα","","0.0476","0.0365","","","0.0887","0.0982","","","","","","1.04","","","","has coordinates","290909","2024-04-04","23:12:41",""
"7248107","15.64","0.04","12.14","0.03","8.31","0.02","90","","112.61","0.03","90","","1457","6","170","2","170","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H6 Br4 N2 -","- C12 H6 Br4 N2 -","- C48 H24 Br16 N8 -","4","0.5","","McGehee, Keegan; Saito, Koichiro; Kwaria, Dennis; Minamikawa, Hiroyuki; Norikane, Yasuo","Releasing a bound molecular spring with light: a visible light-triggered photosalient effect tied to polymorphism.","Physical chemistry chemical physics : PCCP","2024","26","8","6834","6843","10.1039/d3cp04691e","","","0.71075","MoKα","","0.082","0.0626","","","0.1711","0.1846","","","","","","1.069","","","","has coordinates","290279","2024-03-04","20:45:21",""
"7248108","11.13","0.02","7.52","0.013","16.82","0.03","90","","109.223","0.019","90","","1329","4","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 Br4 N2 -","- C12 H6 Br4 N2 -","- C48 H24 Br16 N8 -","4","1","","McGehee, Keegan; Saito, Koichiro; Kwaria, Dennis; Minamikawa, Hiroyuki; Norikane, Yasuo","Releasing a bound molecular spring with light: a visible light-triggered photosalient effect tied to polymorphism.","Physical chemistry chemical physics : PCCP","2024","26","8","6834","6843","10.1039/d3cp04691e","","","0.71075","MoKα","","0.1802","0.1144","","","0.2395","0.2757","","","","","","1.119","","","","has coordinates","290279","2024-03-04","20:45:22",""
"7248109","23.3728","0.0011","8.6091","0.0004","14.1715","0.0007","90","","102.079","0.005","90","","2788.4","0.2","170.15","","170.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 Br4 N2 -","- C12 H6 Br4 N2 -","- C96 H48 Br32 N16 -","8","2","","McGehee, Keegan; Saito, Koichiro; Kwaria, Dennis; Minamikawa, Hiroyuki; Norikane, Yasuo","Releasing a bound molecular spring with light: a visible light-triggered photosalient effect tied to polymorphism.","Physical chemistry chemical physics : PCCP","2024","26","8","6834","6843","10.1039/d3cp04691e","","x-ray","0.71073","MoKα","","0.0788","0.0411","","","0.0836","0.0947","","","","","","1.015","","","","has coordinates,has disorder","290279","2024-03-04","20:45:22",""
"7248110","9.3292","0.0016","14.298","0.002","14.191","0.003","90","","96.46","0.006","90","","1880.9","0.6","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N3 S -","- C23 H17 N3 S -","- C92 H68 N12 S4 -","4","1","","Vinayagam, Dhandapani; Subramanian, Karpagam","A phenothiazine-functionalized pyridine-based AIEE-active molecule: a versatile molecular probe for highly sensitive detection of hypochlorite and picric acid","RSC Advances","2024","14","8","5149","5158","10.1039/D3RA08451E","","x-ray","0.71073","MoKα","","0.1149","0.0547","","","0.1015","0.1283","","","","","","1.055","","","","has coordinates","289765","2024-02-09","02:31:59",""
"7248111","14.52","0.0007","9.3992","0.0005","15.1096","0.0008","90","","112.583","0.002","90","","1903.99","0.17","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N3 O -","- C23 H21 N3 O -","- C92 H84 N12 O4 -","4","1","","Kaenpracha, Chaowat; Katrun, Praewpan; Chainok, Kittipong; Sukpattanacharoen, Chattarika; Kungwan, Nawee; Boonmak, Jaursup","Photoinduced enhancement of intraligand charge-transfer of a crystalline 3,3′-diindolyl(3-pyridyl)methane","CrystEngComm","2024","26","10","1438","1443","10.1039/D3CE01283B","","","0.71073","MoKα","","0.0928","0.0694","","","0.1599","0.173","","","","","","1.0789","","","","has coordinates","290881","2024-04-04","23:05:29",""
"7248112","14.4831","0.0018","9.3913","0.0009","15.0356","0.0019","90","","112.58","0.004","90","","1888.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N3 O -","- C23 H21 N3 O -","- C92 H84 N12 O4 -","4","1","","Kaenpracha, Chaowat; Katrun, Praewpan; Chainok, Kittipong; Sukpattanacharoen, Chattarika; Kungwan, Nawee; Boonmak, Jaursup","Photoinduced enhancement of intraligand charge-transfer of a crystalline 3,3′-diindolyl(3-pyridyl)methane","CrystEngComm","2024","26","10","1438","1443","10.1039/D3CE01283B","","","0.71073","MoKα","","0.1776","0.1189","","","0.3019","0.4517","","","","","","1.619","","","","has coordinates","290881","2024-04-04","23:05:30",""
"7248113","14.4915","0.0018","9.3952","0.0009","15.0402","0.0019","90","","112.575","0.004","90","","1890.8","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N3 O -","- C23 H21 N3 O -","- C92 H84 N12 O4 -","4","1","","Kaenpracha, Chaowat; Katrun, Praewpan; Chainok, Kittipong; Sukpattanacharoen, Chattarika; Kungwan, Nawee; Boonmak, Jaursup","Photoinduced enhancement of intraligand charge-transfer of a crystalline 3,3′-diindolyl(3-pyridyl)methane","CrystEngComm","2024","26","10","1438","1443","10.1039/D3CE01283B","","","0.71073","MoKα","","0.1787","0.1197","","","0.3027","0.4518","","","","","","1.6254","","","","has coordinates","290881","2024-04-04","23:05:30",""
"7248114","14.5114","0.0018","9.3994","0.0011","15.0586","0.0018","90","","112.506","0.004","90","","1897.5","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N3 O -","- C23 H21 N3 O -","- C92 H84 N12 O4 -","4","1","","Kaenpracha, Chaowat; Katrun, Praewpan; Chainok, Kittipong; Sukpattanacharoen, Chattarika; Kungwan, Nawee; Boonmak, Jaursup","Photoinduced enhancement of intraligand charge-transfer of a crystalline 3,3′-diindolyl(3-pyridyl)methane","CrystEngComm","2024","26","10","1438","1443","10.1039/D3CE01283B","","","0.71073","MoKα","","0.1548","0.1083","","","0.2779","0.4118","","","","","","1.5726","","","","has coordinates","290881","2024-04-04","23:05:30",""
"7248115","14.4807","0.0019","9.3916","0.001","15.0389","0.0019","90","","112.567","0.004","90","","1888.6","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N3 O -","- C23 H21 N3 O -","- C92 H84 N12 O4 -","4","1","","Kaenpracha, Chaowat; Katrun, Praewpan; Chainok, Kittipong; Sukpattanacharoen, Chattarika; Kungwan, Nawee; Boonmak, Jaursup","Photoinduced enhancement of intraligand charge-transfer of a crystalline 3,3′-diindolyl(3-pyridyl)methane","CrystEngComm","2024","26","10","1438","1443","10.1039/D3CE01283B","","","0.71073","MoKα","","0.173","0.1119","","","0.2865","0.4333","","","","","","1.5304","","","","has coordinates","290881","2024-04-04","23:05:30",""
"7248116","14.4804","0.0019","9.3873","0.001","15.0373","0.0019","90","","112.596","0.004","90","","1887.1","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N3 O -","- C23 H21 N3 O -","- C92 H84 N12 O4 -","4","1","","Kaenpracha, Chaowat; Katrun, Praewpan; Chainok, Kittipong; Sukpattanacharoen, Chattarika; Kungwan, Nawee; Boonmak, Jaursup","Photoinduced enhancement of intraligand charge-transfer of a crystalline 3,3′-diindolyl(3-pyridyl)methane","CrystEngComm","2024","26","10","1438","1443","10.1039/D3CE01283B","","","0.71073","MoKα","","0.1708","0.1228","","","0.3134","0.4094","","","","","","1.5692","","","","has coordinates","290881","2024-04-04","23:05:30",""
"7248117","14.5277","0.0005","9.4021","0.0004","15.0821","0.0006","90","","112.559","0.001","90","","1902.45","0.13","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N3 O -","- C23 H21 N3 O -","- C92 H84 N12 O4 -","4","1","","Kaenpracha, Chaowat; Katrun, Praewpan; Chainok, Kittipong; Sukpattanacharoen, Chattarika; Kungwan, Nawee; Boonmak, Jaursup","Photoinduced enhancement of intraligand charge-transfer of a crystalline 3,3′-diindolyl(3-pyridyl)methane","CrystEngComm","2024","26","10","1438","1443","10.1039/D3CE01283B","","","0.71073","MoKα","","0.0964","0.0746","","","0.1557","0.1672","","","","","","1.0891","","","","has coordinates","290881","2024-04-04","23:05:30",""
"7248118","13.5911","0.0003","14.1632","0.0004","23.9764","0.0006","94.222","0.002","93.435","0.002","106.38","0.002","4400.2","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C108.85 H90.7 Cl0.7 O3.75 -","- C108.85 H90.7 Cl0.7 O3.75 -","- C217.7 H181.4 Cl1.4 O7.5 -","2","1","","Younes, Eyad A.; Hammad, Yamen J.; Salami, Fatemeh; Rasras, Anas J.; Al-Qawasmeh, Raed A.; Zhao, Yuming","Electron-donating arene-substituted pentacenedione derivatives: a study of structural, electronic, and electrochemical properties","RSC Advances","2024","14","8","5331","5339","10.1039/D3RA05173K","","x-ray","1.54184","CuKα","","0.1345","0.1026","","","0.3072","0.3434","","","","","","1.269","","","","has coordinates,has disorder","289779","2024-02-10","02:24:15",""
"7248119","7.3252","0.0001","22.6642","0.0002","23.2798","0.0002","90","","92.451","0.001","90","","3861.37","0.07","100","2","100","2","","","","","","","","3","I 1 a 1","I -2ya","9","","","","- C52 H38 O6 -","- C52 H38 O6 -","- C208 H152 O24 -","4","1","","Younes, Eyad A.; Hammad, Yamen J.; Salami, Fatemeh; Rasras, Anas J.; Al-Qawasmeh, Raed A.; Zhao, Yuming","Electron-donating arene-substituted pentacenedione derivatives: a study of structural, electronic, and electrochemical properties","RSC Advances","2024","14","8","5331","5339","10.1039/D3RA05173K","","x-ray","1.54184","CuKα","","0.0449","0.0434","","","0.1115","0.1127","","","","","","1.056","","","","has coordinates","289779","2024-02-10","02:24:16",""
"7248120","15.9867","0.0009","5.3642","0.0003","21.1924","0.0011","90","","103.788","0.002","90","","1765","0.17","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H28 N2 O2 -","- C17 H27 N2 O2 -","- C68 H108 N8 O8 -","4","1","","Camargo-Ayala, Lorena; Bedoya, Mauricio; Prent-Peñaloza, Luis; Polo-Cuadrado, Efraín; Osorio, Edison; Brito, Iván; Delgado, Gerzon E.; González, Wendy; Gutierrez, Margarita","Crystal structure, quantum chemical insights, and molecular docking studies of Naryl-2-(N-disubstituted) acetamide compounds: potential inhibitors for neurodegenerative enzymes","RSC Advances","2024","14","8","5222","5233","10.1039/D3RA08649F","","","0.71073","MoKα","","0.172","0.0843","","","0.2074","0.2756","","","","","","1.081","","","","has coordinates,has disorder","289780","2024-02-10","02:24:56",""
"7248121","4.763","0.007","10.544","0.016","15.14","0.02","90","","96.49","0.04","90","","755.5","1.9","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 N2 O -","- C17 H20 N2 O -","- C34 H40 N4 O2 -","2","1","","Camargo-Ayala, Lorena; Bedoya, Mauricio; Prent-Peñaloza, Luis; Polo-Cuadrado, Efraín; Osorio, Edison; Brito, Iván; Delgado, Gerzon E.; González, Wendy; Gutierrez, Margarita","Crystal structure, quantum chemical insights, and molecular docking studies of Naryl-2-(N-disubstituted) acetamide compounds: potential inhibitors for neurodegenerative enzymes","RSC Advances","2024","14","8","5222","5233","10.1039/D3RA08649F","","","0.71073","MoKα","","0.3128","0.0847","","","0.1055","0.1474","","","","","","0.87","","","","has coordinates","289780","2024-02-10","02:24:57",""
"7248122","14.1335","0.0011","10.5456","0.0007","22.1248","0.0017","90","","90","","90","","3297.6","0.4","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H26 N2 O -","- C16 H26 N2 O -","- C128 H208 N16 O8 -","8","1","","Camargo-Ayala, Lorena; Bedoya, Mauricio; Prent-Peñaloza, Luis; Polo-Cuadrado, Efraín; Osorio, Edison; Brito, Iván; Delgado, Gerzon E.; González, Wendy; Gutierrez, Margarita","Crystal structure, quantum chemical insights, and molecular docking studies of Naryl-2-(N-disubstituted) acetamide compounds: potential inhibitors for neurodegenerative enzymes","RSC Advances","2024","14","8","5222","5233","10.1039/D3RA08649F","","","0.71073","MoKα","","0.1708","0.0673","","","0.1301","0.1565","","","","","","0.856","","","","has coordinates","289780","2024-02-10","02:24:58",""
"7248123","7.1033","0.0004","23.7608","0.0014","18.3655","0.0011","90","","93.527","0.004","90","","3093.9","0.3","298.15","","298.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 N2 O3 -","- C15 H22 N2 O3 -","- C120 H176 N16 O24 -","8","2","","Camargo-Ayala, Lorena; Bedoya, Mauricio; Prent-Peñaloza, Luis; Polo-Cuadrado, Efraín; Osorio, Edison; Brito, Iván; Delgado, Gerzon E.; González, Wendy; Gutierrez, Margarita","Crystal structure, quantum chemical insights, and molecular docking studies of Naryl-2-(N-disubstituted) acetamide compounds: potential inhibitors for neurodegenerative enzymes","RSC Advances","2024","14","8","5222","5233","10.1039/D3RA08649F","","","1.54178","CuKα","","0.1045","0.0643","","","0.1769","0.2058","","","","","","1.03","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7248124","8.6215","0.0005","26.4188","0.0014","11.3368","0.0005","90","","101.383","0.002","90","","2531.4","0.2","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 F6 N4 O8 P -","- C19 H27 F6 N4 O8 P -","- C76 H108 F24 N16 O32 P4 -","4","1","","Xu, Yu-Ru; Zheng, Wen-Hui; Fang, Zong-Bin; Huang, Jian-Cai; Wu, Shu-Ting","Crystal structures and stimuli-responsive properties for three novel D–A type salicylhydrazide–viologen compounds with free radical properties under ambient conditions","CrystEngComm","2024","26","11","1527","1533","10.1039/D3CE01287E","","","0.71073","MoKα","","0.0605","0.0408","","","0.0907","0.0984","","","","","","1.038","","","","has coordinates","290897","2024-04-04","23:09:18",""
"7248125","5.7747","0.0004","12.6277","0.001","28.442","0.002","90","","95.394","0.002","90","","2064.8","0.3","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 F6 N4 O4 P -","- C19 H19 F6 N4 O4 P -","- C76 H76 F24 N16 O16 P4 -","4","1","","Xu, Yu-Ru; Zheng, Wen-Hui; Fang, Zong-Bin; Huang, Jian-Cai; Wu, Shu-Ting","Crystal structures and stimuli-responsive properties for three novel D–A type salicylhydrazide–viologen compounds with free radical properties under ambient conditions","CrystEngComm","2024","26","11","1527","1533","10.1039/D3CE01287E","","","0.71073","MoKα","","0.078","0.0457","","","0.1085","0.1237","","","","","","1.027","","","","has coordinates","290897","2024-04-04","23:09:18",""
"7248126","22.036","0.011","10.119","0.005","22.787","0.011","90","","90","","90","","5081","4","296","2","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H24 F6 N5 O4 P -","- C22 H24 F6 N5 O4 P -","- C176 H192 F48 N40 O32 P8 -","8","1","","Xu, Yu-Ru; Zheng, Wen-Hui; Fang, Zong-Bin; Huang, Jian-Cai; Wu, Shu-Ting","Crystal structures and stimuli-responsive properties for three novel D–A type salicylhydrazide–viologen compounds with free radical properties under ambient conditions","CrystEngComm","2024","26","11","1527","1533","10.1039/D3CE01287E","","","0.71073","MoKα","","0.1386","0.0581","","","0.1323","0.1675","","","","","","1.015","","","","has coordinates","290897","2024-04-04","23:09:18",""
"7248127","7.788","0.0005","8.7699","0.0005","9.7291","0.0006","111.057","0.002","96.558","0.002","104.436","0.002","585.08","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 Cl N2 O -","- C13 H13 Cl N2 O -","- C26 H26 Cl2 N4 O2 -","2","1","","Pawlędzio, Sylwia; Ziemniak, Marcin; Trzybiński, Damian; Arhangelskis, Mihails; Makal, Anna; Woźniak, Krzysztof","Influence of N-protonation on electronic properties of acridine derivatives by quantum crystallography","RSC Advances","2024","14","8","5340","5350","10.1039/D3RA08081A","","","0.71073","MoKα","","0.0186","0.0139","","","0.0387","0.0426","","","","","","1.178","","","","has coordinates","289799","2024-02-13","02:27:56",""
"7248128","7.788","0.0005","8.7699","0.0005","9.7291","0.0006","111.057","0.002","96.558","0.002","104.436","0.002","585.08","0.06","100","2","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 Cl N2 O -","- C13 H13 Cl N2 O -","- C26 H26 Cl2 N4 O2 -","2","1","","Pawlędzio, Sylwia; Ziemniak, Marcin; Trzybiński, Damian; Arhangelskis, Mihails; Makal, Anna; Woźniak, Krzysztof","Influence of N-protonation on electronic properties of acridine derivatives by quantum crystallography","RSC Advances","2024","14","8","5340","5350","10.1039/D3RA08081A","","","0.71073","MoKα","","0.0268","0.0213","","","0.0706","0.074","","","","","","1.029","","","","has coordinates","289799","2024-02-13","02:27:57",""
"7248129","24.31","0.003","24.31","0.003","14.016","0.002","90","","90","","90","","8283.1","1.9","100","0.1","100","0.1","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C13 H11 N2 O0.5 -","- C13 H11 N2 O0.5 -","- C416 H352 N64 O16 -","32","1","","Pawlędzio, Sylwia; Ziemniak, Marcin; Trzybiński, Damian; Arhangelskis, Mihails; Makal, Anna; Woźniak, Krzysztof","Influence of N-protonation on electronic properties of acridine derivatives by quantum crystallography","RSC Advances","2024","14","8","5340","5350","10.1039/D3RA08081A","","","0.71073","MoKα","","0.0427","0.0305","","","0.0901","0.0941","","","","","","0.911","","","","has coordinates","289799","2024-02-13","02:27:57",""
"7248130","24.31","0.002","24.31","0.002","14.016","0.002","90","","90","","90","","8283.1","1.5","100","0.1","100","0.1","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C26 H22 N4 O -","- C26 H22 N4 O -","- C416 H352 N64 O16 -","16","0.5","","Pawlędzio, Sylwia; Ziemniak, Marcin; Trzybiński, Damian; Arhangelskis, Mihails; Makal, Anna; Woźniak, Krzysztof","Influence of N-protonation on electronic properties of acridine derivatives by quantum crystallography","RSC Advances","2024","14","8","5340","5350","10.1039/D3RA08081A","","x-ray","1.54184","CuKα","","0.0548","0.0418","","","0.1226","0.128","","","","","","1.041","","","","has coordinates","289799","2024-02-13","02:27:57",""
"7248131","16.589","0.002","8.8658","0.0011","8.1243","0.0011","90","","103.606","0.004","90","","1161.3","0.3","102","2","102","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C48 H72 O12 -","4","1","","Zakharychev, Dmitry V.; Fayzullin, Robert R.","Solubility- and melting-based approaches to evaluate the inner-crystal enantiophobia and enantiophilia undergoing a structural change within a homologous series, exemplified by chiral glycerol ethers","CrystEngComm","2024","26","11","1571","1582","10.1039/D3CE01196H","","x-ray","0.71073","MoKα","","0.0688","0.0555","","","0.1408","0.1489","","","","","","1.086","","","","has coordinates","290902","2024-04-04","23:10:13",""
"7248132","4.8347","0.0001","20.8619","0.0005","22.8684","0.0006","90","","90","","90","","2306.53","0.09","102","2","102","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C96 H144 O24 -","8","2","","Zakharychev, Dmitry V.; Fayzullin, Robert R.","Solubility- and melting-based approaches to evaluate the inner-crystal enantiophobia and enantiophilia undergoing a structural change within a homologous series, exemplified by chiral glycerol ethers","CrystEngComm","2024","26","11","1571","1582","10.1039/D3CE01196H","","x-ray","0.71073","MoKα","","0.0549","0.0463","","","0.1149","0.1206","","","","","","1.068","","","","has coordinates","290902","2024-04-04","23:10:14",""
"7248133","5.6513","0.0012","19.384","0.004","18.237","0.004","90","","98.331","0.008","90","","1976.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N5 Pb S2 -","- C20 H15 N5 Pb S2 -","- C80 H60 N20 Pb4 S8 -","4","1","","Eftekhari-Sis, Bagher; García-Santos, Isabel; Castiñeiras, Alfonso; Mahmoudi, Ghodrat; Zangrando, Ennio; Frontera, Antonio; Safin, Damir A.","On the pivotal role of tetrel bonding in the supramolecular architectures of PbII–NCS complexes with chelating thiosemicarbazide derivatives","CrystEngComm","2024","26","11","1637","1646","10.1039/D3CE01207G","","","0.71073","MoKα","","0.1394","0.1221","","","0.2664","0.2754","","","","","","1.235","","","","has coordinates","290896","2024-04-04","23:09:02",""
"7248134","7.8039","0.0004","11.1545","0.0007","33.709","0.002","90","","90.944","0.002","90","","2933.9","0.3","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C9 H9 N7 Pb S3 -","- C9 H9 N7 Pb S3 -","- C72 H72 N56 Pb8 S24 -","8","1","","Eftekhari-Sis, Bagher; García-Santos, Isabel; Castiñeiras, Alfonso; Mahmoudi, Ghodrat; Zangrando, Ennio; Frontera, Antonio; Safin, Damir A.","On the pivotal role of tetrel bonding in the supramolecular architectures of PbII–NCS complexes with chelating thiosemicarbazide derivatives","CrystEngComm","2024","26","11","1637","1646","10.1039/D3CE01207G","","","0.71073","MoKα","","0.0235","0.018","","","0.0337","0.0351","","","","","","1.035","","","","has coordinates,has disorder","290896","2024-04-04","23:09:02",""
"7248135","6.9411","0.0004","8.1607","0.0005","10.8395","0.0007","97.201","0.003","93.084","0.002","107.496","0.002","578.25","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H7 N7 Pb S2 -","- C7 H7 N7 Pb S2 -","- C14 H14 N14 Pb2 S4 -","2","1","","Eftekhari-Sis, Bagher; García-Santos, Isabel; Castiñeiras, Alfonso; Mahmoudi, Ghodrat; Zangrando, Ennio; Frontera, Antonio; Safin, Damir A.","On the pivotal role of tetrel bonding in the supramolecular architectures of PbII–NCS complexes with chelating thiosemicarbazide derivatives","CrystEngComm","2024","26","11","1637","1646","10.1039/D3CE01207G","","","0.71073","MoKα","","0.0289","0.0206","","","0.0313","0.0337","","","","","","1.054","","","","has coordinates","290896","2024-04-04","23:09:02",""
"7248136","9.1603","0.0007","11.1181","0.0008","11.9004","0.0009","90","","110.772","0.009","90","","1133.22","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 N2 O3 -","- C10 H14 N2 O3 -","- C40 H56 N8 O12 -","4","1","","Hussain, Mohammed Noorul; Van Meervelt, Luc; Van Gerven, Tom","Crystallization of para-aminobenzoic acid forms from specific solvents","CrystEngComm","2024","26","11","1647","1656","10.1039/D3CE01055D","","x-ray","0.71073","MoKα","","0.068","0.051","","","0.1402","0.1563","","","","","","1.039","","","","has coordinates","290901","2024-04-04","23:10:07",""
"7248137","8.8896","0.0001","4.3363","0.0001","17.221","0.0002","90","","90","","90","","663.835","0.019","293","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba2 Mn S3 -","- Ba2 Mn S3 -","- Ba8 Mn4 S12 -","4","0.5","","Moore, Benjamin J.; Cui, Z. X.; Liu, Y.; Gutmann, Matthias J.; Teather, E. N.; Orlandi, Fabio; Balz, Christian; Manuel, Pascal; Perry, R. S.","Crystal growth of ternary metal sulfides from an open melt: Ba2MnS3","CrystEngComm","2024","26","10","1444","1452","10.1039/D3CE00977G","","neutron","","neutron","","0.0644","0.0644","","","0.097","0.097","","","","1.91","1.91","1.91","","","","has coordinates","290879","2024-04-04","23:03:55",""
"7248138","8.824","0.0001","4.3415","0.0001","17.1357","0.0002","90","","90","","90","","656.458","0.019","25","","25","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba2 Mn S3 -","- Ba2 Mn S3 -","- Ba8 Mn4 S12 -","4","0.5","","Moore, Benjamin J.; Cui, Z. X.; Liu, Y.; Gutmann, Matthias J.; Teather, E. N.; Orlandi, Fabio; Balz, Christian; Manuel, Pascal; Perry, R. S.","Crystal growth of ternary metal sulfides from an open melt: Ba2MnS3","CrystEngComm","2024","26","10","1444","1452","10.1039/D3CE00977G","","neutron","","neutron","","0.0699","0.0699","","","0.1067","0.1067","","","","1.4","1.4","1.4","","","","has coordinates","290879","2024-04-04","23:03:55",""
"7248139","10.6395","0.0003","28.9664","0.0008","10.5656","0.0004","90","","114.341","0.001","90","","2966.74","0.16","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H23.17 Cd N6 O4.58 -","- C35 H23.1666 Cd N6 O4.5833 -","- C140 H92.6664 Cd4 N24 O18.3332 -","4","1","","Huang, Zi-Qing; Chen, Jia-Qi; Zhang, Xiao-Yu; Yuan, Cheng-Kai; Wang, Peng; Zhao, Yue; Zhao, Bao-Cheng; Qi, Wei-Xin; Sun, Wei-Yin","Cd(ii) and Zn(ii) coordination polymer-assisted CO2/cyclohexene oxide copolymerization with a double metal cyanide catalyst","CrystEngComm","2024","26","12","1701","1709","10.1039/D3CE01289A","","","0.71073","MoKα","","0.0308","0.0279","","","0.0646","0.0669","","","","","","1.06","","","","has coordinates","290906","2024-04-04","23:12:04",""
"7248140","8.8685","0.0009","10.2782","0.0011","16.752","0.002","95.095","0.007","101.142","0.006","110.208","0.005","1385.8","0.3","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H26 N6 O7 Zn -","- C31 H20 N6 O4 Zn -","- C62 H40 N12 O8 Zn2 -","2","1","","Huang, Zi-Qing; Chen, Jia-Qi; Zhang, Xiao-Yu; Yuan, Cheng-Kai; Wang, Peng; Zhao, Yue; Zhao, Bao-Cheng; Qi, Wei-Xin; Sun, Wei-Yin","Cd(ii) and Zn(ii) coordination polymer-assisted CO2/cyclohexene oxide copolymerization with a double metal cyanide catalyst","CrystEngComm","2024","26","12","1701","1709","10.1039/D3CE01289A","","x-ray","1.34139","GaKα","","0.1133","0.0967","","","0.2581","0.2755","","","","","","1.041","","","","has coordinates","290906","2024-04-04","23:12:04",""
"7248141","18.1361","0.0009","18.1361","0.0009","26.421","0.002","90","","90","","90","","8690.3","0.9","193","","193","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C43 H40 Cd N10 O12 -","- C37 H22 Cd N8 O8 -","- C296 H176 Cd8 N64 O64 -","8","1","","Huang, Zi-Qing; Chen, Jia-Qi; Zhang, Xiao-Yu; Yuan, Cheng-Kai; Wang, Peng; Zhao, Yue; Zhao, Bao-Cheng; Qi, Wei-Xin; Sun, Wei-Yin","Cd(ii) and Zn(ii) coordination polymer-assisted CO2/cyclohexene oxide copolymerization with a double metal cyanide catalyst","CrystEngComm","2024","26","12","1701","1709","10.1039/D3CE01289A","","x-ray","1.34139","GaKα","","0.0381","0.0314","","","0.0795","0.0823","","","","","","1.034","","","","has coordinates","290906","2024-04-04","23:12:04",""
"7248142","11.2201","0.0004","22.3582","0.0008","21.7383","0.0008","90","","101.343","0.0012","90","","5346.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C85 H8 F24 O3 -","- C78 F24 O3 -","- C312 F96 O12 -","4","1","","Gracheva, Sofia V.; Tamm, Nadezhda B.; Lyssenko, Konstantin A.; Ioffe, Ilya N.; Lukonina, Natalia S.; Goryunkov, Alexey A.","Oxidative cage opening in the C<sub>70</sub> fullerene facilitated by preceding trifluoromethylation.","Physical chemistry chemical physics : PCCP","2024","26","10","8038","8042","10.1039/d3cp05480b","","","0.71073","MoKα","","0.1234","0.0693","","","0.1591","0.1847","","","","","","0.97","","","","has coordinates","291063","2024-04-05","00:15:57",""
"7248143","20.2976","0.0007","18.2848","0.0007","14.2099","0.0005","90","","99.129","0.002","90","","5207","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C84 H8 F24 O2.21 -","- C84 H8 F24 O2.2067 -","- C336 H32 F96 O8.8268 -","4","1","","Gracheva, Sofia V.; Tamm, Nadezhda B.; Lyssenko, Konstantin A.; Ioffe, Ilya N.; Lukonina, Natalia S.; Goryunkov, Alexey A.","Oxidative cage opening in the C<sub>70</sub> fullerene facilitated by preceding trifluoromethylation.","Physical chemistry chemical physics : PCCP","2024","26","10","8038","8042","10.1039/d3cp05480b","","","0.71073","MoKα","","0.1694","0.0823","","","0.1721","0.2057","","","","","","1.033","","","","has coordinates,has disorder","291063","2024-04-05","00:15:58",""
"7248144","17.8139","0.0006","12.4929","0.0004","19.4102","0.0007","90","","110.782","0.001","90","","4038.6","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 Co N11 O15 Tb -","- C36 H24 Co N11 O15 Tb -","- C144 H96 Co4 N44 O60 Tb4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0495","0.0316","","","0.0691","0.0763","","","","","","0.993","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248145","27.417","0.002","13.0209","0.0012","27.138","0.002","90","","104.446","0.003","90","","9381.8","1.3","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C38 H27 Co N12 O15 Tb -","- C38 H27 Co N12 O15 Tb -","- C304 H216 Co8 N96 O120 Tb8 -","8","2","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1071","0.0836","","","0.196","0.2126","","","","","","1.179","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248146","12.6274","0.0009","17.4622","0.0013","21.5945","0.0016","90","","90","","90","","4761.6","0.6","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 Co N14 O15 Tb -","- C42 H33 Co N14 O15 Tb -","- C168 H132 Co4 N56 O60 Tb4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0337","0.0296","","","0.0727","0.0744","","","","","","1.075","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248147","17.794","0.0004","12.4847","0.0003","19.409","0.0004","90","","110.851","0.001","90","","4029.38","0.16","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 Co Dy N11 O15 -","- C36 H24 Co Dy N11 O15 -","- C144 H96 Co4 Dy4 N44 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0363","0.0273","","","0.0699","0.0741","","","","","","1.068","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248148","17.8105","0.0005","12.4596","0.0005","19.4286","0.0006","90","","110.544","0.001","90","","4037.2","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 N11 O15 Y Zn -","- C36 H24 N11 O15 Y Zn -","- C144 H96 N44 O60 Y4 Zn4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0827","0.0429","","","0.0683","0.0765","","","","","","1.08","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248149","17.7131","0.0004","12.4943","0.0003","19.302","0.0005","90","","110.611","0.001","90","","3998.35","0.17","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 N11 Ni O15 Y -","- C36 H24 N11 Ni O15 Y -","- C144 H96 N44 Ni4 O60 Y4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0691","0.0387","","","0.0868","0.0985","","","","","","1.002","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248150","17.7823","0.0006","12.4756","0.0004","19.4154","0.0007","90","","110.848","0.001","90","","4025.2","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 Co N11 O15 Y -","- C36 H24 Co N11 O15 Y -","- C144 H96 Co4 N44 O60 Y4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0714","0.0398","","","0.0869","0.0998","","","","","","0.958","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248151","12.834","0.0006","17.5509","0.0009","21.6296","0.0012","90","","90","","90","","4872","0.4","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 N14 Ni O15 Y -","- C42 H33 N14 Ni O15 Y -","- C168 H132 N56 Ni4 O60 Y4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1107","0.0592","","","0.135","0.1592","","","","","","1.023","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248152","12.689","0.0007","17.3285","0.0008","21.5711","0.0009","90","","90","","90","","4743.1","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 N14 O15 Y Zn -","- C42 H33 N14 O15 Y Zn -","- C168 H132 N56 O60 Y4 Zn4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0683","0.042","","","0.0779","0.089","","","","","","1.04","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248153","12.6343","0.0003","17.4984","0.0004","21.6439","0.0005","90","","90","","90","","4785.03","0.19","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 Co Dy N14 O15 -","- C42 H33 Co Dy N14 O15 -","- C168 H132 Co4 Dy4 N56 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0344","0.0287","","","0.0664","0.0688","","","","","","0.993","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248154","12.66","0.002","17.879","0.004","22.64","0.005","90","","90","","90","","5124.5","1.8","400","2","400","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 La N13 Ni O15 -","- C48 H32 La N13 Ni O15 -","- C192 H128 La4 N52 Ni4 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1588","0.0472","","","0.1103","0.1608","","","","","","0.735","","","","has coordinates","290903","2024-04-04","23:11:17",""
"7248155","12.602","0.0005","17.3989","0.0007","21.5392","0.001","90","","90","","90","","4722.7","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 Co N14 O15 Y -","- C42 H33 Co N14 O15 Y -","- C168 H132 Co4 N56 O60 Y4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0568","0.0463","","","0.0948","0.0984","","","","","","1.086","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248156","12.7677","0.0007","17.414","0.0008","21.6944","0.001","90","","90","","90","","4823.5","0.4","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 N14 O15 Y Zn -","- C42 H33 N14 O15 Y Zn -","- C168 H132 N56 O60 Y4 Zn4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0671","0.0397","","","0.0766","0.0878","","","","","","1.053","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248157","12.6828","0.0004","17.3643","0.0006","21.4063","0.0008","90","","90","","90","","4714.3","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 N14 Ni O15 Y -","- C42 H33 N14 Ni O15 Y -","- C168 H132 N56 Ni4 O60 Y4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0566","0.0387","","","0.0781","0.0842","","","","","","1.009","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248158","12.453","0.004","17.82","0.006","22.217","0.008","90","","90","","90","","4930","3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 Co N13 Nd O15 -","- C48 H32 Co N13 Nd O15 -","- C192 H128 Co4 N52 Nd4 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1461","0.1429","","","0.3434","0.3452","","","","","","1.438","","","","has coordinates","290903","2024-04-04","23:11:17",""
"7248159","12.4662","0.0018","17.717","0.003","22.612","0.003","90","","90","","90","","4994.2","1.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 La N13 O15 Zn -","- C48 H32 La N13 O15 Zn -","- C192 H128 La4 N52 O60 Zn4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.214","0.0938","","","0.2497","0.2816","","","","","","1.184","","","","has coordinates","290903","2024-04-04","23:11:17",""
"7248160","12.4224","0.0004","20.0351","0.0009","22.1111","0.001","90","","90","","90","","5503.1","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 La N16 Ni O15 -","- C54 H41 La N16 Ni O15 -","- C216 H164 La4 N64 Ni4 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0604","0.0442","","","0.0917","0.0995","","","","","","0.856","","","","has coordinates","290903","2024-04-04","23:11:17",""
"7248161","12.5205","0.0004","20.2855","0.0005","22.2201","0.0006","90","","90","","90","","5643.6","0.3","250","2","250","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 Co La N16 O15 -","- C54 H41 Co La N16 O15 -","- C216 H164 Co4 La4 N64 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0346","0.0281","","","0.0503","0.0527","","","","","","1","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248162","12.5426","0.0018","20.322","0.004","22.424","0.004","90","","90","","90","","5715.7","1.7","340","2","340","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 La N16 Ni O15 -","- C54 H41 La N16 Ni O15 -","- C216 H164 La4 N64 Ni4 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1233","0.0508","","","0.0912","0.1106","","","","","","0.858","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248163","12.4132","0.0007","20.1554","0.0012","22.077","0.0013","90","","90","","90","","5523.5","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 Co N16 Nd O15 -","- C54 H41 Co N16 Nd O15 -","- C216 H164 Co4 N64 Nd4 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0429","0.0329","","","0.0588","0.0636","","","","","","1.082","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248164","12.4889","0.0008","20.1897","0.0013","21.9131","0.0017","90","","90","","90","","5525.3","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 La N16 O15 Zn -","- C54 H41 La N16 O15 Zn -","- C216 H164 La4 N64 O60 Zn4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0488","0.0337","","","0.0568","0.0617","","","","","","0.997","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248165","12.6555","0.0006","17.9417","0.0008","22.6477","0.001","90","","90","","90","","5142.4","0.4","400","2","400","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 Co La N13 O15 -","- C48 H32 Co La N13 O15 -","- C192 H128 Co4 La4 N52 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1175","0.0499","","","0.0648","0.0791","","","","","","1.044","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248166","12.555","0.002","20.342","0.004","22.458","0.005","90","","90","","90","","5735.6","1.9","360","2","360","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 La N16 Ni O15 -","- C54 H41 La N16 Ni O15 -","- C216 H164 La4 N64 Ni4 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1527","0.0572","","","0.106","0.1285","","","","","","0.909","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248167","12.5969","0.0005","17.4194","0.0007","21.5508","0.0009","90","","90","","90","","4728.9","0.3","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 Co Dy N14 O15 -","- C42 H33 Co Dy N14 O15 -","- C168 H132 Co4 Dy4 N56 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0487","0.0365","","","0.0791","0.0883","","","","","","1.039","","","","has coordinates,has disorder","290903","2024-04-04","23:11:18",""
"7248168","12.5118","0.0016","20.32","0.003","22.341","0.003","90","","90","","90","","5680","1.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C216 H164 Co4 N64 Nd4 O60 -","- C216 H164 Co4 N64 Nd4 O60 -","- C216 H164 Co4 N64 Nd4 O60 -","1","0.25","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0622","0.0543","","","0.1105","0.1141","","","","","","0.95","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248169","12.5614","0.0018","20.372","0.003","22.451","0.003","90","","90","","90","","5745.2","1.4","350","2","350","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 Co La N16 O15 -","- C54 H41 Co La N16 O15 -","- C216 H164 Co4 La4 N64 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1297","0.0972","","","0.2523","0.272","","","","","","1.201","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248170","12.6065","0.0014","17.994","0.0017","22.46","0.002","90","","90","","90","","5094.9","0.9","380","2","380","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 Co N13 O15 Sm -","- C48 H32 Co N13 O15 Sm -","- C192 H128 Co4 N52 O60 Sm4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1164","0.0823","","","0.2057","0.2288","","","","","","1.11","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248171","12.4723","0.0008","20.1964","0.001","22.0456","0.0011","90","","90","","90","","5553.2","0.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 Co La N16 O15 -","- C54 H41 Co La N16 O15 -","- C216 H164 Co4 La4 N64 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0478","0.0347","","","0.0588","0.0629","","","","","","1.022","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248172","12.4812","0.0007","20.2883","0.0013","22.2801","0.0015","90","","90","","90","","5641.8","0.6","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 Co N16 O15 Sm -","- C54 H41 Co N16 O15 Sm -","- C216 H164 Co4 N64 O60 Sm4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0345","0.0284","","","0.0615","0.0641","","","","","","1.029","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248173","12.4061","0.001","20.1133","0.0017","21.9689","0.0019","90","","90","","90","","5481.8","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 Co N16 O15 Sm -","- C54 H41 Co N16 O15 Sm -","- C216 H164 Co4 N64 O60 Sm4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0352","0.0324","","","0.0783","0.0799","","","","","","1.01","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248174","12.4652","0.0006","17.7628","0.0008","22.4407","0.001","90","","90","","90","","4968.7","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 Co La N13 O15 -","- C48 H32 Co La N13 O15 -","- C192 H128 Co4 La4 N52 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0429","0.0348","","","0.0683","0.0715","","","","","","1.038","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248175","8.112","0.001","8.112","0.001","4.9862","0.0006","90","","90","","120","","284.16","0.06","","","","","","","","","","","","5","P 3 2 1","P 3 2""","150","","Tricalcium Tantalum Trigallodisilicate","Langasite","- Ca3 Ga3 O14 Si2 Ta -","- Ca3 Ga3 O14 Si2 Ta -","- Ca3 Ga3 O14 Si2 Ta -","1","0.166667","","Ai, Lei; Sun, Zhigang; Jiang, Linwen; Pan, Jianguo; Zheng, Yanqing; Pan, Shangke","Piezoelectric properties of (Sr0.2Ca0.8)3TaGa3Si2O14 and Ca3TaGa3Si2O14 single crystals grown via vertical Bridgman method","CrystEngComm","2024","26","11","1550","1555","10.1039/D3CE01126G","","","","","","0.098","","","","","","","","","","","","","","","has coordinates","290899","2024-04-04","23:09:52",""
"7248176","14.3117","0.0004","3.9776","0.0001","26.9681","0.0005","90","","104.512","0.002","90","","1486.21","0.06","299.63","0.1","299.63","0.1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","(E)-1,2-bis(2-pyridyl)ethene and pentachloroiodobenzene cocrystal","","- C24 H10 Cl10 I2 N2 -","- C24 H10 Cl10 I2 N2 -","- C48 H20 Cl20 I4 N4 -","2","0.5","","Andren, Max; Bosch, Eric; Krueger, Herman R.; Groeneman, Ryan H.","Achieving a series of solid-state [2 + 2] cycloaddition reactions involving 1,2-bis(2-pyridyl)ethylene within halogen-bonded co-crystals","CrystEngComm","2024","26","10","1349","1352","10.1039/D4CE00097H","","","1.54184","CuKα","","0.062","0.0539","","","0.1513","0.1583","","","","","","1.0324","","","","has coordinates","290876","2024-04-04","23:03:23",""
"7248177","14.088","0.0004","7.8247","0.0002","30.2785","0.0009","90","","102.717","0.001","90","","3255.85","0.16","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H12 F10 N5 O2 Sb -","- C37 H12 F10 N5 O2 Sb -","- C148 H48 F40 N20 O8 Sb4 -","4","1","","Yan, Qiao-Wei; Wu, Ling-Wei; Liu, Zhen-Wu; Chen, Feng; Ling, Chen; Liu, Hai-Yang; Xiao, Xin-Yan; Si, Li-Ping","First application of antimony(iii) corrole for electrocatalytic hydrogen evolution","Green Chemistry","2024","26","8","4574","4581","10.1039/D3GC04884E","","","0.71073","MoKα","","0.105","0.0875","","","0.2398","0.2634","","","","","","0.999","","","","has coordinates","291659","2024-05-05","03:36:32",""
"7248178","12.7611","0.0003","18.5038","0.0003","14.1018","0.0003","90","","100.643","0.002","90","","3272.56","0.12","169.99","0.1","169.99","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C41.5 H21.5 Cl0.25 N5 O5.5 -","- C40.5 H19.5 N4.5 O3 -","- C162 H78 N18 O12 -","4","1","","Yan, Qiao-Wei; Wu, Ling-Wei; Liu, Zhen-Wu; Chen, Feng; Ling, Chen; Liu, Hai-Yang; Xiao, Xin-Yan; Si, Li-Ping","First application of antimony(iii) corrole for electrocatalytic hydrogen evolution","Green Chemistry","2024","26","8","4574","4581","10.1039/D3GC04884E","","x-ray","1.54184","CuKα","","0.0602","0.0457","","","0.1254","0.1341","","","","","","1.06","","","","has coordinates","291659","2024-05-05","03:36:35",""
"7248179","8.0992","0.0004","20.6903","0.0011","9.9276","0.0006","90","","111.728","0.002","90","","1545.42","0.15","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C80 H60 N12 O4 -","4","1","","Zuo, Youpeng; Liu, Meijun; Du, Jun; Zhang, Tianren; Wang, Xiaoqing; Wang, Cong","Ir(iii)/Ag(i)-catalyzed directly C–H amidation of arenes with OH-free hydroxyamides as amidating agents","RSC Advances","2024","14","9","5975","5980","10.1039/D4RA00517A","","","0.71073","MoKα","","0.0565","0.0505","","","0.1169","0.1225","","","","","","1.078","","","","has coordinates","289842","2024-02-16","02:33:34",""
"7248180","7.6763","0.001","7.938","0.001","8.2274","0.0011","73.068","0.004","67.252","0.004","68.824","0.004","424.37","0.1","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H7 O6 Rb -","- C6 H7 O6 Rb -","- C12 H14 O12 Rb2 -","2","1","","Kavitha, S.; Vizhi, R. Ezhil","Investigation on the growth aspects and properties of rubidium hydrogen succinate hydrate single crystal for NLO applications","RSC Advances","2024","14","9","6016","6027","10.1039/D3RA07579F","","","0.71073","MoKα","","0.0341","0.0292","","","0.0697","0.0725","","","","","","1.023","","","","has coordinates","289858","2024-02-17","02:30:08",""
"7248181","12.34031","0.00009","7.13358","0.00005","24.66536","0.00018","90","","101.406","0.0003","90","","2128.42","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(R)-2-cyclohexyl-2-(p-tolylthio)ethyl 3,5-dinitrobenzoate","","- C22 H24 N2 O6 S -","- C22 H24 N2 O6 S -","- C88 H96 N8 O24 S4 -","4","2","","Wang, Zhen; Gausmann, Marcel; Dickoff, Jan-Hendrik; Christmann, Mathias","Iodine-enabled organoelectrocatalysis: enantioselective cross dehydrogenative coupling of sulfides and aldehydes","Green Chemistry","2024","26","5","2546","2551","10.1039/D3GC03828A","","","1.54178","CuKα","","0.0567","0.0552","","","0.1228","0.1244","","","","","","1.124","","","","has coordinates","291000","2024-04-04","23:54:42",""
"7248182","5.41865","0.00009","5.41865","0.00009","26.3535","0.0005","90","","90","","120","","670.12","0.02","292.09","0.1","292.09","0.1","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- B4 Ba4 Bi O13 Tb -","- B4 Ba4 Bi O13 Tb -","- B8 Ba8 Bi2 O26 Tb2 -","2","0.0833333","","Chen, Xuean; Yuan, Xuyang; Xiao, Weiqiang; Song, Xiaoyan","Two new rare-earth oxyborates Ba4BiTbO(BO3)4 and Ba1.54Sr2.46BiTbO(BO3)4 and luminescence properties of the Ba4BiTb1−xEuxO(BO3)4 phosphors","RSC Advances","2024","14","9","6270","6284","10.1039/D3RA08265B","","x-ray","0.71073","MoKα","","0.0464","0.0417","","","0.0964","0.0988","","","","","","1.173","","","","has coordinates","289875","2024-02-20","02:25:17",""
"7248183","5.36534","0.00019","5.36534","0.00019","26.0661","0.001","90","","90","","120","","649.83","0.04","292.09","0.1","292.09","0.1","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- B4 Ba1.54 Bi O13 Sr2.46 Tb -","- B4 Ba1.54 Bi O13 Sr2.46 Tb -","- B8 Ba3.08 Bi2 O26 Sr4.92 Tb2 -","2","0.0833333","","Chen, Xuean; Yuan, Xuyang; Xiao, Weiqiang; Song, Xiaoyan","Two new rare-earth oxyborates Ba4BiTbO(BO3)4 and Ba1.54Sr2.46BiTbO(BO3)4 and luminescence properties of the Ba4BiTb1−xEuxO(BO3)4 phosphors","RSC Advances","2024","14","9","6270","6284","10.1039/D3RA08265B","","x-ray","0.71073","MoKα","","0.0645","0.0604","","","0.1077","0.1094","","","","","","1.121","","","","has coordinates","289875","2024-02-20","02:25:18",""
"7248184","7.4729","0.001","16.121","0.002","19.743","0.003","67.095","0.01","88.242","0.011","84.135","0.011","2179.3","0.5","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","3,6-Bis(5-(4,4,5,5-tetramethyl-4,5-dihydro-3oxid-1-oxyl-1-H-imidazol-2-yl)-thiophene-2yl)-2,5-dihexyl-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione","","- C41 H56 Cl2 N6 O6 S2 -","- C41 H56 Cl2 N6 O6 S2 -","- C82 H112 Cl4 N12 O12 S4 -","2","1","","Tretyakov, Evgeny; Gorbunov, Dmitry; Gritsan, Nina; Keerthi, Ashok; Baumgarten, Martin; Schollmeyer, Dieter; Ivanov, Mikhail; Sergeeva, Anna; Fedin, Matvey","Synthesis and photoinduced behavior of DPP-anchored nitronyl nitroxides: a multifaceted approach","RSC Advances","2024","14","9","6178","6189","10.1039/D4RA00916A","","","1.54178","CuKα","","0.343","0.1407","","","0.3299","0.4395","","","","","","0.883","","","","has coordinates,has disorder","289876","2024-02-20","02:25:34",""
"7248185","22.042","0.005","3.9504","0.0009","15.024","0.003","90","","104.448","0.003","90","","1266.8","0.5","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 O4 -","- C16 H14 O4 -","- C64 H56 O16 -","4","0.5","","Lee, Sae Hui; Valverde Paredes, Marco S.; Forster, Paul M.; Lee, Dong-Chan","Side group dependent room temperature crystallization-induced phosphorescence of benzil based all organic phosphors","RSC Advances","2024","14","9","6285","6291","10.1039/D4RA00816B","","","0.71073","MoKα","","0.0476","0.0434","","","0.1209","0.1262","","","","","","1.06","","","","has coordinates","289877","2024-02-20","02:25:52",""
"7248186","22.098","0.008","4.7567","0.0017","26.394","0.01","90","","109.636","0.005","90","","2613","1.7","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H42 O4 -","- C30 H42 O4 -","- C120 H168 O16 -","4","0.5","","Lee, Sae Hui; Valverde Paredes, Marco S.; Forster, Paul M.; Lee, Dong-Chan","Side group dependent room temperature crystallization-induced phosphorescence of benzil based all organic phosphors","RSC Advances","2024","14","9","6285","6291","10.1039/D4RA00816B","","","0.71073","MoKα","","0.0631","0.0472","","","0.123","0.1332","","","","","","1.116","","","","has coordinates","289877","2024-02-20","02:25:52",""
"7248187","11.142","0.0014","6.8138","0.0008","13.6024","0.0017","90","","102.714","0.004","90","","1007.4","0.2","297","2","297","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 O6 -","- C11 H10 O6 -","- C44 H40 O24 -","4","1","","Rashid, Showkat; Husain, Ahmad; Bhat, Bilal A.; Mehta, Goverdhan","Incisive analysis of hydrogen-bonded supramolecular architectures in designer polycyclitols: observation of some interesting self-assembly patterns","CrystEngComm","2024","26","14","1952","1961","10.1039/D4CE00010B","","","0.71073","MoKα","","0.0756","0.0502","","","0.1095","0.1188","","","","","","1.067","","","","has coordinates","290891","2024-04-04","23:07:54",""
"7248188","12.0789","0.0003","10.0528","0.0002","8.6569","0.0002","90","","90","","90","","1051.18","0.04","298","","298","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C11 H12 O7 -","- C11 H12 O7 -","- C44 H48 O28 -","4","1","","Rashid, Showkat; Husain, Ahmad; Bhat, Bilal A.; Mehta, Goverdhan","Incisive analysis of hydrogen-bonded supramolecular architectures in designer polycyclitols: observation of some interesting self-assembly patterns","CrystEngComm","2024","26","14","1952","1961","10.1039/D4CE00010B","","x-ray","0.71073","MoKα","","0.0306","0.0284","","","0.0709","0.0723","","","","","","1.092","","","","has coordinates","290891","2024-04-04","23:07:54",""
"7248189","6.568","0.0002","27.9778","0.0008","12.4818","0.0004","90","","92.584","0.003","90","","2291.3","0.12","295.5","0.2","295.5","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 O7 -","- C11 H12 O7 -","- C88 H96 O56 -","8","2","","Rashid, Showkat; Husain, Ahmad; Bhat, Bilal A.; Mehta, Goverdhan","Incisive analysis of hydrogen-bonded supramolecular architectures in designer polycyclitols: observation of some interesting self-assembly patterns","CrystEngComm","2024","26","14","1952","1961","10.1039/D4CE00010B","","x-ray","0.71073","MoKα","","0.0733","0.0504","","","0.1278","0.1414","","","","","","1.091","","","","has coordinates","290891","2024-04-04","23:07:54",""
"7248190","10.7437","0.0012","6.9554","0.0007","12.3782","0.0014","90","","92.629","0.004","90","","924.01","0.17","298","2","298.03","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 O5 -","- C10 H12 O5 -","- C40 H48 O20 -","4","1","","Rashid, Showkat; Husain, Ahmad; Bhat, Bilal A.; Mehta, Goverdhan","Incisive analysis of hydrogen-bonded supramolecular architectures in designer polycyclitols: observation of some interesting self-assembly patterns","CrystEngComm","2024","26","14","1952","1961","10.1039/D4CE00010B","","","0.71073","MoKα","","0.0365","0.035","","","0.0867","0.0878","","","","","","1.097","","","","has coordinates","290891","2024-04-04","23:07:54",""
"7248191","7.1276","0.0008","7.5031","0.0008","11.3065","0.0013","98.614","0.006","105.39","0.007","105.364","0.007","546.17","0.11","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H12 O8 -","- C11 H12 O8 -","- C22 H24 O16 -","2","1","","Rashid, Showkat; Husain, Ahmad; Bhat, Bilal A.; Mehta, Goverdhan","Incisive analysis of hydrogen-bonded supramolecular architectures in designer polycyclitols: observation of some interesting self-assembly patterns","CrystEngComm","2024","26","14","1952","1961","10.1039/D4CE00010B","","","0.71073","MoKα","","0.1111","0.0797","","","0.2047","0.2305","","","","","","1.128","","","","has coordinates","290891","2024-04-04","23:07:54",""
"7248192","13.0318","0.0013","7.7973","0.0008","9.8712","0.001","90","","106.032","0.003","90","","964.03","0.17","213","2","213","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C3 H8 N8 O6 -","- C3 H8 N8 O6 -","- C12 H32 N32 O24 -","4","1","","Zhao, Pinxu; Lin, Qiuhan; Huang, Haifeng; Li, Xiaoqiang; Yang, Jun","Synthesis of energetic salts based on 4-nitro-5-dinitromethyl-1,2,3-1H-triazole","CrystEngComm","2024","26","12","1730","1737","10.1039/D3CE01184D","","","0.71073","MoKα","","0.0754","0.074","","","0.1912","0.1944","","","","","","1.081","","","","has coordinates","290907","2024-04-04","23:12:12",""
"7248193","8.7186","0.0002","11.5384","0.0003","8.1605","0.0002","90","","93.994","0.001","90","","818.94","0.03","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H K N6 O6 -","- C3 H K N6 O6 -","- C12 H4 K4 N24 O24 -","4","1","","Zhao, Pinxu; Lin, Qiuhan; Huang, Haifeng; Li, Xiaoqiang; Yang, Jun","Synthesis of energetic salts based on 4-nitro-5-dinitromethyl-1,2,3-1H-triazole","CrystEngComm","2024","26","12","1730","1737","10.1039/D3CE01184D","","","0.71073","MoKα","","0.0231","0.0222","","","0.0596","0.0602","","","","","","1.034","","","","has coordinates","290907","2024-04-04","23:12:12",""
"7248194","17.215","0.002","6.5819","0.0007","13.6351","0.0018","90","","107.543","0.004","90","","1473.1","0.3","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H14 N14 O6 -","- C5 H14 N14 O6 -","- C20 H56 N56 O24 -","4","1","","Zhao, Pinxu; Lin, Qiuhan; Huang, Haifeng; Li, Xiaoqiang; Yang, Jun","Synthesis of energetic salts based on 4-nitro-5-dinitromethyl-1,2,3-1H-triazole","CrystEngComm","2024","26","12","1730","1737","10.1039/D3CE01184D","","","0.71073","MoKα","","0.0564","0.0436","","","0.1094","0.1206","","","","","","1.03","","","","has coordinates","290907","2024-04-04","23:12:12",""
"7248195","13.6418","0.0005","9.7046","0.0003","8.1716","0.0003","90","","102.117","0.001","90","","1057.72","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H10 N10 O6 -","- C3 H10 N10 O6 -","- C12 H40 N40 O24 -","4","1","","Zhao, Pinxu; Lin, Qiuhan; Huang, Haifeng; Li, Xiaoqiang; Yang, Jun","Synthesis of energetic salts based on 4-nitro-5-dinitromethyl-1,2,3-1H-triazole","CrystEngComm","2024","26","12","1730","1737","10.1039/D3CE01184D","","","0.71073","MoKα","","0.0478","0.0356","","","0.0811","0.0889","","","","","","1.092","","","","has coordinates","290907","2024-04-04","23:12:12",""
"7248196","5.926","0.0012","22.325","0.005","22.507","0.005","90","","90","","90","","2977.6","1.1","220","2","220","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,6-dichloro-9H-carbazole","","- C12 H7 Cl2 N -","- C12 H7 Cl2 N -","- C144 H84 Cl24 N12 -","12","3","","Ravi, Sasikala; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Halogen atom substitution effect on the carbazole fluorescence properties and supramolecular interactions in the solid-state","CrystEngComm","2024","26","12","1773","1778","10.1039/D4CE00053F","","","0.61","synchrotron","","0.0429","0.0414","","","0.1154","0.1165","","","","","","1.09","","","","has coordinates","290910","2024-04-04","23:12:52",""
"7248197","4.176","0.0008","11.111","0.002","12.236","0.003","90","","93.14","0.03","90","","566.9","0.2","220","2","220","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3,6-diiodo-9H-carbazole","","- C12 H7 I2 N -","- C12 H7 I2 N -","- C24 H14 I4 N2 -","2","1","","Ravi, Sasikala; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Halogen atom substitution effect on the carbazole fluorescence properties and supramolecular interactions in the solid-state","CrystEngComm","2024","26","12","1773","1778","10.1039/D4CE00053F","","","0.63","synchrotron","","0.0534","0.0531","","","0.1386","0.1389","","","","","","1.144","","","","has coordinates","290910","2024-04-04","23:12:52",""
"7248198","6.01","0.0012","23.086","0.005","15.133","0.003","90","","90.8","0.03","90","","2099.5","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,6-dibromo-9H-carbazole","","- C12 H7 Br2 N -","- C12 H7 Br2 N -","- C96 H56 Br16 N8 -","8","2","","Ravi, Sasikala; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Halogen atom substitution effect on the carbazole fluorescence properties and supramolecular interactions in the solid-state","CrystEngComm","2024","26","12","1773","1778","10.1039/D4CE00053F","","","0.61","synchrotron","","0.0658","0.0618","","","0.1719","0.1752","","","","","","1.077","","","","has coordinates","290910","2024-04-04","23:12:52",""
"7248199","17.8664","0.0014","8.2689","0.0005","13.0861","0.0008","90","","99.896","0.006","90","","1904.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 Ni O2 -","- C24 H18 N2 Ni O2 -","- C96 H72 N8 Ni4 O8 -","4","1","","Singh, Simranjeet; Choudhary, Mukesh","Unusual Ni⋯Ni interaction in Ni(ii) complexes as potential inhibitors for the development of new anti-SARS-CoV-2 Omicron drugs","RSC Medicinal Chemistry","2024","","","","","10.1039/D3MD00601H","","","0.71073","MoKα","","0.0566","0.0468","","","0.1163","0.14","","","","","","1.08","","","","has coordinates","289899","2024-02-21","01:16:25",""
"7248200","8.243","0.004","13.068","0.003","17.906","0.005","99.85","0.02","92.64","0.08","93.66","0.07","1893.3","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 N2 Ni O2 -","- C24 H18 N2 Ni O2 -","- C96 H72 N8 Ni4 O8 -","4","2","","Singh, Simranjeet; Choudhary, Mukesh","Unusual Ni⋯Ni interaction in Ni(ii) complexes as potential inhibitors for the development of new anti-SARS-CoV-2 Omicron drugs","RSC Medicinal Chemistry","2024","","","","","10.1039/D3MD00601H","","","0.71073","MoKα","","0.0754","0.0454","","","0.1046","0.1276","","","","","","1.076","","","","has coordinates","289899","2024-02-21","01:16:26",""
"7248201","16.18","0.0008","16.18","0.0008","8.5692","0.0004","90","","90","","120","","1942.8","0.16","100","","100","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C24.5 H67 Si7 Yb -","- C24.5007 H67.002 Si7.0002 Yb -","- C49.0014 H134.004 Si14.0004 Yb2 -","2","0.333333","","Ashuiev, Anton; Allouche, Florian; Islam, Md Ashraful; Carvalho, José P; Sanders, Kevin J.; Conley, Matthew P.; Klose, Daniel; Lapadula, Giuseppe; Wörle, Michael; Baabe, Dirk; Walter, Marc D.; Pell, Andrew J.; Copéret, Christophe; Jeschke, Gunnar; Pintacuda, Guido; Andersen, Richard A.","Geometry and electronic structure of Yb(III)[CH(SiMe<sub>3</sub>)<sub>2</sub>]<sub>3</sub> from EPR and solid-state NMR augmented by computations.","Physical chemistry chemical physics : PCCP","2024","26","11","8734","8747","10.1039/d4cp00281d","","x-ray","0.71073","MoKα","K-L~3~","0.0197","0.0175","","","0.0351","0.0359","","","","","","1.037","","","","has coordinates,has disorder","291066","2024-04-05","00:17:17",""
"7248202","12.7256","0.0007","13.6737","0.0007","20.4896","0.0011","89.3522","0.0008","89.6376","0.0008","89.7839","0.0008","3565","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H59 O Si4 Yb -","- C28 H59 O Si4 Yb -","- C112 H236 O4 Si16 Yb4 -","4","2","","Ashuiev, Anton; Allouche, Florian; Islam, Md Ashraful; Carvalho, José P; Sanders, Kevin J.; Conley, Matthew P.; Klose, Daniel; Lapadula, Giuseppe; Wörle, Michael; Baabe, Dirk; Walter, Marc D.; Pell, Andrew J.; Copéret, Christophe; Jeschke, Gunnar; Pintacuda, Guido; Andersen, Richard A.","Geometry and electronic structure of Yb(III)[CH(SiMe<sub>3</sub>)<sub>2</sub>]<sub>3</sub> from EPR and solid-state NMR augmented by computations.","Physical chemistry chemical physics : PCCP","2024","26","11","8734","8747","10.1039/d4cp00281d","","x-ray","0.71073","MoKα","K-L~3~","0.0678","0.0394","","","0.0747","0.0863","","","","","","1.027","","","","has coordinates,has disorder","291066","2024-04-05","00:17:17",""
"7248203","12.6785","0.0003","14.3864","0.0003","22.0939","0.0005","106.806","0.002","102.024","0.002","90.3602","0.0019","3763.59","0.16","100.6","0.8","100.6","0.8","","","","","","","","5","P -1","-P 1","2","","","","- C35 H61 O2 Si2 Yb -","- C35 H61 O2 Si2 Yb -","- C140 H244 O8 Si8 Yb4 -","4","2","","Ashuiev, Anton; Allouche, Florian; Islam, Md Ashraful; Carvalho, José P; Sanders, Kevin J.; Conley, Matthew P.; Klose, Daniel; Lapadula, Giuseppe; Wörle, Michael; Baabe, Dirk; Walter, Marc D.; Pell, Andrew J.; Copéret, Christophe; Jeschke, Gunnar; Pintacuda, Guido; Andersen, Richard A.","Geometry and electronic structure of Yb(III)[CH(SiMe<sub>3</sub>)<sub>2</sub>]<sub>3</sub> from EPR and solid-state NMR augmented by computations.","Physical chemistry chemical physics : PCCP","2024","26","11","8734","8747","10.1039/d4cp00281d","","x-ray","0.71073","MoKα","K-L~3~","0.0761","0.0584","","","0.1398","0.1509","","","","","","1.092","","","","has coordinates","291066","2024-04-05","00:17:17",""
"7248204","11.7879","0.0006","15.0748","0.0009","11.0619","0.0007","90","","90","","90","","1965.7","0.2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H15 Cl2 N3 Zn -","- C22 H15 Cl2 N3 Zn -","- C88 H60 Cl8 N12 Zn4 -","4","0.5","","Lee, Pei-Chin; Huang, Tzu-Chiao; Wu, Jing-Yun","Wavelike zinc coordination polymers: anion-modulated ligand conformation and fluorescence detection of 4-aminobenzylamine","CrystEngComm","2024","26","13","1819","1828","10.1039/D3CE01228J","","","0.71073","MoKα","","0.0565","0.0428","","","0.1152","0.1356","","","","","","1.11","","","","has coordinates","290886","2024-04-04","23:06:49",""
"7248205","8.8355","0.0006","18.3846","0.0011","13.1961","0.0008","90","","90.21","0.002","90","","2143.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 Br2 N3 Zn -","- C22 H15 Br2 N3 Zn -","- C88 H60 Br8 N12 Zn4 -","4","1","","Lee, Pei-Chin; Huang, Tzu-Chiao; Wu, Jing-Yun","Wavelike zinc coordination polymers: anion-modulated ligand conformation and fluorescence detection of 4-aminobenzylamine","CrystEngComm","2024","26","13","1819","1828","10.1039/D3CE01228J","","","0.71073","MoKα","","0.0897","0.0707","","","0.1938","0.215","","","","","","1.079","","","","has coordinates","290886","2024-04-04","23:06:49",""
"7248206","5.0509","0.0005","12.397","0.0014","22.448","0.002","90","","93.489","0.008","90","","1403","0.2","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C72 H56 N8 O4 -","4","1","","Hazarika, Pragyan J.; Gupta, Poonam; Allu, Suryanarayana; Nath, Naba K.","The photomechanical bending and photosalient effect of flexible crystals of an acylhydrazone","CrystEngComm","2024","26","12","1671","1676","10.1039/D3CE01321A","","","0.71073","MoKα","","0.1341","0.0688","","","0.1535","0.1887","","","","","","1.0255","","","","has coordinates","290905","2024-04-04","23:11:46",""
"7248207","8.2109","0.0002","13.5877","0.0003","15.4845","0.0003","90","","90.659","0.001","90","","1727.45","0.07","303","2","303","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 N -","- C24 H17 N -","- C96 H68 N4 -","4","1","","Guo, Tao; Hu, Penghua; Li, Jiaxin; Zhou, Yujia; Zhang, Panke; Zhao, Yunhui; Zhu, Congjun","Synthesis of the dibenzo[b,d]azepine skeleton via a catalyst-free ring expansion domino reaction","Green Chemistry","2024","26","7","3786","3790","10.1039/D3GC04626E","","","1.54178","cukα","","0.0722","0.0416","","","0.1049","0.1161","","","","","","1.039","","","","has coordinates","291003","2024-04-04","23:55:06",""
"7248208","7.8389","0.0008","13.8151","0.0016","17.198","0.002","90","","94.032","0.004","90","","1857.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-((Z)-((4-((E)-N-(thiazol-2(3H)-ylidene)sulfamoyl)phenyl)iminio)methylnaphthalen-2-olate","","- C20 H15 N3 O3 S2 -","- C20 H15 N3 O3 S2 -","- C80 H60 N12 O12 S8 -","4","1","","Malik, Abida Naseem; Ali, Akbar; Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Alam, Mohammad Mahtab; Mostafa, Mohamed S.; Kuznetsov, Aleksey","A synthetic approach towards drug modification: 2-hydroxy-1-naphthaldehyde based imine-zwitterion preparation, single-crystal study, Hirshfeld surface analysis, and computational investigation","RSC Advances","2024","14","10","6476","6493","10.1039/D3RA08727A","","","0.71073","MoKα","","0.0852","0.0437","","","0.0916","0.1087","","","","","","1.018","","","","has coordinates","289926","2024-02-22","02:35:08",""
"7248209","4.5436","0.0006","12.5255","0.0016","17.673","0.002","88.308","0.008","89.195","0.008","82.611","0.009","996.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(E)-1-(((4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl)iminio)methyl) naphthalen-2-olate","","- C23 H19 Cl N4 O -","- C23 H19 Cl N4 O -","- C46 H38 Cl2 N8 O2 -","2","1","","Malik, Abida Naseem; Ali, Akbar; Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Alam, Mohammad Mahtab; Mostafa, Mohamed S.; Kuznetsov, Aleksey","A synthetic approach towards drug modification: 2-hydroxy-1-naphthaldehyde based imine-zwitterion preparation, single-crystal study, Hirshfeld surface analysis, and computational investigation","RSC Advances","2024","14","10","6476","6493","10.1039/D3RA08727A","","","0.71073","MoKα","","0.1311","0.0763","","","0.2131","0.2358","","","","","","1.139","","","","has coordinates","289926","2024-02-22","02:35:09",""
"7248210","9.3848","0.0003","13.2196","0.0005","19.2723","0.0006","79.837","0.003","79.503","0.002","84.025","0.002","2307.68","0.14","119.99","0.1","119.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C60 H34 N4 O4 S2 -","- C60 H34 N4 O4 S2 -","- C120 H68 N8 O8 S4 -","2","1","","Chen, Meiling; Chen, Yuzhuo; Li, Yan; Lin, Yuhong; Wu, Yunan","Efficient orange and red thermally activated delayed fluorescence materials based on 1,8-naphthalimide derivatives","RSC Advances","2024","14","10","6494","6500","10.1039/D3RA08969J","","x-ray","1.54184","CuKα","","0.0425","0.0385","","","0.1011","0.1048","","","","","","1.038","","","","has coordinates","289927","2024-02-22","02:35:27",""
"7248211","10.9035","0.0004","16.1895","0.0006","24.4187","0.0017","102.495","0.005","95.298","0.004","105.416","0.003","4005.2","0.4","291.7","0.6","291.7","0.6","","","","","","","","4","P 1","P 1","1","","","","- C36 H24 N2 O2 -","- C36 H24 N2 O2 -","- C216 H144 N12 O12 -","6","6","","Chen, Meiling; Chen, Yuzhuo; Li, Yan; Lin, Yuhong; Wu, Yunan","Efficient orange and red thermally activated delayed fluorescence materials based on 1,8-naphthalimide derivatives","RSC Advances","2024","14","10","6494","6500","10.1039/D3RA08969J","","x-ray","1.54184","CuKα","","0.1625","0.1377","","","0.3838","0.4112","","","","","","1.384","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7248212","12.6937","0.0006","18.449","0.0008","19.5975","0.0007","75.711","0.004","77.491","0.004","88.11","0.004","4340.9","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C120 H163 Ag2 N34 O50 P S16 W12 -","- C112 H145 Ag2 N32 O48 P S16 W12 -","- C112 H145 Ag2 N32 O48 P S16 W12 -","1","0.5","","Song, Yuting; Zhang, Jia-Yi; Yang, Jin; Bo, Tao; Ma, Jian-Fang","Highly efficient photoelectrocatalytic oxidation of arsenic(iii) with a polyoxometalate-thiacalix[4]arene-based metal–organic complex-modified bismuth vanadate photoanode","Green Chemistry","2024","26","7","3874","3883","10.1039/D3GC04755E","","","0.71073","MoKα","","0.0969","0.0556","","","0.1062","0.1277","","","","","","1.055","","","","has coordinates","291002","2024-04-04","23:54:59",""
"7248213","14.61601","0.00013","4.09391","0.00004","18.54407","0.00016","90","","100.646","0.0008","90","","1090.52","0.017","93.15","","93.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","methyl (R)-2-(5-bromopyridin-2-yl)-4,5-dihydrothiazole-4-carboxylate","","- C10 H9 Br N2 O2 S -","- C10 H9 Br N2 O2 S -","- C40 H36 Br4 N8 O8 S4 -","4","1","","Yano, Tetsuya; Yamada, Takahiro; Isida, Hiroaki; Ohashi, Nami; Itoh, Toshimasa","2-cyanopyridine derivatives enable N-terminal cysteine bioconjugation and peptide bond cleavage of glutathione under aqueous and mild conditions","RSC Advances","2024","14","10","6542","6547","10.1039/D4RA00437J","","x-ray","1.54184","CuKα","","0.0218","0.0218","","","0.0563","0.0563","","","","","","1.132","","","","has coordinates","289935","2024-02-23","02:25:05",""
"7248214","9.0027","0.0003","7.527","0.0002","9.0306","0.0004","90","","114.109","0.005","90","","558.56","0.04","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C2 H12 Cl3 Fe N2 O6 -","- C2 H12 Cl3 Fe N2 O6 -","- C4 H24 Cl6 Fe2 N4 O12 -","2","0.5","","Lozančić, Ana; Burazer, Sanja; Renka, Sanja; Molčanov, Krešimir; Molčanov, Lidija; Jurić, Marijana","Proton transport in oxalate compounds of iron(iii) containing (alkyl)ammonium cations: the influence of the density of hydrogen bonds on conductivity","CrystEngComm","2024","26","13","1892","1901","10.1039/D3CE01267K","","","1.54184","CuKα","","0.0831","0.079","","","","0.2251","","","","","","1.149","","","","has coordinates","290888","2024-04-04","23:07:19",""
"7248215","7.488","0.0003","8.597","0.0004","9.896","0.0003","90.603","0.003","99.679","0.003","95.105","0.003","625.28","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H14 Cl2 Fe N O5 -","- C6 H14 Cl2 Fe N O5 -","- C12 H28 Cl4 Fe2 N2 O10 -","2","1","","Lozančić, Ana; Burazer, Sanja; Renka, Sanja; Molčanov, Krešimir; Molčanov, Lidija; Jurić, Marijana","Proton transport in oxalate compounds of iron(iii) containing (alkyl)ammonium cations: the influence of the density of hydrogen bonds on conductivity","CrystEngComm","2024","26","13","1892","1901","10.1039/D3CE01267K","","","1.54184","CuKα","","0.0696","0.0621","","","","0.2126","","","","","","1.448","","","","has coordinates","290888","2024-04-04","23:07:19",""
"7248216","11.2146","0.0005","8.5542","0.0003","15.9856","0.0007","90","","109.469","0.004","90","","1445.85","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H18 Cl2 Fe N O4 -","- C9 H18 Cl2 Fe N O4 -","- C36 H72 Cl8 Fe4 N4 O16 -","4","1","","Lozančić, Ana; Burazer, Sanja; Renka, Sanja; Molčanov, Krešimir; Molčanov, Lidija; Jurić, Marijana","Proton transport in oxalate compounds of iron(iii) containing (alkyl)ammonium cations: the influence of the density of hydrogen bonds on conductivity","CrystEngComm","2024","26","13","1892","1901","10.1039/D3CE01267K","","","1.54184","CuKα","","0.0807","0.0733","","","","0.1934","","","","","","1.021","","","","has coordinates,has disorder","290888","2024-04-04","23:07:19",""
"7248217","11.2283","0.0016","8.6109","0.0009","16.306","0.003","90","","109.46","0.019","90","","1486.5","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H18 Cl2 Fe N O4 -","- C9 H18 Cl2 Fe N O4 -","- C36 H72 Cl8 Fe4 N4 O16 -","4","1","","Lozančić, Ana; Burazer, Sanja; Renka, Sanja; Molčanov, Krešimir; Molčanov, Lidija; Jurić, Marijana","Proton transport in oxalate compounds of iron(iii) containing (alkyl)ammonium cations: the influence of the density of hydrogen bonds on conductivity","CrystEngComm","2024","26","13","1892","1901","10.1039/D3CE01267K","","","1.54184","CuKα","","0.2281","0.153","","","","0.4212","","","","","","1.212","","","","has coordinates","290888","2024-04-04","23:07:19",""
"7248218","34.238","0.002","16.0211","0.0009","33.7881","0.0017","90","","91.078","0.001","90","","18530.5","1.8","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C81 H93 Fe3 N12 O24 -","- C57 H37 Fe3 N4 O16 -","- C456 H296 Fe24 N32 O128 -","8","1","","Wang, Hao; Shi, Le; Cao, Honghao; Xiong, Zhangyi; Ma, Si; Pan, Jun; Chen, Zhijie","Synthesis of an iron-based metal–organic framework with octahedral cages for the selective capture of sulfur hexafluoride","CrystEngComm","2024","26","13","1912","1916","10.1039/D4CE00041B","","","0.71073","MoKα","","0.0814","0.0673","","","0.1948","0.2118","","","","","","1.029","","","","has coordinates","290889","2024-04-04","23:07:31",""
"7248219","13.9706","0.00016","26.3924","0.0003","19.9773","0.0003","90","","90","","90","","7365.98","0.16","100","0.1","100","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","Caff-Py","","","- C34 H43 N8 O15.5 -","- C34 H43 N8 O15.5 -","- C272 H344 N64 O124 -","8","1","","Molajafari, Fateme; Li, Tianrui; Abbasichaleshtori, Mehrnaz; Hajian Z. D., Moein; Cozzolino, Anthony F.; Fandrick, Daniel R.; Howe, Joshua D.","Computational screening for prediction of co-crystals: method comparison and experimental validation","CrystEngComm","2024","26","11","1620","1636","10.1039/D3CE01252B","","x-ray","1.54184","CuKα","","0.0553","0.0433","","","0.1127","0.1203","","","","","","1.033","","","","has coordinates","290895","2024-04-04","23:08:54",""
"7248220","15.2287","0.0015","23.0298","0.0018","5.8087","0.0004","90","","90","","90","","2037.2","0.3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17.5 H38.5 N2 O5.25 -","- C15 H31 N2 O4 -","- C60 H124 N8 O16 -","4","1","","Dobre, Ana; Koutsoukos, Spyridon; Philippi, Frederik; Rauber, Daniel; Kay, Christopher W. M.; Palumbo, Oriele; Roessler, Maxie M.; Welton, Tom","Understanding the effects of targeted modifications on the 1 : 2 Choline And GEranate structure.","Physical chemistry chemical physics : PCCP","2024","26","11","8858","8872","10.1039/d3cp05271k","","","0.71073","MoKα","","0.0876","0.0502","","","0.0944","0.1067","","","","","","0.956","","","","has coordinates","291068","2024-04-05","00:17:31",""
"7248221","14.2663","0.0004","20.3743","0.0006","22.7754","0.0005","90","","97.175","0.001","90","","6568.2","0.3","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C118 H124 Ag4 Mo8 N4 O28 P8 -","- C118 H124 Ag4 Mo8 N4 O28 P8 -","- C236 H248 Ag8 Mo16 N8 O56 P16 -","2","0.5","","Yao, Sheng-Jie; Qi, Zhen-Qing; Jiang, Zhan-Guo; Zhan, Cai-Hong","Polyoxometalate templated silver-bisphosphine sandwich: structurally tunable hybrid materials","CrystEngComm","2024","26","13","1798","1805","10.1039/D4CE00106K","","","0.71073","MoKα","","0.0434","0.0295","","","0.0695","0.0762","","","","","","1.044","","","","has coordinates,has disorder","290887","2024-04-04","23:07:03",""
"7248222","11.6266","0.001","12.7787","0.0012","13.669","0.0013","109.407","0.003","96.054","0.003","115.217","0.003","1658.7","0.3","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C58 H58 Ag2 Mo6 N2 O19 P4 -","- C58 H58 Ag2 Mo6 N2 O19 P4 -","- C58 H58 Ag2 Mo6 N2 O19 P4 -","1","0.5","","Yao, Sheng-Jie; Qi, Zhen-Qing; Jiang, Zhan-Guo; Zhan, Cai-Hong","Polyoxometalate templated silver-bisphosphine sandwich: structurally tunable hybrid materials","CrystEngComm","2024","26","13","1798","1805","10.1039/D4CE00106K","","","0.71073","MoKα","","0.028","0.0238","","","0.0668","0.0762","","","","","","1.165","","","","has coordinates","290887","2024-04-04","23:07:04",""
"7248223","15.7042","0.001","22.4607","0.0016","20.2442","0.0015","90","","102.668","0.002","90","","6966.9","0.8","273.15","","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C108 H104 Ag4 O40 P9 W12 -","- C108 H104 Ag4 O40 P9 W12 -","- C216 H208 Ag8 O80 P18 W24 -","2","0.5","","Yao, Sheng-Jie; Qi, Zhen-Qing; Jiang, Zhan-Guo; Zhan, Cai-Hong","Polyoxometalate templated silver-bisphosphine sandwich: structurally tunable hybrid materials","CrystEngComm","2024","26","13","1798","1805","10.1039/D4CE00106K","","","0.71073","MoKα","","0.0984","0.0656","","","0.1911","0.2166","","","","","","1.04","","","","has coordinates,has disorder","290887","2024-04-04","23:07:04",""
"7248224","14.0626","0.0004","14.8889","0.0003","27.6698","0.0007","100.653","0.001","93.37","0.002","109.707","0.001","5314","0.2","297","","297","","","","","","","","","6","P -1","-P 1","2","","","","- C162 H156 Ag6 Mo24 O80 P14 -","- C162 H156 Ag6 Mo24 O80 P14 -","- C162 H156 Ag6 Mo24 O80 P14 -","1","0.5","","Yao, Sheng-Jie; Qi, Zhen-Qing; Jiang, Zhan-Guo; Zhan, Cai-Hong","Polyoxometalate templated silver-bisphosphine sandwich: structurally tunable hybrid materials","CrystEngComm","2024","26","13","1798","1805","10.1039/D4CE00106K","","","1.54178","CuKα","","0.1021","0.0666","","","0.1547","0.1778","","","","","","1.033","","","","has coordinates","290887","2024-04-04","23:07:04",""
"7248225","21.798","0.0012","6.3399","0.0005","16.8128","0.001","90","","90.723","0.006","90","","2323.3","0.3","250","0.1","250","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4',4'',4'''-(([2,2'-bi(1,3-dithiolylidene)]-4,4',5,5'-tetrayltetrakis(sulfanediyl))tetrakis(methylene))tetrabenzoic acid, dimethylsufoxide solvate","","- C42 H40 O10 S10 -","- C42 H40 O10 S10 -","- C84 H80 O20 S20 -","2","0.5","","Cheret, Yohan; Avarvari, Narcis; Zigon, Nicolas","Metal–organic polyhedron from a flexible tetrakis(thiobenzyl-carboxylate)-tetrathiafulvalene","CrystEngComm","2024","26","15","2072","2077","10.1039/D3CE01251D","","x-ray","1.54184","CuKα","","0.079","0.0582","","","0.155","0.1759","","","","","","1.029","","","","has coordinates,has disorder","291597","2024-05-05","02:19:06",""
"7248226","19.081","0.003","31.525","0.006","20.06","0.002","90","","104.324","0.015","90","","11692","3","180","0.1","180","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","[tetrakis(μ~2~-4,4',4'',4'''-(([2,2'-bi(1,3-dithiolylidene)]-4,4',5,5'-tetrayltetrakis(sulfanediyl))tetrakis(methylene))tetrabenzoate-O,O')-bis(water)-di-copper(ii)]4, dimethylformamide solvate","","- C155.9 H101.1 Cu8 N1.3 O41.3 S32 -","- C155.48 H99.5 Cu8 N1.16 O41.16 S32 -","- C310.96 H199 Cu16 N2.32 O82.32 S64 -","2","0.5","","Cheret, Yohan; Avarvari, Narcis; Zigon, Nicolas","Metal–organic polyhedron from a flexible tetrakis(thiobenzyl-carboxylate)-tetrathiafulvalene","CrystEngComm","2024","26","15","2072","2077","10.1039/D3CE01251D","","x-ray","1.54184","CuKα","","0.1717","0.146","","","0.3817","0.4082","","","","","","1.43","","","","has coordinates,has disorder","291597","2024-05-05","02:19:09",""
"7248227","22.1127","0.0006","23.7586","0.0006","23.85","0.0005","95.728","0.002","94.436","0.002","102.342","0.002","12116.4","0.5","200","0.1","200","0.1","","","","","","","","6","P -1","-P 1","2","","copper(II)8-[mu-tetrakis(μ~2~-4,4',4'',4'''-(([2,2'-bi(1,3-dithiolylidene)]-4,4',5,5'-tetrayltetrakis(sulfanediyl))tetrakis(methylene))tetrabenzoate-O,O')-bis(dimethylacetamide/water), dimethylacetamide solvate","","- C193.92 H194.32 Cu8 N10.48 O44.48 S32 -","- C193.92 H194.32 Cu8 N10.48 O44.48 S32 -","- C387.84 H388.64 Cu16 N20.96 O88.96 S64 -","2","1","","Cheret, Yohan; Avarvari, Narcis; Zigon, Nicolas","Metal–organic polyhedron from a flexible tetrakis(thiobenzyl-carboxylate)-tetrathiafulvalene","CrystEngComm","2024","26","15","2072","2077","10.1039/D3CE01251D","","x-ray","1.54184","CuKα","","0.1269","0.1013","","","0.2782","0.3175","","","","","","1.069","","","","has coordinates,has disorder","291597","2024-05-05","02:19:10",""
"7248228","12.166","0.002","9.4954","0.0019","29.213","0.006","90","","97.081","0.005","90","","3349","1.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 N8 O6 Zn -","- C34 H36 N8 O6 Zn -","- C136 H144 N32 O24 Zn4 -","4","1","","Verma, Satyendra; Brahma, Rinki; Baruah, Jubaraj B.","Consequences of twisting of the flexible arms of imidazole-derived urea in zinc-dicarboxylate coordination polymers","CrystEngComm","2024","26","14","1976","1985","10.1039/D4CE00005F","","","0.71073","MoKα","","0.0314","0.0274","","","0.0648","0.0685","","","","","","1.058","","","","has coordinates","290894","2024-04-04","23:08:38",""
"7248229","10.887","0.002","13.685","0.003","16.805","0.004","90","","99.712","0.006","90","","2467.9","0.9","105","2","105","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 N5 O6 Zn -","- C24 H27 N5 O6 Zn -","- C96 H108 N20 O24 Zn4 -","4","1","","Verma, Satyendra; Brahma, Rinki; Baruah, Jubaraj B.","Consequences of twisting of the flexible arms of imidazole-derived urea in zinc-dicarboxylate coordination polymers","CrystEngComm","2024","26","14","1976","1985","10.1039/D4CE00005F","","","0.71073","MoKα","","0.0957","0.0703","","","0.1486","0.1721","","","","","","1.075","","","","has coordinates","290894","2024-04-04","23:08:38",""
"7248230","8.5917","0.0006","9.9828","0.0006","15.1695","0.001","90","","92.225","0.002","90","","1300.1","0.15","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 N4 O -","- C13 H16 N4 O -","- C52 H64 N16 O4 -","4","1","","Verma, Satyendra; Brahma, Rinki; Baruah, Jubaraj B.","Consequences of twisting of the flexible arms of imidazole-derived urea in zinc-dicarboxylate coordination polymers","CrystEngComm","2024","26","14","1976","1985","10.1039/D4CE00005F","","","0.71073","MoKα","","0.0784","0.0619","","","0.1158","0.1254","","","","","","1.166","","","","has coordinates","290894","2024-04-04","23:08:38",""
"7248231","16.0036","0.001","9.549","0.0006","27.2906","0.0017","90","","100.52","0.002","90","","4100.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 N8 O9 Zn -","- C38 H50 N8 O9 Zn -","- C152 H200 N32 O36 Zn4 -","4","1","","Verma, Satyendra; Brahma, Rinki; Baruah, Jubaraj B.","Consequences of twisting of the flexible arms of imidazole-derived urea in zinc-dicarboxylate coordination polymers","CrystEngComm","2024","26","14","1976","1985","10.1039/D4CE00005F","","","0.71073","MoKα","","0.1068","0.0573","","","0.1106","0.138","","","","","","1.08","","","","has coordinates","290894","2024-04-04","23:08:38",""
"7248232","8.7992","0.0002","16.6146","0.0004","16.7086","0.0004","119.195","0.002","91.698","0.002","102.782","0.002","2052.24","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H44 B F4 Ir N4 O5 -","- C44 H44 B F4 Ir N4 O5 -","- C88 H88 B2 F8 Ir2 N8 O10 -","2","1","","Stokes, Emily C.; Shoetan, Ibrahim O.; Gillman, Alice M.; Horton, Peter N.; Coles, Simon J.; Woodbury, Simon E.; Fallis, Ian A.; Pope, Simon J. A.","Alkyl chain functionalised Ir(iii) complexes: synthesis, properties and behaviour as emissive dopants in microemulsions","RSC Advances","2024","14","10","6987","6997","10.1039/D3RA06764E","","x-ray","0.71075","MoKα","K-L~3~","0.0312","0.0264","","","0.0658","0.0674","","","","","","1.073","","","","has coordinates,has disorder","289978","2024-02-28","02:36:20",""
"7248233","9.7337","0.0002","16.324","0.0003","18.6845","0.0004","100.368","0.002","91.4","0.002","104.629","0.002","2818.06","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H68 B F4 Ir N5 O5.5 -","- C62 H68 B F4 Ir N5 O5.5 -","- C124 H136 B2 F8 Ir2 N10 O11 -","2","1","","Stokes, Emily C.; Shoetan, Ibrahim O.; Gillman, Alice M.; Horton, Peter N.; Coles, Simon J.; Woodbury, Simon E.; Fallis, Ian A.; Pope, Simon J. A.","Alkyl chain functionalised Ir(iii) complexes: synthesis, properties and behaviour as emissive dopants in microemulsions","RSC Advances","2024","14","10","6987","6997","10.1039/D3RA06764E","","x-ray","0.71075","MoKα","K-L~3~","0.0372","0.031","","","0.0758","0.0781","","","","","","1.045","","","","has coordinates,has disorder","289978","2024-02-28","02:36:21",""
"7248234","3.8023","0.0002","17.9097","0.0009","15.9061","0.0008","90","","93.96","0.004","90","","1080.59","0.1","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H9 N -","- C17 H9 N -","- C68 H36 N4 -","4","1","","Seki, Tomohiro; Hattori, Kota","Mechanochromic aromatic hydrocarbons that bear one simple substituent","RSC Advances","2024","14","11","7258","7262","10.1039/D3RA08519H","","x-ray","1.54184","CuKα","","0.0986","0.087","","","0.2486","0.2583","","","","","","1.12","","","","has coordinates","290016","2024-03-01","02:22:49",""
"7248235","7.0073","0.0008","11.8847","0.0012","15.9967","0.0017","90","","101.95","0.004","90","","1303.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 Cl2 N4 O2 Tc -","- C9 H11 Cl2 N4 O2 Tc -","- C36 H44 Cl8 N16 O8 Tc4 -","4","1","","Novikov, Anton P.; Volkov, Mikhail A.","The influence of the alkoxy substituent length on the crystal structures of Tc(v) complexes with pyrazine","CrystEngComm","2024","26","12","1747","1755","10.1039/D4CE00029C","","","0.71073","MoKα","","0.0591","0.0363","","","0.0712","0.0784","","","","","","1.029","","","","has coordinates","290904","2024-04-04","23:11:34",""
"7248236","8.0605","0.0006","33.63","0.003","12.0796","0.0009","90","","108.857","0.003","90","","3098.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H15 Cl2 N4 O2 Tc -","- C11 H15 Cl2 N4 O2 Tc -","- C88 H120 Cl16 N32 O16 Tc8 -","8","2","","Novikov, Anton P.; Volkov, Mikhail A.","The influence of the alkoxy substituent length on the crystal structures of Tc(v) complexes with pyrazine","CrystEngComm","2024","26","12","1747","1755","10.1039/D4CE00029C","","","0.71073","MoKα","","0.0787","0.0461","","","0.0833","0.0956","","","","","","1.017","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7248237","9.0399","0.0005","14.145","0.0008","14.986","0.0008","69.993","0.002","84.129","0.002","83.815","0.002","1785.73","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H21 Cl2 N4 O2 Tc -","- C14 H21 Cl2 N4 O2 Tc -","- C56 H84 Cl8 N16 O8 Tc4 -","4","2","","Novikov, Anton P.; Volkov, Mikhail A.","The influence of the alkoxy substituent length on the crystal structures of Tc(v) complexes with pyrazine","CrystEngComm","2024","26","12","1747","1755","10.1039/D4CE00029C","","","0.71073","MoKα","","0.0572","0.0407","","","0.0814","0.0886","","","","","","1.037","","","","has coordinates","290904","2024-04-04","23:11:34",""
"7248238","11.6629","0.0006","9.0674","0.0005","14.0443","0.0007","90","","105.197","0.002","90","","1433.28","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 Cl2 N4 O2 Tc -","- C10 H13 Cl2 N4 O2 Tc -","- C40 H52 Cl8 N16 O8 Tc4 -","4","1","","Novikov, Anton P.; Volkov, Mikhail A.","The influence of the alkoxy substituent length on the crystal structures of Tc(v) complexes with pyrazine","CrystEngComm","2024","26","12","1747","1755","10.1039/D4CE00029C","","","0.71073","MoKα","","0.031","0.0228","","","0.0456","0.0488","","","","","","1.022","","","","has coordinates,has disorder","290904","2024-04-04","23:11:34",""
"7248239","14.089","0.002","9.1069","0.0015","16.009","0.003","90","","113.149","0.006","90","","1888.7","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H23 Cl2 N4 O2 Tc -","- C15 H23 Cl2 N4 O2 Tc -","- C60 H92 Cl8 N16 O8 Tc4 -","4","1","","Novikov, Anton P.; Volkov, Mikhail A.","The influence of the alkoxy substituent length on the crystal structures of Tc(v) complexes with pyrazine","CrystEngComm","2024","26","12","1747","1755","10.1039/D4CE00029C","","","0.71073","MoKα","","0.1658","0.0614","","","0.1111","0.1478","","","","","","0.965","","","","has coordinates","290904","2024-04-04","23:11:34",""
"7248240","6.8651","0.0006","7.6286","0.0007","19.7846","0.0018","86.031","0.003","89.719","0.004","72.288","0.004","984.52","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H25 Cl2 N4 O2 Tc -","- C16 H25 Cl2 N4 O2 Tc -","- C32 H50 Cl4 N8 O4 Tc2 -","2","1","","Novikov, Anton P.; Volkov, Mikhail A.","The influence of the alkoxy substituent length on the crystal structures of Tc(v) complexes with pyrazine","CrystEngComm","2024","26","12","1747","1755","10.1039/D4CE00029C","","","0.71073","MoKα","","0.0748","0.0466","","","0.0799","0.0886","","","","","","0.984","","","","has coordinates","290904","2024-04-04","23:11:34",""
"7248241","6.8766","0.0004","7.6359","0.0005","21.635","0.0013","92.223","0.002","94.493","0.002","107.672","0.002","1076.75","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H29 Cl2 N4 O2 Tc -","- C18 H29 Cl2 N4 O2 Tc -","- C36 H58 Cl4 N8 O4 Tc2 -","2","1","","Novikov, Anton P.; Volkov, Mikhail A.","The influence of the alkoxy substituent length on the crystal structures of Tc(v) complexes with pyrazine","CrystEngComm","2024","26","12","1747","1755","10.1039/D4CE00029C","","","0.71073","MoKα","","0.0496","0.0346","","","0.0608","0.0654","","","","","","1.033","","","","has coordinates","290904","2024-04-04","23:11:34",""
"7248242","14.0797","0.001","8.8218","0.0006","14.5189","0.0009","90","","109.072","0.002","90","","1704.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 Cl2 N4 O2 Tc -","- C13 H19 Cl2 N4 O2 Tc -","- C52 H76 Cl8 N16 O8 Tc4 -","4","1","","Novikov, Anton P.; Volkov, Mikhail A.","The influence of the alkoxy substituent length on the crystal structures of Tc(v) complexes with pyrazine","CrystEngComm","2024","26","12","1747","1755","10.1039/D4CE00029C","","","0.71073","MoKα","","0.0539","0.0321","","","0.0561","0.0628","","","","","","1.006","","","","has coordinates","290904","2024-04-04","23:11:34",""
"7248243","9.0647","0.0011","12.8136","0.0015","14.4134","0.0017","74.521","0.005","82.598","0.006","83.057","0.005","1593.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H17 Cl2 N4 O2 Tc -","- C12 H17 Cl2 N4 O2 Tc -","- C48 H68 Cl8 N16 O8 Tc4 -","4","2","","Novikov, Anton P.; Volkov, Mikhail A.","The influence of the alkoxy substituent length on the crystal structures of Tc(v) complexes with pyrazine","CrystEngComm","2024","26","12","1747","1755","10.1039/D4CE00029C","","","0.71073","MoKα","","0.1207","0.0633","","","0.1015","0.1238","","","","","","0.949","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7248244","9.612","0.004","10.482","0.004","21.517","0.008","101.141","0.017","99.638","0.016","90.665","0.016","2094.9","1.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H27 Cl2 N4 O2 Tc -","- C17 H27 Cl2 N4 O2 Tc -","- C68 H108 Cl8 N16 O8 Tc4 -","4","2","","Novikov, Anton P.; Volkov, Mikhail A.","The influence of the alkoxy substituent length on the crystal structures of Tc(v) complexes with pyrazine","CrystEngComm","2024","26","12","1747","1755","10.1039/D4CE00029C","","","0.71073","MoKα","","0.2912","0.0925","","","0.1586","0.2352","","","","","","0.935","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7248245","36.623","0.006","8.325","0.002","10.0606","0.0014","90","","97.746","0.013","90","","3039.4","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H29 N5 O4 -","- C36 H29 N5 O4 -","- C144 H116 N20 O16 -","4","0.5","","Lai, Xiaoxia; Liu, Xinxin; Yang, Ye; Huang, Jinyan; Song, Shichang; Ren, Shicheng; Liang, Xuexue; Wu, Dongqi; Zhou, Liya; Chen, Peican","In situ generated dimethylamine constructs a robust hydrogen-bonded organic framework for selective fluorescence detection","CrystEngComm","2024","26","13","1876","1883","10.1039/D4CE00004H","","x-ray","0.71073","synchrotron","","0.1314","0.0626","","","0.0969","0.1206","","","","","","0.981","","","","has coordinates","290883","2024-04-04","23:06:06",""
"7248246","36.466","0.007","8.2745","0.0015","10.0269","0.0018","90","","97.792","0.003","90","","2997.6","1","296.15","","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H29 N5 O4 -","- C36 H29 N5 O4 -","- C144 H116 N20 O16 -","4","0.5","","Lai, Xiaoxia; Liu, Xinxin; Yang, Ye; Huang, Jinyan; Song, Shichang; Ren, Shicheng; Liang, Xuexue; Wu, Dongqi; Zhou, Liya; Chen, Peican","In situ generated dimethylamine constructs a robust hydrogen-bonded organic framework for selective fluorescence detection","CrystEngComm","2024","26","13","1876","1883","10.1039/D4CE00004H","","","0.71073","MoKα","","0.0799","0.0469","","","0.1139","0.1312","","","","","","1.03","","","","has coordinates","290883","2024-04-04","23:06:06",""
"7248247","18.3042","0.0002","18.3042","0.0002","18.3042","0.0002","90","","90","","90","","6132.71","0.12","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C63 H78 Cl Cu N6 O7 -","- C63 H78 Cl Cu N6 O7 -","- C252 H312 Cl4 Cu4 N24 O28 -","4","0.333333","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.081","0.0701","","","0.1848","0.1952","","","","","","1.042","","","","has coordinates","291598","2024-05-05","02:20:09",""
"7248248","11.5467","0.0012","17.9284","0.0018","19.841","0.002","90","","90","","90","","4107.4","0.7","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H48 Cl Cu N6 O4 -","- C39 H48 Cl Cu N6 O4 -","- C156 H192 Cl4 Cu4 N24 O16 -","4","1","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.1529","0.1241","","","0.3243","0.3559","","","","","","1.055","","","","has coordinates","291598","2024-05-05","02:20:12",""
"7248249","18.0217","0.0003","18.0217","0.0003","18.0217","0.0003","90","","90","","90","","5853.12","0.17","250","2","250","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C48 H72 Cl Cu N6 O7 -","- C48 H72 Cl Cu N6 O7 -","- C192 H288 Cl4 Cu4 N24 O28 -","4","0.333333","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.0481","0.039","","","0.0949","0.0989","","","","","","1.043","","","","has coordinates","291598","2024-05-05","02:20:12",""
"7248250","18.231","0.0002","18.231","0.0002","18.231","0.0002","90","","90","","90","","6059.43","0.12","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C63 H78 Cl Cu N6 O7 -","- C63 H80.0001 Cl Cu N6 O7 -","- C252 H320 Cl4 Cu4 N24 O28 -","4","0.333333","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.0776","0.0723","","","0.1995","0.2056","","","","","","1.086","","","","has coordinates,has disorder","291598","2024-05-05","02:20:12",""
"7248251","18.0116","0.0002","18.0116","0.0002","18.0116","0.0002","90","","90","","90","","5843.28","0.11","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C51 H78 Cl Cu N6 O7 -","- C51 H78 Cl Cu N6 O7 -","- C204 H312 Cl4 Cu4 N24 O28 -","4","0.333333","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.0753","0.0727","","","0.2028","0.2069","","","","","","1.048","","","","has coordinates","291598","2024-05-05","02:20:12",""
"7248252","17.9422","0.0004","17.9422","0.0004","17.9422","0.0004","90","","90","","90","","5776","0.2","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C48 H72 Cl Cu N6 O7 -","- C48 H72 Cl Cu N6 O7 -","- C192 H288 Cl4 Cu4 N24 O28 -","4","0.333333","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.0385","0.0339","","","0.0874","0.0903","","","","","","1.058","","","","has coordinates","291598","2024-05-05","02:20:12",""
"7248253","18.2489","0.0002","18.2489","0.0002","18.2489","0.0002","90","","90","","90","","6077.29","0.12","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C63 H78 Cl Cu N6 O7 -","- C63 H78 Cl Cu N6 O7 -","- C252 H312 Cl4 Cu4 N24 O28 -","4","0.333333","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.0805","0.0775","","","0.2099","0.2135","","","","","","1.075","","","","has coordinates,has disorder","291598","2024-05-05","02:20:12",""
"7248254","18.0076","0.0003","18.0076","0.0003","18.0076","0.0003","90","","90","","90","","5839.39","0.17","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C51 H78 Cl Cu N6 O7 -","- C51 H78 Cl Cu N6 O7 -","- C204 H312 Cl4 Cu4 N24 O28 -","4","0.333333","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.0717","0.0698","","","0.1912","0.194","","","","","","1.051","","","","has coordinates","291598","2024-05-05","02:20:12",""
"7248255","18.2443","0.0003","18.2443","0.0003","18.2443","0.0003","90","","90","","90","","6072.7","0.17","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C63 H78 Cl Cu N6 O7 -","- C63 H78 Cl Cu N6 O7 -","- C252 H312 Cl4 Cu4 N24 O28 -","4","0.333333","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.0786","0.076","","","0.2049","0.2082","","","","","","1.069","","","","has coordinates,has disorder","291598","2024-05-05","02:20:12",""
"7248256","14.2868","0.0002","14.2868","0.0002","24.4236","0.0008","90","","90","","90","","4985.17","0.19","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C42 H54 Mo2.7 N6 Re3.3 S8 -","- C42 H54 Mo2.7 N6 Re3.3 S8 -","- C168 H216 Mo10.8 N24 Re13.2 S32 -","4","0.25","","Lappi, Tatiana I.; Gaifulin, Yakov M.; Sukhikh, Taisiya S.; Gaifulina, Viktoria K.; Yanshole, Vadim V.; Cordier, Stephane; Naumov, Nikolay G.","Molecular heterometallic clusters [Re6−xMoxS8L6] (x = 2–3, L = py, etpy, tbp): negligible influence of the x value on the crystal structures","CrystEngComm","2024","26","12","1720","1729","10.1039/D3CE01229H","","","0.71073","MoKα","","0.0301","0.0189","","","0.0363","0.039","","","","","","1.06","","","","has coordinates,has disorder","290908","2024-04-04","23:12:33",""
"7248257","9.3333","0.0002","10.552","0.0002","11.8701","0.0002","114.453","0.001","91.101","0.001","108.996","0.001","989.99","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H30 Mo2 N6 Re4 S8 -","- C30 H30 Mo2 N6 Re4 S8 -","- C30 H30 Mo2 N6 Re4 S8 -","1","0.5","","Lappi, Tatiana I.; Gaifulin, Yakov M.; Sukhikh, Taisiya S.; Gaifulina, Viktoria K.; Yanshole, Vadim V.; Cordier, Stephane; Naumov, Nikolay G.","Molecular heterometallic clusters [Re6−xMoxS8L6] (x = 2–3, L = py, etpy, tbp): negligible influence of the x value on the crystal structures","CrystEngComm","2024","26","12","1720","1729","10.1039/D3CE01229H","","","0.71073","MoKα","","0.0324","0.0274","","","0.0493","0.0515","","","","","","1.023","","","","has coordinates","290908","2024-04-04","23:12:33",""
"7248258","9.3362","0.0008","10.5758","0.0008","11.8771","0.0009","114.524","0.002","91.007","0.003","109.1","0.003","992.01","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H30 Mo3 N6 Re3 S8 -","- C30 H30 Mo2.9998 N6 Re3.0002 S8 -","- C30 H30 Mo2.9998 N6 Re3.0002 S8 -","1","0.5","","Lappi, Tatiana I.; Gaifulin, Yakov M.; Sukhikh, Taisiya S.; Gaifulina, Viktoria K.; Yanshole, Vadim V.; Cordier, Stephane; Naumov, Nikolay G.","Molecular heterometallic clusters [Re6−xMoxS8L6] (x = 2–3, L = py, etpy, tbp): negligible influence of the x value on the crystal structures","CrystEngComm","2024","26","12","1720","1729","10.1039/D3CE01229H","","","0.71073","MoKα","","0.0239","0.0217","","","0.0479","0.0488","","","","","","1.059","","","","has coordinates","290908","2024-04-04","23:12:33",""
"7248259","9.3458","0.0004","10.5903","0.0004","11.8441","0.0005","114.432","0.001","90.749","0.001","109.192","0.001","992.72","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H30 Mo2.65 N6 Re3.35 S8 -","- C30 H30 Mo2.654 N6 Re3.346 S8 -","- C30 H30 Mo2.654 N6 Re3.346 S8 -","1","0.5","","Lappi, Tatiana I.; Gaifulin, Yakov M.; Sukhikh, Taisiya S.; Gaifulina, Viktoria K.; Yanshole, Vadim V.; Cordier, Stephane; Naumov, Nikolay G.","Molecular heterometallic clusters [Re6−xMoxS8L6] (x = 2–3, L = py, etpy, tbp): negligible influence of the x value on the crystal structures","CrystEngComm","2024","26","12","1720","1729","10.1039/D3CE01229H","","","0.71073","MoKα","","0.024","0.0195","","","0.0402","0.0418","","","","","","1.044","","","","has coordinates,has disorder","290908","2024-04-04","23:12:33",""
"7248260","14.2677","0.0011","14.2677","0.0011","24.473","0.004","90","","90","","90","","4981.9","1","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C42 H54 Mo3 N6 Re3 S8 -","- C42 H54 Mo2.9998 N6 Re3.0002 S8 -","- C168 H216 Mo11.9992 N24 Re12.0008 S32 -","4","0.25","","Lappi, Tatiana I.; Gaifulin, Yakov M.; Sukhikh, Taisiya S.; Gaifulina, Viktoria K.; Yanshole, Vadim V.; Cordier, Stephane; Naumov, Nikolay G.","Molecular heterometallic clusters [Re6−xMoxS8L6] (x = 2–3, L = py, etpy, tbp): negligible influence of the x value on the crystal structures","CrystEngComm","2024","26","12","1720","1729","10.1039/D3CE01229H","","","0.71073","MoKα","","0.0417","0.0245","","","0.0456","0.0516","","","","","","1.033","","","","has coordinates,has disorder","290908","2024-04-04","23:12:33",""
"7248261","26.7541","0.0006","26.7541","0.0006","9.3946","0.0003","90","","90","","90","","6724.5","0.3","296","2","296","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C54 H78 Mo2.7 N6 Re3.3 S8 -","- C54 H78 Mo2.7 N6 Re3.3 S8 -","- C216 H312 Mo10.8 N24 Re13.2 S32 -","4","0.5","","Lappi, Tatiana I.; Gaifulin, Yakov M.; Sukhikh, Taisiya S.; Gaifulina, Viktoria K.; Yanshole, Vadim V.; Cordier, Stephane; Naumov, Nikolay G.","Molecular heterometallic clusters [Re6−xMoxS8L6] (x = 2–3, L = py, etpy, tbp): negligible influence of the x value on the crystal structures","CrystEngComm","2024","26","12","1720","1729","10.1039/D3CE01229H","","","0.71073","MoKα","","0.0473","0.0369","","","0.066","0.0691","","","","","","1.161","","","","has coordinates,has disorder","290908","2024-04-04","23:12:33",""
"7248262","14.3459","0.0011","15.5318","0.0013","18.3357","0.0014","105.271","0.003","103.906","0.003","100.383","0.003","3694.1","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C59.17 H85.75 Mo3 N8.59 Re3 S8 -","- C59.168 H85.752 Mo3 N8.584 Re3 S8 -","- C118.336 H171.504 Mo6 N17.168 Re6 S16 -","2","1","","Lappi, Tatiana I.; Gaifulin, Yakov M.; Sukhikh, Taisiya S.; Gaifulina, Viktoria K.; Yanshole, Vadim V.; Cordier, Stephane; Naumov, Nikolay G.","Molecular heterometallic clusters [Re6−xMoxS8L6] (x = 2–3, L = py, etpy, tbp): negligible influence of the x value on the crystal structures","CrystEngComm","2024","26","12","1720","1729","10.1039/D3CE01229H","","","0.71073","MoKα","","0.065","0.0408","","","0.0825","0.0939","","","","","","1.045","","","","has coordinates,has disorder","290908","2024-04-04","23:12:33",""
"7248263","14.3716","0.0004","15.5898","0.0004","18.3061","0.0005","105.324","0.001","104.101","0.001","100.184","0.001","3706.74","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C59.19 H85.79 Mo2 N8.6 Re4 S8 -","- C59.188 H85.782 Mo2 N8.594 Re4 S8 -","- C118.376 H171.564 Mo4 N17.188 Re8 S16 -","2","1","","Lappi, Tatiana I.; Gaifulin, Yakov M.; Sukhikh, Taisiya S.; Gaifulina, Viktoria K.; Yanshole, Vadim V.; Cordier, Stephane; Naumov, Nikolay G.","Molecular heterometallic clusters [Re6−xMoxS8L6] (x = 2–3, L = py, etpy, tbp): negligible influence of the x value on the crystal structures","CrystEngComm","2024","26","12","1720","1729","10.1039/D3CE01229H","","","0.71073","MoKα","","0.0339","0.0272","","","0.058","0.0605","","","","","","1.027","","","","has coordinates,has disorder","290908","2024-04-04","23:12:33",""
"7248264","14.2615","0.0004","14.2615","0.0004","24.4091","0.001","90","","90","","90","","4964.6","0.3","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C42 H54 Mo2 N6 Re4 S8 -","- C42 H54 Mo2 N6 Re4 S8 -","- C168 H216 Mo8 N24 Re16 S32 -","4","0.25","","Lappi, Tatiana I.; Gaifulin, Yakov M.; Sukhikh, Taisiya S.; Gaifulina, Viktoria K.; Yanshole, Vadim V.; Cordier, Stephane; Naumov, Nikolay G.","Molecular heterometallic clusters [Re6−xMoxS8L6] (x = 2–3, L = py, etpy, tbp): negligible influence of the x value on the crystal structures","CrystEngComm","2024","26","12","1720","1729","10.1039/D3CE01229H","","","0.71073","MoKα","","0.0414","0.0218","","","0.04","0.0445","","","","","","1.055","","","","has coordinates,has disorder","290908","2024-04-04","23:12:33",""
"7248265","33.21","0.05","10.16","0.013","16.17","0.02","90","","112.22","0.03","90","","5051","12","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C46 H68 N8 O8 -","- C46 H68 N8 O8 -","- C184 H272 N32 O32 -","4","1","","Nalawade, Sachin A.; Kumar, Mothukuri Ganesh; Puneeth Kumar, DRGKoppalu R.; Singh, Manjeet; Dey, Sanjit; Gopi, Hosahudya N.","Crystal structure analysis of helix–turn–helix type motifs in α,γ-hybrid peptides","CrystEngComm","2024","26","7","913","917","10.1039/D3CE01236K","","","0.71073","MoKα","","0.2183","0.1038","","","0.2341","0.3234","","","","","","0.926","","","","has coordinates","290049","2024-03-04","03:30:22",""
"7248266","14.637","0.008","19.378","0.009","16.197","0.007","90","","104.947","0.016","90","","4439","4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C65 H120 N12 O13 -","- C65 H120 N12 O13 -","- C130 H240 N24 O26 -","2","1","","Nalawade, Sachin A.; Kumar, Mothukuri Ganesh; Puneeth Kumar, DRGKoppalu R.; Singh, Manjeet; Dey, Sanjit; Gopi, Hosahudya N.","Crystal structure analysis of helix–turn–helix type motifs in α,γ-hybrid peptides","CrystEngComm","2024","26","7","913","917","10.1039/D3CE01236K","","","0.71073","MoKα","","0.0876","0.0531","","","0.1158","0.1277","","","","","","1.014","","","","has coordinates","290049","2024-03-04","03:30:23",""
"7248267","17.73","0.1","10.52","0.06","28.85","0.16","90","","99.42","0.08","90","","5309","5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C45 H72 N8 O8 -","- C45 H72 N8 O8 -","- C180 H288 N32 O32 -","4","2","","Nalawade, Sachin A.; Kumar, Mothukuri Ganesh; Puneeth Kumar, DRGKoppalu R.; Singh, Manjeet; Dey, Sanjit; Gopi, Hosahudya N.","Crystal structure analysis of helix–turn–helix type motifs in α,γ-hybrid peptides","CrystEngComm","2024","26","7","913","917","10.1039/D3CE01236K","","","0.71073","MoKα","","0.2139","0.107","","","0.2415","0.2902","","","","","","1.026","","","","has coordinates","290049","2024-03-04","03:30:23",""
"7248268","6.9783","0.0011","7.2131","0.0011","16.191","0.003","89.097","0.002","87.703","0.002","67.944","0.002","754.7","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H11 N O4 -","- C17 H11 N O4 -","- C34 H22 N2 O8 -","2","1","","Zhao, Bo; Lu, Jiangfeng; Liu, Hao; Li, Senlin; Sun, Qiaozhen; Zhang, Bingguang","Design and synthesis of a turn-off fluorescent sensor based on a multifunctional Zn(ii) coordination polymer for the detection of Fe3+, Hg2+ and 4-nitrophenol","CrystEngComm","2024","26","9","1319","1327","10.1039/D3CE01174G","","","0.71073","MoKα","","0.0896","0.0572","","","0.188","0.2046","","","","","","1.057","","","","has coordinates","290050","2024-03-04","03:31:28",""
"7248269","23.861","0.002","12.381","0.0011","17.8166","0.0017","90","","112.927","0.002","90","","4847.6","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 N4 O4 Zn -","- C27 H20 N4 O4 Zn -","- C216 H160 N32 O32 Zn8 -","8","1","","Zhao, Bo; Lu, Jiangfeng; Liu, Hao; Li, Senlin; Sun, Qiaozhen; Zhang, Bingguang","Design and synthesis of a turn-off fluorescent sensor based on a multifunctional Zn(ii) coordination polymer for the detection of Fe3+, Hg2+ and 4-nitrophenol","CrystEngComm","2024","26","9","1319","1327","10.1039/D3CE01174G","","","0.71073","MoKα","","0.1412","0.0541","","","0.1091","0.1371","","","","","","0.998","","","","has coordinates,has disorder","290050","2024-03-04","03:31:29",""
"7248270","8.8359","0.0015","9.5857","0.0018","10.325","0.002","90.933","0.007","92.085","0.007","107.286","0.006","834.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H15 Cl2 N5 O2 Pb -","- C13 H15 Cl2 N5 O2 Pb -","- C26 H30 Cl4 N10 O4 Pb2 -","2","1","","Garcia-Santos, Isabel; Iglesias-Pereiro, Tamara; Labisbal, Elena; Castiñeiras, Alfonso; Eftekhari-Sis, Bagher; Mahmoudi, Ghodrat; Sagan, Filip; Mitoraj, Mariusz P.; Safin, Damir A.","An extended supramolecular coordination compound produced from PbCl2 and N′-isonicotinoylpicolinohydrazonamide","CrystEngComm","2024","26","9","1252","1260","10.1039/D3CE01066J","","","0.71073","MoKα","","0.0155","0.0134","","","0.027","0.0275","","","","","","1.052","","","","has coordinates","290051","2024-03-04","03:31:48",""
"7248271","19.5653","0.0003","16.6631","0.0002","14.1015","0.0002","90","","107.245","0.002","90","","4390.68","0.12","106","8","106","8","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","a-benzethizoyl-3-pyrrolyl BODIPY","","- C27 H19 B F2 N4 S -","- C27 H19 B F2 N4 S -","- C216 H152 B8 F16 N32 S8 -","8","1","","Behera, Kanhu Charan; Mohanty, Roshnara; Ravikanth, Mangalampalli","An α-benzithiazolyl 3-pyrrolyl BODIPY probe for ratiometric selective sensing of cyanide ions and bioimaging studies.","Physical chemistry chemical physics : PCCP","2024","26","7","5868","5878","10.1039/d3cp05230c","","x-ray","0.71073","MoKα","","0.0382","0.0348","","","0.094","0.0962","","","","","","1.07","","","","has coordinates","290073","2024-03-04","16:36:23",""
"7248272","12.4249","0.0018","11.7971","0.0018","24.951","0.004","90","","95.752","0.003","90","","3638.8","1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","none","trans-alpha, alpha, alpha',alpha'-tetraphenyl-9,10-dihydro-9,10-ethano-anthracene-11,12-dimethanol 1,2-dichlorobenzene clathrate","","- C48 H38 Cl2 O2 -","- C48 H38 Cl2 O2 -","- C192 H152 Cl8 O8 -","4","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Host compounds based on the rigid 9,10-dihydro-9,10-ethanoanthracene framework: selectivity behaviour in mixed isomeric dichlorobenzenes","CrystEngComm","2024","26","13","1862","1875","10.1039/D4CE00113C","","","0.71073","MoKα","","0.0799","0.0577","","","0.151","0.1722","","","","","","1.02","","","","has coordinates","290884","2024-04-04","23:06:19",""
"7248273","23.236","0.001","15.6145","0.0008","24.0913","0.001","90","","115.807","0.003","90","","7869","0.7","200","2","200","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","trans- α,α,α',α'-tetraphenyl-9,10-dihydro-9,10-ethanoanthracene-11,12-dimethanol","","","- C48 H34 Cl6 O2 -","- C48 H34 Cl6 O2 -","- C384 H272 Cl48 O16 -","8","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Host compounds based on the rigid 9,10-dihydro-9,10-ethanoanthracene framework: selectivity behaviour in mixed isomeric dichlorobenzenes","CrystEngComm","2024","26","13","1862","1875","10.1039/D4CE00113C","","","0.71073","MoKα","","0.0616","0.045","","","0.1082","0.1205","","","","","","1.048","","","","has coordinates","290884","2024-04-04","23:06:20",""
"7248274","23.2834","0.0009","23.2834","0.0009","12.4263","0.0006","90","","90","","90","","6736.5","0.5","296","2","296","2","","","","","","","","4","I -4","I -4","82","trans-α,α,α',α'-tetra(p-chlorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-dimethanol","","","- C44 H35.33 Cl0.67 O2 -","- C43.9998 H35.3332 Cl0.6666 O2 -","- C351.998 H282.666 Cl5.3328 O16 -","8","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Host compounds based on the rigid 9,10-dihydro-9,10-ethanoanthracene framework: selectivity behaviour in mixed isomeric dichlorobenzenes","CrystEngComm","2024","26","13","1862","1875","10.1039/D4CE00113C","","","0.71073","MoKα","","0.0804","0.0566","","","0.1569","0.1771","","","","","","1.038","","","","has coordinates,has disorder","290884","2024-04-04","23:06:20",""
"7248275","9.4279","0.0002","9.4279","0.0002","25.1636","0.0007","90","","90","","90","","2236.67","0.09","150","","150","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C12 H16 Cl6 I2 N2 Te -","- C12 H16 Cl6 I2 N2 Te -","- C48 H64 Cl24 I8 N8 Te4 -","4","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A.","Polymeric polyiodo-chlorotellurates(iv): new supramolecular hybrids in halometalate chemistry","CrystEngComm","2024","26","14","2018","2024","10.1039/D4CE00088A","","","0.71073","MoKα","","0.0274","0.0226","","","0.0378","0.039","","","","","","1.048","","","","has coordinates","290892","2024-04-04","23:08:05",""
"7248276","13.6493","0.0011","10.0133","0.0006","18.0921","0.0014","90","","111.399","0.004","90","","2302.3","0.3","150","2","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Cl6 I2 N2 Te -","- C12 H16 Cl6 I2 N2 Te -","- C48 H64 Cl24 I8 N8 Te4 -","4","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A.","Polymeric polyiodo-chlorotellurates(iv): new supramolecular hybrids in halometalate chemistry","CrystEngComm","2024","26","14","2018","2024","10.1039/D4CE00088A","","","0.71073","MoKα","","0.0418","0.0303","","","0.0546","0.0578","","","","","","1.029","","","","has coordinates,has disorder","290892","2024-04-04","23:08:05",""
"7248277","12.6722","0.0002","9.9937","0.0002","17.2207","0.0003","90","","102.588","0.001","90","","2128.44","0.07","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H20 Cl6 I2 N2 Te -","- C5.9997 H19.999 Cl6 I2 N1.9999 Te -","- C23.9988 H79.996 Cl24 I8 N7.9996 Te4 -","4","1","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A.","Polymeric polyiodo-chlorotellurates(iv): new supramolecular hybrids in halometalate chemistry","CrystEngComm","2024","26","14","2018","2024","10.1039/D4CE00088A","","","0.71073","MoKα","","0.0398","0.028","","","0.0549","0.0586","","","","","","1.038","","","","has coordinates,has disorder","290892","2024-04-04","23:08:05",""
"7248278","17.8598","0.0011","7.4112","0.0005","17.6492","0.0011","90","","100.334","0.002","90","","2298.2","0.3","150","2","150","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C12 H16 Cl6 I2 N2 Te -","- C12 H16 Cl6 I2 N2 Te -","- C48 H64 Cl24 I8 N8 Te4 -","4","1","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A.","Polymeric polyiodo-chlorotellurates(iv): new supramolecular hybrids in halometalate chemistry","CrystEngComm","2024","26","14","2018","2024","10.1039/D4CE00088A","","x-ray","0.71073","MoKα","","0.0526","0.0313","","","0.0498","0.055","","","","","","1.04","","","","has coordinates","290892","2024-04-04","23:08:05",""
"7248279","16.9466","0.0009","9.6814","0.0005","13.3524","0.0007","90","","108.691","0.002","90","","2075.15","0.19","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 Cl6 I2 N2 Te -","- C10 H12 Cl6 I2 N2 Te -","- C40 H48 Cl24 I8 N8 Te4 -","4","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A.","Polymeric polyiodo-chlorotellurates(iv): new supramolecular hybrids in halometalate chemistry","CrystEngComm","2024","26","14","2018","2024","10.1039/D4CE00088A","","","0.71073","MoKα","","0.0376","0.0249","","","0.0431","0.0454","","","","","","1.044","","","","has coordinates,has disorder","290892","2024-04-04","23:08:05",""
"7248280","17.97496","0.0001","8.53541","0.00004","20.53738","0.0001","90","","92.6815","0.0005","90","","3147.47","0.03","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H53 N P2 S2 -","- C29 H53 N P2 S2 -","- C116 H212 N4 P8 S8 -","4","1","","Hood, Thomas M.; Lau, Samantha; Chaplin, Adrian B.","Capture of mechanically interlocked molecules by rhodium-mediated terminal alkyne dimerisation","RSC Advances","2024","14","11","7740","7744","10.1039/D4RA00566J","","x-ray","1.54184","CuKα","","0.0266","0.0251","","","0.0636","0.0648","","","","","","1.037","","","","has coordinates","290353","2024-03-06","02:15:31",""
"7248281","20.9615","0.0011","20.9615","0.0011","7.8858","0.0005","90","","90","","120","","3000.7","0.3","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","ETHYL MALTOL","","","- C7 H8 O3 -","- C7 H8 O3 -","- C126 H144 O54 -","18","1","","Thirumalaisamy, Anitha; Karuppannan, Srinivasan","Nucleation control and separation of ethyl maltol polymorphs under different growth conditions through solution crystallization process in selected solvent environments","CrystEngComm","2024","26","13","1902","1911","10.1039/D3CE01154B","","","0.71073","MoKα","","0.0349","0.0328","","","0.0893","0.0911","","","","","","1.062","","","","has coordinates","290885","2024-04-04","23:06:40",""
"7248282","4.8597","0.0007","6.8797","0.001","20.17","0.003","90","","95.2","0.004","90","","671.57","0.17","296","2","296","2","","","","","","","solution crystallization method","3","P 1 21/n 1","-P 2yn","14","ETHYL MALTOL","2ETHYL 3HYDROXY4PYRANONE","","- C7 H8 O3 -","- C7 H8 O3 -","- C28 H32 O12 -","4","1","","Thirumalaisamy, Anitha; Karuppannan, Srinivasan","Nucleation control and separation of ethyl maltol polymorphs under different growth conditions through solution crystallization process in selected solvent environments","CrystEngComm","2024","26","13","1902","1911","10.1039/D3CE01154B","","","0.71073","MoKα","","0.1785","0.0746","","","0.1173","0.1414","","","","","","1.067","","","","has coordinates","290885","2024-04-04","23:06:41",""
"7248283","7.1414","0.0008","7.6229","0.0008","7.6784","0.0008","62.162","0.003","68.379","0.003","76.408","0.003","342.61","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","ETHYL MALTOL","2-ETHYL-3-HYDROXY-4-PYRANONE","","- C7 H8 O3 -","- C7 H8 O3 -","- C14 H16 O6 -","2","1","","Thirumalaisamy, Anitha; Karuppannan, Srinivasan","Nucleation control and separation of ethyl maltol polymorphs under different growth conditions through solution crystallization process in selected solvent environments","CrystEngComm","2024","26","13","1902","1911","10.1039/D3CE01154B","","","0.71073","MoKα","","0.0647","0.0468","","","0.1161","0.1248","","","","","","1.09","","","","has coordinates","290885","2024-04-04","23:06:41",""
"7248284","10.476","0.0008","5.0246","0.0005","22.8902","0.0016","90","","97.761","0.007","90","","1193.85","0.17","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O2 -","- C15 H12 N2 O2 -","- C60 H48 N8 O8 -","4","1","","R., Thrilokraj; Małecki, Jan Grzegorz; Budagumpi, Srinivasa; Kshirsagar, Umesh A.; Dateer, Ramesh B.","Biomass derived Cu2O nanoparticles for N-atom insertion reactions: a base-free synthesis of quinazolinones with a green approach","Green Chemistry","2024","26","8","4723","4732","10.1039/D4GC00569D","","x-ray","0.71073","MoKα","","0.0839","0.0538","","","0.1291","0.1467","","","","","","1.046","","","","has coordinates","291658","2024-05-05","03:35:20",""
"7248285","16.598","0.0005","18.4583","0.0006","20.9945","0.0007","74.614","0.003","75.671","0.003","74.331","0.003","5863","0.3","213","0.1","213","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C80 H167 N4 O36 S Ti10 -","- C80 H167 N4 O36 S Ti10 -","- C160 H334 N8 O72 S2 Ti20 -","2","1","","Nai, Haoran; Hou, Jinle; Li, Jinyu; Ma, Xiaoxi; Yang, Yujia; Qu, Konggang; Huang, Xianqiang; Li, Lianzhi","Accurate assembly of thiophene-bridged titanium-oxo clusters with photocatalytic amine oxidation activity","RSC Advances","2024","14","11","7924","7931","10.1039/D4RA00117F","","x-ray","1.54184","CuKα","","0.0796","0.0631","","","0.1663","0.1774","","","","","","1.04","","","","has coordinates,has disorder","290370","2024-03-07","02:17:26",""
"7248286","9.6378","0.0001","13.1727","0.0001","10.2479","0.0001","90","","117.064","0.002","90","","1158.57","0.03","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H3 F7 N2 O2 -","- C12 H3 F7 N2 O2 -","- C48 H12 F28 N8 O8 -","4","1","","Giri, Indrajit; Biswas, Sagar; Chhetri, Shant; Choudhuri, Anwesha; Mondal, Indrajit; Senanayak, Satyaprasad P.; Iyer, Parameswar Krishnan; Chaudhuri, Debangshu; Vijayaraghavan, Ratheesh K.","Ambient stable solution-processed organic field effect transistors from electron deficient planar aromatics: effect of end-groups on ambient stability","RSC Advances","2024","14","11","7915","7923","10.1039/D4RA01499E","","","1.54184","CuKα","","0.0367","0.0339","","","0.0924","0.0957","","","","","","1.052","","","","has coordinates","290371","2024-03-07","02:17:44",""
"7248287","5.3597","0.0006","8.29","0.0008","15.7629","0.0008","99.995","0.006","93.825","0.007","95.201","0.008","684.48","0.11","100.01","0.13","100.01","0.13","","","","","","","","4","P -1","-P 1","2","","","","- C32.01 H34 N4 O4 -","- C32 H34 N4 O4 -","- C32 H34 N4 O4 -","1","0.5","","Giri, Indrajit; Biswas, Sagar; Chhetri, Shant; Choudhuri, Anwesha; Mondal, Indrajit; Senanayak, Satyaprasad P.; Iyer, Parameswar Krishnan; Chaudhuri, Debangshu; Vijayaraghavan, Ratheesh K.","Ambient stable solution-processed organic field effect transistors from electron deficient planar aromatics: effect of end-groups on ambient stability","RSC Advances","2024","14","11","7915","7923","10.1039/D4RA01499E","","x-ray","1.54184","CuKα","","0.1054","0.0986","","","0.306","0.322","","","","","","1.456","","","","has coordinates,has disorder","290371","2024-03-07","02:17:46",""
"7248288","28.3208","0.0013","39.2416","0.0017","16.2646","0.0006","90","","90","","90","","18075.7","1.3","295","2","295","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C288 H248 Dy16 O160 -","- C288 H248 Dy16 O160 -","- C576 H496 Dy32 O320 -","2","0.125","","Liao, Ya-Qing; Xiong, Tian-Zheng; Xie, Kang-Le; Zhang, Huan; Hu, Jun-Jie; Wen, He-Rui","Two multifunctional Dy(iii)-based metal–organic frameworks exhibiting proton conduction, magnetic properties and second-harmonic generation","CrystEngComm","2024","26","14","2033","2042","10.1039/D4CE00065J","","","0.71073","MoKα","","0.0288","0.0259","","","0.0665","0.0684","","","","","","1.058","","","","has coordinates,has disorder","290890","2024-04-04","23:07:44",""
"7248289","10.0739","0.0005","10.1946","0.0005","12.6937","0.0006","76.507","0.001","86.196","0.002","71.856","0.001","1204.59","0.1","297","","297","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 Eu O13 -","- C24 H21 Eu O13 -","- C48 H42 Eu2 O26 -","2","1","","Liao, Ya-Qing; Xiong, Tian-Zheng; Xie, Kang-Le; Zhang, Huan; Hu, Jun-Jie; Wen, He-Rui","Two multifunctional Dy(iii)-based metal–organic frameworks exhibiting proton conduction, magnetic properties and second-harmonic generation","CrystEngComm","2024","26","14","2033","2042","10.1039/D4CE00065J","","","0.71073","MoKα","","0.0653","0.0409","","","0.0596","0.0656","","","","","","1.073","","","","has coordinates","290890","2024-04-04","23:07:44",""
"7248290","12.8165","0.0002","31.2237","0.0006","16.4633","0.0003","90","","102.225","0.001","90","","6438.9","0.2","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","CN-PAI-InCz","","- C86 H66 N8 O -","- C86 H66 N8 O -","- C344 H264 N32 O4 -","4","1","","Godi, Mahendra; Kwon, Hyukmin; Park, Sangwook; Park, Sunwoo; Lee, Hayoon; Lee, Kiho; Park, Jongwook","Enhancing OLED emitter efficiency through increased rigidity","RSC Advances","2024","14","12","8135","8144","10.1039/D3RA07937F","","","0.71073","MoKα","","0.0716","0.0468","","","0.1028","0.1147","","","","","","1.02","","","","has coordinates","290420","2024-03-09","02:22:12",""
"7248291","7.455","0.003","7.934","0.003","8.27","0.003","85.443","0.012","76.787","0.011","74.123","0.011","458","0.3","170","","170","","","","","","","","","4","P -1","-P 1","2","","1,2,4,5-Tetracyanobenzene-2-Bromofluorene","","- C23 H11 Br N4 -","- C23 H11 Br N4 -","- C23 H11 Br N4 -","1","0.5","","Yao, Wenxiu; Wu, Pengfei; Xie, Yidan; Shen, Xinyu; Xia, Shuwei; Yu, Liangmin","Synthesis and photophysical properties of charge transfer cocrystals based on TCNB and fluorene and its derivatives","CrystEngComm","2024","26","16","2155","2165","10.1039/D3CE01208E","","","0.71073","MoKα","","0.1273","0.0927","","","0.1887","0.2044","","","","","","1.093","","","","has coordinates,has disorder","291596","2024-05-05","02:17:28",""
"7248292","7.1852","0.0005","7.8039","0.0006","7.9484","0.0006","73.766","0.003","83.955","0.002","88.769","0.003","425.52","0.05","170","","170","","","","","","","","","3","P -1","-P 1","2","","1,2,4,5-Tetracyanobenzene-Fluorene","","- C23 H12 N4 -","- C23 H12 N4 -","- C23 H12 N4 -","1","0.5","","Yao, Wenxiu; Wu, Pengfei; Xie, Yidan; Shen, Xinyu; Xia, Shuwei; Yu, Liangmin","Synthesis and photophysical properties of charge transfer cocrystals based on TCNB and fluorene and its derivatives","CrystEngComm","2024","26","16","2155","2165","10.1039/D3CE01208E","","","0.71073","MoKα","","0.068","0.0471","","","0.1153","0.1325","","","","","","1.058","","","","has coordinates,has disorder","291596","2024-05-05","02:17:34",""
"7248293","8.0699","0.0019","9.282","0.002","12.323","0.003","79.161","0.008","78.504","0.009","84.709","0.008","887","0.4","160","","160","","","","","","","","","4","P -1","-P 1","2","","1,2,4,5-Tetracyanobenzene-2-Bromocarbazole","","- C22 H10 Br N5 -","- C22 H10 Br N5 -","- C44 H20 Br2 N10 -","2","1","","Yao, Wenxiu; Wu, Pengfei; Xie, Yidan; Shen, Xinyu; Xia, Shuwei; Yu, Liangmin","Synthesis and photophysical properties of charge transfer cocrystals based on TCNB and fluorene and its derivatives","CrystEngComm","2024","26","16","2155","2165","10.1039/D3CE01208E","","","0.71073","MoKα","","0.0634","0.0444","","","0.0933","0.1025","","","","","","1.034","","","","has coordinates","291596","2024-05-05","02:17:34",""
"7248294","7.03","0.0005","7.8302","0.0006","7.8567","0.0007","73.722","0.003","88.51","0.003","84.102","0.003","412.95","0.06","100","","100","","","","","","","","","3","P -1","-P 1","2","","1,2,4,5-Tetracyanobenzene-Carbazole","","- C22 H11 N5 -","- C22 H11 N5 -","- C22 H11 N5 -","1","0.5","","Yao, Wenxiu; Wu, Pengfei; Xie, Yidan; Shen, Xinyu; Xia, Shuwei; Yu, Liangmin","Synthesis and photophysical properties of charge transfer cocrystals based on TCNB and fluorene and its derivatives","CrystEngComm","2024","26","16","2155","2165","10.1039/D3CE01208E","","","0.71073","MoKα","","0.0905","0.0646","","","0.1525","0.1677","","","","","","1.123","","","","has coordinates,has disorder","291596","2024-05-05","02:17:34",""
"7248295","21.402","0.0014","12.5878","0.0008","18.9598","0.0013","90","","123.154","0.003","90","","4276.3","0.5","101","2","101","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C22 H21 Cl N4 O Ru S -","- C22 H21 Cl N4 O Ru S -","- C176 H168 Cl8 N32 O8 Ru8 S8 -","8","2","","Tsaulwayo, Nokwanda; Omondi, Reinner O.; Vijayan, Paranthaman; Sibuyi, Nicole R. S.; Meyer, Miché D.; Meyer, Mervin; Ojwach, Stephen O.","Heterocyclic (pyrazine)carboxamide Ru(ii) complexes: structural, experimental and theoretical studies of interactions with biomolecules and cytotoxicity","RSC Advances","2024","14","12","8322","8330","10.1039/D4RA00525B","","","0.71073","MoKα","","0.05","0.0476","","","0.1248","0.1265","","","","","","1.069","","","","has coordinates","290440","2024-03-12","02:20:46",""
"7248296","17.9377","0.0011","21.9449","0.0014","25.6202","0.0016","90","","106.696","0.002","90","","9660","1.1","273","2","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C96 H72 Cd N24 O20 -","- C96 H72 Cd N24 O20 -","- C384 H288 Cd4 N96 O80 -","4","0.5","","Shi, Lulu; Wang, Lin; Li, Mingchun; Liu, Mei","A cucurbit[8]uril based supramolecular assembly and its potential applications for the removal of dye and antibiotic from an aqueous medium","RSC Advances","2024","14","12","8161","8166","10.1039/D4RA00347K","","","0.71073","MoKα","","0.0388","0.0354","","","0.0855","0.0915","","","","","","1.112","","","","has coordinates","290441","2024-03-12","02:21:47",""
"7248297","8.867","0.0001","7.143","0.0001","22.2918","0.0003","90","","90.537","0.001","90","","1411.83","0.03","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N5 -","- C15 H19 N5 -","- C60 H76 N20 -","4","1","","Bin Shahari, Muhammad Syafiq; Junaid, Ahmad; Tiekink, Edward R. T.; Dolzhenko, Anton V.","6-Aryl-4-cycloamino-1,3,5-triazine-2-amines: synthesis, antileukemic activity, and 3D-QSAR modelling","RSC Advances","2024","14","12","8264","8282","10.1039/D3RA08091A","","","1.54184","CuKα","","0.0397","0.0381","","","0.1033","0.1051","","","","","","1.055","","","","has coordinates","290442","2024-03-12","02:22:02",""
"7248298","9.1124","0.0003","11.7634","0.0004","25.2509","0.0009","90","","92.117","0.003","90","","2704.87","0.16","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 Cl F N4 O6 -","- C29 H29 Cl F N4 O6 -","- C116 H116 Cl4 F4 N16 O24 -","4","1","","Zou, Yao; Meng, Xin; Zhang, Baoxi; Yu, Hongmei; He, Guorong; Gong, Ningbo; Lu, Yang; Du, Guanhua","Gefitinib salts/cocrystals with phenolic acids as a promising solid-state approach to improve solubility","CrystEngComm","2024","26","15","2112","2122","10.1039/D4CE00039K","","","1.54184","CuKα","","0.0453","0.044","","","0.1231","0.1254","","","","","","1.059","","","","has coordinates","291600","2024-05-05","02:21:39",""
"7248299","7.73274","0.00005","12.20698","0.0001","14.35665","0.00012","65.3898","0.0008","84.3011","0.0006","89.307","0.0006","1225.34","0.018","100","0.1","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C25.5 H27 Cl F N4 O4.5 -","- C25.5 H27 Cl F N4 O4.5 -","- C51 H54 Cl2 F2 N8 O9 -","2","1","","Zou, Yao; Meng, Xin; Zhang, Baoxi; Yu, Hongmei; He, Guorong; Gong, Ningbo; Lu, Yang; Du, Guanhua","Gefitinib salts/cocrystals with phenolic acids as a promising solid-state approach to improve solubility","CrystEngComm","2024","26","15","2112","2122","10.1039/D4CE00039K","","","1.54184","CuKα","","0.0389","0.0386","","","0.09","0.0901","","","","","","1.022","","","","has coordinates,has disorder","291600","2024-05-05","02:21:44",""
"7248300","10.83646","0.00005","26.10472","0.0001","10.91005","0.00005","90","","99.937","0.0004","90","","3039.97","0.02","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 Cl F N4 O7 -","- C32 H34 Cl F N4 O7 -","- C128 H136 Cl4 F4 N16 O28 -","4","1","","Zou, Yao; Meng, Xin; Zhang, Baoxi; Yu, Hongmei; He, Guorong; Gong, Ningbo; Lu, Yang; Du, Guanhua","Gefitinib salts/cocrystals with phenolic acids as a promising solid-state approach to improve solubility","CrystEngComm","2024","26","15","2112","2122","10.1039/D4CE00039K","","","1.54184","CuKα","","0.0377","0.0363","","","0.101","0.1023","","","","","","1.039","","","","has coordinates","291600","2024-05-05","02:21:44",""
"7248301","7.3807","0.0001","22.4116","0.0002","23.002","0.0001","90","","95.195","0.001","90","","3789.21","0.06","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Cl F N8 O15 -","- C36 H32 Cl F N8 O15 -","- C144 H128 Cl4 F4 N32 O60 -","4","1","","Zou, Yao; Meng, Xin; Zhang, Baoxi; Yu, Hongmei; He, Guorong; Gong, Ningbo; Lu, Yang; Du, Guanhua","Gefitinib salts/cocrystals with phenolic acids as a promising solid-state approach to improve solubility","CrystEngComm","2024","26","15","2112","2122","10.1039/D4CE00039K","","","1.54184","CuKα","","0.0471","0.0415","","","0.1093","0.116","","","","","","1.05","","","","has coordinates","291600","2024-05-05","02:21:44",""
"7248302","14.4516","0.0001","18.0004","0.0001","26.7026","0.0002","90","","90","","90","","6946.27","0.08","301.92","0.14","301.92","0.14","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H72 Cl2 F2 N8 O18 -","- C72 H72 Cl2 F2 N8 O18 -","- C288 H288 Cl8 F8 N32 O72 -","4","1","","Zou, Yao; Meng, Xin; Zhang, Baoxi; Yu, Hongmei; He, Guorong; Gong, Ningbo; Lu, Yang; Du, Guanhua","Gefitinib salts/cocrystals with phenolic acids as a promising solid-state approach to improve solubility","CrystEngComm","2024","26","15","2112","2122","10.1039/D4CE00039K","","x-ray","1.54184","CuKα","","0.0566","0.0518","","","0.1452","0.1499","","","","","","1.016","","","","has coordinates,has disorder","291600","2024-05-05","02:21:44",""
"7248303","13.8332","0.001","17.6483","0.0014","27.905","0.002","90","","99.303","0.004","90","","6722.9","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H47 Cl15 Cu2 N6 O8 -","- C57 H47 Cl15 Cu2 N6 O8 -","- C228 H188 Cl60 Cu8 N24 O32 -","4","1","","Marner, Michael; Kulhanek, Niclas; Eichberg, Johanna; Hardes, Kornelia; Dal-Molin, Michael; Rybniker, Jan; Kirchner, Michael; Schäberle, Till; Goettlich, Richard","Design, synthesis and antimycobacterial activity of Imidazo[1,5-a]quinolines and their Zinc-complexes","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00086B","","","0.71073","MoKα","","0.0935","0.0803","","","0.1841","0.1919","","","","","","1.156","","","","has coordinates,has disorder","290471","2024-03-13","01:12:27",""
"7248304","14.645","0.0018","20.687","0.003","15.733","0.002","90","","114.91","0.006","90","","4323.1","1","125","2","125","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C93 H72 Cl12 Fe4 N12 -","- C93 H72 Cl12 Fe4 N12 -","- C186 H144 Cl24 Fe8 N24 -","2","1","","Marner, Michael; Kulhanek, Niclas; Eichberg, Johanna; Hardes, Kornelia; Dal-Molin, Michael; Rybniker, Jan; Kirchner, Michael; Schäberle, Till; Goettlich, Richard","Design, synthesis and antimycobacterial activity of Imidazo[1,5-a]quinolines and their Zinc-complexes","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00086B","","","0.71073","MoKα","","0.0488","0.0457","","","0.1213","0.1234","","","","","","1.023","","","","has coordinates,has disorder","290471","2024-03-13","01:12:28",""
"7248305","11.4375","0.0011","12.7938","0.0011","17.4125","0.0014","72.831","0.003","71.099","0.003","79.124","0.004","2290.9","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H21 Cl2 N3 O S Zn -","- C24 H21 Cl2 N3 O S Zn -","- C96 H84 Cl8 N12 O4 S4 Zn4 -","4","2","","Marner, Michael; Kulhanek, Niclas; Eichberg, Johanna; Hardes, Kornelia; Dal-Molin, Michael; Rybniker, Jan; Kirchner, Michael; Schäberle, Till; Goettlich, Richard","Design, synthesis and antimycobacterial activity of Imidazo[1,5-a]quinolines and their Zinc-complexes","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00086B","","","0.71073","MoKα","","0.0472","0.0352","","","0.0851","0.0926","","","","","","1.035","","","","has coordinates","290471","2024-03-13","01:12:28",""
"7248306","19.7972","0.0005","5.6454","0.0002","19.9238","0.0005","90","","116.7","0.001","90","","1989.31","0.1","100","1","100","1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C12 H16 O2 -","- C12 H16 O2 -","- C96 H128 O16 -","8","2","","Dupont, Jennifer; Hartwig, Beppo; Le Barbu-Debus, Katia; Lepere, Valeria; Guillot, Regis; Suhm, Martin A.; Zehnacker, Anne","Homochiral <i>vs.</i> heterochiral preference in chiral self-recognition of cyclic diols.","Physical chemistry chemical physics : PCCP","2024","26","14","10610","10621","10.1039/d4cp00351a","","x-ray","1.54178","CuKα","","0.0307","0.0278","","","0.0656","0.0669","","","","","","1.04","","","","has coordinates","291065","2024-04-05","00:17:06",""
"7248307","9.0389","0.0011","9.0389","0.0011","14.437","0.003","90","","90","","120","","1021.5","0.3","293","2","293","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C6 H24 Ag2 Co I4 N6 -","- C6 H24 Ag2 Co I4 N6 -","- C12 H48 Ag4 Co2 I8 N12 -","2","0.166667","","Gao, Yan; Yang, Xiao; Ren, Taohong; Jia, Dingxian","Facile syntheses, structures and photocatalytic properties of 3D iodoargentate frameworks derived from TM-flexible-amino-ligand templates","CrystEngComm","2024","26","16","2172","2179","10.1039/D4CE00247D","","","0.71073","MoKα","","0.0252","0.024","","","0.0545","0.0551","","","","","","1.273","","","","has coordinates","291593","2024-05-05","02:14:58",""
"7248308","9.0851","0.0011","9.0851","0.0011","14.411","0.003","90","","90","","120","","1030.1","0.3","293","2","293","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C6 H24 Ag2 Fe I4 N6 -","- C6 H24 Ag2 Fe I4 N6 -","- C12 H48 Ag4 Fe2 I8 N12 -","2","0.166667","","Gao, Yan; Yang, Xiao; Ren, Taohong; Jia, Dingxian","Facile syntheses, structures and photocatalytic properties of 3D iodoargentate frameworks derived from TM-flexible-amino-ligand templates","CrystEngComm","2024","26","16","2172","2179","10.1039/D4CE00247D","","","0.71073","MoKα","","0.0299","0.0235","","","0.0478","0.0501","","","","","","1.122","","","","has coordinates","291593","2024-05-05","02:15:03",""
"7248309","21.681","0.004","21.681","0.004","9.2216","0.0019","90","","90","","90","","4334.8","1.4","293","2","293","2","","","","","","","","7","I 41/a m d :2","-I 4bd 2","141","","","","- C8 H28 Ag2 Co I4 N6 O -","- C8 H8 Ag2 Co I4 N6 O -","- C32 H32 Ag8 Co4 I16 N24 O4 -","4","0.125","","Gao, Yan; Yang, Xiao; Ren, Taohong; Jia, Dingxian","Facile syntheses, structures and photocatalytic properties of 3D iodoargentate frameworks derived from TM-flexible-amino-ligand templates","CrystEngComm","2024","26","16","2172","2179","10.1039/D4CE00247D","","","0.7107","MoKα","","0.0685","0.043","","","0.0938","0.1053","","","","","","1.085","","","","has coordinates","291593","2024-05-05","02:15:03",""
"7248310","7.1123","0.0002","12.6881","0.0003","13.3199","0.0003","88.7065","0.0017","87.275","0.002","82.989","0.002","1191.5","0.05","100","0.11","100","0.11","","","","","","","","5","P -1","-P 1","2","","Niraparib tosylate monohydrate","","- C26 H30 N4 O5 S -","- C26 H30 N4 O5 S -","- C52 H60 N8 O10 S2 -","2","1","","Mudda, Ramesh Reddy; Devarapalli, Ramesh; Das, Arijit; Reddy Lakkireddy, Pulla; Reddy, C. Malla; Chennuru, Ramanaiah","A zwitterionic salt–cocrystal: in vitro insights from niraparib tosylate, an anti-cancer drug","CrystEngComm","2024","26","19","2463","2473","10.1039/D4CE00114A","","x-ray","1.54184","CuKα","","0.0955","0.0921","","","0.1954","0.1971","","","","","","1.109","","","","has coordinates,has disorder","292960","2024-07-05","15:27:08",""
"7248311","5.9287","0.0001","22.876","0.0004","10.8603","0.0002","90","","97.155","0.002","90","","1461.46","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","Niraparib tosylate L-proline","","- C31 H37 N5 O6 S -","- C31 H37 N5 O6 S -","- C62 H74 N10 O12 S2 -","2","1","","Mudda, Ramesh Reddy; Devarapalli, Ramesh; Das, Arijit; Reddy Lakkireddy, Pulla; Reddy, C. Malla; Chennuru, Ramanaiah","A zwitterionic salt–cocrystal: in vitro insights from niraparib tosylate, an anti-cancer drug","CrystEngComm","2024","26","19","2463","2473","10.1039/D4CE00114A","","x-ray","1.54184","CuKα","","0.0377","0.0354","","","0.092","0.0937","","","","","","1.05","","","","has coordinates","292960","2024-07-05","15:27:09",""
"7248312","5.337","0.0002","26.3849","0.0012","8.013","0.0003","90","","108.97","0.002","90","","1067.08","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H15 N O6 -","- C9 H15 N O6 -","- C36 H60 N4 O24 -","4","2","","Lin, Hung-Chien; Kidonakis, Marios; Kaniraj, J. P.; Kholomieiev, Ihor; Fridrich, Balint; Stuart, Marc C. A.; Minnaard, Adriaan J.","The synthesis of fructose-based surfactants.","Green chemistry : an international journal and green chemistry resource : GC","2024","26","8","4715","4722","10.1039/d4gc00399c","","","1.54178","CuKα","","0.041","0.0371","","","0.0806","0.0824","","","","","","1.051","","","","has coordinates","291660","2024-05-05","03:37:20",""
"7248313","22.8417","0.0004","5.94667","0.00013","10.39189","0.00016","90","","96.6449","0.0016","90","","1402.07","0.05","99.99","0.1","99.99","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C48 H96 O16 S4 -","- C48 H96 O16 S4 -","- C48 H96 O16 S4 -","1","0.25","","Soto-Suárez, Fátima M; Rojo-Portillo, Tania; Huerta, Eduardo H.; Aguilera-Cruz, Alejandro; Tapia-Bárcenas, Alberto; Contreras-Cruz, David Atahualpa; Toscano, Rubén A; Quiróz-García, Beatriz; Rojas-Aguilar, Aaron; Cortés-Guzmán, Fernando; Bacsa, John; Ramírez-Gualito, Karla; Barquera-Lozada, José Enrique; Cuevas, Gabriel","Stereoelectronic interactions are too weak to explain the molecular conformation in solid state of <i>cis</i>-2-<i>tert</i>-butyl-5-(<i>tert</i>-butylsulfonyl)-1,3-dioxane.","Physical chemistry chemical physics : PCCP","2024","26","13","10021","10028","10.1039/d3cp04914k","","x-ray","0.71073","MoKα","","0.0368","0.0238","","","0.0374","0.0405","","","","","","1.0177","","","","has coordinates","291064","2024-04-05","00:16:58",""
"7248314","13.32025","0.00013","13.32025","0.00013","31.8915","0.0006","90","","90","","90","","5658.48","0.13","297","2","297","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","R-Binol ; (R,R)-DADPE","(R)-(+)-1,1?-Bi(2-naphthol) ; (1R,2R)-N,N?-Dimethyl-1,2-diphenylethane-1,2-diamine","","- C34 H30 N2 O2 -","- C34 H30 N2 O2 -","- C272 H240 N16 O16 -","8","1","","de Meester, Joséphine; Shemchuk, Oleksii; Collard, Laurent; Wouters, Johan; Baillieux, Simon; Robeyns, Koen; Leyssens, Tom","Using the nature of the achiral solvent to orient chiral resolution","CrystEngComm","2024","26","15","2056","2059","10.1039/D4CE00124A","","","0.71073","MoKα","","0.0449","0.0394","","","0.1066","0.1101","","","","","","1.089","","","","has coordinates,has disorder","291599","2024-05-05","02:20:59",""
"7248315","23.5398","0.0017","23.5398","0.0017","15.3506","0.0009","90","","90","","90","","8506.1","1","150","2","150","2","","","","","","","","4","I 4 2 2","I 4 2","97","R-Binol (R,R)-DADPE benzene solvate","(R)-(+)-1,1?-Bi(2-naphthol) ; (1R,2R)-N,N?-Dimethyl-1,2-diphenylethane-1,2-diamine benzene solvate","","- C50.27 H46.27 N2 O2 -","- C50.32 H46.32 N2 O2 -","- C402.56 H370.56 N16 O16 -","8","0.5","","de Meester, Joséphine; Shemchuk, Oleksii; Collard, Laurent; Wouters, Johan; Baillieux, Simon; Robeyns, Koen; Leyssens, Tom","Using the nature of the achiral solvent to orient chiral resolution","CrystEngComm","2024","26","15","2056","2059","10.1039/D4CE00124A","","","0.71073","MoKα","","0.1477","0.1165","","","0.2486","0.2667","","","","","","1.248","","","","has coordinates,has disorder","291599","2024-05-05","02:21:02",""
"7248316","20.8238","0.0019","15.3516","0.0014","13.7001","0.0014","90","","90","","90","","4379.6","0.7","150","2","150","2","","","","","","","synthesis as described","6","C m c e","-C 2ac 2","64","","","","- C16 H20 Br4 Hg N2 O2 -","- C16 H20 Br4 Hg N2 O2 -","- C128 H160 Br32 Hg8 N16 O16 -","8","0.5","","Chkoundali, Souad; Garoui, Iheb; Trigui, Wala; Oueslati, Abderrazek","Crystal structure, Hirshfeld surface analysis, conduction mechanism and electrical modulus study of the new organic-inorganic compound [C<sub>8</sub>H<sub>10</sub>NO]<sub>2</sub>HgBr<sub>4</sub>.","RSC advances","2024","14","13","8971","8980","10.1039/d4ra00689e","","x-ray","0.71073","MoKα","","0.0168","0.015","","","0.0345","0.0352","","","","","","1.113","","","","has coordinates","290535","2024-03-19","03:00:53",""
"7248317","12.9756","0.0011","7.1286","0.0006","22.9309","0.0019","90","","90","","90","","2121.1","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H11 N O2 Se -","- C11 H11 N O2 Se -","- C88 H88 N8 O16 Se8 -","8","1","","Crocetti, Letizia; Catarzi, Francesca; Giovannoni, Maria Paola; Vergelli, Claudia; Bartolucci, Gianluca; Pallecchi, Marco; Paoli, Paola; Rossi, Patrizia; Lippi, Martina; Schepetkin, Igor A.; Quinn, Mark T.; Guerrini, Gabriella","Ebselen analogues with dual human neutrophil elastase (HNE) inhibitory and antiradical activity","RSC Medicinal Chemistry","2024","","","","","10.1039/D3MD00736G","","","1.54178","CuKα","","0.0461","0.0451","","","0.1271","0.1274","","","","","","1.139","","","","has coordinates","290540","2024-03-20","01:02:15",""
"7248318","11.0854","0.0002","12.6784","0.0002","15.9392","0.0003","90","","90","","90","","2240.18","0.07","100","2","100.01","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","5,7-difluoro-6-mercapto-1,1-dimethylbenzo[c][1,2,5]oxasilaborol-3(1H)-ol","","- C8 H10 B F O2 S Si -","- C8 H10 B F O2 S Si -","- C64 H80 B8 F8 O16 S8 Si8 -","8","1","","Nowicki, Krzysztof; Krajewska, Joanna; Stępniewski, Tomasz; Wielechowska, Monika; Wińska, Patrycja; Kaczmarczyk, Anna; Korpowska, Julia; Selent, Jana; Marek-Urban, Paulina H.; Durka, Krzysztof; Wozniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz","Exploiting thiol-functionalized benzosiloxaboroles for achieving diverse substitution patterns – synthesis, characterization and biological evaluation of promising antibacterial agents","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00061G","","x-ray","1.54184","CuKα","","0.0329","0.0304","","","0.0892","0.0905","","","","","","1.075","","","","has coordinates","290568","2024-03-21","00:58:26",""
"7248319","7.2662","0.0001","10.2301","0.0001","18.6721","0.0003","90","","90","","90","","1387.97","0.03","100","2","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,2-bis(4-bromo-2,6-difluorophenyl)disulfane","","- C12 H4 Br2 F4 S2 -","- C12 H4 Br2 F4 S2 -","- C48 H16 Br8 F16 S8 -","4","1","","Nowicki, Krzysztof; Krajewska, Joanna; Stępniewski, Tomasz; Wielechowska, Monika; Wińska, Patrycja; Kaczmarczyk, Anna; Korpowska, Julia; Selent, Jana; Marek-Urban, Paulina H.; Durka, Krzysztof; Wozniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz","Exploiting thiol-functionalized benzosiloxaboroles for achieving diverse substitution patterns – synthesis, characterization and biological evaluation of promising antibacterial agents","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00061G","","x-ray","1.54184","CuKα","","0.0126","0.0125","","","0.0315","0.0316","","","","","","1.12","","","","has coordinates","290568","2024-03-21","00:58:28",""
"7248320","14.4495","0.0002","7.5081","0.0001","13.634","0.0002","90","","90","","90","","1479.13","0.04","100","1","100","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","bis((4-bromo-2,6-difluorophenyl)thio)methane","","- C13 H6 Br2 F4 S2 -","- C13 H6 Br2 F4 S2 -","- C52 H24 Br8 F16 S8 -","4","0.5","","Nowicki, Krzysztof; Krajewska, Joanna; Stępniewski, Tomasz; Wielechowska, Monika; Wińska, Patrycja; Kaczmarczyk, Anna; Korpowska, Julia; Selent, Jana; Marek-Urban, Paulina H.; Durka, Krzysztof; Wozniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz","Exploiting thiol-functionalized benzosiloxaboroles for achieving diverse substitution patterns – synthesis, characterization and biological evaluation of promising antibacterial agents","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00061G","","x-ray","1.54184","CuKα","","0.0211","0.0209","","","0.0543","0.0544","","","","","","1.112","","","","has coordinates","290568","2024-03-21","00:58:28",""
"7248321","11.9609","0.0002","6.7922","0.0001","25.2398","0.0003","90","","102.88","0.001","90","","1998.91","0.05","100","2","100.01","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","3-((5,7-difluoro-3-hydroxy-1,1-dimethyl-1,3-dihydrobenzo[c][1,2,5]oxasilaborol-6-yl)thio)-1-(4-fluorophenyl)pyrrolidine-2,5-dione","","- C18 H15 B F3 N O4 S Si -","- C18 H15 B F3 N O4 S Si -","- C72 H60 B4 F12 N4 O16 S4 Si4 -","4","1","","Nowicki, Krzysztof; Krajewska, Joanna; Stępniewski, Tomasz; Wielechowska, Monika; Wińska, Patrycja; Kaczmarczyk, Anna; Korpowska, Julia; Selent, Jana; Marek-Urban, Paulina H.; Durka, Krzysztof; Wozniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz","Exploiting thiol-functionalized benzosiloxaboroles for achieving diverse substitution patterns – synthesis, characterization and biological evaluation of promising antibacterial agents","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00061G","","x-ray","1.54184","CuKα","","0.0267","0.0252","","","0.0692","0.0707","","","","","","1.044","","","","has coordinates","290568","2024-03-21","00:58:29",""
"7248322","8.7169","0.0003","7.4368","0.0003","10.3692","0.0003","90","","103.038","0.003","90","","654.86","0.04","100","2","100.01","0.1","","","","","","","","8","P 1 m 1","P -2y","6","","3-((5,7-difluoro-3-hydroxy-1,1-dimethyl-1,3-dihydrobenzo[c][1,2,5]oxasilaborol-6-yl)thio)propanenitrile","","- C11 H12 B F2 N O2 S Si -","- C11 H12 B F2 N O2 S Si -","- C22 H24 B2 F4 N2 O4 S2 Si2 -","2","1","","Nowicki, Krzysztof; Krajewska, Joanna; Stępniewski, Tomasz; Wielechowska, Monika; Wińska, Patrycja; Kaczmarczyk, Anna; Korpowska, Julia; Selent, Jana; Marek-Urban, Paulina H.; Durka, Krzysztof; Wozniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz","Exploiting thiol-functionalized benzosiloxaboroles for achieving diverse substitution patterns – synthesis, characterization and biological evaluation of promising antibacterial agents","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00061G","","x-ray","1.54184","CuKα","","0.0497","0.0471","","","0.1168","0.1195","","","","","","1.082","","","","has coordinates","290568","2024-03-21","00:58:29",""
"7248323","26.9983","0.0014","8.387","0.0001","16.1371","0.0005","90","","119.051","0.005","90","","3194.3","0.3","100","2","100","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","3-((5,7-difluoro-3-hydroxy-1,1-dimethyl-1,3-dihydrobenzo[c][1,2,5]oxasilaborol-6-yl)thio)pyrrolidine-2,5-dione","","- C12 H14 B F2 N O5 S Si -","- C12 H14 B F2 N O5 S Si -","- C96 H112 B8 F16 N8 O40 S8 Si8 -","8","1","","Nowicki, Krzysztof; Krajewska, Joanna; Stępniewski, Tomasz; Wielechowska, Monika; Wińska, Patrycja; Kaczmarczyk, Anna; Korpowska, Julia; Selent, Jana; Marek-Urban, Paulina H.; Durka, Krzysztof; Wozniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz","Exploiting thiol-functionalized benzosiloxaboroles for achieving diverse substitution patterns – synthesis, characterization and biological evaluation of promising antibacterial agents","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00061G","","x-ray","1.54184","CuKα","","0.0298","0.0283","","","0.0745","0.0757","","","","","","1.04","","","","has coordinates","290568","2024-03-21","00:58:30",""
"7248324","12.2732","0.0003","10.004","0.0001","11.996","0.0003","90","","119.008","0.003","90","","1288.11","0.06","100","2","99.99","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 B Cl F2 O4 S Si -","- C8 H8 B Cl F2 O4 S Si -","- C32 H32 B4 Cl4 F8 O16 S4 Si4 -","4","1","","Nowicki, Krzysztof; Krajewska, Joanna; Stępniewski, Tomasz; Wielechowska, Monika; Wińska, Patrycja; Kaczmarczyk, Anna; Korpowska, Julia; Selent, Jana; Marek-Urban, Paulina H.; Durka, Krzysztof; Wozniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz","Exploiting thiol-functionalized benzosiloxaboroles for achieving diverse substitution patterns – synthesis, characterization and biological evaluation of promising antibacterial agents","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00061G","","x-ray","1.54184","CuKα","","0.0253","0.0238","","","0.0655","0.0668","","","","","","1.075","","","","has coordinates","290568","2024-03-21","00:58:30",""
"7248325","13.0595","0.0014","7.3061","0.0007","18.839","0.003","90","","91.507","0.016","90","","1796.9","0.4","100","2","100","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","S-(5,7-difluoro-3-hydroxy-1,1-dimethyl-1,3-dihydrobenzo[c][1,2,5]oxasilaborol-6-yl) O,O-diethyl phosphorothioate","","- C12 H18 B F2 O5 P S Si -","- C12 H18 B F2 O5 P S Si -","- C48 H72 B4 F8 O20 P4 S4 Si4 -","4","1","","Nowicki, Krzysztof; Krajewska, Joanna; Stępniewski, Tomasz; Wielechowska, Monika; Wińska, Patrycja; Kaczmarczyk, Anna; Korpowska, Julia; Selent, Jana; Marek-Urban, Paulina H.; Durka, Krzysztof; Wozniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz","Exploiting thiol-functionalized benzosiloxaboroles for achieving diverse substitution patterns – synthesis, characterization and biological evaluation of promising antibacterial agents","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00061G","","x-ray","1.54184","CuKα","","0.06","0.0483","","","0.1227","0.1354","","","","","","1.019","","","","has coordinates","290568","2024-03-21","00:58:30",""
"7248326","8.6314","0.0004","10.5815","0.0004","20.2719","0.001","80.173","0.004","80.3","0.004","82.873","0.004","1789.57","0.14","100","2","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","3-((5,7-difluoro-3-hydroxy-1,1-dimethyl-1,3-dihydrobenzo[c][1,2,5]oxasilaborol-6-yl)thio)-N-(5-methylisoxazol-3-yl)propanamide","","- C15 H17 B F2 N2 O4 S Si -","- C15 H17 B F2 N2 O4 S Si -","- C60 H68 B4 F8 N8 O16 S4 Si4 -","4","2","","Nowicki, Krzysztof; Krajewska, Joanna; Stępniewski, Tomasz; Wielechowska, Monika; Wińska, Patrycja; Kaczmarczyk, Anna; Korpowska, Julia; Selent, Jana; Marek-Urban, Paulina H.; Durka, Krzysztof; Wozniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz","Exploiting thiol-functionalized benzosiloxaboroles for achieving diverse substitution patterns – synthesis, characterization and biological evaluation of promising antibacterial agents","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00061G","","x-ray","1.54184","CuKα","","0.0578","0.0459","","","0.1163","0.1243","","","","","","1.057","","","","has coordinates","290568","2024-03-21","00:58:31",""
"7248327","6.8604","0.0004","9.1623","0.0004","11.9467","0.0005","101.758","0.004","103.715","0.004","105.684","0.004","672.94","0.06","100","2","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C11 H14 B F O3 S Si -","- C11 H14 B F O3 S Si -","- C22 H28 B2 F2 O6 S2 Si2 -","2","1","","Nowicki, Krzysztof; Krajewska, Joanna; Stępniewski, Tomasz; Wielechowska, Monika; Wińska, Patrycja; Kaczmarczyk, Anna; Korpowska, Julia; Selent, Jana; Marek-Urban, Paulina H.; Durka, Krzysztof; Wozniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz","Exploiting thiol-functionalized benzosiloxaboroles for achieving diverse substitution patterns – synthesis, characterization and biological evaluation of promising antibacterial agents","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00061G","","x-ray","1.54184","CuKα","","0.1137","0.1077","","","0.317","0.325","","","","","","1.451","","","","has coordinates","290568","2024-03-21","00:58:31",""
"7248328","6.526","0.0005","10.55","0.0005","13.1827","0.0007","101.774","0.004","90.259","0.005","106.776","0.006","848.76","0.09","100","2","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","7-fluoro-N-(4-fluorophenyl)-3-hydroxy-1,1-dimethyl-1,3-dihydrobenzo[c][1,2,5]oxasilaborole-6-sulfonamide","","- C14 H13 B F3 N O4 S Si -","- C14 H13 B F3 N O4 S Si -","- C28 H26 B2 F6 N2 O8 S2 Si2 -","2","1","","Nowicki, Krzysztof; Krajewska, Joanna; Stępniewski, Tomasz; Wielechowska, Monika; Wińska, Patrycja; Kaczmarczyk, Anna; Korpowska, Julia; Selent, Jana; Marek-Urban, Paulina H.; Durka, Krzysztof; Wozniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz","Exploiting thiol-functionalized benzosiloxaboroles for achieving diverse substitution patterns – synthesis, characterization and biological evaluation of promising antibacterial agents","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00061G","","x-ray","0.71073","MoKα","","0.0641","0.0451","","","0.0937","0.106","","","","","","1.014","","","","has coordinates","290568","2024-03-21","00:58:31",""
"7248329","11.9955","0.0004","6.7688","0.0002","24.8601","0.0007","90","","102.673","0.003","90","","1969.34","0.11","100","2","100","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","3-((7-fluoro-3-hydroxy-1,1-dimethyl-1,3-dihydrobenzo[c][1,2,5]oxasilaborol-6-yl)thio)-1-(4-fluorophenyl)pyrrolidine-2,5-dione","","- C18 H16 B F2 N O4 S Si -","- C18 H16 B F2 N O4 S Si -","- C72 H64 B4 F8 N4 O16 S4 Si4 -","4","1","","Nowicki, Krzysztof; Krajewska, Joanna; Stępniewski, Tomasz; Wielechowska, Monika; Wińska, Patrycja; Kaczmarczyk, Anna; Korpowska, Julia; Selent, Jana; Marek-Urban, Paulina H.; Durka, Krzysztof; Wozniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz","Exploiting thiol-functionalized benzosiloxaboroles for achieving diverse substitution patterns – synthesis, characterization and biological evaluation of promising antibacterial agents","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00061G","","x-ray","1.54184","CuKα","","0.0565","0.0374","","","0.0855","0.0948","","","","","","1","","","","has coordinates","290568","2024-03-21","00:58:31",""
"7248330","10.3865","0.0004","16.0059","0.0005","10.0154","0.0004","90","","113.281","0.004","90","","1529.44","0.11","100","2","100.01","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","7-fluoro-1,1-dimethyl-6-(morpholinosulfonyl)benzo[c][1,2,5]oxasilaborol-3(1H)-ol","","- C12 H16 B F2 N O5 S Si -","- C12 H16 B F2 N O5 S Si -","- C48 H64 B4 F8 N4 O20 S4 Si4 -","4","1","","Nowicki, Krzysztof; Krajewska, Joanna; Stępniewski, Tomasz; Wielechowska, Monika; Wińska, Patrycja; Kaczmarczyk, Anna; Korpowska, Julia; Selent, Jana; Marek-Urban, Paulina H.; Durka, Krzysztof; Wozniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz","Exploiting thiol-functionalized benzosiloxaboroles for achieving diverse substitution patterns – synthesis, characterization and biological evaluation of promising antibacterial agents","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00061G","","x-ray","1.54184","CuKα","","0.033","0.0308","","","0.0817","0.084","","","","","","1.07","","","","has coordinates","290568","2024-03-21","00:58:31",""
"7248331","9.4513","0.0004","9.8968","0.0004","12.2922","0.0006","91.269","0.004","112.587","0.004","118.044","0.004","907.49","0.09","100","2","100.01","0.13","","","","","","","","7","P -1","-P 1","2","","5,7-difluoro-1,1-dimethyl-6-((2-(phenylsulfonyl)ethyl)thio)benzo[c][1,2,5]oxasilaborol-3(1H)-ol","","- C16 H17 B F2 O4 S2 Si -","- C16 H17 B F2 O4 S2 Si -","- C32 H34 B2 F4 O8 S4 Si2 -","2","1","","Nowicki, Krzysztof; Krajewska, Joanna; Stępniewski, Tomasz; Wielechowska, Monika; Wińska, Patrycja; Kaczmarczyk, Anna; Korpowska, Julia; Selent, Jana; Marek-Urban, Paulina H.; Durka, Krzysztof; Wozniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz","Exploiting thiol-functionalized benzosiloxaboroles for achieving diverse substitution patterns – synthesis, characterization and biological evaluation of promising antibacterial agents","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00061G","","x-ray","1.54184","CuKα","","0.029","0.0273","","","0.0735","0.0769","","","","","","0.986","","","","has coordinates","290568","2024-03-21","00:58:31",""
"7248332","14.6984","0.0008","17.427","0.0008","19.6342","0.001","90","","90","","90","","5029.3","0.4","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C24 H28 Cl N3 O6 S -","- C24 H28 Cl N3 O6 S -","- C192 H224 Cl8 N24 O48 S8 -","8","2","","Parmar, Mehul P.; Vala, Disha P.; Bhalodiya, Savan S.; Upadhyay, Dipti B.; Patel, Chirag D.; Patel, Subham G.; Gandholi, Srinivasa R.; Shaik, Althaf H.; Miller, Amy Dunne; Nogales, Joaquina; Banerjee, Sourav; Padrón, José M; Amri, Nasser; Kandukuri, Nagesh Kumar; Patel, Hitendra M.","A green bio-organic catalyst (taurine) promoted one-pot synthesis of (<i>R</i>/<i>S</i>)-2-thioxo-3,4-dihydropyrimidine(TDHPM)-5-carboxanilides: chiral investigations using circular dichroism and validation by computational approaches.","RSC advances","2024","14","13","9300","9313","10.1039/d4ra01391c","","","0.71073","MoKα","","0.1428","0.0619","","","0.1158","0.1453","","","","","","1.078","","","","has coordinates","290573","2024-03-21","02:14:56",""
"7248333","11.9361","0.0003","7.3938","0.0002","14.4601","0.0004","90","","93.592","0.001","90","","1273.64","0.06","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(2,5-dihydroxyphenyl)-4-ethylpyridin-1-ium chloride water solvate","","- C13 H16 Cl N O3 -","- C13 H16 Cl N O3 -","- C52 H64 Cl4 N4 O12 -","4","1","","Zgheib, Ali; Acker, Sophie; Fischer, Maximilian Hans; Namyslo, Jan C.; Strube, Franziska; Rudolph, Martin; Fittschen, Ursula E. A.; Wollmann, Annett; Weber, Alfred P.; Nieger, Martin; Schmidt, Andreas","Lithium aluminate flotation by pH- and light-switchable collectors based on the natural product punicine","RSC Advances","2024","14","13","9353","9364","10.1039/D4RA00116H","","","0.71073","MoKα","","0.0315","0.0297","","","0.0811","0.0826","","","","","","1.052","","","","has coordinates","290574","2024-03-21","02:15:15",""
"7248334","12.3533","0.0004","27.6883","0.0008","21.444","0.0007","90","","90","","90","","7334.7","0.4","150","0.1","150","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C86 H72 N12 Zn2 -","- C86 H72 N12 Zn2 -","- C344 H288 N48 Zn8 -","4","0.5","","Chauhan, Pinky; Pushpanandan, Poornenth; Ravikanth, Mangalampalli","Synthesis, structure, and properties of helical bis-Zn(ii) complexes of hexapyrrolic ligands","CrystEngComm","2024","26","17","2259","2268","10.1039/D4CE00019F","","x-ray","0.71073","MoKα","","0.0879","0.0541","","","0.1256","0.1481","","","","","","1.021","","","","has coordinates","291590","2024-05-05","02:10:51",""
"7248335","5.71587","0.00008","16.8188","0.0003","20.0111","0.0003","90","","90.7375","0.0013","90","","1923.59","0.05","293.15","","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 Cl N2 O S -","- C22 H17 Cl N2 O S -","- C88 H68 Cl4 N8 O4 S4 -","4","1","","Yang, Beining; Wang, Yatang; Yang, Xiaojuan; Li, Yinyin; Zhang, Zhiying; Hua, Xiaofeng; Ouyang, Lu; Zheng, Lvyin; Guo, Wei","Visible-light-driven three-component annulation for the synthesis of highly functionalized 2-iminothiazolidin-4-ones without photocatalysts","Green Chemistry","2024","26","8","4477","4483","10.1039/D4GC00375F","","x-ray","1.54184","CuKα","","0.0704","0.0685","","","0.1857","0.1876","","","","","","1.008","","","","has coordinates","291661","2024-05-05","03:37:52",""
"7248336","9.6651","0.0006","10.0573","0.0007","18.1252","0.0012","83.474","0.002","89.157","0.002","70.718","0.002","1651.76","0.19","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N O2 -","- C21 H21 N O2 -","- C84 H84 N4 O8 -","4","2","","Nie, Guihua; Tu, Ting; Liao, Tianhui; Liu, Donghan; Ye, Wenjun; Ren, Shi-Chao","N-heterocyclic carbene and photocatalyst-catalyzed rapid access to indole ketones via radical C(sp3)–H acylation","Green Chemistry","2024","26","9","5397","5408","10.1039/D4GC00653D","","","1.34139","GaKα","","0.091","0.0723","","","0.1966","0.209","","","","","","1.081","","","","has coordinates,has disorder","293164","2024-07-05","17:23:57",""
"7248337","8.746","0.005","14.913","0.009","12.807","0.008","90","","96.41","0.02","90","","1660","1.7","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O2 -","- C21 H21 N O2 -","- C84 H84 N4 O8 -","4","1","","Nie, Guihua; Tu, Ting; Liao, Tianhui; Liu, Donghan; Ye, Wenjun; Ren, Shi-Chao","N-heterocyclic carbene and photocatalyst-catalyzed rapid access to indole ketones via radical C(sp3)–H acylation","Green Chemistry","2024","26","9","5397","5408","10.1039/D4GC00653D","","","1.34139","GaKα","","0.1063","0.0632","","","0.1548","0.1759","","","","","","1.061","","","","has coordinates","293164","2024-07-05","17:23:57",""
"7248338","9.9529","0.0005","15.6474","0.0006","10.0527","0.0005","90","","99.83","0.002","90","","1542.59","0.12","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C80 H76 N4 O8 -","4","1","","Nie, Guihua; Tu, Ting; Liao, Tianhui; Liu, Donghan; Ye, Wenjun; Ren, Shi-Chao","N-heterocyclic carbene and photocatalyst-catalyzed rapid access to indole ketones via radical C(sp3)–H acylation","Green Chemistry","2024","26","9","5397","5408","10.1039/D4GC00653D","","","0.71073","MoKα","","0.0895","0.0627","","","0.12","0.1335","","","","","","1.128","","","","has coordinates","293164","2024-07-05","17:23:57",""
"7248339","7.5716","0.0002","10.5701","0.0003","13.3435","0.0004","81.216","0.002","83.633","0.002","76.137","0.002","1021.57","0.05","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H17 F3 N2 O3 S -","- C23 H17 F3 N2 O3 S -","- C46 H34 F6 N4 O6 S2 -","2","1","","Kawakubo, Masato; Inoh, Yoshikazu; Murata, Yuki; Matsumura, Mio; Furuno, Tadahide; Yasuike, Shuji","Novel mono substituted pyridoimidazoisoquinoliniums via a silver-catalyzed intramolecular cyclization and their applications in cellular imaging","RSC Advances","2024","14","14","9758","9762","10.1039/D4RA01210K","","x-ray","1.54184","CuKα","","0.0382","0.0367","","","0.0971","0.0986","","","","","","1.07","","","","has coordinates","290625","2024-03-24","02:10:59",""
"7248340","11.2868","0.0011","11.2868","0.0011","27.13","0.002","90","","90","","120","","2993.1","0.5","288","2","288","","","","","","","","","5","P 65","P 65","170","","","","- C14 H26 N2 O5 S -","- C14 H26 N2 O5 S -","- C84 H156 N12 O30 S6 -","6","1","","Yamanaka, Kazuaki; Oketani, Ryusei; Mori, Yuya; Sato, Takashi; Tsuzuki, Seiji; Takahashi, Hiroki; Tsue, Hirohito","Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis","CrystEngComm","2024","26","17","2314","2321","10.1039/D3CE01018J","","","0.71073","MoKα","","0.2396","0.0859","","","0.1623","0.2175","","","","","","1.0392","","","","has coordinates","291591","2024-05-05","02:12:22",""
"7248341","11.239","0.004","11.239","0.004","27.0392","0.001","90","","90","","120","","2957.9","1.5","188","2","188.15","","","","","","","","","5","P 65","P 65","170","","","","- C14.25 H26 N2 O5.51 S -","- C14.254 H26 N2 O5.508 S -","- C85.524 H156 N12 O33.048 S6 -","6","1","","Yamanaka, Kazuaki; Oketani, Ryusei; Mori, Yuya; Sato, Takashi; Tsuzuki, Seiji; Takahashi, Hiroki; Tsue, Hirohito","Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis","CrystEngComm","2024","26","17","2314","2321","10.1039/D3CE01018J","","","0.71075","MoKα","","0.101","0.0525","","","0.1424","0.1886","","","","","","0.8487","","","","has coordinates,has disorder","291591","2024-05-05","02:12:28",""
"7248342","11.2333","0.0009","11.2333","0.0009","27.046","0.002","90","","90","","120","","2955.6","0.4","238","","238","","","","","","","","","5","P 65","P 65","170","","","","- C14 H26 N2 O5 S -","- C14 H26 N2 O5 S -","- C84 H156 N12 O30 S6 -","6","1","","Yamanaka, Kazuaki; Oketani, Ryusei; Mori, Yuya; Sato, Takashi; Tsuzuki, Seiji; Takahashi, Hiroki; Tsue, Hirohito","Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis","CrystEngComm","2024","26","17","2314","2321","10.1039/D3CE01018J","","x-ray","0.71073","MoKα","","0.2013","0.0815","","","0.1848","0.246","","","","","","0.9909","","","","has coordinates","291591","2024-05-05","02:12:28",""
"7248343","11.3887","0.0008","11.3887","0.0008","27.3424","0.0002","90","","90","","120","","3071.3","0.3","188","2","188.15","","","","","","","","","5","P 65","P 65","170","","","","- C16 H30 N2 O5 S -","- C16 H30 N2 O5 S -","- C96 H180 N12 O30 S6 -","6","1","","Yamanaka, Kazuaki; Oketani, Ryusei; Mori, Yuya; Sato, Takashi; Tsuzuki, Seiji; Takahashi, Hiroki; Tsue, Hirohito","Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis","CrystEngComm","2024","26","17","2314","2321","10.1039/D3CE01018J","","x-ray","0.71073","MoKα","","0.1359","0.0754","","","0.1414","0.1646","","","","","","1.0308","","","","has coordinates","291591","2024-05-05","02:12:28",""
"7248344","11.4929","0.0007","11.4929","0.0007","27.9288","0.0018","90","","90","","120","","3194.8","0.3","188","2","188.15","","","","","","","","","5","P 65","P 65","170","","","","- C17 H32 N2 O5 S -","- C17 H32 N2 O5 S -","- C102 H192 N12 O30 S6 -","6","1","","Yamanaka, Kazuaki; Oketani, Ryusei; Mori, Yuya; Sato, Takashi; Tsuzuki, Seiji; Takahashi, Hiroki; Tsue, Hirohito","Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis","CrystEngComm","2024","26","17","2314","2321","10.1039/D3CE01018J","","x-ray","0.71073","MoKα","","0.1203","0.0732","","","0.1499","0.17","","","","","","1.0291","","","","has coordinates","291591","2024-05-05","02:12:28",""
"7248345","11.1876","0.0008","11.1876","0.0008","26.9537","0.0018","90","","90","","120","","2921.6","0.4","188","2","188.15","","","","","","","","","5","P 65","P 65","170","","","","- C14 H26 N2 O5 S -","- C14 H26 N2 O5 S -","- C84 H156 N12 O30 S6 -","6","1","","Yamanaka, Kazuaki; Oketani, Ryusei; Mori, Yuya; Sato, Takashi; Tsuzuki, Seiji; Takahashi, Hiroki; Tsue, Hirohito","Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis","CrystEngComm","2024","26","17","2314","2321","10.1039/D3CE01018J","","x-ray","0.71073","MoKα","","0.1442","0.0774","","","0.1692","0.1984","","","","","","1.0289","","","","has coordinates","291591","2024-05-05","02:12:28",""
"7248346","11.663","0.0007","15.3457","0.0008","17.2204","0.001","73.515","0.002","81.274","0.003","82.823","0.003","2910.2","0.3","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H36 N4 O6 -","- C33 H36 N4 O6 -","- C132 H144 N16 O24 -","4","2","","Bracken, Matthew L.; Fernandes, Manuel A.; Mathura, Sadhna","Bilirubin and its crystal forms","CrystEngComm","2024","26","16","2136","2142","10.1039/D4CE00123K","","","0.71073","MoKα","","0.1243","0.0851","","","0.228","0.2681","","","","","","1.084","","","","has coordinates,has disorder","291594","2024-05-05","02:15:30",""
"7248347","11.8077","0.001","15.022","0.0012","19.3471","0.0017","98.973","0.003","104.421","0.003","111.029","0.003","2985.8","0.4","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H36 N4 O6 -","- C33 H36 N4 O6 -","- C132 H144 N16 O24 -","4","2","","Bracken, Matthew L.; Fernandes, Manuel A.; Mathura, Sadhna","Bilirubin and its crystal forms","CrystEngComm","2024","26","16","2136","2142","10.1039/D4CE00123K","","","0.71073","MoKα","","0.1867","0.0948","","","0.224","0.2974","","","","","","1.029","","","","has coordinates,has disorder","291594","2024-05-05","02:15:34",""
"7248348","22.7598","0.0007","26.3415","0.0009","31.6172","0.0011","94.269","0.002","93.768","0.001","90.135","0.001","18861.4","1.1","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C279 H346 N4 O54 Tb2 Ti13 -","- C279 H346 N4 O54 Tb2 Ti13 -","- C558 H692 N8 O108 Tb4 Ti26 -","2","1","","Wang, Yanyan; Xiong, Ying; Liao, Wuping","Solvent-polarity-controlled assembly of polynuclear titanium-calixarene complexes: constructing isolated {Ti7}, {Ti13}, {Ti24} and {Tb2Ti13} clusters","CrystEngComm","2024","26","17","2287","2296","10.1039/D3CE01275A","","","1.54178","CuKα","","0.1221","0.0894","","","0.2237","0.2565","","","","","","1.042","","","","has coordinates","291592","2024-05-05","02:14:04",""
"7248349","30.9135","0.0011","13.8627","0.0005","29.9394","0.0011","90","","114.261","0.001","90","","11697.2","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C96 H128 O24 Ti7 -","- C96 H128 O24 Ti7 -","- C384 H512 O96 Ti28 -","4","0.5","","Wang, Yanyan; Xiong, Ying; Liao, Wuping","Solvent-polarity-controlled assembly of polynuclear titanium-calixarene complexes: constructing isolated {Ti7}, {Ti13}, {Ti24} and {Tb2Ti13} clusters","CrystEngComm","2024","26","17","2287","2296","10.1039/D3CE01275A","","","1.54178","CuKα","","0.1122","0.069","","","0.1891","0.2142","","","","","","1.094","","","","has coordinates","291592","2024-05-05","02:14:11",""
"7248350","59.769","0.0016","25.6869","0.0006","37.7482","0.001","90","","112.768","0.002","90","","53438","2","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C185 H235 O42 Ti13 -","- C185 H235 O42 Ti13 -","- C1480 H1880 O336 Ti104 -","8","1","","Wang, Yanyan; Xiong, Ying; Liao, Wuping","Solvent-polarity-controlled assembly of polynuclear titanium-calixarene complexes: constructing isolated {Ti7}, {Ti13}, {Ti24} and {Tb2Ti13} clusters","CrystEngComm","2024","26","17","2287","2296","10.1039/D3CE01275A","","","1.54178","CuKα","","0.1415","0.0897","","","0.257","0.2885","","","","","","1.117","","","","has coordinates","291592","2024-05-05","02:14:23",""
"7248351","22.916","0.0006","23.1929","0.0006","25.3092","0.0006","111.59","0.001","108.549","0.001","96.595","0.001","11440.4","0.5","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C358 H430 N2 O72 Ti24 -","- C358 H430 N2 O72 Ti24 -","- C358 H430 N2 O72 Ti24 -","1","0.5","","Wang, Yanyan; Xiong, Ying; Liao, Wuping","Solvent-polarity-controlled assembly of polynuclear titanium-calixarene complexes: constructing isolated {Ti7}, {Ti13}, {Ti24} and {Tb2Ti13} clusters","CrystEngComm","2024","26","17","2287","2296","10.1039/D3CE01275A","","","1.54178","CuKα","","0.1073","0.0809","","","0.2205","0.2461","","","","","","1.094","","","","has coordinates","291592","2024-05-05","02:14:23",""
"7248352","9.522","0.0015","10.5289","0.0015","13.8101","0.0019","90","","104.454","0.002","90","","1340.7","0.3","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Cd N12 O8 -","- C22 H22 Cd N12 O8 -","- C44 H44 Cd2 N24 O16 -","2","0.5","","Xia, Ying-Gui; Lan, Xue; Wang, Jun; Liu, Xiao-Hong; Muddassir, Mohd.; Srivastava, Devyani; Kushwaha, Aparna; Kumar, Abhinav","A new Cd(ii)-based coordination polymer as a luminescent sensor and adsorbent for dichromate ions","CrystEngComm","2024","26","18","2353","2360","10.1039/D4CE00256C","","","0.71073","MoKα","","0.0603","0.0371","","","0.1053","0.1272","","","","","","0.838","","","","has coordinates","292974","2024-07-05","15:34:26",""
"7248353","23.125","0.002","10.9006","0.001","13.78","0.0014","90","","123.111","0.003","90","","2909.5","0.5","100","","100","","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","PdL13","","- C20 H36 F12 N8 P2 Pd -","- C20 H36 F12 N8 P2 Pd -","- C80 H144 F48 N32 P8 Pd4 -","4","0.5","","Büchele, Wolfgang R. E.; Schlachta, Tim P.; Gebendorfer, Andreas L.; Pamperin, Jenny; Richter, Leon F.; Sauer, Michael J.; Prokop, Aram; Kühn, Fritz E.","Synthesis, characterization, and biomedical evaluation of ethylene-bridged tetra-NHC Pd(ii), Pt(ii) and Au(iii) complexes, with apoptosis-inducing properties in cisplatin-resistant neuroblastoma cells","RSC Advances","2024","14","15","10244","10254","10.1039/D4RA01195C","","x-ray","0.71073","MoKα","","0.0334","0.0269","","","0.0544","0.0579","","","","","","1.072","","","","has coordinates,has disorder","290694","2024-03-28","02:27:01",""
"7248354","13.4513","0.0006","13.4513","0.0006","16.2016","0.0013","90","","90","","90","","2931.5","0.3","100","","100","","","","","","","","see text","6","P 4/n c c :2","-P 4a 2ac","130","","PdL15","","- C20 H24 F12 N8 P2 Pd -","- C20 H24 F12 N8 P2 Pd -","- C80 H96 F48 N32 P8 Pd4 -","4","0.25","","Büchele, Wolfgang R. E.; Schlachta, Tim P.; Gebendorfer, Andreas L.; Pamperin, Jenny; Richter, Leon F.; Sauer, Michael J.; Prokop, Aram; Kühn, Fritz E.","Synthesis, characterization, and biomedical evaluation of ethylene-bridged tetra-NHC Pd(ii), Pt(ii) and Au(iii) complexes, with apoptosis-inducing properties in cisplatin-resistant neuroblastoma cells","RSC Advances","2024","14","15","10244","10254","10.1039/D4RA01195C","","x-ray","0.71073","MoKα","","0.0342","0.0238","","","0.0524","0.0565","","","","","","1.074","","","","has coordinates","290694","2024-03-28","02:27:11",""
"7248355","23.0841","0.0018","10.8943","0.0008","13.7057","0.0011","90","","122.799","0.002","90","","2897.3","0.4","100","","100","","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","PtL13","","- C20 H36 F12 N8 P2 Pt -","- C20 H36 F12 N8 P2 Pt -","- C80 H144 F48 N32 P8 Pt4 -","4","0.5","","Büchele, Wolfgang R. E.; Schlachta, Tim P.; Gebendorfer, Andreas L.; Pamperin, Jenny; Richter, Leon F.; Sauer, Michael J.; Prokop, Aram; Kühn, Fritz E.","Synthesis, characterization, and biomedical evaluation of ethylene-bridged tetra-NHC Pd(ii), Pt(ii) and Au(iii) complexes, with apoptosis-inducing properties in cisplatin-resistant neuroblastoma cells","RSC Advances","2024","14","15","10244","10254","10.1039/D4RA01195C","","x-ray","0.71073","MoKα","","0.0161","0.0138","","","0.0293","0.0304","","","","","","1.167","","","","has coordinates,has disorder","290694","2024-03-28","02:27:12",""
"7248356","31.7839","0.0012","5.0577","0.0002","26.4285","0.0011","90","","90","","90","","4248.5","0.3","299","","299","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C25 H16 N2 O4 -","- C26 H20 N2 O5 -","- C208 H160 N16 O40 -","8","2","","Polo-Cuadrado, Efraín; Osorio, Edison; Acosta-Quiroga, Karen; Camargo-Ayala, Paola Andrea; Brito, Iván; Rodriguez, Jany; Alderete, Joel B.; Forero-Doria, Oscar; Blanco-Acuña, Edgard Fabián; Gutiérrez, Margarita","Nonlinear optical and spectroscopic properties, thermal analysis, and hemolytic capacity evaluation of quinoline-1,3-benzodioxole chalcone","RSC Advances","2024","14","15","10199","10208","10.1039/D4RA00820K","","","0.71073","MoKα","","0.0779","0.0558","","","0.1414","0.1607","","","","","","1.121","","","","has coordinates","290695","2024-03-28","02:27:34",""
"7248357","9.7815","0.0008","13.1368","0.0015","18.8649","0.0002","102.042","0.007","104.779","0.006","105.238","0.009","2160.5","0.4","293","","293","","","","","","","","","8","P -1","-P 1","2","","","","- C86 H72 Cl8 Cu2 I2 N2 O2 P4 -","- C86 H72 Cl8 Cu2 I2 N2 O2 P4 -","- C86 H72 Cl8 Cu2 I2 N2 O2 P4 -","1","0.5","","Mou, Wen-Long; Gao, Cheng-Jie; Li, Zi-Xi; Fan, Si-Jie; Hou, Chuan-Bin; Zhao, Jing-Tong; Zhang, Shuai; Li, Zhong-Feng; Han, Hong-Liang; Duan, Chun-Bo; Wang, Guo; Jin, Qiong-Hua","Synthesis and luminescent properties of three excellent yellow emissive Cu(i) complexes based on the diphosphine ligand and the diimine ligand","CrystEngComm","2024","26","17","2297","2305","10.1039/D4CE00206G","","x-ray","1.54184","CuKα","","0.045","0.0434","","","0.1249","0.1265","","","","","","1.079","","","","has coordinates","291589","2024-05-05","02:10:14",""
"7248358","9.6943","0.0001","13.0554","0.0001","18.6809","0.0002","101.251","0.001","104.377","0.001","105.007","0.001","2125.44","0.04","293","","293","","","","","","","","","8","P -1","-P 1","2","","","","- C86 H72 Br2 Cl8 Cu2 N2 O2 P4 -","- C86 H72 Br2 Cl8 Cu2 N2 O2 P4 -","- C86 H72 Br2 Cl8 Cu2 N2 O2 P4 -","1","0.5","","Mou, Wen-Long; Gao, Cheng-Jie; Li, Zi-Xi; Fan, Si-Jie; Hou, Chuan-Bin; Zhao, Jing-Tong; Zhang, Shuai; Li, Zhong-Feng; Han, Hong-Liang; Duan, Chun-Bo; Wang, Guo; Jin, Qiong-Hua","Synthesis and luminescent properties of three excellent yellow emissive Cu(i) complexes based on the diphosphine ligand and the diimine ligand","CrystEngComm","2024","26","17","2297","2305","10.1039/D4CE00206G","","x-ray","1.54184","CuKα","","0.0634","0.0603","","","0.1748","0.1779","","","","","","1.044","","","","has coordinates","291589","2024-05-05","02:10:17",""
"7248359","15.5297","0.0001","19.398","0.0002","15.0582","0.0001","90","","99.942","0.001","90","","4468.09","0.06","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H42 Cl3 Cu N2 O2 P2 -","- C48 H42 Cl3 Cu N2 O2 P2 -","- C192 H168 Cl12 Cu4 N8 O8 P8 -","4","1","","Mou, Wen-Long; Gao, Cheng-Jie; Li, Zi-Xi; Fan, Si-Jie; Hou, Chuan-Bin; Zhao, Jing-Tong; Zhang, Shuai; Li, Zhong-Feng; Han, Hong-Liang; Duan, Chun-Bo; Wang, Guo; Jin, Qiong-Hua","Synthesis and luminescent properties of three excellent yellow emissive Cu(i) complexes based on the diphosphine ligand and the diimine ligand","CrystEngComm","2024","26","17","2297","2305","10.1039/D4CE00206G","","x-ray","1.54184","CuKα","","0.0691","0.0622","","","0.196","0.204","","","","","","1.062","","","","has coordinates","291589","2024-05-05","02:10:17",""
"7248360","17.3863","0.0007","8.7024","0.0003","12.251","0.0005","90","","102.256","0.002","90","","1811.36","0.12","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N O3 P S -","- C19 H18 N O3 P S -","- C76 H72 N4 O12 P4 S4 -","4","1","","Jiang, Zeqi; Jiang, Shuangfei; Gao, Jin; Xia, Junmei; Yu, Hongwei; Ma, Lixin; Chen, Xi; Chen, Bo; Zhang, Xinghua; Zhu, Wenchao","Inorganic ligand-supported Mo oxide as a hydrogen atom transfer photocatalyst for direct C(sp2)–H phosphorylation","Green Chemistry","2024","26","9","5538","5545","10.1039/D4GC00589A","","","1.54178","CuKα","","0.042","0.037","","","0.0982","0.1023","","","","","","1.06","","","","has coordinates","293166","2024-07-05","17:24:14",""
"7248361","8.8226","0.0006","11.5942","0.0009","25.3522","0.0018","90","","90","","90","","2593.3","0.3","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C4.48 H2.88 B0.32 F0.64 N0.64 O0.32 S0.32 -","- C4.48 H2.88 B0.32 F0.64 N0.64 O0.32 S0.32 -","- C112 H72 B8 F16 N16 O8 S8 -","25","6.25","","Zheng, He; Li, Yan-Xue; Xiong, Wen-Chao; Wang, Xing-Cong; Gong, Shan-Shan; Pu, Shouzhi; Shi, Rongwei; Sun, Qi","Mechanistic insights into diversified photoluminescence behaviours of BF<sub>2</sub> complexes of <i>N</i>-benzoyl 2-aminobenzothiazoles.","Physical chemistry chemical physics : PCCP","2024","26","15","11611","11617","10.1039/d4cp00101j","","","0.71073","MoKα","","0.0401","0.0338","","","0.079","0.0821","","","","","","1.039","","","","has coordinates","291699","2024-05-05","04:11:28",""
"7248362","7.9897","0.0008","11.3528","0.0011","34.408","0.003","90","","89.989","0.002","90","","3121","0.5","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H14 B F2 N3 O S -","- C16.25 H14 B0.75 F2 N3 O S -","- C130 H112 B6 F16 N24 O8 S8 -","8","4","","Zheng, He; Li, Yan-Xue; Xiong, Wen-Chao; Wang, Xing-Cong; Gong, Shan-Shan; Pu, Shouzhi; Shi, Rongwei; Sun, Qi","Mechanistic insights into diversified photoluminescence behaviours of BF<sub>2</sub> complexes of <i>N</i>-benzoyl 2-aminobenzothiazoles.","Physical chemistry chemical physics : PCCP","2024","26","15","11611","11617","10.1039/d4cp00101j","","","0.71073","MoKα","","0.1473","0.0731","","","0.1594","0.1977","","","","","","1.018","","","","has coordinates","295862","2024-11-09","12:08:13",""
"7248363","7.157","0.001","15.248","0.0007","13.6954","0.0014","90","","105.109","0.001","90","","1442.9","0.3","296.15","","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 B F2 N2 O2 S -","- C15 H11 B F2 N2 O2 S -","- C60 H44 B4 F8 N8 O8 S4 -","4","1","","Zheng, He; Li, Yan-Xue; Xiong, Wen-Chao; Wang, Xing-Cong; Gong, Shan-Shan; Pu, Shouzhi; Shi, Rongwei; Sun, Qi","Mechanistic insights into diversified photoluminescence behaviours of BF<sub>2</sub> complexes of <i>N</i>-benzoyl 2-aminobenzothiazoles.","Physical chemistry chemical physics : PCCP","2024","26","15","11611","11617","10.1039/d4cp00101j","","","0.71073","MoKα","","0.1862","0.1677","","","0.3992","0.4063","","","","","","1.121","","","","has coordinates","291699","2024-05-05","04:11:41",""
"7248364","6.5671","0.001","7.2171","0.0011","14.364","0.002","85.588","0.004","81.019","0.004","83.178","0.004","666.5","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H9 F3 O2 S -","- C16 H9 F3 O2 S -","- C32 H18 F6 O4 S2 -","2","1","","Mukhtar, Asma; Hussain, Arif; Younas, Faiza; Yousuf, Sammer; Saeed, Muhammad","Facile synthesis of substituted 2-aroylbenzo[b]thiophen-3-ols to form novel triazole hybrids using click chemistry","RSC Advances","2024","14","15","10270","10279","10.1039/D4RA01146E","","","1.54178","CuKα","","0.0418","0.041","","","0.1305","0.1316","","","","","","1.275","","","","has coordinates","290709","2024-03-29","02:22:04",""
"7248365","11.33","0.005","15.692","0.007","25.45","0.011","90","","90","","90","","4525","3","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H19 Co N7 O9 -","- C20 H19 Co N7 O9 -","- C160 H152 Co8 N56 O72 -","8","1","","Sahoo, Subham; Patra, Rajesh; Sarma, Debajit","Coordinatively unsaturated 5-nitroisophthalate based cobalt(ii) coordination polymers: efficient catalytic CO2 fixation and Hantzsch condensation","CrystEngComm","2024","26","18","2421","2432","10.1039/D4CE00102H","","","0.71073","MoKα","","0.1293","0.1105","","","0.1952","0.2039","","","","","","1.4","","","","has coordinates","292976","2024-07-05","15:34:44",""
"7248366","9.076","0.0003","14.649","0.0005","16.6993","0.0006","90","","95.558","0.001","90","","2209.81","0.13","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Co N7 O7 -","- C20 H15 Co N7 O7 -","- C80 H60 Co4 N28 O28 -","4","1","","Sahoo, Subham; Patra, Rajesh; Sarma, Debajit","Coordinatively unsaturated 5-nitroisophthalate based cobalt(ii) coordination polymers: efficient catalytic CO2 fixation and Hantzsch condensation","CrystEngComm","2024","26","18","2421","2432","10.1039/D4CE00102H","","","0.71073","MoKα","","0.0927","0.0624","","","0.0908","0.1022","","","","","","1.186","","","","has coordinates","292976","2024-07-05","15:34:45",""
"7248367","13.7185","0.0018","7.2021","0.0009","8.8003","0.0012","90","","90","","90","","869.5","0.2","150","2","150","2","","","","","","","synthesis as described","4","P n m a","-P 2ac 2n","62","","","","- C8 H5 Br2 N -","- C8 H5 Br2 N -","- C32 H20 Br8 N4 -","4","0.5","","Kupietz, Kamil; Gomila, Rosa M.; Roisnel, Thierry; Frontera, Antonio; Gramage-Doria, Rafael","Shortening CN⋯Br–Csp3 halogen bonds via π-stacking","CrystEngComm","2024","26","16","2131","2135","10.1039/D4CE00307A","","x-ray","0.71073","MoKα","","0.0316","0.0238","","","0.0523","0.0563","","","","","","1.045","","","","has coordinates","291595","2024-05-05","02:16:07",""
"7248368","26.013","0.0002","26.013","0.0002","26.013","0.0002","90","","90","","90","","17602.4","0.2","150","","150","","","","","","","","","6","I a -3","-I 2b 2c 3","206","","","","- Fe H30 Mo12 Na3 O55.5 U -","- Fe Mo12 Na3 O55.5 U -","- Fe16 Mo192 Na48 O888 U16 -","16","0.333333","","Li, Ke; Liu, Yufeng; Yang, Guoping; Zheng, Zhijian; Lin, Xiaoling; Zhang, Zhibin; Li, Shujun; Liu, Yunhai; Wei, Yongge","Highly-stable Silverton-type UIV-containing polyoxomolybdate frameworks for the heterogeneous catalytic synthesis of quinazolinones","Green Chemistry","2024","26","11","6454","6460","10.1039/D4GC00877D","","","0.71073","MoKα","","0.0235","0.0218","","","0.0506","0.0513","","","","","","1.128","","","","has coordinates,has disorder","293169","2024-07-05","17:24:49",""
"7248369","19.0319","0.0003","19.0319","0.0003","11.446","0.0005","90","","90","","120","","3590.45","0.18","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- H29.2 Mo12 Na5.8 O55.5 U -","- Mo12 Na5.8 O55.5 U -","- Mo36 Na17.4 O166.5 U3 -","3","0.166667","","Li, Ke; Liu, Yufeng; Yang, Guoping; Zheng, Zhijian; Lin, Xiaoling; Zhang, Zhibin; Li, Shujun; Liu, Yunhai; Wei, Yongge","Highly-stable Silverton-type UIV-containing polyoxomolybdate frameworks for the heterogeneous catalytic synthesis of quinazolinones","Green Chemistry","2024","26","11","6454","6460","10.1039/D4GC00877D","","","0.71073","MoKα","","0.0215","0.0201","","","0.0487","0.0494","","","","","","1.093","","","","has coordinates,has disorder","293169","2024-07-05","17:24:49",""
"7248370","25.9609","0.0003","25.9609","0.0003","25.9609","0.0003","90","","90","","90","","17496.8","0.4","150","","150","","","","","","","","","6","I a -3","-I 2b 2c 3","206","","","","- Co H29.4 Mo12 Na3.6 O55.5 U -","- Co Mo12 Na3.6 O55.5 U -","- Co16 Mo192 Na57.6 O888 U16 -","16","0.333333","","Li, Ke; Liu, Yufeng; Yang, Guoping; Zheng, Zhijian; Lin, Xiaoling; Zhang, Zhibin; Li, Shujun; Liu, Yunhai; Wei, Yongge","Highly-stable Silverton-type UIV-containing polyoxomolybdate frameworks for the heterogeneous catalytic synthesis of quinazolinones","Green Chemistry","2024","26","11","6454","6460","10.1039/D4GC00877D","","","0.71073","MoKα","","0.0289","0.0235","","","0.053","0.0549","","","","","","1.131","","","","has coordinates,has disorder","293169","2024-07-05","17:24:49",""
"7248371","25.9532","0.0008","25.9532","0.0008","25.9532","0.0008","90","","90","","90","","17481.3","0.9","100","","100","","","","","","","","","6","I a -3","-I 2b 2c 3","206","","","","- H29.7 Mo12 Na3.3 Ni0.58 O55.5 U -","- Mo12 Na3.3 Ni0.576 O55.5 U -","- Mo192 Na52.8 Ni9.216 O888 U16 -","16","0.333333","","Li, Ke; Liu, Yufeng; Yang, Guoping; Zheng, Zhijian; Lin, Xiaoling; Zhang, Zhibin; Li, Shujun; Liu, Yunhai; Wei, Yongge","Highly-stable Silverton-type UIV-containing polyoxomolybdate frameworks for the heterogeneous catalytic synthesis of quinazolinones","Green Chemistry","2024","26","11","6454","6460","10.1039/D4GC00877D","","x-ray","0.71073","MoKα","","0.0249","0.0231","","","0.0599","0.0608","","","","","","1.126","","","","has coordinates,has disorder","293169","2024-07-05","17:24:49",""
"7248372","17.7833","0.0012","17.8696","0.0012","18.2588","0.0012","110.766","0.002","112.206","0.002","90.922","0.002","4946.9","0.6","170","","170","","","","","","","","","8","P -1","-P 1","2","","","","- C96 H64 Ag4 Br3.69 Cl8.62 P2 Pt S8 -","- C96 H64 Ag4 Br3.69 Cl8.62 P2 Pt S8 -","- C192 H128 Ag8 Br7.38 Cl17.24 P4 Pt2 S16 -","2","1","","Jiang, Kefan; Ma, Along; Li, Yuansheng; Wang, Jiawei; Yin, Zhengmao; Wang, Shuxin","Understanding the decomposition process of the Pt1Ag24(SPhCl2)18 nanocluster at the atomic level","RSC Advances","2024","14","15","10574","10579","10.1039/D4RA01274G","","","0.71073","MoKα","","0.1436","0.0994","","","0.2393","0.2635","","","","","","1.058","","","","has coordinates,has disorder","290745","2024-04-03","01:32:17",""
"7248373","32.937","","28.819","","28.779","","90","","93.52","","90","","27265.8","","120.15","","120.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C216 H134 Ag24 Br17.72 Cl4.56 P4 Pt S20 -","- C216 H134 Ag24 Br17.72 Cl4.56 P4 Pt S20 -","- C864 H536 Ag96 Br70.88 Cl18.24 P16 Pt4 S80 -","4","0.5","","Jiang, Kefan; Ma, Along; Li, Yuansheng; Wang, Jiawei; Yin, Zhengmao; Wang, Shuxin","Understanding the decomposition process of the Pt1Ag24(SPhCl2)18 nanocluster at the atomic level","RSC Advances","2024","14","15","10574","10579","10.1039/D4RA01274G","","","1.54186","CuKα","","0.0851","0.0561","","","0.1403","0.1526","","","","","","0.946","","","","has coordinates,has disorder","290745","2024-04-03","01:32:17",""
"7248374","26.638","","29.956","","31.053","","93.09","","90.67","","90.79","","24739","","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C184 H120.67 Ag24 Br12.49 Cl15.03 P2.67 Pt S20 -","- C184 H120.667 Ag24 Br12.4867 Cl15.0267 P2.66667 Pt S20 -","- C552 H362 Ag72 Br37.46 Cl45.08 P8 Pt3 S60 -","3","1.5","","Jiang, Kefan; Ma, Along; Li, Yuansheng; Wang, Jiawei; Yin, Zhengmao; Wang, Shuxin","Understanding the decomposition process of the Pt1Ag24(SPhCl2)18 nanocluster at the atomic level","RSC Advances","2024","14","15","10574","10579","10.1039/D4RA01274G","","x-ray","1.54186","CuKα","","0.0909","0.0607","","","0.165","0.185","","","","","","1.041","","","","has coordinates,has disorder","290745","2024-04-03","01:32:17",""
"7248375","10.0589","0.0002","14.2921","0.0003","15.1181","0.0003","90","","90","","90","","2173.42","0.08","99.8","0.7","99.8","0.7","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Compound 19","","- C25 H34 O5 -","- C25 H34 O5 -","- C100 H136 O20 -","4","1","","Ma, Chi Thanh; Huang, Tianqi; Yu, Jae Sik; Ly, Tu Loan; Vu Huynh, Kim Long; Kwon, Sung Won; Park, Jeong Hill; Yang, Hyun Ok","Sesquiterpenoids and hexanorcucurbitacin from Aquilaria malaccensis agarwood with anti-inflammatory effects by inhibiting the STAT1/AKT/MAPK/NLRP3 pathway","RSC Advances","2024","14","13","9391","9405","10.1039/D3RA08686K","","x-ray","1.54184","CuKα","","0.0382","0.0369","","","0.0976","0.0987","","","","","","1.067","","","","has coordinates","290746","2024-04-03","01:32:38",""
"7248376","6.7814","0.0004","10.688","0.0007","29.8384","0.0018","90","","94.276","0.003","90","","2156.7","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 N2 O -","- C26 H26 N2 O -","- C104 H104 N8 O4 -","4","1","","Shalaby, Mona A.; BinSabt, Mohammad H.; Rizk, Sameh A.; Fahim, Asmaa M.","Novel pyrazole and imidazolone compounds: synthesis, X-ray crystal structure with theoretical investigation of new pyrazole and imidazolone compounds anticipated insecticide’s activities against targeting Plodia interpunctella and nilaparvata lugens","RSC Advances","2024","14","15","10464","10480","10.1039/D4RA00602J","","","1.54178","CuKα","","0.0469","0.0398","","","0.1176","0.1251","","","","","","1.059","","","","has coordinates","290747","2024-04-03","01:32:51",""
"7248377","5.424","0.0008","10.6544","0.0014","11.243","0.007","90","","101.4","0.03","90","","636.9","0.4","120.1","0.2","120.1","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H3 Cl3 N4 O5 -","- C9 H3 Cl3 N4 O5 -","- C18 H6 Cl6 N8 O10 -","2","1","","Zhao, Binshan; Kuang, Baolong; Sun, Mou; Wang, Tingwei; Zhang, Chao; Xu, Meiqi; Li, Cong; Lu, Zujia; Zhang, Jian-guo","3-(3,5-Dinitrophenyl)-5-amino-1,2,4-oxadiazole: synthesis, structure and properties of a novel insensitive energetic material","CrystEngComm","2024","26","19","2491","2497","10.1039/D4CE00201F","","x-ray","0.71073","MoKα","","0.0463","0.0402","","","0.0687","0.0732","","","","","","0.998","","","","has coordinates","292958","2024-07-05","15:25:10",""
"7248378","6.8806","0.0004","14.1354","0.0008","10.3877","0.0005","90","","103.677","0.005","90","","981.66","0.09","116.7","0.9","116.7","0.9","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 N5 O5 -","- C8 H5 N5 O5 -","- C32 H20 N20 O20 -","4","1","","Zhao, Binshan; Kuang, Baolong; Sun, Mou; Wang, Tingwei; Zhang, Chao; Xu, Meiqi; Li, Cong; Lu, Zujia; Zhang, Jian-guo","3-(3,5-Dinitrophenyl)-5-amino-1,2,4-oxadiazole: synthesis, structure and properties of a novel insensitive energetic material","CrystEngComm","2024","26","19","2491","2497","10.1039/D4CE00201F","","x-ray","0.71073","MoKα","","0.0732","0.0476","","","0.0986","0.1161","","","","","","1.046","","","","has coordinates","292958","2024-07-05","15:25:10",""
"7248379","9.8515","0.0002","18.7974","0.0004","7.0544","0.0001","90","","98.203","0.002","90","","1292.99","0.04","100","0.11","100","0.11","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Br7 Cs Nb3 S -","- Br7 Cs Nb3 S -","- Br28 Cs4 Nb12 S4 -","4","1","","Grahlow, Fabian; Strauß, Fabian; Scheele, Marcus; Ströbele, Markus; Carta, Alberto; Weber, Sophie F.; Kroeker, Scott; Romao, Carl P.; Meyer, H-Jürgen","Electronic structure and transport in the potential Luttinger liquids CsNb<sub>3</sub>Br<sub>7</sub>S and RbNb<sub>3</sub>Br<sub>7</sub>S.","Physical chemistry chemical physics : PCCP","2024","26","15","11789","11797","10.1039/d4cp00293h","","x-ray","1.54184","CuKα","","0.0276","0.0267","","","0.0714","0.0718","","","","","","1.044","","","","has coordinates","291701","2024-05-05","04:12:46",""
"7248380","7.0218","0.0007","9.8353","0.0015","18.445","0.003","90","","90","","90","","1273.8","0.3","100","0.14","100","0.14","","","","","","","","4","P m c 21","P 2c -2","26","","","","- Br7 Nb3 Rb S -","- Br7 Nb3 Rb S -","- Br28 Nb12 Rb4 S4 -","4","1","","Grahlow, Fabian; Strauß, Fabian; Scheele, Marcus; Ströbele, Markus; Carta, Alberto; Weber, Sophie F.; Kroeker, Scott; Romao, Carl P.; Meyer, H-Jürgen","Electronic structure and transport in the potential Luttinger liquids CsNb<sub>3</sub>Br<sub>7</sub>S and RbNb<sub>3</sub>Br<sub>7</sub>S.","Physical chemistry chemical physics : PCCP","2024","26","15","11789","11797","10.1039/d4cp00293h","","x-ray","0.71073","MoKα","","0.0587","0.054","","","0.1228","0.126","","","","","","1.006","","","","has coordinates","291701","2024-05-05","04:12:52",""
"7248381","10.2939","0.0004","9.7381","0.0004","25.5602","0.0011","90","","91.73","0.002","90","","2561.06","0.18","170","","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 F2 N O6 S -","- C27 H21 F2 N O6 S -","- C108 H84 F8 N4 O24 S4 -","4","1","","Sun, Jie; Wang, Chaodong; Wu, Chunlei; Wang, Wenjian; Zeng, Yue; Song, Shengjie; Chen, Zhiwei; Li, Jianjun","Photocatalyst-free H2O-regulated and regiodivergent multicomponent hydrogenation/bifunctional sulfonylation of alkynes","Green Chemistry","2024","26","6","3301","3307","10.1039/D3GC04960D","","","0.71073","MoKα","","0.0662","0.0446","","","0.1016","0.1122","","","","","","1.0574","","","","has coordinates,has disorder","290785","2024-04-04","08:34:19",""
"7248382","6.3919","0.0004","10.6731","0.0006","18.7577","0.0011","73.689","0.002","87.428","0.002","75.023","0.002","1185.92","0.12","170","","170","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H20 Cl F2 N O5 S -","- C26 H20 Cl F2 N O5 S -","- C52 H40 Cl2 F4 N2 O10 S2 -","2","1","","Sun, Jie; Wang, Chaodong; Wu, Chunlei; Wang, Wenjian; Zeng, Yue; Song, Shengjie; Chen, Zhiwei; Li, Jianjun","Photocatalyst-free H2O-regulated and regiodivergent multicomponent hydrogenation/bifunctional sulfonylation of alkynes","Green Chemistry","2024","26","6","3301","3307","10.1039/D3GC04960D","","","1.34139","GaKα","","0.0859","0.0798","","","0.219","0.2236","","","","","","1.125","","","","has coordinates","290785","2024-04-04","08:34:20",""
"7248383","23.8757","0.0006","23.8757","0.0006","17.6972","0.0005","90","","90","","120","","8736.7","0.4","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C33 H15 N9 O3 -","- C33 H15 N9 O3 -","- C396 H180 N108 O36 -","12","0.666667","","Kumar, Krishan; Karmakar, Anirban; Thakur, Diksha; Sharma, Dipanshu; Chen, Feng-Rong; Verma, Varsha; Nagar, Mangey Ram; Jou, Jwo-Huei; Banik, Subrata; Ghosh, Subrata","Self-assembled molecular network with waterwheel-like architecture: experimental and theoretical evaluation toward electron transport capabilities for optoelectronic devices.","Physical chemistry chemical physics : PCCP","2024","26","15","11922","11932","10.1039/d4cp00390j","","","1.54184","CuKα","","0.083","0.0682","","","0.1993","0.2149","","","","","","0.984","","","","has coordinates","291700","2024-05-05","04:12:13",""
"7248384","16.08","0.003","14.472","0.003","37.326","0.008","90","","100.611","0.008","90","","8538","3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C83 H62 K2 Mn2 N12 O20 -","- C83 H62 K2 Mn2 N12 O20 -","- C332 H248 K8 Mn8 N48 O80 -","4","0.5","","Mendoza-Báez, Raúl; Molina-Renteria, Alan; Olguín, Juan","Nitro group and K±based secondary building units for the self-assembly of 3D coordination polymers built on dinuclear dianionic helicate connectors","CrystEngComm","2024","26","18","2346","2352","10.1039/D4CE00255E","","","0.71073","MoKα","","0.1797","0.0737","","","0.1871","0.248","","","","","","1.026","","","","has coordinates,has disorder","292975","2024-07-05","15:34:37",""
"7248385","15.761","0.0011","14.5644","0.0009","36.558","0.003","90","","97.921","0.002","90","","8311.8","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C83 H57 K2 N13 Ni2 O18 -","- C83 H57 K2 N13 Ni2 O18 -","- C332 H228 K8 N52 Ni8 O72 -","4","0.5","","Mendoza-Báez, Raúl; Molina-Renteria, Alan; Olguín, Juan","Nitro group and K±based secondary building units for the self-assembly of 3D coordination polymers built on dinuclear dianionic helicate connectors","CrystEngComm","2024","26","18","2346","2352","10.1039/D4CE00255E","","","0.71073","MoKα","","0.1076","0.0642","","","0.1671","0.1879","","","","","","1.066","","","","has coordinates","292975","2024-07-05","15:34:37",""
"7248386","7.4377","0.0003","14.7657","0.0004","23.7592","0.0007","90","","93.154","0.003","90","","2605.35","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H26 N2 O3 S -","- C33 H26 N2 O3 S -","- C132 H104 N8 O12 S4 -","4","1","","Sehlangia, Suman; Dogra, Surbhi; Mondal, Prosenjit; Pradeep, Chullikkattil P.","New 8-hydroxy quinoline-polycyclic aromatic hydrocarbon (PAH) conjugates and their sulfonated derivatives: effects of sulfonation and PAH size on their structural, supramolecular and cytotoxic properties","CrystEngComm","2024","26","18","2361","2372","10.1039/D4CE00105B","","x-ray","1.54184","CuKα","","0.0513","0.0403","","","","0.119","","","","","","1.0803","","","","has coordinates","292973","2024-07-05","15:34:19",""
"7248387","8.0458","0.0005","13.1703","0.0009","14.8309","0.0013","74.204","0.007","74.975","0.006","86.981","0.005","1460.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H28 N2 O3 S -","- C39 H28 N2 O3 S -","- C78 H56 N4 O6 S2 -","2","1","","Sehlangia, Suman; Dogra, Surbhi; Mondal, Prosenjit; Pradeep, Chullikkattil P.","New 8-hydroxy quinoline-polycyclic aromatic hydrocarbon (PAH) conjugates and their sulfonated derivatives: effects of sulfonation and PAH size on their structural, supramolecular and cytotoxic properties","CrystEngComm","2024","26","18","2361","2372","10.1039/D4CE00105B","","x-ray","1.54184","CuKα","","0.074","0.0554","","","","0.136","","","","","","0.9788","","","","has coordinates","292973","2024-07-05","15:34:20",""
"7248388","15.948","0.0006","6.6074","0.0003","14.6479","0.0006","90","","90","","90","","1543.52","0.11","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H15 N O -","- C21 H15 N O -","- C84 H60 N4 O4 -","4","1","","Sehlangia, Suman; Dogra, Surbhi; Mondal, Prosenjit; Pradeep, Chullikkattil P.","New 8-hydroxy quinoline-polycyclic aromatic hydrocarbon (PAH) conjugates and their sulfonated derivatives: effects of sulfonation and PAH size on their structural, supramolecular and cytotoxic properties","CrystEngComm","2024","26","18","2361","2372","10.1039/D4CE00105B","","x-ray","0.71073","MoKα","","0.0623","0.048","","","0.107","0.1198","","","","","","1.0901","","","","has coordinates","292973","2024-07-05","15:34:20",""
"7248389","15.5838","0.0015","6.6875","0.0006","18.8389","0.0019","90","","107.494","0.011","90","","1872.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H17 N O -","- C27 H17 N O -","- C108 H68 N4 O4 -","4","1","","Sehlangia, Suman; Dogra, Surbhi; Mondal, Prosenjit; Pradeep, Chullikkattil P.","New 8-hydroxy quinoline-polycyclic aromatic hydrocarbon (PAH) conjugates and their sulfonated derivatives: effects of sulfonation and PAH size on their structural, supramolecular and cytotoxic properties","CrystEngComm","2024","26","18","2361","2372","10.1039/D4CE00105B","","x-ray","1.54184","CuKα","","0.0631","0.0432","","","0.1143","0.1357","","","","","","1.0493","","","","has coordinates","292973","2024-07-05","15:34:20",""
"7248390","10.5913","0.0007","11.8069","0.0007","12.2854","0.0007","103.279","0.005","103.085","0.005","96.474","0.005","1434.23","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H28 N2 O3 S -","- C37 H28 N2 O3 S -","- C74 H56 N4 O6 S2 -","2","1","","Sehlangia, Suman; Dogra, Surbhi; Mondal, Prosenjit; Pradeep, Chullikkattil P.","New 8-hydroxy quinoline-polycyclic aromatic hydrocarbon (PAH) conjugates and their sulfonated derivatives: effects of sulfonation and PAH size on their structural, supramolecular and cytotoxic properties","CrystEngComm","2024","26","18","2361","2372","10.1039/D4CE00105B","","x-ray","1.54184","CuKα","","0.052","0.0415","","","0.1079","0.1172","","","","","","1.0575","","","","has coordinates","292973","2024-07-05","15:34:20",""
"7248391","10.105","0.004","7.746","0.003","15.032","0.008","90","","91.13","0.03","90","","1176.4","0.9","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DMSS-AM","","","- C22 H36 N4 O6 -","- C22 H34 N4 O6 -","- C44 H68 N8 O12 -","2","0.5","","Jin, Yuxin; Jiang, Bingli; Song, Huajian; Mei, Chanming; Liu, Zuoan; Zhang, Xiakai; Liu, Jinyuan; Gong, Yongyang","Monophenyl luminescent material with dual-state emission and pH sensitivity for cell imaging.","RSC advances","2024","14","16","10942","10952","10.1039/d4ra01422g","","","1.54178","CuKα","","0.1028","0.0701","","","0.1893","0.2109","","","","","","1.106","","","","has coordinates","291133","2024-04-06","01:30:32",""
"7248392","9.8989","0.0003","11.368","0.0003","15.8912","0.0005","90","","90","","90","","1788.25","0.09","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O7 -","- C20 H22 O7 -","- C80 H88 O28 -","4","1","","Zhang, Xiao-Fang; Du, Jiao-Xian; Teng, Si-Qiong; Liu, Hui; He, Juan; Feng, Tao; Liu, Ji-Kai","Carpesabrolide A, a novel meroterpenoid with anti-inflammatory activity from Carpesium abrotanoides","RSC Advances","2024","14","16","11002","11006","10.1039/D4RA00292J","","","1.54178","CuKα","","0.031","0.0295","","","0.0723","0.0731","","","","","","1.057","","","","has coordinates","291134","2024-04-06","01:30:46",""
"7248393","21.066","0.008","12.519","0.007","17.232","0.008","90","","90","","90","","4545","4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C39 H52 Co3 N16 O5 -","- C38 H48 Co3 N16 O4 -","- C152 H192 Co12 N64 O16 -","4","1","","Bhunia, Sudip; Das, Mainak; Banerjee, Snehasis; Drew, Michael. G. B.; Ray, Partha Pratim; Chattopadhyay, Shouvik","Application of a distinctly bent, trinuclear, end-to-end azide bridged, mixed valence cobalt(iii/ii/iii) complex in the fabrication of photosensitive Schottky barrier diodes","RSC Advances","2024","14","16","11185","11196","10.1039/D4RA01406E","","","0.71073","MoKα","","0.0976","0.0604","","","0.0913","0.1059","","","","","","1.0454","","","","has coordinates","291142","2024-04-09","01:14:29",""
"7248394","11.5881","0.0001","7.3879","0.0001","14.8464","0.0002","90","","97.522","0.001","90","","1260.09","0.03","126.06","0.1","126.06","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 N2 -","- C16 H16 N2 -","- C64 H64 N8 -","4","1","","Schütte, Jonathan; Corsi, Daria; Haumer, Wolfgang; Schmid, Simon; Žurauskas, Jonas; Barham, Joshua P.","A hydrazine-free photoredox catalytic synthesis of azines by reductive activation of readily available oxime esters","Green Chemistry","2024","26","11","6446","6453","10.1039/D4GC00804A","","x-ray","1.54184","CuKα","","0.0335","0.0324","","","0.0928","0.0938","","","","","","1.08","","","","has coordinates","293168","2024-07-05","17:24:27",""
"7248395","24.6697","0.0019","13.3392","0.001","15.2344","0.0009","90","","115.878","0.004","90","","4510.5","0.6","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Co N10 S2 -","- C18 H24 Co N10 S2 -","- C144 H192 Co8 N80 S16 -","8","1","","Hannachi, Anissa; El Bakri, Youness; Saravanan, Kandasamy; Gómez-García, Carlos J.; Abuelizz, Hatem A.; Al-Salahi, Rashad; Smirani, Wajda","Metamagnetism and canted antiferromagnetic ordering in two monomeric CoII complexes with 1-(2-pyrimidyl)piperazine. Hirshfeld surface analysis and theoretical studies","RSC Advances","2024","14","16","11557","11569","10.1039/D4RA00716F","","","0.71073","MoKα","","0.1149","0.0615","","","0.0966","0.1111","","","","","","1.04","","","","has coordinates","291174","2024-04-11","01:25:08",""
"7248396","16.4142","0.0003","16.5691","0.0004","15.1392","0.0004","90","","90","","90","","4117.39","0.17","170","2","170","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H16 Co N8 O S4 -","- C12 H16 Co N8 O S4 -","- C96 H128 Co8 N64 O8 S32 -","8","2","","Hannachi, Anissa; El Bakri, Youness; Saravanan, Kandasamy; Gómez-García, Carlos J.; Abuelizz, Hatem A.; Al-Salahi, Rashad; Smirani, Wajda","Metamagnetism and canted antiferromagnetic ordering in two monomeric CoII complexes with 1-(2-pyrimidyl)piperazine. Hirshfeld surface analysis and theoretical studies","RSC Advances","2024","14","16","11557","11569","10.1039/D4RA00716F","","","0.71073","MoKα","","0.0796","0.0493","","","0.0778","0.0859","","","","","","1.03","","","","has coordinates","291174","2024-04-11","01:25:10",""
"7248397","4.4917","0.0006","5.4314","0.0008","8.3789","0.0012","90","","90","","90","","204.41","0.05","296","2","296","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- B4 Co1.76 Ni4.24 O12 -","- B4 Co1.76 Ni4.24 O12 -","- B4 Co1.76 Ni4.24 O12 -","1","0.125","","Sofronova, Svetlana; Moshkina, Evgeniya; Chernyshev, Artem; Vasiliev, Aleksandr; Maximov, Nikolai G.; Aleksandrovsky, Aleksandr; Andryushchenko, Tatyana; Shabanov, Aleksandr","Crystal growth and cation order of Ni3−xCoxB2O6 oxyborates","CrystEngComm","2024","26","19","2536","2543","10.1039/D4CE00091A","","","0.71073","MoKα","","0.0321","0.0288","","","0.0783","0.0838","","","","","","1.164","","","","has coordinates","292954","2024-07-05","15:23:33",""
"7248398","14.3876","0.0008","14.3876","0.0008","15.9256","0.001","90","","90","","120","","2855","0.3","296","2","296","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H40.5 Co3 Dy2 O39 -","- C24 H40.5 Co3 Dy2 O39 -","- C48 H81 Co6 Dy4 O78 -","2","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","","0.71073","MoKα","","0.0603","0.0315","","","0.0909","0.1101","","","","","","1.103","","","","has coordinates,has disorder","292961","2024-07-05","15:28:28",""
"7248399","25.5971","0.0007","25.5971","0.0007","25.5971","0.0007","90","","90","","90","","16771.5","0.8","296","2","296","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H42 Co3 O39 Y2 -","- C24 H42 Co3 O39 Y2 -","- C384 H672 Co48 O624 Y32 -","16","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","","0.71073","MoKα","","0.0498","0.0332","","","0.0923","0.1094","","","","","","1.122","","","","has coordinates,has disorder","292961","2024-07-05","15:28:29",""
"7248400","25.8541","0.0005","25.8541","0.0005","25.8541","0.0005","90","","90","","90","","17281.8","0.6","298","2","298","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H30 Co3 Eu2 O39 -","- C24 H30 Co3 Eu2 O39 -","- C384 H480 Co48 Eu32 O624 -","16","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0458","0.0336","","","0.0721","0.0802","","","","","","1.154","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248401","14.7363","0.0005","14.7363","0.0005","15.6706","0.0006","90","","90","","120","","2947.09","0.18","293","2","293","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H30 Co3 Gd2 O37 -","- C24 H30 Co3 Gd2 O37.0002 -","- C48 H60 Co6 Gd4 O74.0004 -","2","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0657","0.0453","","","0.1462","0.1574","","","","","","1.155","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248402","14.8895","0.0009","14.8895","0.0009","15.5803","0.0009","90","","90","","120","","2991.3","0.3","293","2","293","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H36 Co3 O37 Sm2 -","- C24 H36 Co3 O37.0002 Sm2 -","- C48 H72 Co6 O74.0004 Sm4 -","2","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0721","0.0463","","","0.1459","0.1628","","","","","","1.096","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248403","25.4349","0.0002","25.4349","0.0002","25.4349","0.0002","90","","90","","90","","16454.7","0.2","298","2","298","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H30 Co3 Lu2 O38 -","- C24 H30 Co3 Lu2 O37.9998 -","- C384 H480 Co48 Lu32 O607.997 -","16","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0236","0.0213","","","0.0668","0.0682","","","","","","1.218","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248404","15.2306","0.0002","15.2306","0.0002","15.2343","0.0003","90","","90","","120","","3060.46","0.08","298","2","298","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H30 Ce2 Co3 O40.5 -","- C24 H30 Ce2 Co3 O40.5 -","- C48 H60 Ce4 Co6 O81 -","2","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.032","0.0276","","","0.1031","0.1074","","","","","","1.011","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248405","15.2346","0.0003","15.2346","0.0003","15.2447","0.0003","90","","90","","120","","3064.16","0.1","298","2","298","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H30 Co3 O40.5 Pr2 -","- C24 H30 Co3 O40.5 Pr2 -","- C48 H60 Co6 O81 Pr4 -","2","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0394","0.0325","","","0.1291","0.1359","","","","","","1.076","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248406","14.8895","0.0009","14.8895","0.0009","15.5803","0.0009","90","","90","","120","","2991.3","0.3","293","2","293","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H36 Co3 O37 Sm2 -","- C24 H36 Co3 O37.0002 Sm2 -","- C48 H72 Co6 O74.0004 Sm4 -","2","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0721","0.0463","","","0.1459","0.1628","","","","","","1.096","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248407","14.5351","0.0009","14.5351","0.0009","15.8928","0.001","90","","90","","120","","2907.8","0.3","298","2","298","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H30 Co3 Ho2 O40.5 -","- C24 H30 Co3 Ho2 O40.5 -","- C48 H60 Co6 Ho4 O81 -","2","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0417","0.0292","","","0.0863","0.0933","","","","","","1.056","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248408","25.5505","0.0008","25.5505","0.0008","25.5505","0.0008","90","","90","","90","","16680.1","0.9","298","2","298","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H30 Co3 Ho2 O38 -","- C24 H30 Co3 Ho2 O37.9998 -","- C384 H480 Co48 Ho32 O607.997 -","16","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0359","0.0257","","","0.077","0.0859","","","","","","1.165","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248409","14.826","0.0005","14.826","0.0005","15.6527","0.0005","90","","90","","120","","2979.67","0.17","293","2","293","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H30 Co3 Eu2 O37 -","- C24 H30 Co3 Eu2 O37.0002 -","- C48 H60 Co6 Eu4 O74.0004 -","2","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0529","0.0355","","","0.0907","0.0974","","","","","","1.133","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248410","14.5233","0.0006","14.5233","0.0006","15.8044","0.0007","90","","90","","120","","2886.9","0.2","298","2","298","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H30 Co3 O40.5 Y2 -","- C24 H30 Co3 O40.5 Y2 -","- C48 H60 Co6 O81 Y4 -","2","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","1.54184","CuKα","","0.0424","0.0399","","","0.1293","0.133","","","","","","1.124","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248411","25.4426","0.001","25.4426","0.001","25.4426","0.001","90","","90","","90","","16469.7","1.1","298","2","298","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H30 Co3 O38 Yb2 -","- C24 H30 Co3 O37.9998 Yb2 -","- C384 H480 Co48 O607.997 Yb32 -","16","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0536","0.0293","","","0.0879","0.1072","","","","","","1.074","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248412","25.6646","0.0011","25.6646","0.0011","25.6646","0.0011","90","","90","","90","","16904.5","1.3","298","2","298","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H36 Co3 O39 Tb2 -","- C24 H36 Co3 O39 Tb2 -","- C384 H576 Co48 O624 Tb32 -","16","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0473","0.0325","","","0.0732","0.08","","","","","","1.197","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248413","14.6496","0.0005","14.6496","0.0005","15.7485","0.0006","90","","90","","120","","2926.99","0.18","293","2","293","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H36 Co3 O37 Tb2 -","- C24 H36 Co3 O37.0002 Tb2 -","- C48 H72 Co6 O74.0004 Tb4 -","2","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.059","0.0416","","","0.1066","0.1147","","","","","","1.163","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248414","25.4416","0.0009","25.4416","0.0009","25.4416","0.0009","90","","90","","90","","16467.7","1","298","2","298","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H30 Co3 O39 Tm2 -","- C24 H30 Co3 O39 Tm2 -","- C384 H480 Co48 O624 Tm32 -","16","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0572","0.0327","","","0.0905","0.109","","","","","","1.152","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248415","14.7363","0.0005","14.7363","0.0005","15.6706","0.0006","90","","90","","120","","2947.09","0.18","293","2","293","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H30 Co3 Gd2 O37 -","- C24 H30 Co3 Gd2 O37.0002 -","- C48 H60 Co6 Gd4 O74.0004 -","2","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0657","0.0453","","","0.1463","0.1574","","","","","","1.156","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248416","14.6897","0.0005","14.0457","0.0006","20.6528","0.0007","90","","104.441","0.001","90","","4126.6","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 Br O2 -","- C28 H19 Br O2 -","- C224 H152 Br8 O16 -","8","2","","Silber, Vincent; Gourlaouen, Christophe; Ruppert, Romain","Keto–enol equilibrium: stable tautomers of ortho-, meta-, and para-hydroquinones in large aromatics","RSC Advances","2024","14","17","11969","11976","10.1039/D4RA02202E","","","0.71073","MoKα","","0.0389","0.0295","","","0.0709","0.0764","","","","","","1.006","","","","has coordinates","291219","2024-04-16","01:33:25",""
"7248417","10.168","0.002","10.859","0.002","11.191","0.002","82.43","0.03","64.17","0.03","76.64","0.03","1081.4","0.5","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H34 N2 O2 -","- C26 H34 N2 O2 -","- C52 H68 N4 O4 -","2","1","","Tian, Feng-Xian; Liu, Fan-Fan; Wei, Jian; Xiao, Jia-Xi; Qu, Jin","Redox-neutral α-functionalization of pyrrolidines: facile access to α-aryl-substituted pyrrolidines","RSC Advances","2024","14","17","11986","11991","10.1039/D4RA00983E","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","291220","2024-04-16","01:33:40",""
"7248418","8.1861","0.0011","11.0003","0.0016","14.636","0.002","76.208","0.005","78.404","0.004","86.588","0.004","1253.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 N2 O3 -","- C32 H26 N2 O3 -","- C64 H52 N4 O6 -","2","1","","Alkaltham, Manal Fahad; Almansour, Abdulrahman I.; Arumugam, Natarajan; Vagolu, Siva Krishna; Tønjum, Tone; Alaqeel, Shatha Ibrahim; Rajaratnam, Saiswaroop; Sivaramakrishnan, Venketesh","Activity against <i>Mycobacterium tuberculosis</i> of a new class of spirooxindolopyrrolidine embedded chromanone hybrid heterocycles.","RSC advances","2024","14","17","11604","11613","10.1039/d4ra01501k","","","0.71073","MoKα","","0.1243","0.0521","","","0.0963","0.1183","","","","","","1.034","","","","has coordinates","291221","2024-04-16","01:34:11",""
"7248419","10.392","0.002","11.038","0.002","13.93","0.003","66.842","0.006","83.821","0.008","68.789","0.006","1368.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H28 N2 O4 -","- C33 H28 N2 O4 -","- C66 H56 N4 O8 -","2","1","","Alkaltham, Manal Fahad; Almansour, Abdulrahman I.; Arumugam, Natarajan; Vagolu, Siva Krishna; Tønjum, Tone; Alaqeel, Shatha Ibrahim; Rajaratnam, Saiswaroop; Sivaramakrishnan, Venketesh","Activity against <i>Mycobacterium tuberculosis</i> of a new class of spirooxindolopyrrolidine embedded chromanone hybrid heterocycles.","RSC advances","2024","14","17","11604","11613","10.1039/d4ra01501k","","","0.71073","MoKα","","0.0744","0.0471","","","0.104","0.1181","","","","","","1.008","","","","has coordinates","291221","2024-04-16","01:34:11",""
"7248420","36.4386","0.0008","9.7054","0.0003","30.3886","0.0007","90","","110.431","0.001","90","","10070.9","0.5","194","","194","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","BPQ","Bis(pyreneloquinoxaline)","","- C64 H60 N4 -","- C64 H60 N4 -","- C512 H480 N32 -","8","1","","Zhang, Dongyang; Zhang, Fengyuan; Du, Hanyun; Liu, Fei; Yi, Xiaohui; Chen, Jun; Hu, Ben-Lin","U-shaped stereoscopic design strategy toward N-doped nanographene segment.","RSC advances","2024","14","17","11771","11774","10.1039/d4ra00788c","","x-ray","1.54178","CuKα","","0.1057","0.0711","","","0.193","0.231","","","","","","1.075","","","","has coordinates,has disorder","291222","2024-04-16","01:34:34",""
"7248421","10.9104","0.0004","11.1907","0.0004","15.6859","0.0004","90","","90","","90","","1915.17","0.11","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H8 O4 -","- C12 H8 O4 -","- C96 H64 O32 -","8","1","","Blasco-Brusola, Alejandro; Tamarit, Lorena; Navarrete-Miguel, Miriam; Roca-Sanjuán, Daniel; Miranda, Miguel A.; Vayá, Ignacio","Photolytic splitting of homodimeric quinone-derived oxetanes studied by ultrafast transient absorption spectroscopy and quantum chemistry.","Physical chemistry chemical physics : PCCP","2024","26","17","13489","13496","10.1039/d4cp00830h","","x-ray","0.71073","MoKα","","0.0435","0.0348","","","0.0851","0.0901","","","","","","1.027","","","","has coordinates","291698","2024-05-05","04:10:20",""
"7248422","8.1365","0.0005","20.6845","0.0012","8.5612","0.0004","90","","97.619","0.002","90","","1428.12","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 O4 -","- C20 H12 O4 -","- C80 H48 O16 -","4","1","","Blasco-Brusola, Alejandro; Tamarit, Lorena; Navarrete-Miguel, Miriam; Roca-Sanjuán, Daniel; Miranda, Miguel A.; Vayá, Ignacio","Photolytic splitting of homodimeric quinone-derived oxetanes studied by ultrafast transient absorption spectroscopy and quantum chemistry.","Physical chemistry chemical physics : PCCP","2024","26","17","13489","13496","10.1039/d4cp00830h","","x-ray","0.71073","MoKα","","0.0429","0.0355","","","0.0887","0.0933","","","","","","1.057","","","","has coordinates","291698","2024-05-05","04:10:29",""
"7248423","10.1753","0.0002","10.828","0.0002","18.8802","0.0003","102.097","0.002","99.993","0.002","106.014","0.002","1894.91","0.07","293","2","180.15","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H40 N4 O4 -","- C46 H40 N4 O4 -","- C92 H80 N8 O8 -","2","1","","Antoniou, Ioakeim M.; Ioannou, Natalia; Panagiotou, Nikos; Georgiades, Savvas N.","LED-induced Ru-photoredox Pd-catalyzed C–H arylation of (6-phenylpyridin-2-yl)pyrimidines and heteroaryl counterparts","RSC Advances","2024","14","17","12179","12191","10.1039/D4RA02173H","","","1.54184","CuKα","","0.0427","0.0375","","","0.1012","0.1042","","","","","","1.062","","","","has coordinates,has disorder","291248","2024-04-17","01:39:07",""
"7248424","10.57556","0.00011","33.1193","0.0003","9.47501","0.0001","90","","98.5987","0.001","90","","3281.37","0.06","149.98","0.16","149.98","0.16","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 N4 O3 -","- C38 H28 N4 O3 -","- C152 H112 N16 O12 -","4","1","","Antoniou, Ioakeim M.; Ioannou, Natalia; Panagiotou, Nikos; Georgiades, Savvas N.","LED-induced Ru-photoredox Pd-catalyzed C–H arylation of (6-phenylpyridin-2-yl)pyrimidines and heteroaryl counterparts","RSC Advances","2024","14","17","12179","12191","10.1039/D4RA02173H","","x-ray","1.54184","CuKα","","0.0475","0.0443","","","0.1296","0.1324","","","","","","1.031","","","","has coordinates","291248","2024-04-17","01:39:09",""
"7248425","14.20645","0.00012","9.47536","0.00007","21.65599","0.00018","90","","91.4501","0.0007","90","","2914.21","0.04","180","0.16","180","0.16","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Cl2 N4 O3 -","- C32 H28 Cl2 N4 O3 -","- C128 H112 Cl8 N16 O12 -","4","1","","Antoniou, Ioakeim M.; Ioannou, Natalia; Panagiotou, Nikos; Georgiades, Savvas N.","LED-induced Ru-photoredox Pd-catalyzed C–H arylation of (6-phenylpyridin-2-yl)pyrimidines and heteroaryl counterparts","RSC Advances","2024","14","17","12179","12191","10.1039/D4RA02173H","","x-ray","1.54184","CuKα","","0.0588","0.0568","","","0.1529","0.1545","","","","","","1.044","","","","has coordinates","291248","2024-04-17","01:39:18",""
"7248426","29.7627","0.0004","9.05888","0.00012","18.3792","0.0002","90","","92.1028","0.0012","90","","4952","0.11","179.99","0.1","179.99","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H23 F N4 O2 -","- C30 H23 F N4 O2 -","- C240 H184 F8 N32 O16 -","8","1","","Antoniou, Ioakeim M.; Ioannou, Natalia; Panagiotou, Nikos; Georgiades, Savvas N.","LED-induced Ru-photoredox Pd-catalyzed C–H arylation of (6-phenylpyridin-2-yl)pyrimidines and heteroaryl counterparts","RSC Advances","2024","14","17","12179","12191","10.1039/D4RA02173H","","x-ray","1.54184","CuKα","","0.0375","0.0334","","","0.0892","0.0916","","","","","","1.051","","","","has coordinates","291248","2024-04-17","01:39:35",""
"7248427","13.693","0.0003","26.2789","0.0005","16.4539","0.0004","90","","102.605","0.002","90","","5778","0.2","149.99","0.14","149.99","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H48 Cl4 N8 O6 Pd2 -","- C65 H48 Cl4 N8 O6 Pd2 -","- C260 H192 Cl16 N32 O24 Pd8 -","4","1","","Antoniou, Ioakeim M.; Ioannou, Natalia; Panagiotou, Nikos; Georgiades, Savvas N.","LED-induced Ru-photoredox Pd-catalyzed C–H arylation of (6-phenylpyridin-2-yl)pyrimidines and heteroaryl counterparts","RSC Advances","2024","14","17","12179","12191","10.1039/D4RA02173H","","","1.54184","CuKα","","0.0762","0.0549","","","0.1371","0.1477","","","","","","1.053","","","","has coordinates,has disorder","291248","2024-04-17","01:39:36",""
"7248428","30.8184","0.0004","8.96166","0.00012","18.6116","0.0002","90","","94.5518","0.0012","90","","5124.01","0.11","179.98","0.1","179.98","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H26 N4 O2 -","- C31 H26 N4 O2 -","- C248 H208 N32 O16 -","8","1","","Antoniou, Ioakeim M.; Ioannou, Natalia; Panagiotou, Nikos; Georgiades, Savvas N.","LED-induced Ru-photoredox Pd-catalyzed C–H arylation of (6-phenylpyridin-2-yl)pyrimidines and heteroaryl counterparts","RSC Advances","2024","14","17","12179","12191","10.1039/D4RA02173H","","x-ray","1.54184","CuKα","","0.0443","0.0373","","","0.0982","0.1017","","","","","","1.049","","","","has coordinates","291248","2024-04-17","01:39:44",""
"7248429","11.6496","0.0002","14.1847","0.0002","22.6036","0.0003","105.402","0.001","90.354","0.001","107.05","0.002","3428.4","0.1","179.97","0.14","179.97","0.14","","","","","","","","4","P -1","-P 1","2","","","","- C80 H74 N8 O11 -","- C80 H74 N8 O11 -","- C160 H148 N16 O22 -","2","1","","Antoniou, Ioakeim M.; Ioannou, Natalia; Panagiotou, Nikos; Georgiades, Savvas N.","LED-induced Ru-photoredox Pd-catalyzed C–H arylation of (6-phenylpyridin-2-yl)pyrimidines and heteroaryl counterparts","RSC Advances","2024","14","17","12179","12191","10.1039/D4RA02173H","","x-ray","1.54184","CuKα","","0.0437","0.0392","","","0.103","0.1058","","","","","","1.06","","","","has coordinates,has disorder","291248","2024-04-17","01:40:01",""
"7248430","8.928","0.004","13.417","0.007","20.372","0.007","100.79","0.02","95.217","0.017","100.557","0.016","2336.7","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H39 Cl3 N2 O12 -","- C51 H39 Cl3 N2 O12 -","- C102 H78 Cl6 N4 O24 -","2","1","","Benny, Anjitha Theres; Thamim, Masthan; Srivastava, Prakhar; Suresh, Sindoora; Thirumoorthy, Krishnan; Rangasamy, Loganathan; S., Karthikeyan; Easwaran, Nalini; Radhakrishnan, Ethiraj Kannatt","Synthesis and study of antibiofilm and antivirulence properties of flavonol analogues generated by palladium catalyzed ligand free Suzuki–Miyaura coupling against Pseudomonas aeruginosa PAO1","RSC Advances","2024","14","18","12278","12293","10.1039/D3RA08617H","","","1.54184","CuKα","","0.1051","0.0734","","","0.184","0.2071","","","","","","1.035","","","","has coordinates,has disorder","291249","2024-04-17","01:41:00",""
"7248431","8.8256","0.0016","12.078","0.002","13.533","0.002","105.526","0.006","98.35","0.006","106.79","0.006","1291.4","0.4","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H23 Cl3 O7 -","- C26 H23 Cl3 O7 -","- C52 H46 Cl6 O14 -","2","1","","Benny, Anjitha Theres; Thamim, Masthan; Srivastava, Prakhar; Suresh, Sindoora; Thirumoorthy, Krishnan; Rangasamy, Loganathan; S., Karthikeyan; Easwaran, Nalini; Radhakrishnan, Ethiraj Kannatt","Synthesis and study of antibiofilm and antivirulence properties of flavonol analogues generated by palladium catalyzed ligand free Suzuki–Miyaura coupling against Pseudomonas aeruginosa PAO1","RSC Advances","2024","14","18","12278","12293","10.1039/D3RA08617H","","","0.71073","MoKα","","0.0937","0.0632","","","0.1421","0.1637","","","","","","1.028","","","","has coordinates","291249","2024-04-17","01:41:01",""
"7248432","11.47661","0.00014","17.9492","0.0002","17.0666","0.0003","90","","92.1926","0.0012","90","","3513.08","0.08","140","0.1","140","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H34 O2 P2 Pt Se -","- C43 H34 O2 P2 Pt Se -","- C172 H136 O8 P8 Pt4 Se4 -","4","1","","Atiga, Simeon; Saunders, Graham C.; Henderson, William","Selenosalicylate; a little-studied heavy-element analogue of the versatile thiosalicylate ligand","RSC Advances","2024","14","18","12323","12336","10.1039/D4RA00926F","","x-ray","1.54184","CuKα","","0.0291","0.0237","","","0.0548","0.0574","","","","","","1.0462","","","","has coordinates,has disorder","291250","2024-04-17","01:42:28",""
"7248433","9.5935","0.0003","12.8922","0.0003","12.4357","0.0005","90","","106.07","0.003","90","","1477.96","0.09","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 O4 Ru2 Se2 -","- C34 H36 O4 Ru2 Se2 -","- C68 H72 O8 Ru4 Se4 -","2","0.5","","Atiga, Simeon; Saunders, Graham C.; Henderson, William","Selenosalicylate; a little-studied heavy-element analogue of the versatile thiosalicylate ligand","RSC Advances","2024","14","18","12323","12336","10.1039/D4RA00926F","","x-ray","1.54184","CuKα","","0.0279","0.0245","","","0.0611","0.0637","","","","","","1.0387","","","","has coordinates","291250","2024-04-17","01:42:30",""
"7248434","11.2452","0.00015","10.02131","0.00011","14.11953","0.00018","90","","99.208","0.0013","90","","1570.65","0.03","140","0.1","140","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 O4 Rh2 Se2 -","- C34 H38 O4 Rh2 Se2 -","- C68 H76 O8 Rh4 Se4 -","2","0.5","","Atiga, Simeon; Saunders, Graham C.; Henderson, William","Selenosalicylate; a little-studied heavy-element analogue of the versatile thiosalicylate ligand","RSC Advances","2024","14","18","12323","12336","10.1039/D4RA00926F","","x-ray","1.54184","CuKα","","0.0305","0.0235","","","0.051","0.0532","","","","","","1.0342","","","","has coordinates","291250","2024-04-17","01:42:48",""
"7248435","8.6583","0.0003","18.2265","0.0006","19.3876","0.0006","86.012","0.003","86.316","0.002","82.18","0.003","3019.12","0.17","99.9","0.5","99.9","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C70 H70 Ir2 O5 P2 Se2 -","- C70 H70 Ir2 O5 P2 Se2 -","- C140 H140 Ir4 O10 P4 Se4 -","2","1","","Atiga, Simeon; Saunders, Graham C.; Henderson, William","Selenosalicylate; a little-studied heavy-element analogue of the versatile thiosalicylate ligand","RSC Advances","2024","14","18","12323","12336","10.1039/D4RA00926F","","x-ray","1.54184","CuKα","","0.0369","0.0323","","","0.0685","0.071","","","","","","1.0508","","","","has coordinates,has disorder","291250","2024-04-17","01:42:50",""
"7248436","8.7307","0.0003","16.6328","0.0007","9.6082","0.0004","90","","100.146","0.001","90","","1373.45","0.09","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N9 O Pb -","- C11 H9 N9 O Pb -","- C44 H36 N36 O4 Pb4 -","4","1","","Mahmoudi, Ghodrat; García-Santos, Isabel; Fernández-Vázquez, Roi; Gomila, Rosa M.; Castiñeiras, Alfonso; Doustkhah, Esmail; Zangrando, Ennio; Frontera, Antonio","Structural diversity and tetrel bonding significance in lead(ii) complexes with pyrazoylisonicotinoylhydrazone and varied anionic co-ligands","CrystEngComm","2024","26","19","2526","2535","10.1039/D4CE00325J","","","0.71073","MoKα","","0.0175","0.0144","","","0.0303","0.0311","","","","","","1.09","","","","has coordinates","292956","2024-07-05","15:24:17",""
"7248437","7.1869","0.0003","18.1539","0.0007","10.3088","0.0004","90","","97.142","0.002","90","","1334.56","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N7 O3 Pb -","- C11 H9 N7 O3 Pb -","- C44 H36 N28 O12 Pb4 -","4","1","","Mahmoudi, Ghodrat; García-Santos, Isabel; Fernández-Vázquez, Roi; Gomila, Rosa M.; Castiñeiras, Alfonso; Doustkhah, Esmail; Zangrando, Ennio; Frontera, Antonio","Structural diversity and tetrel bonding significance in lead(ii) complexes with pyrazoylisonicotinoylhydrazone and varied anionic co-ligands","CrystEngComm","2024","26","19","2526","2535","10.1039/D4CE00325J","","","0.71073","MoKα","","0.0238","0.0199","","","0.0457","0.0473","","","","","","1.071","","","","has coordinates","292956","2024-07-05","15:24:17",""
"7248438","8.4135","0.0007","16.6666","0.0012","10.1721","0.0007","90","","95.905","0.002","90","","1418.81","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N7 O Pb S -","- C12 H9 N7 O Pb S -","- C48 H36 N28 O4 Pb4 S4 -","4","1","","Mahmoudi, Ghodrat; García-Santos, Isabel; Fernández-Vázquez, Roi; Gomila, Rosa M.; Castiñeiras, Alfonso; Doustkhah, Esmail; Zangrando, Ennio; Frontera, Antonio","Structural diversity and tetrel bonding significance in lead(ii) complexes with pyrazoylisonicotinoylhydrazone and varied anionic co-ligands","CrystEngComm","2024","26","19","2526","2535","10.1039/D4CE00325J","","","0.71073","MoKα","","0.0293","0.0214","","","0.0422","0.0445","","","","","","1.032","","","","has coordinates","292956","2024-07-05","15:24:17",""
"7248439","7.1282","0.0003","16.9244","0.0006","12.1283","0.0005","90","","104.343","0.001","90","","1417.56","0.1","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N7 O4 Pb -","- C11 H9 N7 O4 Pb -","- C44 H36 N28 O16 Pb4 -","4","1","","Mahmoudi, Ghodrat; García-Santos, Isabel; Fernández-Vázquez, Roi; Gomila, Rosa M.; Castiñeiras, Alfonso; Doustkhah, Esmail; Zangrando, Ennio; Frontera, Antonio","Structural diversity and tetrel bonding significance in lead(ii) complexes with pyrazoylisonicotinoylhydrazone and varied anionic co-ligands","CrystEngComm","2024","26","19","2526","2535","10.1039/D4CE00325J","","","0.71073","MoKα","","0.0415","0.0341","","","0.0849","0.0883","","","","","","1.228","","","","has coordinates","292956","2024-07-05","15:24:17",""
"7248440","4.804","0.001","18.247","0.004","9.818","0.002","90","","104","0.03","90","","835.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(H2dobpdc)(GuaH)2","","- C16 H20 N6 O6 -","- C16 H20 N6 O6 -","- C32 H40 N12 O12 -","2","0.5","","Song, Jeong Hwa; Jeon, Byeong Hak; Kang, Dong Won","A highly stable hydrogen-bonded organic framework for hydrogen storage","CrystEngComm","2024","26","18","2342","2345","10.1039/D4CE00245H","","","0.7","","","0.0818","0.0806","","","0.2449","0.2481","","","","","","1.142","","","","has coordinates","292977","2024-07-05","15:34:50",""
"7248441","5.7433","0.0005","7.1269","0.0008","9.2269","0.0009","111.701","0.003","89.034","0.004","111.392","0.003","323.68","0.06","100","0.5","100","0.5","","","","","","","","2","P -1","-P 1","2","","","","- C10 F18 -","- C10 F18 -","- C10 F18 -","1","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0266","0.0259","","","0.0749","0.0757","","","","","","1.088","","","","has coordinates","292959","2024-07-05","15:26:46",""
"7248442","5.7891","0.0005","7.1855","0.0008","9.3","0.0009","111.813","0.003","89.307","0.004","111.525","0.003","330.64","0.06","200","0.5","200","0.5","","","","","","","","2","P -1","-P 1","2","","","","- C10 F18 -","- C10 F18 -","- C10 F18 -","1","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.029","0.028","","","0.0832","0.0848","","","","","","1.124","","","","has coordinates","292959","2024-07-05","15:26:47",""
"7248443","5.8708","0.0007","7.2213","0.0007","9.3736","0.0012","111.871","0.003","90.014","0.004","111.475","0.003","338.87","0.07","290","2","290","2","","","","","","","","2","P -1","-P 1","2","","trans-Perfluorodecalin","","- C10 F18 -","- C10 F18 -","- C10 F18 -","1","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0543","0.05","","","0.1375","0.1465","","","","","","1.147","","","","has coordinates","292959","2024-07-05","15:26:47",""
"7248444","5.7954","0.0003","7.1695","0.0003","9.3027","0.0005","111.803","0.0013","89.4664","0.0016","111.572","0.0015","330.1","0.03","200","2","200","2","","","","","","","","2","P -1","-P 1","2","","trans-Perfluorodecalin","","- C10 F18 -","- C10 F18 -","- C10 F18 -","1","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.037","0.0349","","","0.0974","0.1007","","","","","","1.147","","","","has coordinates","292959","2024-07-05","15:26:47",""
"7248445","5.7499","0.0003","7.1098","0.0003","9.2311","0.0005","111.689","0.0011","89.194","0.0014","111.435","0.0013","323.19","0.03","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","trans-Perfluorodecalin","","- C10 F18 -","- C10 F18 -","- C10 F18 -","1","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0321","0.0309","","","0.0864","0.0885","","","","","","1.077","","","","has coordinates","292959","2024-07-05","15:26:47",""
"7248446","5.94","0.002","7.257","0.002","9.19","0.002","111.733","0.01","89.911","0.01","113.546","0.009","332.33","0.17","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","trans-Perfluorodecalin (disordered, crystallized from cis-trans mixture)","","- C10 F18 -","- C10 F18 -","- C10 F18 -","1","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0977","0.0872","","","0.2249","0.2401","","","","","","1.047","","","","has coordinates,has disorder","292959","2024-07-05","15:26:47",""
"7248447","11.925","0.0015","8.2439","0.0011","17.812","0.003","90","","101.364","0.004","90","","1716.7","0.4","100","2","100","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0937","0.0886","","","0.1674","0.1698","","","","","","1.205","","","","has coordinates","292959","2024-07-05","15:26:47",""
"7248448","11.9439","0.0013","8.2503","0.0009","17.847","0.002","90","","101.343","0.003","90","","1724.3","0.3","120","2","120","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in moclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0784","0.0739","","","0.1461","0.1488","","","","","","1.185","","","","has coordinates","292959","2024-07-05","15:26:47",""
"7248449","5.267","0.0002","10.4832","0.0004","7.8148","0.0002","90","","90.8405","0.0013","90","","431.45","0.03","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","trans-Decalin","","- C10 H18 -","- C10 H18 -","- C20 H36 -","2","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0356","0.0341","","","0.0815","0.0828","","","","","","1.1","","","","has coordinates","292959","2024-07-05","15:26:47",""
"7248450","17.1772","0.001","6.2586","0.0002","13.1557","0.0007","90","","106.43","0.0015","90","","1356.56","0.12","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","cis-Perfluorodecalin","","- C10 F18 -","- C10 F18 -","- C40 F72 -","4","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.064","0.0501","","","0.1412","0.1741","","","","","","1.13","","","","has coordinates,has disorder","292959","2024-07-05","15:26:47",""
"7248451","11.9467","0.0012","8.2518","0.0009","17.853","0.002","90","","101.341","0.003","90","","1725.6","0.3","120","2","120","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in monclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0782","0.0738","","","0.1425","0.1448","","","","","","1.19","","","","has coordinates","292959","2024-07-05","15:26:47",""
"7248452","8.2665","0.0007","10.5488","0.0007","11.9705","0.001","113.55","0.002","90.196","0.003","112.709","0.002","867.25","0.12","120","2","120","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (LT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0496","0.0427","","","0.095","0.1009","","","","","","1.072","","","","has coordinates","292959","2024-07-05","15:26:47",""
"7248453","6.0143","0.0018","7.3233","0.0019","9.274","0.002","111.955","0.009","90.006","0.009","113.796","0.008","341.11","0.16","230","2","230","2","","","","","","","","2","P -1","-P 1","2","","trans-Perfluorodecalin (disordered, crystallized from cis-trans mixture)","","- C10 F18 -","- C10 F18 -","- C10 F18 -","1","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0966","0.0744","","","0.1951","0.2282","","","","","","1.071","","","","has coordinates,has disorder","292959","2024-07-05","15:26:47",""
"7248454","8.2634","0.0009","10.5357","0.0009","11.9616","0.0012","113.547","0.003","90.218","0.003","112.694","0.003","865.27","0.15","110","2","110","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (LT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0486","0.0411","","","0.0953","0.1028","","","","","","1.056","","","","has coordinates","292959","2024-07-05","15:26:47",""
"7248455","17.0062","0.0011","6.2091","0.0003","13.0007","0.0008","90","","105.502","0.0018","90","","1322.85","0.13","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","cis-Perfluorodecalin","","- C10 F18 -","- C9.99 F17.982 -","- C39.96 F71.928 -","4","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.053","0.0444","","","0.1091","0.1217","","","","","","1.144","","","","has coordinates,has disorder","292959","2024-07-05","15:26:47",""
"7248456","8.277","0.0004","10.5807","0.0004","11.9867","0.0005","113.506","0.0012","90.1279","0.0014","112.79","0.0012","872.11","0.07","140","2","140","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (LT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0495","0.0417","","","0.1011","0.1084","","","","","","1.046","","","","has coordinates","292959","2024-07-05","15:26:47",""
"7248457","8.2635","0.0009","10.5367","0.0009","11.9622","0.0012","113.553","0.003","90.215","0.003","112.692","0.003","865.38","0.15","110","2","110","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (LT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0496","0.0423","","","0.0965","0.1025","","","","","","1.061","","","","has coordinates","292959","2024-07-05","15:26:47",""
"7248458","8.2665","0.0007","10.5475","0.0007","11.9704","0.0009","113.554","0.002","90.201","0.003","112.704","0.002","867.12","0.12","120","2","120","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (LT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.05","0.0422","","","0.0946","0.1021","","","","","","1.079","","","","has coordinates","292959","2024-07-05","15:26:47",""
"7248459","8.2775","0.0004","10.5829","0.0004","11.9879","0.0005","113.506","0.0011","90.1124","0.0013","112.805","0.0012","872.36","0.07","140","2","140","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (LT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0505","0.0424","","","0.1036","0.1124","","","","","","1.066","","","","has coordinates,has disorder","292959","2024-07-05","15:26:48",""
"7248460","5.3191","0.0002","10.564","0.0004","7.858","0.0002","90","","90.7843","0.0014","90","","441.51","0.03","200","2","200","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","trans-Decalin","","- C10 H18 -","- C10 H18 -","- C20 H36 -","2","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0413","0.039","","","0.094","0.0963","","","","","","1.146","","","","has coordinates","292959","2024-07-05","15:26:48",""
"7248461","8.2602","0.0009","10.5243","0.0009","11.9532","0.0012","113.547","0.003","90.225","0.003","112.687","0.003","863.42","0.15","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (LT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0503","0.0423","","","0.0922","0.099","","","","","","1.053","","","","has coordinates","292959","2024-07-05","15:26:48",""
"7248462","11.9735","0.0007","8.2678","0.0005","17.9172","0.0012","90","","101.36","0.0017","90","","1738.95","0.19","140","2","140","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0549","0.0494","","","0.115","0.1198","","","","","","1.065","","","","has coordinates","292959","2024-07-05","15:26:48",""
"7248463","8.2823","0.0005","10.6037","0.0005","11.9909","0.0007","113.428","0.0016","90.0435","0.0019","112.888","0.0017","875.02","0.09","150","2","150","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.05","0.0414","","","0.0978","0.1061","","","","","","1.027","","","","has coordinates,has disorder","292959","2024-07-05","15:26:48",""
"7248464","11.9376","0.0014","8.2488","0.001","17.833","0.002","90","","101.352","0.003","90","","1721.7","0.3","110","2","110","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.085","0.0806","","","0.1539","0.1561","","","","","","1.194","","","","has coordinates","292959","2024-07-05","15:26:48",""
"7248465","11.9334","0.0014","8.2466","0.001","17.828","0.002","90","","101.35","0.003","90","","1720.1","0.3","110","2","110","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0856","0.0816","","","0.159","0.1609","","","","","","1.198","","","","has coordinates","292959","2024-07-05","15:26:48",""
"7248466","11.9609","0.001","8.2593","0.0007","17.8832","0.0017","90","","101.342","0.002","90","","1732.2","0.3","132","2","132","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0675","0.0627","","","0.1283","0.1317","","","","","","1.17","","","","has coordinates","292959","2024-07-05","15:26:48",""
"7248467","11.9706","0.0008","8.2662","0.0006","17.9123","0.0013","90","","101.359","0.0018","90","","1737.7","0.2","140","2","140","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0561","0.0511","","","0.1157","0.1199","","","","","","1.089","","","","has coordinates","292959","2024-07-05","15:26:48",""
"7248468","8.2699","0.0007","10.5607","0.0007","11.9762","0.001","113.534","0.002","90.179","0.003","112.733","0.003","869","0.12","130","2","130","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (LT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.048","0.0409","","","0.0937","0.1004","","","","","","1.044","","","","has coordinates","292959","2024-07-05","15:26:48",""
"7248469","8.2712","0.0006","10.5654","0.0005","11.9798","0.0008","113.539","0.0018","90.16","0.002","112.747","0.0018","869.69","0.1","130","2","130","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (LT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.048","0.0406","","","0.0938","0.1003","","","","","","1.059","","","","has coordinates","292959","2024-07-05","15:26:48",""
"7248470","11.9553","0.0011","8.2563","0.0008","17.8738","0.0018","90","","101.343","0.003","90","","1729.8","0.3","130","2","130","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0688","0.0643","","","0.1311","0.1339","","","","","","1.168","","","","has coordinates","292959","2024-07-05","15:26:49",""
"7248471","11.9833","0.0005","8.277","0.0003","17.9669","0.0008","90","","101.402","0.001","90","","1746.89","0.12","150","2","150","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0459","0.0399","","","0.1014","0.1074","","","","","","1.056","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248472","11.984","0.0005","8.2774","0.0003","17.9659","0.0008","90","","101.4","0.001","90","","1746.99","0.12","150","2","150","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0462","0.041","","","0.0959","0.1004","","","","","","1.037","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248473","8.2827","0.0003","10.6032","0.0003","11.9913","0.0004","113.435","0.0008","90.043","0.0009","112.881","0.0008","875.04","0.05","150","2","150","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0504","0.0422","","","0.0967","0.1043","","","","","","1.04","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248474","11.9843","0.0004","8.2804","0.0003","18.0191","0.0006","90","","101.469","0.001","90","","1752.42","0.1","160","2","160","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0469","0.0412","","","0.0992","0.1052","","","","","","1.043","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248475","8.2845","0.0003","10.6177","0.0003","11.989","0.0004","113.302","0.0008","90.0282","0.0009","112.879","0.0009","877.41","0.05","160","2","160","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0506","0.0408","","","0.1014","0.1112","","","","","","1.053","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248476","11.9832","0.0004","8.2803","0.0003","18.0209","0.0006","90","","101.473","0.001","90","","1752.39","0.1","160","2","160","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0461","0.0398","","","0.0993","0.1061","","","","","","1.045","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248477","8.2855","0.0003","10.6479","0.0003","11.9802","0.0004","112.957","0.001","90.018","0.001","112.818","0.001","882.64","0.05","180","2","180","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0604","0.0469","","","0.1125","0.1257","","","","","","1.038","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248478","8.2838","0.0003","10.6169","0.0003","11.9887","0.0004","113.31","0.0008","90.025","0.001","112.879","0.0009","877.19","0.05","160","2","160","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.051","0.042","","","0.1038","0.1137","","","","","","1.071","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248479","11.9781","0.0004","8.2808","0.0003","18.0841","0.0007","90","","101.568","0.001","90","","1757.29","0.11","170","2","170","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0484","0.0409","","","0.1037","0.1111","","","","","","1.048","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248480","8.2847","0.0003","10.6319","0.0003","11.9834","0.0004","113.132","0.0009","90.0204","0.001","112.854","0.0009","879.77","0.05","170","2","170","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0565","0.045","","","0.1057","0.1164","","","","","","1.023","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248481","8.2852","0.0003","10.6314","0.0003","11.9844","0.0004","113.141","0.0009","90.0216","0.001","112.856","0.0009","879.77","0.05","170","2","170","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0551","0.0442","","","0.1074","0.1194","","","","","","1.055","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248482","8.2862","0.0003","10.6476","0.0003","11.9806","0.0004","112.961","0.0009","90.022","0.001","112.819","0.001","882.66","0.05","180","2","180","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0605","0.0473","","","0.1143","0.1286","","","","","","1.051","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248483","11.9739","0.0004","8.2807","0.0003","18.1504","0.0007","90","","101.666","0.001","90","","1762.48","0.11","180","2","180","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0504","0.0419","","","0.1046","0.1135","","","","","","1.051","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248484","11.9791","0.0004","8.2813","0.0003","18.0809","0.0007","90","","101.564","0.001","90","","1757.26","0.11","170","2","170","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0477","0.0412","","","0.1007","0.1083","","","","","","1.044","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248485","8.286","0.0007","10.6634","0.0007","11.9779","0.0009","112.795","0.002","90.023","0.002","112.784","0.002","885.34","0.12","190","2","190","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0635","0.0493","","","0.1195","0.1341","","","","","","1.055","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248486","8.2873","0.0004","10.7178","0.0003","11.9719","0.0005","112.29","0.0011","90.0213","0.0012","112.663","0.0012","894.47","0.06","220","2","220","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0778","0.0555","","","0.1333","0.1576","","","","","","1.046","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248487","11.9678","0.0005","8.2815","0.0004","18.3482","0.0009","90","","101.921","0.0012","90","","1779.3","0.14","210","2","210","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0583","0.046","","","0.1144","0.1281","","","","","","1.079","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248488","11.9719","0.0005","8.2815","0.0003","18.2151","0.0008","90","","101.755","0.0011","90","","1768.06","0.13","190","2","190","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0519","0.0433","","","0.1051","0.1134","","","","","","1.051","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248489","8.2864","0.0007","10.6979","0.0007","11.9743","0.001","112.477","0.002","90.024","0.003","112.708","0.003","891.07","0.12","210","2","210","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0716","0.0536","","","0.1342","0.1557","","","","","","1.075","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248490","11.9744","0.0004","8.2815","0.0003","18.1491","0.0007","90","","101.664","0.001","90","","1762.61","0.11","180","2","180","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0507","0.0429","","","0.1061","0.1144","","","","","","1.056","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248491","11.9701","0.0005","8.2817","0.0004","18.2789","0.0009","90","","101.838","0.0012","90","","1773.5","0.14","200","2","200","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0557","0.0457","","","0.11","0.1195","","","","","","1.087","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248492","8.2858","0.0004","10.6794","0.0003","11.9757","0.0005","112.64","0.0011","90.0236","0.0012","112.75","0.0012","887.97","0.06","200","2","200","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.068","0.0519","","","0.1233","0.1393","","","","","","1.076","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248493","11.9659","0.0005","8.2828","0.0004","18.427","0.0009","90","","102.019","0.0012","90","","1786.28","0.14","220","2","220","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0628","0.0477","","","0.1119","0.1258","","","","","","1.024","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248494","8.9013","0.0001","10.1017","0.0002","15.3407","0.0003","93.41","0.002","99.781","0.002","103.653","0.002","1313.79","0.04","250","0.1","250","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C28 H27 N O5.6 -","- C28 H27 N O5.6 -","- C56 H54 N2 O11.2 -","2","1","","MacLean, Ian; García, Montaña J.; Cabrera, Silvia; Marzo, Leyre; Alemán, José","Electrochemically driven green synthesis to unlock sustainable routes to β-keto spirolactones","Green Chemistry","2024","26","11","6553","6558","10.1039/D4GC01127A","","x-ray","1.54184","CuKα","","0.0827","0.0766","","","0.2364","0.243","","","","","","1.097","","","","has coordinates,has disorder","293167","2024-07-05","17:24:21",""
"7248495","10.438","0.0003","10.4738","0.0003","13.8516","0.0004","105.82","0.001","109.039","0.001","96.807","0.001","1340.97","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H32 Fe Si3 -","- C30 H32 Fe Si3 -","- C60 H64 Fe2 Si6 -","2","1","","Li, Jia; Ge, Shaozhong","Solvent-free copper-catalyzed trisilylation of alkynes: a practical and atom-economical approach for accessing 1,1,1-trisilylalkanes","Green Chemistry","2024","26","10","6032","6038","10.1039/D4GC00220B","","","0.71073","MoKα","","0.042","0.0306","","","0.0704","0.0744","","","","","","1.036","","","","has coordinates","293161","2024-07-05","17:23:13",""
"7248496","12.19","0.0006","33.234","0.0016","16.193","0.0008","90","","93.071","0.001","90","","6550.7","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(10H-phenothiazin-2-yl)(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone","","- C26 H17.67 N3 O1.33 S -","- C26 H17.6667 N3 O1.33333 S -","- C312 H212 N36 O16 S12 -","12","3","","Bhakta, Avijit; Mukhtar, Sayeed; Anwar, Saleha; Haider, Shaista; Alahmdi, Mohammed Issa; Parveen, Humaira; Alsharif, Meshari A.; Wani, Mohmmad Younus; Chakrabarty, Anindita; Hassan, Md. Imtaiyaz; Ahmed, Naseem","Design, synthesis, molecular docking and anti-proliferative activity of novel phenothiazine containing imidazo[1,2-a]pyridine derivatives against MARK4 protein","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00059E","","","0.71073","MoKα","","0.0825","0.0546","","","0.122","0.1343","","","","","","1.031","","","","has coordinates","291303","2024-04-20","01:01:40",""
"7248497","4.7256","0.0003","16.4363","0.0011","9.9536","0.0006","90","","91.715","0.006","90","","772.76","0.09","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H6 F6 N4 O2 -","- C16 H6 F6 N4 O2 -","- C32 H12 F12 N8 O4 -","2","0.5","","Yi, Heng; Zhou, Mu-Yang; Ye, Le; Lu, Xiao-Tong; Zhou, Dong-Dong; Zhang, Jie-Peng","A stable metal azolate framework with rare nonintersecting one-/two-dimensional pore channels","CrystEngComm","2024","26","19","2459","2462","10.1039/D4CE00318G","","","1.54184","CuKα","","0.0864","0.0788","","","0.1939","0.1991","","","","","","1.045","","","","has coordinates","292955","2024-07-05","15:23:48",""
"7248498","26.1617","0.0004","26.1617","0.0004","16.6663","0.0003","90","","90","","120","","9878.7","0.3","250","2","250.15","","","","","","","","","6","P 63/m c m","-P 6c 2","193","MAF-50","","","- C18 H8 F6 N4 O5 Zn2 -","- C18 H8 F6 N4 O5 Zn2 -","- C216 H96 F72 N48 O60 Zn24 -","12","0.5","","Yi, Heng; Zhou, Mu-Yang; Ye, Le; Lu, Xiao-Tong; Zhou, Dong-Dong; Zhang, Jie-Peng","A stable metal azolate framework with rare nonintersecting one-/two-dimensional pore channels","CrystEngComm","2024","26","19","2459","2462","10.1039/D4CE00318G","","","1.54184","CuKα","","0.1015","0.0891","","","0.2478","0.2666","","","","","","1.025","","","","has coordinates,has disorder","292955","2024-07-05","15:23:49",""
"7248499","13.7521","0.0002","22.0007","0.0003","13.9604","0.0002","90","","105.595","0.002","90","","4068.31","0.11","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H37 O4 P S -","- C16 H37 O4 P S -","- C128 H296 O32 P8 S8 -","8","2","","Gawraczyński, Jakub; Leszczyński, Piotr J.; Cyrański, Michał K.; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijałkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","26","20","2673","2682","10.1039/D4CE00210E","","x-ray","1.54184","CuKα","","0.071","0.063","","","0.1532","0.1594","","","","","","1.0448","","","","has coordinates,has disorder","292968","2024-07-05","15:31:50",""
"7248500","7.62801","0.00013","7.62801","0.00013","11.63","0.0003","90","","90","","90","","676.71","0.02","295","","295","","","","","","","","","5","P 42/n m c :1","P 4n 2n -1n","137","","","","- C8 H24 O4 P2 S -","- C8 H24 O4 P2 S -","- C16 H48 O8 P4 S2 -","2","0.125","","Gawraczyński, Jakub; Leszczyński, Piotr J.; Cyrański, Michał K.; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijałkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","26","20","2673","2682","10.1039/D4CE00210E","powder diffraction","x-ray","1.79031","CoKα","","0.0387","0.0349","","0.0428","0.0423","","","","1.67","","","","","","","has coordinates","292968","2024-07-05","15:31:50",""
"7248501","9.1506","0.0009","14.1196","0.0014","9.8428","0.001","90","","90.112","0.008","90","","1271.7","0.2","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H21 O4 P S -","- C8 H21 O4 P S -","- C32 H84 O16 P4 S4 -","4","1","","Gawraczyński, Jakub; Leszczyński, Piotr J.; Cyrański, Michał K.; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijałkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","26","20","2673","2682","10.1039/D4CE00210E","powder diffraction","x-ray","1.79031","CoKα","","0.055","0.0488","","0.0452","0.0444","","","","2.6088","","","","","","","has coordinates","292968","2024-07-05","15:31:50",""
"7248502","8.2712","0.0007","9.0723","0.0005","9.5156","0.0005","91.535","0.005","108.541","0.007","113.825","0.007","609.29","0.09","99.9","0.3","99.9","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C8 H21 O4 P S -","- C8 H21 O4 P S -","- C16 H42 O8 P2 S2 -","2","1","","Gawraczyński, Jakub; Leszczyński, Piotr J.; Cyrański, Michał K.; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijałkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","26","20","2673","2682","10.1039/D4CE00210E","","x-ray","1.54184","CuKα","","0.08","0.0448","","","0.236","0.117","","","","","","1.0145","","","","has coordinates","292968","2024-07-05","15:31:50",""
"7248503","9.2928","0.0002","11.3811","0.0002","20.3088","0.0004","90","","96.149","0.002","90","","2135.55","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrabutylphosphonium sulfate","","- C16 H40 O4 P2 S -","- C16 H40 O4 P2 S -","- C64 H160 O16 P8 S4 -","4","1","","Gawraczyński, Jakub; Leszczyński, Piotr J.; Cyrański, Michał K.; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijałkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","26","20","2673","2682","10.1039/D4CE00210E","","x-ray","1.54184","CuKα","","0.0373","0.0324","","","0.0814","0.0829","","","","","","1.0313","","","","has coordinates,has disorder","292968","2024-07-05","15:31:50",""
"7248504","9.2417","0.0002","7.2041","0.0001","26.6728","0.0005","90","","96.924","0.002","90","","1762.87","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H13 O4 P S -","- C4 H13 O4 P S -","- C32 H104 O32 P8 S8 -","8","2","","Gawraczyński, Jakub; Leszczyński, Piotr J.; Cyrański, Michał K.; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijałkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","26","20","2673","2682","10.1039/D4CE00210E","","x-ray","1.54184","CuKα","","0.0461","0.0345","","","0.0928","0.1025","","","","","","1.0326","","","","has coordinates","292968","2024-07-05","15:31:50",""
"7248505","14.0628","0.0003","14.5829","0.0004","21.8594","0.0006","90","","99.451","0.002","90","","4422","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H42 O5 P2 S -","- C16 H42 O5 P2 S -","- C128 H336 O40 P16 S8 -","8","2","","Gawraczyński, Jakub; Leszczyński, Piotr J.; Cyrański, Michał K.; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijałkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","26","20","2673","2682","10.1039/D4CE00210E","","x-ray","1.54184","CuKα","","0.1044","0.0809","","","0.174","0.1892","","","","","","1.064","","","","has coordinates,has disorder","292968","2024-07-05","15:31:50",""
"7248506","13.4285","0.0002","13.4285","0.0002","9.4154","0.0002","90","","90","","90","","1697.83","0.05","100","0.1","100","0.1","","","","","","","","6","I -4","I -4","82","","","","- C20 H12 Al F36 O4 P -","- C20 H12 Al F36 O4 P -","- C40 H24 Al2 F72 O8 P2 -","2","0.25","","Gawraczyński, Jakub; Leszczyński, Piotr J.; Cyrański, Michał K.; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijałkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","26","20","2673","2682","10.1039/D4CE00210E","","x-ray","1.54184","CuKα","","0.0374","0.037","","","0.0999","0.1003","","","","","","1.0428","","","","has coordinates","292968","2024-07-05","15:31:50",""
"7248507","14.5323","0.0006","14.5323","0.0006","28.7233","0.0014","90","","90","","120","","5253.3","0.4","295","","295","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C8 H20 Br P -","- C8 H20 Br P -","- C144 H360 Br18 P18 -","18","0.5","","Gawraczyński, Jakub; Leszczyński, Piotr J.; Cyrański, Michał K.; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijałkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","26","20","2673","2682","10.1039/D4CE00210E","powder diffraction","x-ray","1.78892","CoKα","","0.0675","0.0616","","0.0744","0.0736","","","","3.8867","","","","","","","has coordinates","292968","2024-07-05","15:31:50",""
"7248508","21.3719","0.0001","12.2556","0.0001","17.2118","0.0001","90","","90","","90","","4508.21","0.05","99.99","0.1","99.99","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H20 Ag2 Br3 P -","- C8 H20 Ag2 Br3 P -","- C96 H240 Ag24 Br36 P12 -","12","1.5","","Gawraczyński, Jakub; Leszczyński, Piotr J.; Cyrański, Michał K.; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijałkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","26","20","2673","2682","10.1039/D4CE00210E","","x-ray","1.54184","CuKα","","0.03","0.0296","","","0.0862","0.0866","","","","","","1.0433","","","","has coordinates,has disorder","292968","2024-07-05","15:31:50",""
"7248509","7.02188","0.00005","7.02188","0.00005","10.03217","0.00012","90","","90","","120","","428.383","0.007","295","","295","","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- C4 H12 Br P -","- C4 H12 Br P -","- C8 H24 Br2 P2 -","2","0.166667","","Gawraczyński, Jakub; Leszczyński, Piotr J.; Cyrański, Michał K.; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijałkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","26","20","2673","2682","10.1039/D4CE00210E","powder diffraction","x-ray","1.78892","CoKα","","0.0172","0.0162","","0.0192","0.0191","","","","1.6492","","","","","","","has coordinates","292968","2024-07-05","15:31:50",""
"7248510","11.911","0.004","7.52","0.003","12.479","0.005","90","","117.134","0.009","90","","994.7","0.7","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","of 2,3-bis(5-iodo-2-methylthiophen-3-yl)naphthalene-1,4-dione","","- C20 H12 I2 O2 S2 -","- C20 H12 I2 O2 S2 -","- C40 H24 I4 O4 S4 -","2","1","","Myers, Shea D.; Marr, Zoe Y.; Sency, Jade A.; Mitchell, Travis B.; Benedict, Jason B.; Patel, Dinesh G.","Crystallographic, spectroscopic, and computational characterization of a diiodonaphthoquinone diarylethene photochrome: halogen bonding and photocrystallography","CrystEngComm","2024","26","19","2510","2517","10.1039/D4CE00112E","","","0.71073","MoKα","","0.1261","0.052","","","0.1111","0.1358","","","","","","0.99","","","","has coordinates,has disorder","292957","2024-07-05","15:24:50",""
"7248511","11.9319","0.001","7.4644","0.0006","12.4586","0.001","90","","117.024","0.002","90","","988.47","0.14","296.15","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H12 I2 O2 S2 -","- C20 H12 I2 O2 S2 -","- C40 H24 I4 O4 S4 -","2","1","","Myers, Shea D.; Marr, Zoe Y.; Sency, Jade A.; Mitchell, Travis B.; Benedict, Jason B.; Patel, Dinesh G.","Crystallographic, spectroscopic, and computational characterization of a diiodonaphthoquinone diarylethene photochrome: halogen bonding and photocrystallography","CrystEngComm","2024","26","19","2510","2517","10.1039/D4CE00112E","","","0.71073","MoKα","","0.0768","0.0432","","","0.1184","0.1317","","","","","","1.106","","","","has coordinates","292957","2024-07-05","15:24:51",""
"7248512","6.8247","0.0001","15.1975","0.0003","20.6745","0.0004","90","","90","","90","","2144.33","0.07","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 N O4 -","- C25 H33 N O4 -","- C100 H132 N4 O16 -","4","1","","Yu, Jingbo; Chen, Hong; Zhang, Ziwen; Fang, Yuxin; Ying, Tao; Su, Weike","Ethanol-assisted mechanochemical asymmetric cross-dehydrogenative coupling reaction with recoverable chiral amine/NaCl for accessing chiral α-alkyl α-glycine derivatives","Green Chemistry","2024","26","11","6570","6577","10.1039/D4GC00947A","","","1.54178","CuKα","","0.0464","0.0407","","","0.1041","0.1077","","","","","","1.032","","","","has coordinates","293171","2024-07-05","17:25:08",""
"7248513","10.4218","0.0004","10.9812","0.0004","12.6764","0.0004","104.684","0.001","97.921","0.001","100.105","0.001","1356.04","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H60 Cl2 Co3 N4 O27 -","- C44 H60 Cl2 Co3 N4 O27 -","- C44 H60 Cl2 Co3 N4 O27 -","1","0.5","","Maity, Sovana; Bhunia, Sudip; Drew, Michael G. B.; Gomila, Rosa M.; Frontera, Antonio; Chattopadhyay, Shouvik","Formation of H-bonding networks in the solid state structure of a trinuclear cobalt(iii/ii/iii) complex with N2O2 donor Schiff base ligand and glutaric acid as bridging co-ligand: synthesis, structure and DFT study","RSC Advances","2024","14","19","13200","13208","10.1039/D3RA07697K","","","0.71073","MoKα","","0.0471","0.0424","","","0.1071","0.1101","","","","","","1.293","","","","has coordinates,has disorder","291343","2024-04-24","01:02:14",""
"7248514","10.5977","0.0005","10.9118","0.0005","11.3038","0.0005","70.094","0.002","79.697","0.002","80.099","0.002","1200.51","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 N3 O2 Pt -","- C27 H29 N3 O2 Pt -","- C54 H58 N6 O4 Pt2 -","2","1","","Thakur, Vasudha; Thomas, Jisha Mary; Adnan, Mohammad; Sivasankar, Chinnappan; Vijaya Prakash, G.; Thirupathi, Natesan","Syntheses, structural, photophysical and theoretical studies of heteroleptic cycloplatinated guanidinate(1−) complexes bearing acetylacetonate and picolinate ancillary ligands","RSC Advances","2024","14","19","13291","13305","10.1039/D4RA00828F","","","0.71073","MoKα","","0.0139","0.0126","","","0.031","0.0316","","","","","","1.03","","","","has coordinates","291344","2024-04-24","01:03:01",""
"7248515","9.8997","0.0003","13.5956","0.0004","18.9893","0.0005","90","","99.627","0.002","90","","2519.82","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Br3 N3 O2 Pt -","- C24 H20 Br3 N3 O2 Pt -","- C96 H80 Br12 N12 O8 Pt4 -","4","1","","Thakur, Vasudha; Thomas, Jisha Mary; Adnan, Mohammad; Sivasankar, Chinnappan; Vijaya Prakash, G.; Thirupathi, Natesan","Syntheses, structural, photophysical and theoretical studies of heteroleptic cycloplatinated guanidinate(1−) complexes bearing acetylacetonate and picolinate ancillary ligands","RSC Advances","2024","14","19","13291","13305","10.1039/D4RA00828F","","","0.71073","MoKα","","0.1424","0.069","","","0.1604","0.2107","","","","","","0.932","","","","has coordinates","291344","2024-04-24","01:03:02",""
"7248516","23.563","0.0005","5.2983","0.0001","18.4229","0.0003","90","","90","","90","","2299.99","0.08","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H20 F3 N3 O2 Pt -","- C24 H20 F3 N3 O2 Pt -","- C96 H80 F12 N12 O8 Pt4 -","4","1","","Thakur, Vasudha; Thomas, Jisha Mary; Adnan, Mohammad; Sivasankar, Chinnappan; Vijaya Prakash, G.; Thirupathi, Natesan","Syntheses, structural, photophysical and theoretical studies of heteroleptic cycloplatinated guanidinate(1−) complexes bearing acetylacetonate and picolinate ancillary ligands","RSC Advances","2024","14","19","13291","13305","10.1039/D4RA00828F","","","0.71073","MoKα","","0.0385","0.0357","","","0.0796","0.0813","","","","","","1.079","","","","has coordinates,has disorder","291344","2024-04-24","01:03:02",""
"7248517","10.8336","0.0005","10.9407","0.0006","12.9074","0.0005","75.575","0.004","88.599","0.004","70.372","0.004","1392.61","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H35 N3 O2 Pt -","- C30 H35 N3 O2 Pt -","- C60 H70 N6 O4 Pt2 -","2","1","","Thakur, Vasudha; Thomas, Jisha Mary; Adnan, Mohammad; Sivasankar, Chinnappan; Vijaya Prakash, G.; Thirupathi, Natesan","Syntheses, structural, photophysical and theoretical studies of heteroleptic cycloplatinated guanidinate(1−) complexes bearing acetylacetonate and picolinate ancillary ligands","RSC Advances","2024","14","19","13291","13305","10.1039/D4RA00828F","","","0.71073","MoKα","","0.0649","0.0486","","","0.1007","0.1093","","","","","","1.049","","","","has coordinates","291344","2024-04-24","01:03:02",""
"7248518","9.6602","0.0003","13.4897","0.0004","18.9814","0.0006","90","","99.169","0.003","90","","2441.92","0.13","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Cl3 N3 O2 Pt -","- C24 H20 Cl3 N3 O2 Pt -","- C96 H80 Cl12 N12 O8 Pt4 -","4","1","","Thakur, Vasudha; Thomas, Jisha Mary; Adnan, Mohammad; Sivasankar, Chinnappan; Vijaya Prakash, G.; Thirupathi, Natesan","Syntheses, structural, photophysical and theoretical studies of heteroleptic cycloplatinated guanidinate(1−) complexes bearing acetylacetonate and picolinate ancillary ligands","RSC Advances","2024","14","19","13291","13305","10.1039/D4RA00828F","","","0.71073","MoKα","","0.0632","0.046","","","0.1063","0.1141","","","","","","1.049","","","","has coordinates","291344","2024-04-24","01:03:02",""
"7248519","10.2195","0.0004","10.2608","0.0005","21.3421","0.0008","90","","90.459","0.003","90","","2237.87","0.16","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 F3 N3 O2 Pt -","- C24 H20 F3 N3 O2 Pt -","- C96 H80 F12 N12 O8 Pt4 -","4","1","","Thakur, Vasudha; Thomas, Jisha Mary; Adnan, Mohammad; Sivasankar, Chinnappan; Vijaya Prakash, G.; Thirupathi, Natesan","Syntheses, structural, photophysical and theoretical studies of heteroleptic cycloplatinated guanidinate(1−) complexes bearing acetylacetonate and picolinate ancillary ligands","RSC Advances","2024","14","19","13291","13305","10.1039/D4RA00828F","","","0.71073","MoKα","","0.0473","0.0387","","","0.0844","0.0899","","","","","","1.095","","","","has coordinates","291344","2024-04-24","01:03:02",""
"7248520","9.9894","0.0003","22.7931","0.0007","11.6752","0.0003","90","","93.968","0.003","90","","2651.95","0.13","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N4 O5 Pt -","- C28 H26 N4 O5 Pt -","- C112 H104 N16 O20 Pt4 -","4","1","","Thakur, Vasudha; Thomas, Jisha Mary; Adnan, Mohammad; Sivasankar, Chinnappan; Vijaya Prakash, G.; Thirupathi, Natesan","Syntheses, structural, photophysical and theoretical studies of heteroleptic cycloplatinated guanidinate(1−) complexes bearing acetylacetonate and picolinate ancillary ligands","RSC Advances","2024","14","19","13291","13305","10.1039/D4RA00828F","","","0.71073","MoKα","","0.047","0.0401","","","0.0708","0.0731","","","","","","1.195","","","","has coordinates","291344","2024-04-24","01:03:03",""
"7248521","12.4667","0.0005","13.3851","0.0007","18.9089","0.0006","93.304","0.003","98.761","0.003","104.327","0.004","3006.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C63.25 H74 N6 O4 Pt2 -","- C63.25 H74 N6 O4 Pt2 -","- C126.5 H148 N12 O8 Pt4 -","2","1","","Thakur, Vasudha; Thomas, Jisha Mary; Adnan, Mohammad; Sivasankar, Chinnappan; Vijaya Prakash, G.; Thirupathi, Natesan","Syntheses, structural, photophysical and theoretical studies of heteroleptic cycloplatinated guanidinate(1−) complexes bearing acetylacetonate and picolinate ancillary ligands","RSC Advances","2024","14","19","13291","13305","10.1039/D4RA00828F","","","0.71073","MoKα","","0.1412","0.0672","","","0.0903","0.1135","","","","","","0.97","","","","has coordinates,has disorder","291344","2024-04-24","01:03:03",""
"7248522","11.0129","0.0007","11.7585","0.0008","20.8975","0.0011","105.026","0.005","96.671","0.005","95.534","0.005","2573.2","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 N3 O2 Pt -","- C27 H29 N3 O2 Pt -","- C108 H116 N12 O8 Pt4 -","4","2","","Thakur, Vasudha; Thomas, Jisha Mary; Adnan, Mohammad; Sivasankar, Chinnappan; Vijaya Prakash, G.; Thirupathi, Natesan","Syntheses, structural, photophysical and theoretical studies of heteroleptic cycloplatinated guanidinate(1−) complexes bearing acetylacetonate and picolinate ancillary ligands","RSC Advances","2024","14","19","13291","13305","10.1039/D4RA00828F","","","0.71073","MoKα","","0.1699","0.0761","","","0.0841","0.1056","","","","","","0.98","","","","has coordinates","291344","2024-04-24","01:03:03",""
"7248523","17.3426","0.0003","9.3673","0.0001","15.5652","0.0003","90","","110.316","0.002","90","","2371.32","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Ce O12 -","- C24 H24 Ce O12 -","- C96 H96 Ce4 O48 -","4","1","","Guan, Ming-Xue; Li, Hui-Zi; Li, Shangda; Yang, Han-Jiang; Wang, Fei; Zhang, Jian","Syntheses, crystal structures and properties of a series of isostructural lanthanide organic frameworks","CrystEngComm","2024","26","21","2770","2774","10.1039/D4CE00292J","","x-ray","1.3405","GaKα","","0.0366","0.0298","","","0.0725","0.0757","","","","","","1.046","","","","has coordinates","292985","2024-07-05","15:36:37",""
"7248524","17.2951","0.0005","9.2984","0.0002","15.4981","0.0004","90","","111.988","0.003","90","","2311.07","0.11","297.03","0.1","297.03","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Gd O12 -","- C24 H24 Gd O12 -","- C96 H96 Gd4 O48 -","4","1","","Guan, Ming-Xue; Li, Hui-Zi; Li, Shangda; Yang, Han-Jiang; Wang, Fei; Zhang, Jian","Syntheses, crystal structures and properties of a series of isostructural lanthanide organic frameworks","CrystEngComm","2024","26","21","2770","2774","10.1039/D4CE00292J","","x-ray","0.71073","MoKα","","0.0441","0.0305","","","0.0655","0.071","","","","","","1.06","","","","has coordinates","292985","2024-07-05","15:36:38",""
"7248525","17.4448","0.0004","9.2686","0.0002","15.5561","0.0005","90","","112.084","0.003","90","","2330.71","0.12","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 O12 Pr -","- C24 H24 O12 Pr -","- C96 H96 O48 Pr4 -","4","1","","Guan, Ming-Xue; Li, Hui-Zi; Li, Shangda; Yang, Han-Jiang; Wang, Fei; Zhang, Jian","Syntheses, crystal structures and properties of a series of isostructural lanthanide organic frameworks","CrystEngComm","2024","26","21","2770","2774","10.1039/D4CE00292J","","x-ray","0.71073","MoKα","","0.0397","0.0325","","","0.0829","0.0872","","","","","","1.028","","","","has coordinates","292985","2024-07-05","15:36:38",""
"7248526","17.2906","0.0007","9.2222","0.0002","15.3769","0.0006","90","","112.651","0.004","90","","2262.83","0.15","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Dy O12 -","- C24 H24 Dy O12 -","- C96 H96 Dy4 O48 -","4","1","","Guan, Ming-Xue; Li, Hui-Zi; Li, Shangda; Yang, Han-Jiang; Wang, Fei; Zhang, Jian","Syntheses, crystal structures and properties of a series of isostructural lanthanide organic frameworks","CrystEngComm","2024","26","21","2770","2774","10.1039/D4CE00292J","","x-ray","0.71073","MoKα","","0.0355","0.0262","","","0.0599","0.0644","","","","","","1.038","","","","has coordinates","292985","2024-07-05","15:36:38",""
"7248527","17.3235","0.0007","9.227","0.0003","15.4275","0.0006","90","","112.661","0.005","90","","2275.62","0.17","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 O12 Tb -","- C24 H24 O12 Tb -","- C96 H96 O48 Tb4 -","4","1","","Guan, Ming-Xue; Li, Hui-Zi; Li, Shangda; Yang, Han-Jiang; Wang, Fei; Zhang, Jian","Syntheses, crystal structures and properties of a series of isostructural lanthanide organic frameworks","CrystEngComm","2024","26","21","2770","2774","10.1039/D4CE00292J","","x-ray","0.71073","MoKα","","0.039","0.0263","","","0.0555","0.0583","","","","","","1.051","","","","has coordinates","292985","2024-07-05","15:36:38",""
"7248528","17.4259","0.0003","9.2729","0.0001","15.48","0.0003","90","","112.308","0.002","90","","2314.18","0.07","100","0.3","100","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Nd O12 -","- C24 H24 Nd O12 -","- C96 H96 Nd4 O48 -","4","1","","Guan, Ming-Xue; Li, Hui-Zi; Li, Shangda; Yang, Han-Jiang; Wang, Fei; Zhang, Jian","Syntheses, crystal structures and properties of a series of isostructural lanthanide organic frameworks","CrystEngComm","2024","26","21","2770","2774","10.1039/D4CE00292J","","x-ray","1.3405","GaKα","","0.0418","0.0382","","","0.1051","0.1081","","","","","","0.997","","","","has coordinates","292985","2024-07-05","15:36:38",""
"7248529","17.2995","0.0003","9.3193","0.0001","15.4902","0.0002","90","","111.9","0.002","90","","2317.1","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Eu O12 -","- C24 H24 Eu O12 -","- C96 H96 Eu4 O48 -","4","1","","Guan, Ming-Xue; Li, Hui-Zi; Li, Shangda; Yang, Han-Jiang; Wang, Fei; Zhang, Jian","Syntheses, crystal structures and properties of a series of isostructural lanthanide organic frameworks","CrystEngComm","2024","26","21","2770","2774","10.1039/D4CE00292J","","x-ray","1.3405","GaKα","","0.0397","0.0337","","","0.0873","0.0899","","","","","","1.121","","","","has coordinates","292985","2024-07-05","15:36:38",""
"7248530","17.2512","0.0004","9.2096","0.0002","15.3351","0.0004","90","","112.636","0.003","90","","2248.71","0.1","100","0.4","100","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Ho O12 -","- C24 H24 Ho O12 -","- C96 H96 Ho4 O48 -","4","1","","Guan, Ming-Xue; Li, Hui-Zi; Li, Shangda; Yang, Han-Jiang; Wang, Fei; Zhang, Jian","Syntheses, crystal structures and properties of a series of isostructural lanthanide organic frameworks","CrystEngComm","2024","26","21","2770","2774","10.1039/D4CE00292J","","x-ray","1.3405","GaKα","","0.0486","0.0409","","","0.113","0.1192","","","","","","1.035","","","","has coordinates","292985","2024-07-05","15:36:38",""
"7248531","17.3836","0.0003","9.244","0.0001","15.4813","0.0003","90","","112.62","0.002","90","","2296.38","0.07","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 O12 Sm -","- C24 H24 O12 Sm -","- C96 H96 O48 Sm4 -","4","1","","Guan, Ming-Xue; Li, Hui-Zi; Li, Shangda; Yang, Han-Jiang; Wang, Fei; Zhang, Jian","Syntheses, crystal structures and properties of a series of isostructural lanthanide organic frameworks","CrystEngComm","2024","26","21","2770","2774","10.1039/D4CE00292J","","x-ray","1.3405","GaKα","","0.0353","0.0277","","","0.066","0.0693","","","","","","1.035","","","","has coordinates","292985","2024-07-05","15:36:38",""
"7248532","18.4944","0.0008","23.2557","0.0011","5.4935","0.0002","90","","90","","90","","2362.76","0.17","170","","170","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C26 H33 N O8 -","- C26 H33 N O8 -","- C104 H132 N4 O32 -","4","1","","Tian, Fanyu; Xia, Mengyuan; Wang, Hao; Zhang, Bingrui; Ding, Zhenfeng; Rong, Xiaoyi; Zhu, Bingqing; Mei, Xuefeng","New solid forms of tetrahydrocurcumin with improved solubility","CrystEngComm","2024","26","24","3232","3239","10.1039/D4CE00259H","","","0.71073","MoKα","","0.0909","0.0516","","","0.1026","0.1215","","","","","","1.081","","","","has coordinates","292938","2024-07-05","15:18:01",""
"7248533","13.421","0.005","6.843","0.003","14.762","0.004","90","","101.98","0.012","90","","1326.2","0.8","170","","170","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C31 H32 N2 O6 -","- C31 H32 N2 O6 -","- C62 H64 N4 O12 -","2","0.5","","Tian, Fanyu; Xia, Mengyuan; Wang, Hao; Zhang, Bingrui; Ding, Zhenfeng; Rong, Xiaoyi; Zhu, Bingqing; Mei, Xuefeng","New solid forms of tetrahydrocurcumin with improved solubility","CrystEngComm","2024","26","24","3232","3239","10.1039/D4CE00259H","","","0.71073","MoKα","","0.1214","0.0719","","","0.1621","0.1985","","","","","","1.063","","","","has coordinates,has disorder","292938","2024-07-05","15:18:01",""
"7248534","18.37","0.004","23.19","0.008","5.466","0.0016","90","","90","","90","","2328.5","1.2","100","","100","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C26 H33 N O8 -","- C26 H33 N O8 -","- C104 H132 N4 O32 -","4","1","","Tian, Fanyu; Xia, Mengyuan; Wang, Hao; Zhang, Bingrui; Ding, Zhenfeng; Rong, Xiaoyi; Zhu, Bingqing; Mei, Xuefeng","New solid forms of tetrahydrocurcumin with improved solubility","CrystEngComm","2024","26","24","3232","3239","10.1039/D4CE00259H","","","0.71073","MoKα","","0.1097","0.0657","","","0.1361","0.1592","","","","","","1.06","","","","has coordinates","292938","2024-07-05","15:18:01",""
"7248535","20.106","0.004","5.4996","0.001","23.399","0.005","90","","114.231","0.005","90","","2359.4","0.8","170","","170","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C26 H33 N O8 -","- C26 H33 N O8 -","- C104 H132 N4 O32 -","4","1","","Tian, Fanyu; Xia, Mengyuan; Wang, Hao; Zhang, Bingrui; Ding, Zhenfeng; Rong, Xiaoyi; Zhu, Bingqing; Mei, Xuefeng","New solid forms of tetrahydrocurcumin with improved solubility","CrystEngComm","2024","26","24","3232","3239","10.1039/D4CE00259H","","","0.71073","MoKα","","0.1541","0.0993","","","0.1837","0.2087","","","","","","1.09","","","","has coordinates,has disorder","292938","2024-07-05","15:18:01",""
"7248536","15.254","0.003","7.9952","0.0014","20.5","0.003","90","","96.512","0.005","90","","2484","0.7","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H35 N O8 -","- C26 H35 N O8 -","- C104 H140 N4 O32 -","4","1","","Tian, Fanyu; Xia, Mengyuan; Wang, Hao; Zhang, Bingrui; Ding, Zhenfeng; Rong, Xiaoyi; Zhu, Bingqing; Mei, Xuefeng","New solid forms of tetrahydrocurcumin with improved solubility","CrystEngComm","2024","26","24","3232","3239","10.1039/D4CE00259H","","","0.71073","MoKα","","0.1791","0.0871","","","0.1623","0.2048","","","","","","1.039","","","","has coordinates","292938","2024-07-05","15:18:01",""
"7248537","10.1548","0.0004","13.1857","0.0005","17.8205","0.0007","90","","99.4068","0.0013","90","","2354.05","0.16","180","","180","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","phenoxathiin derivative","","- C25 H33.87 O4 S -","- C25 H33.87 O4 S -","- C100 H135.48 O16 S4 -","4","1","","Mamleev, Kamil; Čejka, Jan; Eigner, Václav; Krupička, Martin; Dvořáková, Hana; Lhoták, Pavel","Reactivity of phenoxathiin-based thiacalixarenes towards C-nucleophiles","RSC Advances","2024","14","19","13463","13473","10.1039/D4RA02524E","","","1.5418","CuKα","","0.0374","0.0369","","0.1038","0.1032","0.1038","","","","","","1.0017","","","","has coordinates,has disorder","291362","2024-04-26","01:05:16",""
"7248538","5.9326","0.0003","16.612","0.0009","26.1176","0.0014","90","","91.059","0.003","90","","2573.5","0.2","180","","180","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,3,6,8-Tetra-tert-butyl-4-methoxydibenzofuran","","- C29 H42 O2 -","- C29 H42 O2 -","- C116 H168 O8 -","4","1","","Mamleev, Kamil; Čejka, Jan; Eigner, Václav; Krupička, Martin; Dvořáková, Hana; Lhoták, Pavel","Reactivity of phenoxathiin-based thiacalixarenes towards C-nucleophiles","RSC Advances","2024","14","19","13463","13473","10.1039/D4RA02524E","","","1.5418","CuKα","","0.0605","0.0525","","0.1486","0.1394","0.1486","","","","","","1","","","","has coordinates","291362","2024-04-26","01:05:17",""
"7248539","11.7442","0.0004","14.1049","0.0005","15.542","0.0006","63.69","0.0012","70.5333","0.0014","73.0289","0.0013","2144.02","0.14","180","","180","","","","101","","","","","4","P -1","-P 1","2","","","","- C43 H54 O10 S3 -","- C43 H54 O10 S3 -","- C86 H108 O20 S6 -","2","1","","Mamleev, Kamil; Čejka, Jan; Eigner, Václav; Krupička, Martin; Dvořáková, Hana; Lhoták, Pavel","Reactivity of phenoxathiin-based thiacalixarenes towards C-nucleophiles","RSC Advances","2024","14","19","13463","13473","10.1039/D4RA02524E","","","0.71073","MoKα","","0.059","0.0507","","0.1597","0.1447","0.1597","","","","","","0.9601","","","","has coordinates","291362","2024-04-26","01:05:17",""
"7248540","10.46238","0.00007","26.51526","0.00017","9.96612","0.00008","90","","101.307","0.0007","90","","2711.07","0.03","95","","95","","","","101","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H42 O4 S -","- C29 H42 O4 S -","- C116 H168 O16 S4 -","4","1","","Mamleev, Kamil; Čejka, Jan; Eigner, Václav; Krupička, Martin; Dvořáková, Hana; Lhoták, Pavel","Reactivity of phenoxathiin-based thiacalixarenes towards C-nucleophiles","RSC Advances","2024","14","19","13463","13473","10.1039/D4RA02524E","","","1.54184","CuKα","","0.0333","0.0319","","0.0869","0.0854","0.0869","","","","","","0.9837","","","","has coordinates","291362","2024-04-26","01:05:17",""
"7248541","11.9907","0.00012","11.76474","0.00011","21.924","0.0003","90","","102.934","0.0011","90","","3014.29","0.06","120","","120","","","","101","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 O3 S -","- C38 H36 O3 S -","- C152 H144 O12 S4 -","4","1","","Mamleev, Kamil; Čejka, Jan; Eigner, Václav; Krupička, Martin; Dvořáková, Hana; Lhoták, Pavel","Reactivity of phenoxathiin-based thiacalixarenes towards C-nucleophiles","RSC Advances","2024","14","19","13463","13473","10.1039/D4RA02524E","","","1.54184","CuKα","","0.0348","0.0327","","0.0923","0.0898","0.0923","","","","","","0.9799","","","","has coordinates","291362","2024-04-26","01:05:17",""
"7248542","15.7249","0.0004","14.5795","0.0004","18.6923","0.0005","90","","91.5925","0.0012","90","","4283.8","0.2","260","","260","","","","101","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H54 O10 S3 -","- C43 H54 O10 S3 -","- C172 H216 O40 S12 -","4","1","","Mamleev, Kamil; Čejka, Jan; Eigner, Václav; Krupička, Martin; Dvořáková, Hana; Lhoták, Pavel","Reactivity of phenoxathiin-based thiacalixarenes towards C-nucleophiles","RSC Advances","2024","14","19","13463","13473","10.1039/D4RA02524E","","","1.54178","CuKα","","0.0495","0.0472","","0.1406","0.1357","0.1406","","","","","","0.9659","","","","has coordinates,has disorder","291362","2024-04-26","01:05:17",""
"7248543","21.367","0.0013","9.5552","0.0006","25.775","0.0015","90","","100.165","0.003","90","","5179.8","0.5","180","","180","","","","101","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H64 Cl2 O12 S4 -","- C48 H64 Cl2 O12 S4 -","- C192 H256 Cl8 O48 S16 -","4","1","","Mamleev, Kamil; Čejka, Jan; Eigner, Václav; Krupička, Martin; Dvořáková, Hana; Lhoták, Pavel","Reactivity of phenoxathiin-based thiacalixarenes towards C-nucleophiles","RSC Advances","2024","14","19","13463","13473","10.1039/D4RA02524E","","","1.5418","CuKα","","0.0945","0.0901","","0.2637","0.2577","0.2637","","","","","","0.9993","","","","has coordinates,has disorder","291362","2024-04-26","01:05:17",""
"7248544","9.4024","0.0003","6.9264","0.0002","19.9477","0.0006","90","","100.097","0.001","90","","1278.97","0.07","297","2","297","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C17 H17 I4 N5 O3 S -","- C17 H17 I4 N5 O3 S -","- C34 H34 I8 N10 O6 S2 -","2","0.5","","Mohammed Hashim, K. K.; Manoj, E.","Aminoguanidine-based bioactive proligand as AIEE probe for anticancer and anticovid studies","RSC Advances","2024","14","19","13654","13668","10.1039/D4RA00554F","","","0.71073","MoKα","","0.0569","0.0394","","","0.0819","0.0888","","","","","","1.107","","","","has coordinates","291363","2024-04-26","01:05:40",""
"7248545","7.6976","0.0005","7.8986","0.0005","10.982","0.0007","108.974","0.003","90.541","0.003","114.662","0.003","565.59","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Co N6 O8 -","- C24 H20 Co N6 O8 -","- C24 H20 Co N6 O8 -","1","0.5","","Paul, Anup; Gusmão, Filipe; Mahmoud, Abdallah G.; Hazra, Susanta; Rakočević, Lazar; Šljukić, Biljana; Khan, Rais Ahmad; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Catalyzing towards clean energy: tuning the oxygen evolution reaction by amide-functionalized Co(ii) and Ni(ii) pristine coordination polymers","CrystEngComm","2024","26","21","2755","2764","10.1039/D4CE00179F","","","0.71073","MoKα","","0.0238","0.0218","","","0.0574","0.0588","","","","","","1.118","","","","has coordinates","292989","2024-07-05","15:37:22",""
"7248546","7.6921","0.0002","7.8232","0.0002","10.9612","0.0003","108.519","0.001","90.398","0.001","114.647","0.001","560.99","0.03","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N6 Ni O8 -","- C24 H20 N6 Ni O8 -","- C24 H20 N6 Ni O8 -","1","0.5","","Paul, Anup; Gusmão, Filipe; Mahmoud, Abdallah G.; Hazra, Susanta; Rakočević, Lazar; Šljukić, Biljana; Khan, Rais Ahmad; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Catalyzing towards clean energy: tuning the oxygen evolution reaction by amide-functionalized Co(ii) and Ni(ii) pristine coordination polymers","CrystEngComm","2024","26","21","2755","2764","10.1039/D4CE00179F","","","0.71073","MoKα","","0.0289","0.0241","","","0.0614","0.0637","","","","","","1.063","","","","has coordinates","292989","2024-07-05","15:37:22",""
"7248547","25.653","0.016","38.97","0.02","8.972","0.006","90","","90","","90","","8969","9","273","2","273","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C16 H23 Cl N2 O8 Zn2 -","- C16 H23 Cl N2 O8 Zn2 -","- C256 H368 Cl16 N32 O128 Zn32 -","16","1","","Middya, Puspendu; Frontera, Antonio; Chattopadhyay, Shouvik","The crucial role of hydrogen bonding in shaping the structures of zinc-based coordination polymers using tridentate N, N, O donor reduced Schiff base ligands and bridging acetates","RSC Advances","2024","14","20","13905","13914","10.1039/D4RA00550C","","","0.71073","MoKα","","0.0441","0.0378","","","0.1044","0.1158","","","","","","1.129","","","","has coordinates","291376","2024-04-27","01:07:51",""
"7248548","14.662","0.008","16.055","0.009","21.525","0.013","90","","90","","90","","5067","5","293","2","293","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C17 H24 Br2 N2 O7 Zn2 -","- C17 H24 Br2 N2 O7 Zn2 -","- C136 H192 Br16 N16 O56 Zn16 -","8","1","","Middya, Puspendu; Frontera, Antonio; Chattopadhyay, Shouvik","The crucial role of hydrogen bonding in shaping the structures of zinc-based coordination polymers using tridentate N, N, O donor reduced Schiff base ligands and bridging acetates","RSC Advances","2024","14","20","13905","13914","10.1039/D4RA00550C","","","0.71073","MoKα","","0.0476","0.0359","","","0.1029","0.1134","","","","","","0.959","","","","has coordinates","291376","2024-04-27","01:07:52",""
"7248549","10.606","0.01","18.313","0.016","10.75","0.01","90","","106.717","0.012","90","","2000","3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","pent-3-yn-1-yltriphenylphosphonium iodide","","- C23 H22 I P -","- C23 H22 I P -","- C92 H88 I4 P4 -","4","1","","Donnecke, Sofia; Paul, Mathias; Williams, Peter J. H.; Chan, Serena; Tse, Veronica; Sachdeva, Jigyasa; Oliver, Allen G.; McIndoe, J. Scott; Paci, Irina","Mechanistic study of the atomic layer deposition of cobalt: a combined mass spectrometric and computational approach.","Physical chemistry chemical physics : PCCP","2024","26","19","14448","14455","10.1039/d4cp00093e","","","0.71073","MoKα","","0.0293","0.0222","","","0.046","0.0486","","","","","","1.043","","","","has coordinates","293290","2024-07-05","18:07:59",""
"7248550","11.1886","0.0011","17.4838","0.0016","11.8098","0.0011","90","","107.462","0.001","90","","2203.8","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","pent-3-yn-1-yltriphenylphosphonium hexafluorophosphate","","- C23 H22 F6 P2 -","- C23 H22 F6 P2 -","- C92 H88 F24 P8 -","4","1","","Donnecke, Sofia; Paul, Mathias; Williams, Peter J. H.; Chan, Serena; Tse, Veronica; Sachdeva, Jigyasa; Oliver, Allen G.; McIndoe, J. Scott; Paci, Irina","Mechanistic study of the atomic layer deposition of cobalt: a combined mass spectrometric and computational approach.","Physical chemistry chemical physics : PCCP","2024","26","19","14448","14455","10.1039/d4cp00093e","","","0.71073","MoKα","","0.052","0.0446","","","0.1116","0.1161","","","","","","1.053","","","","has coordinates,has disorder","293290","2024-07-05","18:07:59",""
"7248551","8.7312","0.0002","9.7117","0.0002","9.9811","0.0002","116.628","0.002","99.297","0.002","100.912","0.002","713.03","0.03","113.15","","113.15","","","","","","","","","4","P -1","-P 1","2","","Dimethyl 4-aminoisophthalate, 1,2,4,5-tetracyanobenzene","","- C15 H12 N3 O4 -","- C15 H12 N3 O4 -","- C30 H24 N6 O8 -","2","1","","Zhang, Xiaokai; Li, Zhonghua; Han, Rui; Lin, Jiawei; Li, Maolin; Zhou, Jianmin; Wu, Songgu; Gong, Junbo","Modulation of luminescence properties of cocrystals composed of amino substituted dimethyl phthalates and 1,2,4,5-tetracyanobenzene by crystal engineering","CrystEngComm","2024","26","22","2976","2988","10.1039/D4CE00218K","","x-ray","0.71073","MoKα","","0.0573","0.049","","","0.1337","0.1414","","","","","","1.075","","","","has coordinates","292942","2024-07-05","15:18:50",""
"7248552","10.0548","0.0005","7.1932","0.0004","14.2783","0.0008","90","","108.473","0.005","90","","979.48","0.1","113.15","","113.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C40 H44 N4 O16 -","4","1","","Zhang, Xiaokai; Li, Zhonghua; Han, Rui; Lin, Jiawei; Li, Maolin; Zhou, Jianmin; Wu, Songgu; Gong, Junbo","Modulation of luminescence properties of cocrystals composed of amino substituted dimethyl phthalates and 1,2,4,5-tetracyanobenzene by crystal engineering","CrystEngComm","2024","26","22","2976","2988","10.1039/D4CE00218K","","x-ray","0.71073","MoKα","","0.0755","0.0558","","","0.1475","0.1628","","","","","","1.041","","","","has coordinates","292942","2024-07-05","15:18:50",""
"7248553","6.5102","0.0002","7.1433","0.0002","9.9181","0.0002","95.079","0.002","90.432","0.002","97.825","0.002","455.06","0.02","119.99","0.1","119.99","0.1","","","","","","","","4","P 1","P 1","1","","Dimethyl aminoterephthalate, 1,2,4,5-tetracyanobenzene","","- C20 H13 N5 O4 -","- C20 H13 N5 O4 -","- C20 H13 N5 O4 -","1","1","","Zhang, Xiaokai; Li, Zhonghua; Han, Rui; Lin, Jiawei; Li, Maolin; Zhou, Jianmin; Wu, Songgu; Gong, Junbo","Modulation of luminescence properties of cocrystals composed of amino substituted dimethyl phthalates and 1,2,4,5-tetracyanobenzene by crystal engineering","CrystEngComm","2024","26","22","2976","2988","10.1039/D4CE00218K","","x-ray","0.71073","MoKα","","0.0459","0.0386","","","0.0929","0.0983","","","","","","1.051","","","","has coordinates,has disorder","292942","2024-07-05","15:18:50",""
"7248554","6.7011","0.0002","9.6663","0.0002","11.8016","0.0003","100.928","0.002","98.038","0.002","106.164","0.002","705.72","0.03","113.15","","113.15","","","","","","","","","4","P -1","-P 1","2","","Dimethyl aminoterephthalate,1,2,4,5-tetracyanobenzene","","- C30 H24 N6 O8 -","- C30 H24 N6 O8 -","- C30 H24 N6 O8 -","1","0.5","","Zhang, Xiaokai; Li, Zhonghua; Han, Rui; Lin, Jiawei; Li, Maolin; Zhou, Jianmin; Wu, Songgu; Gong, Junbo","Modulation of luminescence properties of cocrystals composed of amino substituted dimethyl phthalates and 1,2,4,5-tetracyanobenzene by crystal engineering","CrystEngComm","2024","26","22","2976","2988","10.1039/D4CE00218K","","x-ray","0.71073","MoKα","","0.0816","0.0591","","","0.1569","0.1741","","","","","","1.048","","","","has coordinates","292942","2024-07-05","15:18:50",""
"7248555","7.6502","0.0003","22.7523","0.0007","18.216","0.0005","90","","101.461","0.003","90","","3107.45","0.18","113.15","","113.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","dimethyl 5-aminoisophthalate, 1,2,4,5-tetracyanobenzene","","- C30 H24 N6 O8 -","- C30 H24 N6 O8 -","- C120 H96 N24 O32 -","4","1","","Zhang, Xiaokai; Li, Zhonghua; Han, Rui; Lin, Jiawei; Li, Maolin; Zhou, Jianmin; Wu, Songgu; Gong, Junbo","Modulation of luminescence properties of cocrystals composed of amino substituted dimethyl phthalates and 1,2,4,5-tetracyanobenzene by crystal engineering","CrystEngComm","2024","26","22","2976","2988","10.1039/D4CE00218K","","x-ray","0.71073","MoKα","","0.1184","0.0891","","","0.2337","0.2585","","","","","","1.035","","","","has coordinates","292942","2024-07-05","15:18:50",""
"7248556","15.184","0.0002","6.1146","0.0001","15.368","0.0003","90","","116.952","0.002","90","","1271.86","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Cl N S2 -","- C12 H14 Cl N S2 -","- C48 H56 Cl4 N4 S8 -","4","1","","Yeo, Chien Ing; Kwong, Huey Chong; Tan, Sang Loon; Tiekink, Edward R. T.","Variable non-covalent interactions in the crystals of a series of 4-Y-benzyl pyrrolidine-1-carbodithioates: Y = Cl, Br, I, Me and NO2","CrystEngComm","2024","26","20","2711","2722","10.1039/D4CE00158C","","","1.54178","CuKα","","0.0234","0.0221","","","0.0565","0.0575","","","","","","1.031","","","","has coordinates,has disorder","292970","2024-07-05","15:32:39",""
"7248557","13.9471","0.0005","11.0713","0.0003","8.2857","0.0003","90","","90","","90","","1279.42","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 N2 O2 S2 -","- C12 H14 N2 O2 S2 -","- C48 H56 N8 O8 S8 -","4","1","","Yeo, Chien Ing; Kwong, Huey Chong; Tan, Sang Loon; Tiekink, Edward R. T.","Variable non-covalent interactions in the crystals of a series of 4-Y-benzyl pyrrolidine-1-carbodithioates: Y = Cl, Br, I, Me and NO2","CrystEngComm","2024","26","20","2711","2722","10.1039/D4CE00158C","","","1.54178","CuKα","","0.0393","0.0379","","","0.1098","0.1107","","","","","","1.183","","","","has coordinates","292970","2024-07-05","15:32:49",""
"7248558","12.0797","0.0002","9.725","0.0001","12.7025","0.0002","90","","117.262","0.002","90","","1326.47","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 I N S2 -","- C12 H14 I N S2 -","- C48 H56 I4 N4 S8 -","4","1","","Yeo, Chien Ing; Kwong, Huey Chong; Tan, Sang Loon; Tiekink, Edward R. T.","Variable non-covalent interactions in the crystals of a series of 4-Y-benzyl pyrrolidine-1-carbodithioates: Y = Cl, Br, I, Me and NO2","CrystEngComm","2024","26","20","2711","2722","10.1039/D4CE00158C","","","1.54178","CuKα","","0.0216","0.0207","","","0.054","0.0548","","","","","","1.087","","","","has coordinates","292970","2024-07-05","15:32:59",""
"7248559","12.4564","0.0005","5.9662","0.0002","17.6358","0.0005","90","","101.17","0.003","90","","1285.82","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 N S2 -","- C13 H17 N S2 -","- C52 H68 N4 S8 -","4","1","","Yeo, Chien Ing; Kwong, Huey Chong; Tan, Sang Loon; Tiekink, Edward R. T.","Variable non-covalent interactions in the crystals of a series of 4-Y-benzyl pyrrolidine-1-carbodithioates: Y = Cl, Br, I, Me and NO2","CrystEngComm","2024","26","20","2711","2722","10.1039/D4CE00158C","","","1.54178","CuKα","","0.0453","0.0353","","","0.086","0.0919","","","","","","1.027","","","","has coordinates","292970","2024-07-05","15:33:10",""
"7248560","12.1754","0.0002","9.6431","0.0001","12.347","0.0002","90","","117.889","0.002","90","","1281.28","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Br N S2 -","- C12 H14 Br N S2 -","- C48 H56 Br4 N4 S8 -","4","1","","Yeo, Chien Ing; Kwong, Huey Chong; Tan, Sang Loon; Tiekink, Edward R. T.","Variable non-covalent interactions in the crystals of a series of 4-Y-benzyl pyrrolidine-1-carbodithioates: Y = Cl, Br, I, Me and NO2","CrystEngComm","2024","26","20","2711","2722","10.1039/D4CE00158C","","","1.54178","CuKα","","0.0174","0.0168","","","0.0438","0.0442","","","","","","1.082","","","","has coordinates","292970","2024-07-05","15:33:11",""
"7248561","9.2975","0.0003","10.1675","0.0003","10.6317","0.0002","73.401","0.002","64.496","0.003","69.395","0.003","838.3","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H23 N2 O3 -","- C18 H23 N2 O3 -","- C36 H46 N4 O6 -","2","1","","Rebbah, Bahija; El Haib, Abderrahim; Lahmady, Sara; Forsal, Issam; Gouygou, Maryse; Mallet-Ladeira, Sonia; Medaghri-Alaoui, Abdelouahid; Rakib, El Mostapha; Hannioui, Abdellah","Synthesis, characterization, and inhibition effects of a novel eugenol derivative bearing pyrrole functionalities on the corrosion of mild steel in a HCl acid solution.","RSC advances","2024","14","20","14152","14160","10.1039/d4ra01337a","","x-ray","1.54184","CuKα","","0.0433","0.0415","","","0.1077","0.1093","","","","","","1.024","","","","has coordinates,has disorder","291430","2024-05-01","01:06:36",""
"7248562","12.3978","0.0006","13.197","0.0007","21.5304","0.0011","76.78","0.002","75.297","0.002","62.998","0.002","3009.5","0.3","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H62 N8 O13 Zn2 -","- C64 H62 N8 O13 Zn2 -","- C128 H124 N16 O26 Zn4 -","2","1","","Teng, Yu-Kang; Wu, Qian; Sun, Yao; Wang, Chen; Zhang, Rui; Lu, Zhen-Zhong","Mixed matrix membranes based on fluorescent coordination polymers for the detection of Cr2O72− in water","CrystEngComm","2024","26","20","2635","2640","10.1039/D4CE00182F","","","0.71073","MoKα","","0.1015","0.0688","","","0.1566","0.1784","","","","","","1.049","","","","has coordinates","292972","2024-07-05","15:33:32",""
"7248563","13.1661","0.0002","20.0691","0.0004","17.0366","0.0003","90","","104.96","0.001","90","","4349.03","0.13","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H45 Cd2 N6 O10 -","- C46 H45 Cd2 N6 O10 -","- C184 H180 Cd8 N24 O40 -","4","1","","Teng, Yu-Kang; Wu, Qian; Sun, Yao; Wang, Chen; Zhang, Rui; Lu, Zhen-Zhong","Mixed matrix membranes based on fluorescent coordination polymers for the detection of Cr2O72− in water","CrystEngComm","2024","26","20","2635","2640","10.1039/D4CE00182F","","","1.54178","CuKα","","0.0342","0.0312","","","0.0999","0.1025","","","","","","1.044","","","","has coordinates","292972","2024-07-05","15:33:43",""
"7248564","11.9919","0.0007","16.8356","0.001","17.173","0.0009","64.117","0.003","79.161","0.003","77.41","0.004","3027.2","0.3","295.62","","295.62","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 N8 O8 Zn2 -","- C56 H48 N8 O8 Zn2 -","- C112 H96 N16 O16 Zn4 -","2","1","","Teng, Yu-Kang; Wu, Qian; Sun, Yao; Wang, Chen; Zhang, Rui; Lu, Zhen-Zhong","Mixed matrix membranes based on fluorescent coordination polymers for the detection of Cr2O72− in water","CrystEngComm","2024","26","20","2635","2640","10.1039/D4CE00182F","","","0.71073","MoKα","","0.1873","0.0904","","","0.1691","0.1967","","","","","","0.99","","","","has coordinates","292972","2024-07-05","15:33:44",""
"7248565","32.213","0.012","7.738","0.002","19.107","0.006","90","","103.238","0.01","90","","4636","3","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H24 F N3 O7 -","- C25 H24 F N3 O7 -","- C200 H192 F8 N24 O56 -","8","1","","Zhu, Yujun; Liu, Ruoxi; Wang, Leyao; Chen, Chen; Zhao, Yupei; Guo, Wei; Zhang, Zhihui","Ciprofloxacin salts of benzene mono/di-carboxylate: crystal structures and the improvement of solubility","CrystEngComm","2024","26","20","2662","2672","10.1039/D4CE00213J","","","0.71073","MoKα","","0.1932","0.1017","","","0.2705","0.3495","","","","","","1.06","","","","has coordinates","292969","2024-07-05","15:32:10",""
"7248566","7.311","0.002","11.567","0.004","13.026","0.004","95.552","0.008","98.49","0.008","92.972","0.008","1081.9","0.6","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 F N3 O8 -","- C21 H27 F N3 O8 -","- C42 H54 F2 N6 O16 -","2","1","","Zhu, Yujun; Liu, Ruoxi; Wang, Leyao; Chen, Chen; Zhao, Yupei; Guo, Wei; Zhang, Zhihui","Ciprofloxacin salts of benzene mono/di-carboxylate: crystal structures and the improvement of solubility","CrystEngComm","2024","26","20","2662","2672","10.1039/D4CE00213J","","","0.71073","MoKα","","0.1039","0.0588","","","0.1749","0.2561","","","","","","1.025","","","","has coordinates","292969","2024-07-05","15:32:11",""
"7248567","9.194","0.003","12.72","0.004","14.712","0.005","82.783","0.009","77.177","0.009","76.989","0.009","1629.4","0.9","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C69 H70 F2 N6 O23 -","- C69 H70 F2 N6 O23 -","- C69 H70 F2 N6 O23 -","1","0.5","","Zhu, Yujun; Liu, Ruoxi; Wang, Leyao; Chen, Chen; Zhao, Yupei; Guo, Wei; Zhang, Zhihui","Ciprofloxacin salts of benzene mono/di-carboxylate: crystal structures and the improvement of solubility","CrystEngComm","2024","26","20","2662","2672","10.1039/D4CE00213J","","","0.71073","MoKα","","0.1406","0.0816","","","0.2455","0.3041","","","","","","0.994","","","","has coordinates,has disorder","292969","2024-07-05","15:32:20",""
"7248568","9.2235","0.0008","11.3207","0.001","15.6694","0.0014","89.989","0.002","75.496","0.002","85.944","0.002","1579.8","0.2","295","2","295.15","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H21 Cl6 F N3 O9 -","- C29 H21 Cl6 F N3 O9 -","- C58 H42 Cl12 F2 N6 O18 -","2","1","","Zhu, Yujun; Liu, Ruoxi; Wang, Leyao; Chen, Chen; Zhao, Yupei; Guo, Wei; Zhang, Zhihui","Ciprofloxacin salts of benzene mono/di-carboxylate: crystal structures and the improvement of solubility","CrystEngComm","2024","26","20","2662","2672","10.1039/D4CE00213J","","","0.71073","MoKα","","0.0522","0.0409","","","0.1204","0.1313","","","","","","1.06","","","","has coordinates","292969","2024-07-05","15:32:29",""
"7248569","10.5368","0.0012","13.7042","0.0016","15.0079","0.0017","84.737","0.002","86.232","0.002","69.254","0.002","2016.8","0.4","295","2","295.15","","","","","","","","","5","P -1","-P 1","2","","","","- C84 H94 F4 N12 O25 -","- C84 H94 F4 N12 O25 -","- C84 H94 F4 N12 O25 -","1","0.5","","Zhu, Yujun; Liu, Ruoxi; Wang, Leyao; Chen, Chen; Zhao, Yupei; Guo, Wei; Zhang, Zhihui","Ciprofloxacin salts of benzene mono/di-carboxylate: crystal structures and the improvement of solubility","CrystEngComm","2024","26","20","2662","2672","10.1039/D4CE00213J","","","0.71073","MoKα","","0.0869","0.061","","","0.1872","0.2345","","","","","","1.052","","","","has coordinates,has disorder","292969","2024-07-05","15:32:30",""
"7248570","9.0499","0.0008","9.5985","0.001","11.2088","0.0011","64.656","0.01","78.043","0.008","66.903","0.009","808.51","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N2 O6 -","- C20 H14 N2 O6 -","- C40 H28 N4 O12 -","2","1","","Yin, Pei-Pei; Chen, Yu-E; Diao, Jia-Wei; Cheng, Yi-Yang; Yang, Xiao-Gang; Liu, Bao-Zhong; Ma, Lu-Fang","Facile synthesis of a 2,5-dihydroxyterephthalic acid-based charge transfer cocrystal for photoelectric applications","CrystEngComm","2024","26","21","2746","2750","10.1039/D4CE00338A","","x-ray","0.71073","MoKα","","0.0869","0.0594","","","0.1331","0.1503","","","","","","1.058","","","","has coordinates","292988","2024-07-05","15:37:10",""
"7248571","7.456","0.006","8.475","0.008","11.895","0.016","82.16","0.06","76.38","0.05","71.47","0.04","691.1","1.3","298","2","298","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 N2 O5 -","- C15 H16 N2 O5 -","- C30 H32 N4 O10 -","2","1","","Nag, Sayak; Emmerling, Franziska; Tothadi, Srinu; Bhattacharya, Biswajit; Ghosh, Soumyajit","Distinct photomechanical responses of two new 1,3-dimethylbarbituric acid derivative crystals","CrystEngComm","2024","26","22","2871","2882","10.1039/D4CE00233D","","","0.71073","MoKα","","0.0455","0.0393","","","0.1071","0.1113","","","","","","1.067","","","","has coordinates","292944","2024-07-05","15:19:46",""
"7248572","7.0505","0.0006","8.0193","0.0007","13.9507","0.0012","81.526","0.003","88.415","0.003","70.313","0.003","734.35","0.11","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C32 H32 N4 O8 -","2","1","","Nag, Sayak; Emmerling, Franziska; Tothadi, Srinu; Bhattacharya, Biswajit; Ghosh, Soumyajit","Distinct photomechanical responses of two new 1,3-dimethylbarbituric acid derivative crystals","CrystEngComm","2024","26","22","2871","2882","10.1039/D4CE00233D","","","0.71073","MoKα","","0.0726","0.0664","","","0.2091","0.2172","","","","","","1.098","","","","has coordinates","292944","2024-07-05","15:19:46",""
"7248573","6.7599","0.0002","7.3998","0.0002","13.9289","0.0004","90","","112.268","0.002","90","","644.79","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- F4 K2 Mn O3 P -","- F4 K2 Mn O3 P -","- F16 K8 Mn4 O12 P4 -","4","1","","Luo, Qi; Li, Ningxia; Zhao, Zhiying; Cui, Meiyan; He, Zhangzhen","Synthesis and magnetic properties of two fluorophosphates K2Mn(PO3F)F3 and Na2Mn(HPO4)F3 with a S = 2 uniform spin chain structure","CrystEngComm","2024","26","21","2796","2802","10.1039/D4CE00180J","","x-ray","1.3405","GaKα","","0.041","0.0398","","","0.1081","0.1093","","","","","","1.088","","","","has coordinates","292986","2024-07-05","15:36:51",""
"7248574","5.6785","0.0003","7.7011","0.0003","6.8171","0.0004","90","","109.673","0.006","90","","280.72","0.03","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- F3 H Mn Na2 O4 P -","- F3 H Mn Na2 O4 P -","- F6 H2 Mn2 Na4 O8 P2 -","2","0.5","","Luo, Qi; Li, Ningxia; Zhao, Zhiying; Cui, Meiyan; He, Zhangzhen","Synthesis and magnetic properties of two fluorophosphates K2Mn(PO3F)F3 and Na2Mn(HPO4)F3 with a S = 2 uniform spin chain structure","CrystEngComm","2024","26","21","2796","2802","10.1039/D4CE00180J","","x-ray","0.71073","MoKα","","0.0273","0.025","","","0.058","0.0593","","","","","","1.121","","","","has coordinates","292986","2024-07-05","15:36:51",""
"7248575","17.6763","0.0005","11.7042","0.0003","7.5524","0.0002","90","","94.84","0.001","90","","1556.92","0.07","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Br N O2 -","- C18 H16 Br N O2 -","- C72 H64 Br4 N4 O8 -","4","1","","Siwawannapong, Kittipan; Diers, James R.; Magdaong, Nikki Cecil M.; Nalaoh, Phattananawee; Kirmaier, Christine; Lindsey, Jonathan S.; Holten, Dewey; Bocian, David F.","Extension of nature's NIR-I chromophore into the NIR-II region.","Physical chemistry chemical physics : PCCP","2024","26","19","14228","14243","10.1039/d4cp00779d","","","0.71073","MoKα","","0.0327","0.0309","","","0.0806","0.0817","","","","","","1.089","","","","has coordinates","293289","2024-07-05","18:07:43",""
"7248576","12.445","0.003","12.529","0.003","11.461","0.002","90","","93.804","0.005","90","","1783.1","0.7","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Br N2 O4 -","- C19 H17 Br N2 O4 -","- C76 H68 Br4 N8 O16 -","4","1","","Siwawannapong, Kittipan; Diers, James R.; Magdaong, Nikki Cecil M.; Nalaoh, Phattananawee; Kirmaier, Christine; Lindsey, Jonathan S.; Holten, Dewey; Bocian, David F.","Extension of nature's NIR-I chromophore into the NIR-II region.","Physical chemistry chemical physics : PCCP","2024","26","19","14228","14243","10.1039/d4cp00779d","","","0.71073","MoKα","","0.0417","0.0353","","","0.0872","0.0909","","","","","","1.032","","","","has coordinates,has disorder","293289","2024-07-05","18:07:43",""
"7248577","14.7636","0.0004","11.7049","0.0003","15.5223","0.0005","90","","113.075","0.001","90","","2467.75","0.12","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 Br N2 O4 -","- C27 H29 Br N2 O4 -","- C108 H116 Br4 N8 O16 -","4","1","","Siwawannapong, Kittipan; Diers, James R.; Magdaong, Nikki Cecil M.; Nalaoh, Phattananawee; Kirmaier, Christine; Lindsey, Jonathan S.; Holten, Dewey; Bocian, David F.","Extension of nature's NIR-I chromophore into the NIR-II region.","Physical chemistry chemical physics : PCCP","2024","26","19","14228","14243","10.1039/d4cp00779d","","","0.71073","MoKα","","0.0384","0.0349","","","0.0808","0.082","","","","","","1.189","","","","has coordinates,has disorder","293289","2024-07-05","18:07:43",""
"7248578","14.3029","0.0005","24.787","0.0009","55.5667","0.0017","90","","95.516","0.001","90","","19608.6","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C205 H287 Dy3 F12 N4 O9 S4 -","- C205 H287 Dy3 F12 N4 O9 S4 -","- C820 H1148 Dy12 F48 N16 O36 S16 -","4","1","","Rogacz, Katarzyna; Magott, Michał; Baś, Sebastian; Foltyn, Magdalena; Rams, Michał; Pinkowicz, Dawid","A photochromic trinuclear dysprosium(iii) single-molecule magnet with two distinct relaxation processes","RSC Advances","2024","14","21","14515","14522","10.1039/D4RA01645A","","","0.71073","MoKα","","0.1542","0.0668","","","0.1274","0.1578","","","","","","0.993","","","","has coordinates,has disorder","291472","2024-05-03","01:08:47",""
"7248579","10.0955","0.0004","40.9697","0.0015","11.4889","0.0004","90","","98.139","0.001","90","","4704.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H63 Cd N5 O5 -","- C50 H63 Cd N5 O5 -","- C200 H252 Cd4 N20 O20 -","4","1","","Trofimova, Olesya Yu.; Meshcheryakova, Irina N.; Druzhkov, Nikolai O.; Ershova, Irina V.; Maleeva, Arina V.; Cherkasov, Anton V.; Yakushev, Ilya A.; Dorovatovskii, Pavel V.; Aysin, Rinat R.; Piskunov, Alexandr V.","Structural diversity of cadmium coordination polymers based on an extended anilate-type ligand","CrystEngComm","2024","26","23","3077","3087","10.1039/D4CE00272E","","","0.71073","MoKα","","0.0339","0.031","","","0.0673","0.0684","","","","","","1.052","","","","has coordinates,has disorder","292982","2024-07-05","15:35:57",""
"7248580","12.445","0.0012","15.1029","0.0014","15.5578","0.0015","94.759","0.003","113.19","0.003","103.711","0.003","2559.9","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H70 Cd N6 O6 -","- C53 H70 Cd N6 O6 -","- C106 H140 Cd2 N12 O12 -","2","1","","Trofimova, Olesya Yu.; Meshcheryakova, Irina N.; Druzhkov, Nikolai O.; Ershova, Irina V.; Maleeva, Arina V.; Cherkasov, Anton V.; Yakushev, Ilya A.; Dorovatovskii, Pavel V.; Aysin, Rinat R.; Piskunov, Alexandr V.","Structural diversity of cadmium coordination polymers based on an extended anilate-type ligand","CrystEngComm","2024","26","23","3077","3087","10.1039/D4CE00272E","","","0.71073","MoKα","","0.066","0.0448","","","0.0911","0.099","","","","","","1.053","","","","has coordinates","292982","2024-07-05","15:35:57",""
"7248581","16.372","0.008","10.139","0.003","22.227","0.004","90","","101.261","0.015","90","","3619","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H49 Cd N3 O5 -","- C37 H49 Cd N3 O5 -","- C148 H196 Cd4 N12 O20 -","4","1","","Trofimova, Olesya Yu.; Meshcheryakova, Irina N.; Druzhkov, Nikolai O.; Ershova, Irina V.; Maleeva, Arina V.; Cherkasov, Anton V.; Yakushev, Ilya A.; Dorovatovskii, Pavel V.; Aysin, Rinat R.; Piskunov, Alexandr V.","Structural diversity of cadmium coordination polymers based on an extended anilate-type ligand","CrystEngComm","2024","26","23","3077","3087","10.1039/D4CE00272E","","","0.79313","synchrotron","","0.0833","0.0456","","","0.0922","0.107","","","","","","1.016","","","","has coordinates","292982","2024-07-05","15:35:57",""
"7248582","10.7318","0.0012","14.111","0.0016","14.3004","0.0017","64.885","0.002","72.876","0.008","75.908","0.005","1856.3","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H110 Cd N12 O8 -","- C80 H110 Cd N12 O8 -","- C80 H110 Cd N12 O8 -","1","0.5","","Trofimova, Olesya Yu.; Meshcheryakova, Irina N.; Druzhkov, Nikolai O.; Ershova, Irina V.; Maleeva, Arina V.; Cherkasov, Anton V.; Yakushev, Ilya A.; Dorovatovskii, Pavel V.; Aysin, Rinat R.; Piskunov, Alexandr V.","Structural diversity of cadmium coordination polymers based on an extended anilate-type ligand","CrystEngComm","2024","26","23","3077","3087","10.1039/D4CE00272E","","","0.79313","synchrotron","","0.0483","0.0437","","","0.1139","0.117","","","","","","1.033","","","","has coordinates,has disorder","292982","2024-07-05","15:35:57",""
"7248583","10.0555","0.0007","13.6937","0.001","17.1536","0.0012","92.456","0.002","106.837","0.002","106.896","0.002","2142.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H53 Cd N4 O5 -","- C42 H53 Cd N4 O5 -","- C84 H106 Cd2 N8 O10 -","2","1","","Trofimova, Olesya Yu.; Meshcheryakova, Irina N.; Druzhkov, Nikolai O.; Ershova, Irina V.; Maleeva, Arina V.; Cherkasov, Anton V.; Yakushev, Ilya A.; Dorovatovskii, Pavel V.; Aysin, Rinat R.; Piskunov, Alexandr V.","Structural diversity of cadmium coordination polymers based on an extended anilate-type ligand","CrystEngComm","2024","26","23","3077","3087","10.1039/D4CE00272E","","","0.71073","MoKα","","0.0655","0.0482","","","0.1036","0.1108","","","","","","1.017","","","","has coordinates","292982","2024-07-05","15:35:57",""
"7248584","10.664","0.003","42.973","0.005","9.228","0.002","90","","97.349","0.015","90","","4194.1","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H58 Cd N4 O6 -","- C42 H58 Cd N4 O6 -","- C168 H232 Cd4 N16 O24 -","4","1","","Trofimova, Olesya Yu.; Meshcheryakova, Irina N.; Druzhkov, Nikolai O.; Ershova, Irina V.; Maleeva, Arina V.; Cherkasov, Anton V.; Yakushev, Ilya A.; Dorovatovskii, Pavel V.; Aysin, Rinat R.; Piskunov, Alexandr V.","Structural diversity of cadmium coordination polymers based on an extended anilate-type ligand","CrystEngComm","2024","26","23","3077","3087","10.1039/D4CE00272E","","","0.79313","synchrotron","","0.113","0.0808","","","0.1807","0.1977","","","","","","1.045","","","","has coordinates,has disorder","292982","2024-07-05","15:35:57",""
"7248585","14.3702","0.0008","13.3514","0.0008","24.3154","0.0014","90","","94.535","0.002","90","","4650.6","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H34 N8 O21 Zn3 -","- C48 H34 N8 O21 Zn3 -","- C192 H136 N32 O84 Zn12 -","4","0.5","","Chen, Qiang; Zhao, Chenzhu; Li, Xusheng; Liu, Hua; Chen, Jiao; Li, Quanquan; Liu, Ping; Wang, Yaoyu","Accelerating interfacial charge transfer and photocatalytic activity of a Z-scheme Zn-MOF/GO heterojunction towards the removal of Cr(vi) and methylene blue","CrystEngComm","2024","26","23","3054","3061","10.1039/D4CE00324A","","","1.34138","GaKα","","0.0355","0.03","","","0.0757","0.0788","","","","","","1.039","","","","has coordinates","292981","2024-07-05","15:35:41",""
"7248586","22.635","0.004","18.2458","0.0018","8.4549","0.0012","90","","90","","90","","3491.8","0.9","293","2","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C8 H8 N2 O2 S -","- C8 H8 N2 O2 S -","- C128 H128 N32 O32 S16 -","16","1","","Shaiwale, Mayuri; Som, Narayan N.; Jha, Prafulla K.; Ballabh, Amar","A simple and efficient synthesis of a series of N-(thiazol-2-yl)piperidine-2,6-dione compounds and their interesting NLO properties","CrystEngComm","2024","26","23","3069","3076","10.1039/D4CE00217B","","x-ray","0.71073","MoKα","","0.037","0.0337","","","0.0998","0.1035","","","","","","1.1032","","","","has coordinates","292983","2024-07-05","15:36:12",""
"7248587","17.3234","0.0014","6.5197","0.0005","8.7737","0.0007","90","","90","","90","","990.93","0.14","293","2","","","","","","","","","","5","P n a 21","P 2c -2n","33","","1-(5-methylthiazol-2-yl)piperidine-2,6-dione","","- C9 H10 N2 O2 S -","- C9 H10 N2 O2 S -","- C36 H40 N8 O8 S4 -","4","1","","Shaiwale, Mayuri; Som, Narayan N.; Jha, Prafulla K.; Ballabh, Amar","A simple and efficient synthesis of a series of N-(thiazol-2-yl)piperidine-2,6-dione compounds and their interesting NLO properties","CrystEngComm","2024","26","23","3069","3076","10.1039/D4CE00217B","","x-ray","0.71073","MoKα","","0.0535","0.0445","","","0.0853","0.0897","","","","","","1.0658","","","","has coordinates","292983","2024-07-05","15:36:12",""
"7248588","10.4402","0.0013","9.0667","0.0012","10.6841","0.0015","90","","103.828","0.012","90","","982","0.2","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-methylthiazol-2-yl)piperidine-2,6-dione","","- C9 H10 N2 O2 S -","- C9 H10 N2 O2 S -","- C36 H40 N8 O8 S4 -","4","1","","Shaiwale, Mayuri; Som, Narayan N.; Jha, Prafulla K.; Ballabh, Amar","A simple and efficient synthesis of a series of N-(thiazol-2-yl)piperidine-2,6-dione compounds and their interesting NLO properties","CrystEngComm","2024","26","23","3069","3076","10.1039/D4CE00217B","","x-ray","0.71073","MoKα","","0.0523","0.0402","","","0.1016","0.1105","","","","","","1.053","","","","has coordinates","292983","2024-07-05","15:36:12",""
"7248589","11.0048","0.0007","9.1927","0.0007","21.2407","0.0014","90","","90","","90","","2148.8","0.3","293","2","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(4,5-dimethylthiazol-2-yl)piperidine-2,6-dione","","- C10 H12 N2 O2 S -","- C10 H12 N2 O2 S -","- C80 H96 N16 O16 S8 -","8","1","","Shaiwale, Mayuri; Som, Narayan N.; Jha, Prafulla K.; Ballabh, Amar","A simple and efficient synthesis of a series of N-(thiazol-2-yl)piperidine-2,6-dione compounds and their interesting NLO properties","CrystEngComm","2024","26","23","3069","3076","10.1039/D4CE00217B","","x-ray","0.71073","MoKα","","0.0892","0.0588","","","0.1608","0.1864","","","","","","1.049","","","","has coordinates","292983","2024-07-05","15:36:12",""
"7248590","10.7717","0.0009","9.2453","0.0009","23.0901","0.0014","90","","90","","90","","2299.5","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(benzo[d]thiazol-2-yl)piperidine-2,6-dione","","- C12 H10 N2 O2 S -","- C12 H10 N2 O2 S -","- C96 H80 N16 O16 S8 -","8","1","","Shaiwale, Mayuri; Som, Narayan N.; Jha, Prafulla K.; Ballabh, Amar","A simple and efficient synthesis of a series of N-(thiazol-2-yl)piperidine-2,6-dione compounds and their interesting NLO properties","CrystEngComm","2024","26","23","3069","3076","10.1039/D4CE00217B","","x-ray","0.71073","MoKα","","0.0853","0.0675","","","0.2051","0.2256","","","","","","0.905","","","","has coordinates","292983","2024-07-05","15:36:12",""
"7248591","6.6549","0.0003","12.8056","0.0005","6.6575","0.0003","90","","116.973","0.002","90","","505.64","0.04","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C20 H24 N4 O8 -","2","0.5","","Mele, Francesco; Constantin, Ana Maria; Sacchelli, Filippo; Schiroli, Debora; Mazzeo, Paolo Pio; Maestri, Giovanni; Motti, Elena; Maggi, Raimondo; Mancuso, Raffaella; Gabriele, Bartolo; Pancrazzi, Francesco; Della Ca’, Nicola","Sequential Glaser reaction – diastereoselective cyclocarboxylation of propargylamines with CO2: a green catalytic access to bis-oxazolidinonedienes and their topochemical polymerization","Green Chemistry","2024","26","11","6429","6435","10.1039/D4GC00818A","","","0.71073","MoKα","","0.0347","0.0334","","","0.086","0.0868","","","","","","1.103","","","","has coordinates","293170","2024-07-05","17:25:00",""
"7248592","40.9802","0.0007","5.9856","0.0001","8.7293","0.0002","90","","97.256","0.001","90","","2124.07","0.07","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 N2 O6 -","- C24 H24 N2 O6 -","- C96 H96 N8 O24 -","4","0.5","","Mele, Francesco; Constantin, Ana Maria; Sacchelli, Filippo; Schiroli, Debora; Mazzeo, Paolo Pio; Maestri, Giovanni; Motti, Elena; Maggi, Raimondo; Mancuso, Raffaella; Gabriele, Bartolo; Pancrazzi, Francesco; Della Ca’, Nicola","Sequential Glaser reaction – diastereoselective cyclocarboxylation of propargylamines with CO2: a green catalytic access to bis-oxazolidinonedienes and their topochemical polymerization","Green Chemistry","2024","26","11","6429","6435","10.1039/D4GC00818A","","","1.54178","CuKα","","0.0366","0.0343","","","0.0877","0.0901","","","","","","1.046","","","","has coordinates","293170","2024-07-05","17:25:01",""
"7248593","6.0202","0.0003","13.4077","0.0007","19.4725","0.0012","97.433","0.005","91.503","0.004","92.772","0.004","1555.89","0.15","293","0.1","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H36 N3 O9 -","- C36 H36 N3 O9 -","- C72 H72 N6 O18 -","2","1","","Mele, Francesco; Constantin, Ana Maria; Sacchelli, Filippo; Schiroli, Debora; Mazzeo, Paolo Pio; Maestri, Giovanni; Motti, Elena; Maggi, Raimondo; Mancuso, Raffaella; Gabriele, Bartolo; Pancrazzi, Francesco; Della Ca’, Nicola","Sequential Glaser reaction – diastereoselective cyclocarboxylation of propargylamines with CO2: a green catalytic access to bis-oxazolidinonedienes and their topochemical polymerization","Green Chemistry","2024","26","11","6429","6435","10.1039/D4GC00818A","","","1.54184","CuKα","","0.1246","0.0919","","","0.2498","0.2952","","","","","","1.034","","","","has coordinates,has disorder","293170","2024-07-05","17:25:01",""
"7248594","5.5158","0.0006","9.1291","0.0009","19.1868","0.0019","90","","94.815","0.009","90","","962.73","0.17","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H4 D16 O8 Se4 -","- C12 H4 D16 O8 Se4 -","- C24 H8 D32 O16 Se8 -","2","0.25","","Gandhi, Vishwa V.; Pal, Manoj Kumar; Singh, Beena G.; Das, Ram P.; Wadawale, A. P.; Dey, Sandip; Kunwar, Amit","Deuterium labeling improves the therapeutic index of 3,3′-diselenodipropionic acid as anticancer agent: Insights from redox reactions","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00105B","","x-ray","0.71073","MoKα","","0.1183","0.0917","","","0.247","0.2572","","","","","","1.127","","","","has coordinates","291746","2024-05-07","00:00:24",""
"7248595","13.126","0.0008","10.3284","0.0006","6.8375","0.0004","90","","90","","90","","926.96","0.1","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cl5 K2 N O Ru -","- Cl5 K2 N O Ru -","- Cl20 K8 N4 O4 Ru4 -","4","0.5","","Mikhailov, Artem A.; Gansmüller, Axel; Konieczny, Krzysztof A.; Pillet, Sébastien; Kostin, Gennadiy; Klüfers, Peter; Woike, Theo; Schaniel, Dominik","Local force constants and charges of the nitrosyl ligand in photoinduced NO linkage isomers in a prototypical ruthenium nitrosyl complex.","Physical chemistry chemical physics : PCCP","2024","26","21","15255","15267","10.1039/d4cp01374c","","","0.71073","MoKα","","0.0161","0.015","","","0.0289","0.0292","","","","","","1.025","","","","has coordinates","293293","2024-07-05","18:09:19",""
"7248596","26.628","0.003","6.9771","0.0007","14.7128","0.0015","90","","97.479","0.002","90","","2710.2","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 Cu2 N4 O4 -","- C32 H28 Cu2 N4 O4 -","- C128 H112 Cu8 N16 O16 -","4","0.5","","Majumdar, Dhrubajyoti; Gassoumi, Bouzid; Dey, Arka; Roy, Sourav; Ayachi, Sahbi; Hazra, Suman; Dalai, Sudipta","Synthesis, characterization, crystal structure, and fabrication of photosensitive Schottky device of a binuclear Cu(ii)-Salen complex: a DFT investigations","RSC Advances","2024","14","21","14992","15007","10.1039/D4RA01846J","","","0.71073","MoKα","","0.0346","0.0307","","","0.0799","0.0822","","","","","","1.181","","","","has coordinates","291790","2024-05-09","01:18:41",""
"7248597","14.5312","0.0006","13.8795","0.0005","15.1632","0.0006","90","","90","","90","","3058.2","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H20 I3 N -","- C8 H20 I3 N -","- C64 H160 I24 N8 -","8","1","","Hamdouni, Monia; Hrizi, Chakib; Esghaier, Mohsen Ouled Mohamed; Knorr, Michael; Strohmann, Carsten; Chaabouni, Slaheddine","Molecular self-assembly of 1D linear and 2D T-shape polyiodide arrangements in two organic ammonium triiodide salts: supramolecular structures and density functional theory-based optical properties","CrystEngComm","2024","26","20","2723","2736","10.1039/D4CE00079J","","","0.71073","MoKα","","0.0446","0.0257","","","0.051","0.061","","","","","","1.051","","","","has coordinates,has disorder","292971","2024-07-05","15:33:21",""
"7248598","16.9466","0.0012","6.0287","0.0004","13.6214","0.0011","90","","97.621","0.004","90","","1379.35","0.17","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C7 H12 I3 N2 O0.5 -","- C7 H12 I3 N2 O0.5 -","- C28 H48 I12 N8 O2 -","4","1","","Hamdouni, Monia; Hrizi, Chakib; Esghaier, Mohsen Ouled Mohamed; Knorr, Michael; Strohmann, Carsten; Chaabouni, Slaheddine","Molecular self-assembly of 1D linear and 2D T-shape polyiodide arrangements in two organic ammonium triiodide salts: supramolecular structures and density functional theory-based optical properties","CrystEngComm","2024","26","20","2723","2736","10.1039/D4CE00079J","","","0.71073","MoKα","","0.0732","0.0405","","","0.0861","0.1157","","","","","","1.197","","","","has coordinates","292971","2024-07-05","15:33:21",""
"7248599","8.6015","0.0017","11.121","0.002","13.895","0.003","90","","90.292","0.007","90","","1329.1","0.5","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H30 Cd N5 O12 P -","- C21 H30 Cd N5 O12 P -","- C42 H60 Cd2 N10 O24 P2 -","2","1","","Khan, Yaqoot; Ismail, Ismail; Ma, Hongwei; Li, Zhongkui; Li, Hui","Sugar–nucleobase hydrogen bonding in cytidine 5′-monophosphate nucleotide-cadmium coordination complexes","CrystEngComm","2024","26","21","2775","2783","10.1039/D4CE00150H","","","0.71073","MoKα","","0.0775","0.0493","","","0.0785","0.0872","","","","","","1.012","","","","has coordinates","292987","2024-07-05","15:37:04",""
"7248600","13.813","0.005","14.472","0.006","20.721","0.007","90","","90","","90","","4142","3","296.15","","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 Cd N8 O21 P2 -","- C30 H44 Cd N8 O21 P2 -","- C120 H176 Cd4 N32 O84 P8 -","4","1","","Khan, Yaqoot; Ismail, Ismail; Ma, Hongwei; Li, Zhongkui; Li, Hui","Sugar–nucleobase hydrogen bonding in cytidine 5′-monophosphate nucleotide-cadmium coordination complexes","CrystEngComm","2024","26","21","2775","2783","10.1039/D4CE00150H","","","0.71073","MoKα","","0.0618","0.0525","","","0.127","0.1332","","","","","","1.06","","","","has coordinates","292987","2024-07-05","15:37:04",""
"7248601","9.3779","0.0013","12.2117","0.0018","13.625","0.0019","90","","106.071","0.004","90","","1499.4","0.4","296.15","","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H34 Cd N7 O15 P -","- C19 H34 Cd N7 O15 P -","- C38 H68 Cd2 N14 O30 P2 -","2","1","","Khan, Yaqoot; Ismail, Ismail; Ma, Hongwei; Li, Zhongkui; Li, Hui","Sugar–nucleobase hydrogen bonding in cytidine 5′-monophosphate nucleotide-cadmium coordination complexes","CrystEngComm","2024","26","21","2775","2783","10.1039/D4CE00150H","","","0.71073","MoKα","","0.033","0.0281","","","0.0632","0.0655","","","","","","1.014","","","","has coordinates","292987","2024-07-05","15:37:04",""
"7248602","8.31","0.005","11.901","0.007","14.109","0.008","90","","92.58","0.02","90","","1393.9","1.4","296.15","","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H32 Cd N5 O13 P -","- C21 H32 Cd N5 O13 P -","- C42 H64 Cd2 N10 O26 P2 -","2","1","","Khan, Yaqoot; Ismail, Ismail; Ma, Hongwei; Li, Zhongkui; Li, Hui","Sugar–nucleobase hydrogen bonding in cytidine 5′-monophosphate nucleotide-cadmium coordination complexes","CrystEngComm","2024","26","21","2775","2783","10.1039/D4CE00150H","","","0.71073","MoKα","","0.0194","0.0183","","","0.0437","0.0443","","","","","","1.04","","","","has coordinates","292987","2024-07-05","15:37:04",""
"7248603","13.5898","0.0015","14.6787","0.0017","21.008","0.002","90","","90","","90","","4190.7","0.8","296.15","","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H43 Cd N10 O20 P2 -","- C28 H43 Cd N10 O20 P2 -","- C112 H172 Cd4 N40 O80 P8 -","4","1","","Khan, Yaqoot; Ismail, Ismail; Ma, Hongwei; Li, Zhongkui; Li, Hui","Sugar–nucleobase hydrogen bonding in cytidine 5′-monophosphate nucleotide-cadmium coordination complexes","CrystEngComm","2024","26","21","2775","2783","10.1039/D4CE00150H","","","0.71073","MoKα","","0.059","0.0435","","","0.095","0.1006","","","","","","1.026","","","","has coordinates","292987","2024-07-05","15:37:04",""
"7248604","34.707","0.002","11.0408","0.0007","21.7951","0.0016","90","","102.202","0.001","90","","8163.1","0.9","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H34 Cd1.5 Cl N8 O8 -","- C40 H34 Cd1.5 Cl N8 O8 -","- C320 H272 Cd12 Cl8 N64 O64 -","8","1","","Wu, Yu; Li, Junlan; Xu, Jing; Muddassir, Mohd.; Kushwaha, Aparna; Daniel, Omoding; Kumar, Abhinav; Zou, Like","4,4′-Bis(imidazolyl)biphenyl-appended Cd(ii) coordination polymer: a dual-functional material for antibiotic sensing and photodegradation","CrystEngComm","2024","26","23","3113","3122","10.1039/D4CE00294F","","","0.71073","MoKα","","0.1231","0.0648","","","0.1755","0.221","","","","","","1.028","","","","has coordinates,has disorder","292980","2024-07-05","15:35:34",""
"7248605","5.6414","0.0002","32.4145","0.0013","6.7458","0.0003","90","","97.556","0.002","90","","1222.85","0.09","0","2","0","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C H2 Cl N4 O3 -","- C7.5 H3 Cl N O -","- C60 H24 Cl8 N8 O8 -","8","2","","Le, Phong Q.; Dinh, Van M.; Nguyen, Huong D. T.; Ha, Hiep Q.; Truong, Thanh V.","Iodine-promoted amide formation via oxidative cleavage of indoles: novel quinazoline-4(3H)-one and tryptanthrin syntheses","RSC Advances","2024","14","22","15597","15603","10.1039/D4RA01807A","","","0.71073","MoKα","","0.0695","0.0429","","","0.0798","0.0879","","","","","","1.051","","","","has coordinates","291854","2024-05-15","01:14:49",""
"7248606","12.0685","0.0004","14.1345","0.0004","18.6642","0.0006","90","","95.688","0.002","90","","3168.1","0.17","","","0","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 Br N2 O -","- C20 H13 Br N2 O -","- C160 H104 Br8 N16 O8 -","8","2","","Le, Phong Q.; Dinh, Van M.; Nguyen, Huong D. T.; Ha, Hiep Q.; Truong, Thanh V.","Iodine-promoted amide formation via oxidative cleavage of indoles: novel quinazoline-4(3H)-one and tryptanthrin syntheses","RSC Advances","2024","14","22","15597","15603","10.1039/D4RA01807A","","","0.71073","MoKα","","0.0492","0.0306","","","0.0618","0.069","","","","","","1.0404","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7248607","8.87694","0.00013","11.7651","0.0002","22.7128","0.0003","90","","90","","90","","2372.08","0.06","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N2 O3 S -","- C28 H26 N2 O3 S -","- C112 H104 N8 O12 S4 -","4","1","","Liu, Tingting; Wang, Jianbin; Xiao, Rou; Zhao, Junling","Switchable divergent synthesis of chiral indole derivatives via catalytic asymmetric dearomatization of 2,3-disubstituted indoles","RSC Advances","2024","14","22","15591","15596","10.1039/D4RA03231D","","x-ray","1.54184","CuKα","","0.0395","0.0364","","","0.0995","0.1019","","","","","","1.067","","","","has coordinates","291855","2024-05-15","01:15:06",""
"7248608","7.386","0.0015","15.868","0.003","19.198","0.004","103.38","0.03","95.61","0.03","99.79","0.03","2134.9","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H34 N3 O24 P3 Zn4 -","- C42 H34 N3 O24 P3 Zn4 -","- C84 H68 N6 O48 P6 Zn8 -","2","1","","Chen, Xi; Chen, Zi-tong; Xu, Shi-xian; Chen, Yuan; Tong, Jia-ping; Li, Bao","A self-assembled metal–organic framework for enhanced UO22+ fluorescence sensing: integration of an octa-nuclear zinc cluster with hexakis(4-carboxyphenoxy)cyclotriphosphazene","CrystEngComm","2024","26","25","3341","3348","10.1039/D4CE00401A","","","0.71073","MoKα","","0.0838","0.0777","","","0.219","0.2251","","","","","","1.047","","","","has coordinates","292967","2024-07-05","15:29:55",""
"7248609","8.1484","0.0002","8.1484","0.0002","26.8449","0.0011","90","","90","","90","","1782.41","0.1","172.8","0.2","172.8","0.2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C5 H13 Cl N2 O4 -","- C5 H13 Cl N2 O4 -","- C40 H104 Cl8 N16 O32 -","8","1","","Yang, Shu-Jing; Bai, Yong-Ju; Qi, Jun-Chao; Huang, Xiao-Yun; Shen, Xin; Lu, Yan-Zi; Xia, Zhang-Tian; Lv, Hui-Peng; Liao, Wei-Qiang","A homochiral polar molecular piezoelectric material with phase transition and high piezoelectricity precisely designed by cyanomethyl group substitution","CrystEngComm","2024","26","22","2883","2890","10.1039/D4CE00023D","","x-ray","0.71073","MoKα","","0.0457","0.0407","","","0.1015","0.105","","","","","","1.043","","","","has coordinates,has disorder","292941","2024-07-05","15:18:40",""
"7248610","13.9407","0.0007","7.4715","0.0004","18.8287","0.0009","90","","106.62","0.005","90","","1879.23","0.17","172.98","0.1","172.98","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H15 Cl N4 O4 -","- C9 H15 Cl N4 O4 -","- C54 H90 Cl6 N24 O24 -","6","3","","Yang, Shu-Jing; Bai, Yong-Ju; Qi, Jun-Chao; Huang, Xiao-Yun; Shen, Xin; Lu, Yan-Zi; Xia, Zhang-Tian; Lv, Hui-Peng; Liao, Wei-Qiang","A homochiral polar molecular piezoelectric material with phase transition and high piezoelectricity precisely designed by cyanomethyl group substitution","CrystEngComm","2024","26","22","2883","2890","10.1039/D4CE00023D","","x-ray","0.71073","MoKα","","0.0761","0.0547","","","0.1406","0.1542","","","","","","0.92","","","","has coordinates","292941","2024-07-05","15:18:40",""
"7248611","8.8528","0.0006","7.5471","0.0007","9.7043","0.0008","90","","97.654","0.007","90","","642.6","0.09","297.99","0.1","297.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H15 Cl N4 O4 -","- C9 H15 Cl N4 O4 -","- C18 H30 Cl2 N8 O8 -","2","1","","Yang, Shu-Jing; Bai, Yong-Ju; Qi, Jun-Chao; Huang, Xiao-Yun; Shen, Xin; Lu, Yan-Zi; Xia, Zhang-Tian; Lv, Hui-Peng; Liao, Wei-Qiang","A homochiral polar molecular piezoelectric material with phase transition and high piezoelectricity precisely designed by cyanomethyl group substitution","CrystEngComm","2024","26","22","2883","2890","10.1039/D4CE00023D","","x-ray","0.71073","MoKα","","0.1077","0.0754","","","0.2139","0.2412","","","","","","1.051","","","","has coordinates,has disorder","292941","2024-07-05","15:18:40",""
"7248612","31.366","0.002","10.0042","0.0007","22.8146","0.0017","90","","96.959","0.008","90","","7106.3","0.9","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Br Cu S2 -","- C16 H26 Br Cu S2 -","- C256 H416 Br16 Cu16 S32 -","16","2","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","","0.71073","MoKα","","0.0483","0.0301","","","0.0636","0.0653","","","","","","0.89","","","","has coordinates","292943","2024-07-05","15:19:34",""
"7248613","8.7545","0.0014","10.0042","0.0015","11.2498","0.0015","64.22","0.006","70.764","0.006","82.779","0.007","837.5","0.2","115","0.1","115","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 Cl2 Cu S2 -","- C12 H22 Cl2 Cu S2 -","- C24 H44 Cl4 Cu2 S4 -","2","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0338","0.0256","","","0.0638","0.0673","","","","","","1.063","","","","has coordinates","292943","2024-07-05","15:19:35",""
"7248614","8.7637","0.0014","15.977","0.002","11.262","0.002","90","","97.425","0.005","90","","1563.7","0.4","115","2","115","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H44 Br2 Cu2 S4 -","- C24 H44 Br2 Cu2 S4 -","- C48 H88 Br4 Cu4 S8 -","2","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0964","0.0538","","","0.0609","0.0694","","","","","","0.974","","","","has coordinates","292943","2024-07-05","15:19:35",""
"7248615","12.0784","0.0005","9.6471","0.0004","13.6377","0.0005","90","","107.326","0.0012","90","","1516.98","0.11","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 Cl Cu S2 -","- C12 H22 Cl Cu S2 -","- C48 H88 Cl4 Cu4 S8 -","4","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.029","0.0208","","","0.0441","0.047","","","","","","1.077","","","","has coordinates","292943","2024-07-05","15:19:35",""
"7248616","11.3631","0.0005","9.2959","0.0004","17.5929","0.0007","90","","107.327","0.0013","90","","1774.01","0.13","115","0.1","115","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 Cl Cu S2 -","- C16 H26 Cl Cu S2 -","- C64 H104 Cl4 Cu4 S8 -","4","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0265","0.0196","","","0.0445","0.0472","","","","","","1.046","","","","has coordinates","292943","2024-07-05","15:19:35",""
"7248617","9.9428","0.0008","18.9973","0.0017","19.2437","0.0015","90","","90","","90","","3634.9","0.5","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H44 Cu4 I4 S4 -","- C24 H44 Cu4 I4 S4 -","- C96 H176 Cu16 I16 S16 -","4","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0314","0.0296","","","0.072","0.0732","","","","","","1.064","","","","has coordinates","292943","2024-07-05","15:19:35",""
"7248618","11.4251","0.0003","16.2605","0.0004","8.8793","0.0002","90","","99.638","0.001","90","","1626.29","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 Cu I S2 -","- C12 H22 Cu I S2 -","- C48 H88 Cu4 I4 S8 -","4","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.019","0.0176","","","0.043","0.0438","","","","","","1.079","","","","has coordinates","292943","2024-07-05","15:19:35",""
"7248619","8.1661","0.0004","10.2416","0.0005","15.1301","0.0006","90","","98.034","0.002","90","","1252.97","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 Br2 Cu N S -","- C8 H14 Br2 Cu N S -","- C32 H56 Br8 Cu4 N4 S4 -","4","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0308","0.0258","","","0.0554","0.0576","","","","","","1.062","","","","has coordinates","292943","2024-07-05","15:19:35",""
"7248620","31.853","0.002","10.1612","0.0006","22.91","0.0014","90","","96.804","0.002","90","","7362.9","0.8","140","0.1","140","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Cu I S2 -","- C16 H26 Cu I S2 -","- C256 H416 Cu16 I16 S32 -","16","2","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0165","0.0162","","","0.039","0.0391","","","","","","1.147","","","","has coordinates","292943","2024-07-05","15:19:35",""
"7248621","11.9606","0.0016","19.095","0.003","21.026","0.003","96.658","0.004","105.219","0.004","105.342","0.004","4379","1.1","300","0.1","300","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C64 H104 Cu8 I8 S8 -","- C64 H104 Cu8 I8 S8 -","- C128 H208 Cu16 I16 S16 -","2","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0825","0.0573","","","0.1493","0.1673","","","","","","1.04","","","","has coordinates,has disorder","292943","2024-07-05","15:19:35",""
"7248622","11.8961","0.0004","18.938","0.0007","20.9008","0.0007","97.0884","0.0014","104.746","0.0013","104.317","0.0013","4324.1","0.3","250","0.1","250","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C64 H104 Cu8 I8 S8 -","- C64 H104 Cu8 I8 S8 -","- C128 H208 Cu16 I16 S16 -","2","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0557","0.0397","","","0.0899","0.1021","","","","","","1.067","","","","has coordinates,has disorder","292943","2024-07-05","15:19:35",""
"7248623","11.8439","0.0004","18.8172","0.0005","20.8187","0.0006","97.3254","0.001","104.554","0.001","103.639","0.001","4277.4","0.2","200","0.1","200","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C64 H104 Cu8 I8 S8 -","- C64 H104 Cu8 I8 S8 -","- C128 H208 Cu16 I16 S16 -","2","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0376","0.0309","","","0.067","0.0725","","","","","","1.08","","","","has coordinates,has disorder","292943","2024-07-05","15:19:35",""
"7248624","31.9681","0.0008","10.2932","0.0002","23.199","0.0007","90","","97.095","0.001","90","","7575.3","0.3","300","0.1","300","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Cu I S2 -","- C16 H26 Cu I S2 -","- C256 H416 Cu16 I16 S32 -","16","2","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0254","0.0198","","","0.0511","0.0527","","","","","","1.041","","","","has coordinates","292943","2024-07-05","15:19:35",""
"7248625","31.903","0.002","10.2246","0.0007","23.0547","0.0015","90","","96.911","0.002","90","","7465.7","0.8","220","0.1","220","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Cu I S2 -","- C16 H26 Cu I S2 -","- C256 H416 Cu16 I16 S32 -","16","2","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0171","0.0165","","","0.0411","0.0414","","","","","","1.163","","","","has coordinates","292943","2024-07-05","15:19:35",""
"7248626","31.932","0.002","10.2558","0.0007","23.1217","0.0016","90","","96.952","0.003","90","","7516.4","0.9","260","0.1","260","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Cu I S2 -","- C16 H26 Cu I S2 -","- C256 H416 Cu16 I16 S32 -","16","2","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0189","0.0177","","","0.0432","0.0438","","","","","","1.124","","","","has coordinates","292943","2024-07-05","15:19:35",""
"7248627","11.7692","0.0004","18.6908","0.0005","20.6753","0.0006","97.209","0.001","104.899","0.001","103.037","0.001","4199.8","0.2","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C64 H104 Cu8 I8 S8 -","- C64 H104 Cu8 I8 S8 -","- C128 H208 Cu16 I16 S16 -","2","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0335","0.0288","","","0.0571","0.0601","","","","","","1.025","","","","has coordinates,has disorder","292943","2024-07-05","15:19:35",""
"7248628","31.8836","0.0012","10.19","0.0004","22.9758","0.0009","90","","96.839","0.001","90","","7411.6","0.5","180","0.1","180","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Cu I S2 -","- C16 H26 Cu I S2 -","- C256 H416 Cu16 I16 S32 -","16","2","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0169","0.0165","","","0.0401","0.0403","","","","","","1.157","","","","has coordinates","292943","2024-07-05","15:19:35",""
"7248629","9.1382","0.0011","9.9911","0.0008","11.27","0.001","65.156","0.004","70.131","0.004","84.401","0.005","876.92","0.15","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 Br2 Cu S2 -","- C12 H22 Br2 Cu S2 -","- C24 H44 Br4 Cu2 S4 -","2","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0216","0.0197","","","0.047","0.0479","","","","","","1.048","","","","has coordinates","292943","2024-07-05","15:19:35",""
"7248630","31.839","0.002","10.1369","0.0007","22.8562","0.0015","90","","96.789","0.002","90","","7325.1","0.8","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Cu I S2 -","- C16 H26 Cu I S2 -","- C256 H416 Cu16 I16 S32 -","16","2","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0163","0.0161","","","0.0388","0.0389","","","","","","1.169","","","","has coordinates","292943","2024-07-05","15:19:35",""
"7248631","11.7999","0.0004","18.7275","0.0005","20.7647","0.0006","97.4108","0.001","104.635","0.001","103.105","0.001","4238.8","0.2","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C64 H104 Cu8 I8 S8 -","- C64 H104 Cu8 I8 S8 -","- C128 H208 Cu16 I16 S16 -","2","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0334","0.0289","","","0.0568","0.0604","","","","","","1.086","","","","has coordinates,has disorder","292943","2024-07-05","15:19:35",""
"7248632","3.68025","0.00019","9.5291","0.0006","13.5746","0.0007","83.751","0.005","87.678","0.004","81.873","0.005","468.32","0.05","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H2 N2 O2 S -","- C3 H2 N2 O2 S -","- C12 H8 N8 O8 S4 -","4","2","","Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa","Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?","CrystEngComm","2024","26","22","2918","2927","10.1039/D4CE00273C","","","1.54184","CuKα","","0.0459","0.0455","","","0.1346","0.1351","","","","","","1.094","","","","has coordinates","292945","2024-07-05","15:20:12",""
"7248633","3.70347","0.00015","6.3835","0.0003","29.2533","0.0011","90","","92.866","0.004","90","","690.72","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H4 N2 O2 S -","- C7 H4 N2 O2 S -","- C28 H16 N8 O8 S4 -","4","1","","Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa","Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?","CrystEngComm","2024","26","22","2918","2927","10.1039/D4CE00273C","","","0.71073","MoKα","","0.0508","0.0404","","","0.0766","0.0806","","","","","","1.089","","","","has coordinates","292945","2024-07-05","15:20:13",""
"7248634","3.922","0.0001","17.4283","0.0004","11.878","0.0003","90","","91.753","0.002","90","","811.53","0.03","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 N2 O2 S -","- C8 H6 N2 O2 S -","- C32 H24 N8 O8 S4 -","4","1","","Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa","Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?","CrystEngComm","2024","26","22","2918","2927","10.1039/D4CE00273C","","","1.54184","CuKα","","0.0363","0.0317","","","0.084","0.0887","","","","","","1.051","","","","has coordinates","292945","2024-07-05","15:20:13",""
"7248635","20.3375","0.0006","3.81288","0.0001","22.5207","0.0007","90","","109.866","0.003","90","","1642.43","0.09","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 N2 O2 S -","- C8 H6 N2 O2 S -","- C64 H48 N16 O16 S8 -","8","2","","Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa","Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?","CrystEngComm","2024","26","22","2918","2927","10.1039/D4CE00273C","","","1.54184","CuKα","","0.0446","0.0388","","","0.1018","0.1068","","","","","","1.042","","","","has coordinates","292945","2024-07-05","15:20:13",""
"7248636","6.9301","0.0004","7.3617","0.0004","8.2491","0.0004","91.5","0.005","107.919","0.005","115.929","0.006","353.72","0.04","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H4 N2 O2 S -","- C7 H4 N2 O2 S -","- C14 H8 N4 O4 S2 -","2","1","","Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa","Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?","CrystEngComm","2024","26","22","2918","2927","10.1039/D4CE00273C","","x-ray","1.54184","CuKα","","0.0369","0.0347","","","0.0951","0.0965","","","","","","1.062","","","","has coordinates","292945","2024-07-05","15:20:13",""
"7248637","10.02071","0.00014","3.83488","0.00005","21.0716","0.0003","90","","95.3939","0.0013","90","","806.159","0.019","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 N2 O2 Se -","- C8 H6 N2 O2 Se -","- C32 H24 N8 O8 Se4 -","4","1","","Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa","Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?","CrystEngComm","2024","26","22","2918","2927","10.1039/D4CE00273C","","","1.54184","CuKα","","0.0232","0.0225","","","0.0585","0.0592","","","","","","1.078","","","","has coordinates","292945","2024-07-05","15:20:13",""
"7248638","12.8823","0.0006","3.76622","0.00018","15.6812","0.0008","90","","112.529","0.006","90","","702.75","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 N2 O2 Se -","- C7 H4 N2 O2 Se -","- C28 H16 N8 O8 Se4 -","4","1","","Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa","Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?","CrystEngComm","2024","26","22","2918","2927","10.1039/D4CE00273C","","","0.71073","MoKα","","0.051","0.0376","","","0.0768","0.0832","","","","","","1.051","","","","has coordinates","292945","2024-07-05","15:20:13",""
"7248639","3.97381","0.0001","6.41163","0.00017","33.4053","0.0007","90","","92.357","0.002","90","","850.4","0.04","130","","130","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 N2 O2 Se -","- C8 H6 N2 O2 Se -","- C32 H24 N8 O8 Se4 -","4","1","","Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa","Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?","CrystEngComm","2024","26","22","2918","2927","10.1039/D4CE00273C","","x-ray","1.54184","CuKα","","0.0486","0.0476","","","0.1122","0.1142","","","","","","1.211","","","","has coordinates","292945","2024-07-05","15:20:13",""
"7248640","8.0711","0.0003","7.5844","0.0002","12.2026","0.0004","90","","105.733","0.003","90","","718.99","0.04","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H4 N2 O2 Se -","- C7 H4 N2 O2 Se -","- C28 H16 N8 O8 Se4 -","4","1","","Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa","Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?","CrystEngComm","2024","26","22","2918","2927","10.1039/D4CE00273C","","","1.54184","CuKα","","0.0421","0.041","","","0.1097","0.1106","","","","","","1.196","","","","has coordinates","292945","2024-07-05","15:20:14",""
"7248641","6.9862","0.0002","7.4451","0.0002","10.5854","0.0002","92.553","0.002","97.855","0.002","91.766","0.002","544.49","0.02","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 B F O2 Si -","- C10 H10 B F O2 Si -","- C20 H20 B2 F2 O4 Si2 -","2","1","","Pacholak, P.; Durka, K.; Woźniak, K.; Krajewska, J.; Laudy, A. E.; Luliński, S.","Ethynyl-substituted benzosiloxaboroles: the role of C(π)⋯B interactions in their crystal packing and use in Cu(i)-catalyzed 1,3-dipolar cycloaddition","RSC Advances","2024","14","23","16069","16082","10.1039/D4RA02137A","","x-ray","0.71073","MoKα","","0.0304","0.0284","","","0.0768","0.0783","","","","","","1.046","","","","has coordinates","291948","2024-05-18","01:09:47",""
"7248642","8.6127","0.0002","7.0177","0.0002","11.1617","0.0003","90","","97.153","0.002","90","","669.38","0.03","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","6-Ethynyl-7-fluoro-1,1-dimethylbenzo[c][1,2,5]oxasilaborol-3(1H)-ol MeCN monosolvate","","- C12 H13 B F N O2 Si -","- C12 H13 B F N O2 Si -","- C24 H26 B2 F2 N2 O4 Si2 -","2","0.5","","Pacholak, P.; Durka, K.; Woźniak, K.; Krajewska, J.; Laudy, A. E.; Luliński, S.","Ethynyl-substituted benzosiloxaboroles: the role of C(π)⋯B interactions in their crystal packing and use in Cu(i)-catalyzed 1,3-dipolar cycloaddition","RSC Advances","2024","14","23","16069","16082","10.1039/D4RA02137A","","x-ray","0.71073","MoKα","","0.0402","0.0335","","","0.0916","0.0971","","","","","","1.085","","","","has coordinates","291948","2024-05-18","01:09:47",""
"7248643","6.9876","0.0003","7.7137","0.0004","10.6833","0.0005","85.701","0.004","81.858","0.004","89.401","0.004","568.42","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","6-Ethynyl-7-chloro-1,1-dimethylbenzo[c][1,2,5]oxasilaborol-3(1H)-ol","","- C10 H10 B Cl O2 Si -","- C10 H10 B Cl O2 Si -","- C20 H20 B2 Cl2 O4 Si2 -","2","1","","Pacholak, P.; Durka, K.; Woźniak, K.; Krajewska, J.; Laudy, A. E.; Luliński, S.","Ethynyl-substituted benzosiloxaboroles: the role of C(π)⋯B interactions in their crystal packing and use in Cu(i)-catalyzed 1,3-dipolar cycloaddition","RSC Advances","2024","14","23","16069","16082","10.1039/D4RA02137A","","x-ray","1.54184","CuKα","","0.0302","0.03","","","0.0773","0.0775","","","","","","1.084","","","","has coordinates","291948","2024-05-18","01:09:48",""
"7248644","8.8484","0.0004","11.1678","0.0004","12.0146","0.0005","89.089","0.003","77.254","0.003","80.69","0.003","1142.5","0.08","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","7-Fluoro-1,1-dimethyl-6-(1-(2-fluorophenylsulfonyl)-1H-1,2,3-triazol-4-yl)benzo[c][1,2,5]oxasilaborol-3(1H)-ol","","- C17 H15 B Cl3 F2 N3 O4 S Si -","- C17 H15 B Cl3 F2 N3 O4 S Si -","- C34 H30 B2 Cl6 F4 N6 O8 S2 Si2 -","2","1","","Pacholak, P.; Durka, K.; Woźniak, K.; Krajewska, J.; Laudy, A. E.; Luliński, S.","Ethynyl-substituted benzosiloxaboroles: the role of C(π)⋯B interactions in their crystal packing and use in Cu(i)-catalyzed 1,3-dipolar cycloaddition","RSC Advances","2024","14","23","16069","16082","10.1039/D4RA02137A","","x-ray","0.71073","MoKα","","0.067","0.0489","","","0.1085","0.1181","","","","","","1.035","","","","has coordinates,has disorder","291948","2024-05-18","01:09:48",""
"7248645","12.2547","0.0002","21.3124","0.0004","14.789","0.0002","90","","91.981","0.001","90","","3860.24","0.11","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 F2 N8 O5 S2 Si2 -","- C36 H40 F2 N8 O5 S2 Si2 -","- C144 H160 F8 N32 O20 S8 Si8 -","4","1","","Pacholak, P.; Durka, K.; Woźniak, K.; Krajewska, J.; Laudy, A. E.; Luliński, S.","Ethynyl-substituted benzosiloxaboroles: the role of C(π)⋯B interactions in their crystal packing and use in Cu(i)-catalyzed 1,3-dipolar cycloaddition","RSC Advances","2024","14","23","16069","16082","10.1039/D4RA02137A","","x-ray","1.54178","CuKα","","0.0497","0.0445","","","0.117","0.1226","","","","","","1.017","","","","has coordinates","291948","2024-05-18","01:09:48",""
"7248646","15.7378","0.0004","5.9671","0.0001","21.2618","0.0005","90","","97.318","0.002","90","","1980.41","0.08","100","2","100","2","","","","","","","","9","P 1 2/c 1","-P 2yc","13","","4-(7-Fluoro-3-hydroxy-1,1-dimethyl-1,3-dihydrobenzo[c][1,2,5]oxasilaborol-6-yl)-1H-1,2,3-triazol-3-ium 4-chlorophenylsulfonate","","- C16 H16 B Cl F N3 O5 S Si -","- C16 H16 B Cl F N3 O5 S Si -","- C64 H64 B4 Cl4 F4 N12 O20 S4 Si4 -","4","1","","Pacholak, P.; Durka, K.; Woźniak, K.; Krajewska, J.; Laudy, A. E.; Luliński, S.","Ethynyl-substituted benzosiloxaboroles: the role of C(π)⋯B interactions in their crystal packing and use in Cu(i)-catalyzed 1,3-dipolar cycloaddition","RSC Advances","2024","14","23","16069","16082","10.1039/D4RA02137A","","","1.54178","CuKα","","0.036","0.0298","","","0.0764","0.081","","","","","","1.04","","","","has coordinates","291948","2024-05-18","01:09:48",""
"7248647","17.0824","0.0002","17.9419","0.0002","30.7631","0.0004","90","","96.314","0.001","90","","9371.4","0.2","148","0.3","148","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H94 Hf6 O40 -","- C64 H94 Hf6 O40 -","- C256 H376 Hf24 O160 -","4","1","","Wang, Hao-Cheng; Liu, Xiao; Ma, Jian-Gong; Cheng, Peng","Rapid and high-throughput synthesis of diverse MOFs with centrifuge tube grinding strategy","Green Chemistry","2024","26","12","7312","7319","10.1039/D4GC00865K","","x-ray","0.71073","MoKα","","0.0842","0.0625","","","0.1182","0.1286","","","","","","1.18","","","","has coordinates","293174","2024-07-05","17:25:48",""
"7248648","10.3627","0.0006","18.5962","0.0011","16.5939","0.001","90","","106.222","0.002","90","","3070.4","0.3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 Cu2 N8 O42 S2 W10 -","- C28 H42 Cu2 N8 O42 S2 W10 -","- C56 H84 Cu4 N16 O84 S4 W20 -","2","0.5","","Wang, Meiying; Jia, Chunbo; Hui, Hehua; Xu, Qianxiang; Li, Xiang; Ren, Yuanhang; Yue, Bin; He, Heyong","Engineering the heterogeneous photocatalytic activity of crystalline decatungstate-based coordination polymers","CrystEngComm","2024","26","25","3303","3310","10.1039/D4CE00391H","","","1.34138","GaKα","","0.0499","0.0379","","","0.0797","0.0855","","","","","","1.044","","","","has coordinates,has disorder","292966","2024-07-05","15:29:48",""
"7248649","10.8085","0.0004","16.8447","0.0006","18.0408","0.0007","90","","106.909","0.002","90","","3142.6","0.2","284","2","284","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Cu2 N8 O38 S4 W10 -","- C32 H40 Cu2 N8 O38 S4 W10 -","- C64 H80 Cu4 N16 O76 S8 W20 -","2","0.5","","Wang, Meiying; Jia, Chunbo; Hui, Hehua; Xu, Qianxiang; Li, Xiang; Ren, Yuanhang; Yue, Bin; He, Heyong","Engineering the heterogeneous photocatalytic activity of crystalline decatungstate-based coordination polymers","CrystEngComm","2024","26","25","3303","3310","10.1039/D4CE00391H","","","1.34138","GaKα","","0.0422","0.0362","","","0.0858","0.089","","","","","","1.1","","","","has coordinates,has disorder","292966","2024-07-05","15:29:48",""
"7248650","16.7303","0.0008","17.5503","0.0008","18.9281","0.0009","90","","90","","90","","5557.7","0.5","226","2","226","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H33 Cu2 N8 O32.5 W10 -","- C40 H33 Cu2 N8 O32.5 W10 -","- C160 H132 Cu8 N32 O130 W40 -","4","0.5","","Wang, Meiying; Jia, Chunbo; Hui, Hehua; Xu, Qianxiang; Li, Xiang; Ren, Yuanhang; Yue, Bin; He, Heyong","Engineering the heterogeneous photocatalytic activity of crystalline decatungstate-based coordination polymers","CrystEngComm","2024","26","25","3303","3310","10.1039/D4CE00391H","","","1.34138","GaKα","","0.0373","0.0297","","","0.0673","0.0704","","","","","","1.079","","","","has coordinates","292966","2024-07-05","15:29:48",""
"7248651","15.4754","0.0004","20.748","0.0006","22.0378","0.0005","90","","90.783","0.001","90","","7075.3","0.3","304","2","304","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H66 Cu N7 O34 S W10 -","- C48 H66 Cu N7 O34 S W10 -","- C192 H264 Cu4 N28 O136 S4 W40 -","4","1","","Wang, Meiying; Jia, Chunbo; Hui, Hehua; Xu, Qianxiang; Li, Xiang; Ren, Yuanhang; Yue, Bin; He, Heyong","Engineering the heterogeneous photocatalytic activity of crystalline decatungstate-based coordination polymers","CrystEngComm","2024","26","25","3303","3310","10.1039/D4CE00391H","","","0.71073","MoKα","","0.0506","0.0394","","","0.0865","0.0916","","","","","","1.067","","","","has coordinates,has disorder","292966","2024-07-05","15:29:48",""
"7248652","5.4941","0.0002","9.8998","0.0003","12.7267","0.0005","82.824","0.003","80.97","0.003","75.189","0.003","658.31","0.04","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 Ag F5 O3 -","- C11 H10 Ag F5 O3 -","- C22 H20 Ag2 F10 O6 -","2","1","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0472","0.0452","","","0.1292","0.1311","","","","","","1.072","","","","has coordinates,has disorder","292979","2024-07-05","15:35:20",""
"7248653","14.4142","0.0001","23.8477","0.0001","15.1372","0.0001","90","","93.326","0.001","90","","5194.58","0.05","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C46 H36 Ag4 F20 O17 -","- C46 H36 Ag4 F20 O17 -","- C184 H144 Ag16 F80 O68 -","4","1","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0219","0.0197","","","0.0524","0.0535","","","","","","1.077","","","","has coordinates,has disorder","292979","2024-07-05","15:35:20",""
"7248654","5.59808","0.00005","10.23969","0.0001","12.79989","0.0001","97.6393","0.0007","96.3916","0.0007","102.328","0.0007","703.009","0.011","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Ag F5 O3 -","- C12 H12 Ag F5 O3 -","- C24 H24 Ag2 F10 O6 -","2","1","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0138","0.0135","","","0.0327","0.0328","","","","","","1.055","","","","has coordinates","292979","2024-07-05","15:35:20",""
"7248655","17.79831","0.00019","5.58069","0.00005","25.9618","0.0002","90","","104.576","0.001","90","","2495.71","0.04","120.01","0.1","120.01","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H14 Ag2 F10 O5 -","- C24.001 H14.0025 Ag2 F10 O5 -","- C96.004 H56.01 Ag8 F40 O20 -","4","1","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0237","0.0216","","","0.0514","0.0525","","","","","","1.024","","","","has coordinates,has disorder","292979","2024-07-05","15:35:20",""
"7248656","5.695","0.0001","17.0008","0.0003","14.7939","0.0003","90","","97.036","0.002","90","","1421.55","0.05","120","0.1","120","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Ag F5 O2 -","- C15 H10 Ag F5 O2 -","- C60 H40 Ag4 F20 O8 -","4","1","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.026","0.0232","","","0.0579","0.0592","","","","","","1.052","","","","has coordinates","292979","2024-07-05","15:35:20",""
"7248657","5.5552","0.0002","16.061","0.0007","20.9338","0.0006","74.645","0.003","89.103","0.003","80.35","0.003","1774.79","0.12","120","2","120","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H6 Ag4 F20 O10 -","- C31 H6 Ag4 F20 O10 -","- C62 H12 Ag8 F40 O20 -","2","1","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0905","0.0465","","","0.0809","0.0924","","","","","","1.011","","","","has coordinates","292979","2024-07-05","15:35:20",""
"7248658","5.69188","0.00013","12.5817","0.0003","17.9282","0.0006","105.107","0.003","90.214","0.002","90.163","0.002","1239.51","0.06","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H12 Ag2 F10 O4 -","- C26 H12 Ag2 F10 O4 -","- C52 H24 Ag4 F20 O8 -","2","1","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0532","0.044","","","0.1057","0.1091","","","","","","1.148","","","","has coordinates","292979","2024-07-05","15:35:20",""
"7248659","13.9355","0.0002","5.5125","0.0001","22.5133","0.0002","90","","93.604","0.001","90","","1726.04","0.04","120","0.1","120","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 Ag F5 O3 -","- C17 H16 Ag F5 O3 -","- C68 H64 Ag4 F20 O12 -","4","1","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0317","0.0266","","","0.0585","0.0602","","","","","","1.046","","","","has coordinates","292979","2024-07-05","15:35:20",""
"7248660","7.2534","0.0003","11.0121","0.0005","13.8225","0.0006","85.841","0.004","85.713","0.003","84.263","0.003","1093.11","0.08","120","0.11","120","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C50 H40 Ag2 F10 O8 -","- C50 H40 Ag2 F10 O8 -","- C50 H40 Ag2 F10 O8 -","1","0.5","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0445","0.0355","","","0.0756","0.0793","","","","","","1.049","","","","has coordinates,has disorder","292979","2024-07-05","15:35:20",""
"7248661","5.5278","0.0001","8.6031","0.0001","13.1699","0.0002","103.225","0.001","94.823","0.002","100.843","0.002","593.499","0.017","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Ag F5 O3 -","- C11 H8 Ag F5 O3 -","- C22 H16 Ag2 F10 O6 -","2","1","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0167","0.0163","","","0.0421","0.0422","","","","","","1.116","","","","has coordinates","292979","2024-07-05","15:35:20",""
"7248662","12.4062","0.0003","13.45738","0.00019","13.9666","0.0003","85.3721","0.0016","70.664","0.002","86.9586","0.0016","2192.23","0.08","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C41 H36 Ag3 F15 O8 -","- C41 H36 Ag3 F15 O8 -","- C82 H72 Ag6 F30 O16 -","2","1","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0319","0.0306","","","0.0793","0.0802","","","","","","1.028","","","","has coordinates,has disorder","292979","2024-07-05","15:35:20",""
"7248663","5.6097","0.0001","55.4509","0.0015","13.6451","0.0004","90","","97.194","0.002","90","","4211.07","0.18","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H16 Ag4 F20 O8 -","- C42 H16 Ag4 F20 O8 -","- C168 H64 Ag16 F80 O32 -","4","1","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0662","0.0528","","","0.1267","0.1333","","","","","","1.047","","","","has coordinates","292979","2024-07-05","15:35:20",""
"7248664","5.51822","0.00013","9.8945","0.0005","13.0489","0.0003","75.275","0.003","85.88","0.002","79.845","0.003","678","0.04","120","2","120","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Ag F5 O3 -","- C12 H10 Ag F5 O3 -","- C24 H20 Ag2 F10 O6 -","2","1","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0413","0.0373","","","0.1027","0.1058","","","","","","1.093","","","","has coordinates,has disorder","292979","2024-07-05","15:35:20",""
"7248665","6.9141","0.0003","5.561","0.0002","37.1068","0.0011","90","","93.837","0.003","90","","1423.53","0.09","120","2","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H5 Ag2 F5 O4 -","- C14 H5 Ag2 F5 O4 -","- C56 H20 Ag8 F20 O16 -","4","1","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.06","0.047","","","0.1143","0.1201","","","","","","1.04","","","","has coordinates","292979","2024-07-05","15:35:20",""
"7248666","14.608","0.0004","9.2325","0.0002","18.5937","0.0004","90","","103.76","0.002","90","","2435.73","0.1","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H10 Ag2 F10 O5 -","- C26 H10 Ag2 F10 O5 -","- C104 H40 Ag8 F40 O20 -","4","1","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0444","0.0332","","","0.075","0.0792","","","","","","1.023","","","","has coordinates","292979","2024-07-05","15:35:20",""
"7248667","22.181","0.004","26.777","0.006","31.548","0.007","90","","90","","90","","18738","7","150","2","150","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C156 H168 F9 N12 O15 S3 Yb -","- C156 H168 F9 N12 O15 S3 Yb -","- C624 H672 F36 N48 O60 S12 Yb4 -","4","1","","Sickinger, Annika; Grasser, Maxime; Baguenard, Bruno; Bensalah-Ledoux, Amina; Guy, Laure; Bui, Anh Thy; Guyot, Yannick; Dorcet, Vincent; Pointillart, Fabrice; Cador, Olivier; Guy, Stéphan; Maury, Olivier; Le Guennic, Boris; Riobé, François","Temperature-dependent NIR-CPL spectra of chiral Yb(III) complexes.","Physical chemistry chemical physics : PCCP","2024","26","21","15776","15783","10.1039/d4cp01286k","","x-ray","0.71073","MoKα","","0.0784","0.0485","","","0.1167","0.1354","","","","","","1.015","","","","has coordinates,has disorder","293294","2024-07-05","18:09:40",""
"7248668","22.207","0.004","26.8","0.005","31.519","0.005","90","","90","","90","","18758","6","150","2","150","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C156 H168 F9 N12 O15 S3 Yb -","- C156 H168 F9 N12 O15 S3 Yb -","- C624 H672 F36 N48 O60 S12 Yb4 -","4","1","","Sickinger, Annika; Grasser, Maxime; Baguenard, Bruno; Bensalah-Ledoux, Amina; Guy, Laure; Bui, Anh Thy; Guyot, Yannick; Dorcet, Vincent; Pointillart, Fabrice; Cador, Olivier; Guy, Stéphan; Maury, Olivier; Le Guennic, Boris; Riobé, François","Temperature-dependent NIR-CPL spectra of chiral Yb(III) complexes.","Physical chemistry chemical physics : PCCP","2024","26","21","15776","15783","10.1039/d4cp01286k","","x-ray","0.71073","MoKα","","0.15","0.0755","","","0.1806","0.2221","","","","","","0.977","","","","has coordinates,has disorder","293294","2024-07-05","18:09:40",""
"7248669","14.6813","0.0005","15.2077","0.0005","16.935","0.0006","90","","110.478","0.001","90","","3542.1","0.2","170","2","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H49 Cl N2 O2 Pd -","- C38 H49 Cl N2 O2 Pd -","- C152 H196 Cl4 N8 O8 Pd4 -","4","1","","Chen, Wei; Chen, Kai; Wang, Xuejie; Yang, Linjie; Chen, Wanzhi","Pd/NHC catalyzed reduction and coupling of nitroaromatics for the synthesis of diarylamines","RSC Advances","2024","14","24","16624","16628","10.1039/D4RA00921E","","","0.71073","MoKα","","0.032","0.0248","","","0.0558","0.0591","","","","","","1.044","","","","has coordinates","292000","2024-05-23","01:12:12",""
"7248670","7.1937","0.0002","9.3874","0.0003","8.8093","0.0003","90","","98.709","0.001","90","","588.03","0.03","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O6 -","- C12 H16 O6 -","- C24 H32 O12 -","2","0.5","","Lebedeva, Daria; Schick, Lars William; Cracco, Daniel; Sangsuwan, Withsakorn; Castiella-Ona, Gonzalo; Silva, Dagoberto O.; Marson, Alessandro; Svensson Grape, Erik; Inge, A. Ken; Rossi, Liane M.; Subbotina, Elena; Manzardo, Alessandro; Samec, Joseph S. M.","Sustainable aviation fuel from prehydrolysis liquors","Green Chemistry","2024","26","12","7258","7267","10.1039/D4GC01257G","","","1.54178","CuKα","","0.037","0.0336","","","0.0828","0.0855","","","","","","1.075","","","","has coordinates","293172","2024-07-05","17:25:20",""
"7248671","10.5173","0.0006","8.615","0.0005","26.809","0.0015","90","","90","","90","","2429.1","0.2","294","2","294","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H16 O6 -","- C12 H16 O6 -","- C96 H128 O48 -","8","1","","Lebedeva, Daria; Schick, Lars William; Cracco, Daniel; Sangsuwan, Withsakorn; Castiella-Ona, Gonzalo; Silva, Dagoberto O.; Marson, Alessandro; Svensson Grape, Erik; Inge, A. Ken; Rossi, Liane M.; Subbotina, Elena; Manzardo, Alessandro; Samec, Joseph S. M.","Sustainable aviation fuel from prehydrolysis liquors","Green Chemistry","2024","26","12","7258","7267","10.1039/D4GC01257G","","","1.54178","CuKα","","0.0489","0.0431","","","0.1121","0.1172","","","","","","1.048","","","","has coordinates","293172","2024-07-05","17:25:30",""
"7248672","9.4404","0.0003","14.2743","0.0004","9.8596","0.0003","90","","111.083","0.001","90","","1239.69","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O6 -","- C12 H16 O6 -","- C48 H64 O24 -","4","1","","Lebedeva, Daria; Schick, Lars William; Cracco, Daniel; Sangsuwan, Withsakorn; Castiella-Ona, Gonzalo; Silva, Dagoberto O.; Marson, Alessandro; Svensson Grape, Erik; Inge, A. Ken; Rossi, Liane M.; Subbotina, Elena; Manzardo, Alessandro; Samec, Joseph S. M.","Sustainable aviation fuel from prehydrolysis liquors","Green Chemistry","2024","26","12","7258","7267","10.1039/D4GC01257G","","","1.54178","CuKα","","0.0465","0.043","","","0.1408","0.1467","","","","","","0.936","","","","has coordinates","293172","2024-07-05","17:25:30",""
"7248673","27.317","0.005","8.519","0.005","19.641","0.005","90","0.005","127.83","0.005","90","0.005","3610","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 N3 O -","- C21 H19 N3 O -","- C168 H152 N24 O8 -","8","1","","Dunkel, Petra; Bogdán, Dóra; Deme, Ruth; Zimber, Ádám; Ballayová, Veronika; Csizmadia, Eszter; Kontra, Bence; Kalydi, Eszter; Bényei, Attila; Mátyus, Péter; Mucsi, Zoltán","C(sp3)–H cyclizations of 2-(2-vinyl)phenoxy-tert-anilines","RSC Advances","2024","14","24","16784","16800","10.1039/D3RA08974F","","","0.71069","MoKα","","0.1174","0.0726","","","","0.1909","","","","","","1.061","","","","has coordinates","292013","2024-05-24","01:09:28",""
"7248674","8.745","0.001","9.836","0.001","17.535","0.001","90","","90","","90","","1508.3","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N3 O -","- C18 H15 N3 O -","- C72 H60 N12 O4 -","4","1","","Dunkel, Petra; Bogdán, Dóra; Deme, Ruth; Zimber, Ádám; Ballayová, Veronika; Csizmadia, Eszter; Kontra, Bence; Kalydi, Eszter; Bényei, Attila; Mátyus, Péter; Mucsi, Zoltán","C(sp3)–H cyclizations of 2-(2-vinyl)phenoxy-tert-anilines","RSC Advances","2024","14","24","16784","16800","10.1039/D3RA08974F","","","0.71073","MoKα","","0.0694","0.0562","","","","0.1396","","","","","","1.095","","","","has coordinates","292013","2024-05-24","01:09:28",""
"7248675","9.4328","0.0002","9.8482","0.0003","18.3159","0.0007","90.907","0.003","94.232","0.002","90.018","0.002","1696.62","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H38 Cl4 N4 O7 -","- C31 H38 Cl4 N4 O7 -","- C62 H76 Cl8 N8 O14 -","2","1","","Breckell, Jaxon R.; Conte, Luke; Potts, Michael W.; Sawant, Pradnya S.; Butcher, Raymond J.; Vernekar, Beena K.; Richardson, Christopher","New diclofenac salts with the dense hydrogen bond donor propane-1,3-diaminium","CrystEngComm","2024","26","24","3206","3216","10.1039/D4CE00397G","","","0.71073","MoKα","","0.0807","0.0437","","","0.0981","0.1116","","","","","","1.041","","","","has coordinates","292940","2024-07-05","15:18:26",""
"7248676","9.6753","0.0003","9.9173","0.0003","19.001","0.0005","88.365","0.002","79.728","0.003","88.551","0.003","1792.87","0.09","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","","","- C33 H40 Cl4 N4 O6 -","- C33 H40 Cl4 N4 O6 -","- C66 H80 Cl8 N8 O12 -","2","1","","Breckell, Jaxon R.; Conte, Luke; Potts, Michael W.; Sawant, Pradnya S.; Butcher, Raymond J.; Vernekar, Beena K.; Richardson, Christopher","New diclofenac salts with the dense hydrogen bond donor propane-1,3-diaminium","CrystEngComm","2024","26","24","3206","3216","10.1039/D4CE00397G","","","0.71073","MoKα","","0.0629","0.0438","","","0.1159","0.1265","","","","","","1.035","","","","has coordinates,has disorder","292940","2024-07-05","15:18:26",""
"7248677","9.488","0.0003","9.7666","0.0003","18.9486","0.0007","88.206","0.003","78.488","0.003","88.798","0.003","1719.52","0.1","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H40 Cl4 N4 O5 -","- C34 H40 Cl4 N4 O5 -","- C68 H80 Cl8 N8 O10 -","2","1","","Breckell, Jaxon R.; Conte, Luke; Potts, Michael W.; Sawant, Pradnya S.; Butcher, Raymond J.; Vernekar, Beena K.; Richardson, Christopher","New diclofenac salts with the dense hydrogen bond donor propane-1,3-diaminium","CrystEngComm","2024","26","24","3206","3216","10.1039/D4CE00397G","","x-ray","1.54184","CuKα","","0.0916","0.077","","","0.2267","0.2583","","","","","","1.083","","","","has coordinates,has disorder","292940","2024-07-05","15:18:26",""
"7248678","9.6066","0.0005","43.035","0.002","9.7812","0.0005","90","","90","","90","","4043.7","0.3","294","1","294","1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C35 H44 Cl4 N4 O6 S2 -","- C35 H44 Cl4 N4 O6 S2 -","- C140 H176 Cl16 N16 O24 S8 -","4","0.5","","Breckell, Jaxon R.; Conte, Luke; Potts, Michael W.; Sawant, Pradnya S.; Butcher, Raymond J.; Vernekar, Beena K.; Richardson, Christopher","New diclofenac salts with the dense hydrogen bond donor propane-1,3-diaminium","CrystEngComm","2024","26","24","3206","3216","10.1039/D4CE00397G","","","0.71073","MoKα","","0.1096","0.0665","","","0.1711","0.191","","","","","","1.045","","","","has coordinates,has disorder","292940","2024-07-05","15:18:26",""
"7248679","9.4529","0.0004","10.1381","0.0002","19.0267","0.0006","84.791","0.002","89.345","0.003","88.234","0.002","1814.95","0.1","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","","","- C33.01 H42.01 Cl4 N4 O7 -","- C33.004 H42.012 Cl4 N4 O7.002 -","- C66.008 H84.024 Cl8 N8 O14.004 -","2","1","","Breckell, Jaxon R.; Conte, Luke; Potts, Michael W.; Sawant, Pradnya S.; Butcher, Raymond J.; Vernekar, Beena K.; Richardson, Christopher","New diclofenac salts with the dense hydrogen bond donor propane-1,3-diaminium","CrystEngComm","2024","26","24","3206","3216","10.1039/D4CE00397G","","x-ray","0.71073","MoKα","","0.1","0.0615","","","0.1762","0.2059","","","","","","1.042","","","","has coordinates,has disorder","292940","2024-07-05","15:18:26",""
"7248680","9.3574","0.0001","36.5523","0.0005","10.2282","0.0002","90","","90.134","0.001","90","","3498.39","0.09","295","1","295","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H40 Cl4 N4 O8 -","- C31 H40 Cl4 N4 O8 -","- C124 H160 Cl16 N16 O32 -","4","2","","Breckell, Jaxon R.; Conte, Luke; Potts, Michael W.; Sawant, Pradnya S.; Butcher, Raymond J.; Vernekar, Beena K.; Richardson, Christopher","New diclofenac salts with the dense hydrogen bond donor propane-1,3-diaminium","CrystEngComm","2024","26","24","3206","3216","10.1039/D4CE00397G","","","0.71073","MoKα","","0.0474","0.0336","","","0.0756","0.081","","","","","","1.029","","","","has coordinates,has disorder","292940","2024-07-05","15:18:26",""
"7248681","10.979","0.0002","30.0354","0.0005","9.7195","0.0002","90","","90","","90","","3205.09","0.1","140.01","0.1","140.01","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C26 H29 Cl2 F13 N2 O4 -","- C26 H29 Cl2 F13 N2 O4 -","- C104 H116 Cl8 F52 N8 O16 -","4","1","","Zebret, Soumaila; Hadiji, Mouna; Romano-deGea, Jan; Bornet, Aurélien; Ortiz, Daniel; Fadaei Tirani, Farzaneh; Stathopoulos, Christina; Nowak-Sliwinska, Patrycja; Munier, Francis; Dyson, Paul Joseph","New melphalan derivatives for the treatment of retinoblastoma in combination with thermotherapy","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00211C","","x-ray","1.54184","CuKα","","0.0426","0.037","","","0.0912","0.0961","","","","","","1.026","","","","has coordinates","292023","2024-05-24","23:54:34",""
"7248682","22.4357","0.0014","5.2436","0.0003","27.9895","0.0018","90","","96.882","0.006","90","","3269.1","0.3","99.99","0.1","99.99","0.1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C25 H25 Cl3 F17 N3 O2 -","- C25 H25 Cl3 F17 N3 O2 -","- C100 H100 Cl12 F68 N12 O8 -","4","1","","Zebret, Soumaila; Hadiji, Mouna; Romano-deGea, Jan; Bornet, Aurélien; Ortiz, Daniel; Fadaei Tirani, Farzaneh; Stathopoulos, Christina; Nowak-Sliwinska, Patrycja; Munier, Francis; Dyson, Paul Joseph","New melphalan derivatives for the treatment of retinoblastoma in combination with thermotherapy","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00211C","","x-ray","1.54184","CuKα","","0.2102","0.1769","","","0.4322","0.4649","","","","","","1.83","","","","has coordinates","292023","2024-05-24","23:54:35",""
"7248683","11.0351","0.0003","32.0681","0.0009","9.7587","0.0002","90","","90","","90","","3453.36","0.15","140","0.1","140","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C28 H29 Cl2 F17 N2 O4 -","- C28 H29 Cl2 F17 N2 O4 -","- C112 H116 Cl8 F68 N8 O16 -","4","1","","Zebret, Soumaila; Hadiji, Mouna; Romano-deGea, Jan; Bornet, Aurélien; Ortiz, Daniel; Fadaei Tirani, Farzaneh; Stathopoulos, Christina; Nowak-Sliwinska, Patrycja; Munier, Francis; Dyson, Paul Joseph","New melphalan derivatives for the treatment of retinoblastoma in combination with thermotherapy","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00211C","","x-ray","1.54184","CuKα","","0.0443","0.0391","","","0.1015","0.1062","","","","","","1.04","","","","has coordinates","292023","2024-05-24","23:54:35",""
"7248684","10.9654","0.0012","34.582","0.006","9.7715","0.0013","90","","90","","90","","3705.4","0.9","140","0.1","140","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C30 H29 Cl2 F21 N2 O4 -","- C30 H29 Cl2 F21 N2 O4 -","- C120 H116 Cl8 F84 N8 O16 -","4","1","","Zebret, Soumaila; Hadiji, Mouna; Romano-deGea, Jan; Bornet, Aurélien; Ortiz, Daniel; Fadaei Tirani, Farzaneh; Stathopoulos, Christina; Nowak-Sliwinska, Patrycja; Munier, Francis; Dyson, Paul Joseph","New melphalan derivatives for the treatment of retinoblastoma in combination with thermotherapy","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00211C","","x-ray","1.54184","CuKα","","0.2309","0.1547","","","0.3789","0.4328","","","","","","1.212","","","","has coordinates,has disorder","292023","2024-05-24","23:54:35",""
"7248685","9.719","0.0005","9.719","0.0005","7.17","0.0006","90","","90","","120","","586.53","0.07","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","apatite","Pb~5.09~Ca~3.78~K~1.13~(PO~4~)~6~F~0.87~","","- Ca3.78 F0.87 K1.13 O24 P6 Pb5.09 -","- Ca3.776 F0.866 K1.134 O24 P6 Pb5.0884 -","- Ca3.776 F0.866 K1.134 O24 P6 Pb5.0884 -","1","0.0833333","","Hamza, Mariam; Hamdi, Besma; Ben Ahmed, Ali; Capitelli, Francesco; El Feki, Hafed","Synthesis of a new potassium-substituted lead fluorapatite and its structural characterization","RSC Advances","2024","14","24","16876","16885","10.1039/D4RA01014K","","","0.71073","MoKα","","0.0575","0.0309","","","0.0546","0.0614","","","","","","0.971","","","","has coordinates","292029","2024-05-25","01:08:21",""
"7248686","25.679","0.007","11.127","0.003","12.959","0.004","90","","96.868","0.003","90","","3676.2","1.8","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H24 Na O10 Re -","- C12 H24 Na O10 Re -","- C96 H192 Na8 O80 Re8 -","8","1","","Yuan, Guo-Jun; Pan, Xue-Wei; Gao, Yan; Jiang, You-Fang; Li, Li; Ren, Xiao-Ming","Comprehensively understanding the distinct properties of crystal structure, phase transition and dielectrics in [M(crown)n]ReO4 (M+ = Na+, K+, NH4+; crown = 15-crown-5, 18-crown-6; n = 1 or 2)","CrystEngComm","2024","26","27","3704","3713","10.1039/D4CE00435C","","","0.71073","MoKα","","0.0473","0.039","","","0.1031","0.1087","","","","","","1.083","","","","has coordinates,has disorder","293794","2024-08-05","18:26:55",""
"7248687","9.1","0.003","9.1","0.003","17.743","0.006","90","","90","","90","","1469.3","0.8","296","2","296.15","","","","","","","","","5","P 42/m","-P 4c","84","","","","- C20 H44 N O14 Re -","- C20 H44 N O14 Re -","- C40 H88 N2 O28 Re2 -","2","0.25","","Yuan, Guo-Jun; Pan, Xue-Wei; Gao, Yan; Jiang, You-Fang; Li, Li; Ren, Xiao-Ming","Comprehensively understanding the distinct properties of crystal structure, phase transition and dielectrics in [M(crown)n]ReO4 (M+ = Na+, K+, NH4+; crown = 15-crown-5, 18-crown-6; n = 1 or 2)","CrystEngComm","2024","26","27","3704","3713","10.1039/D4CE00435C","","","0.71073","MoKα","","0.1333","0.0838","","","0.2257","0.2607","","","","","","1.086","","","","has coordinates,has disorder","293794","2024-08-05","18:26:55",""
"7248688","8.3113","0.0002","15.5506","0.0004","14.6792","0.0004","90","","90","","90","","1897.22","0.08","108","2","108.15","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C24 H48 K2 O20 Re2 -","- C24 H48 K2 O20 Re2 -","- C48 H96 K4 O40 Re4 -","2","0.25","","Yuan, Guo-Jun; Pan, Xue-Wei; Gao, Yan; Jiang, You-Fang; Li, Li; Ren, Xiao-Ming","Comprehensively understanding the distinct properties of crystal structure, phase transition and dielectrics in [M(crown)n]ReO4 (M+ = Na+, K+, NH4+; crown = 15-crown-5, 18-crown-6; n = 1 or 2)","CrystEngComm","2024","26","27","3704","3713","10.1039/D4CE00435C","","","0.71073","MoKα","","0.0451","0.0437","","","0.122","0.1226","","","","","","1.312","","","","has coordinates,has disorder","293794","2024-08-05","18:26:55",""
"7248689","8.382","0.005","15.736","0.008","14.815","0.008","90","","90","","90","","1954.1","1.9","296","2","296.15","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C24 H48 K2 O20 Re2 -","- C24 H48 K2 O20 Re2 -","- C48 H96 K4 O40 Re4 -","2","0.25","","Yuan, Guo-Jun; Pan, Xue-Wei; Gao, Yan; Jiang, You-Fang; Li, Li; Ren, Xiao-Ming","Comprehensively understanding the distinct properties of crystal structure, phase transition and dielectrics in [M(crown)n]ReO4 (M+ = Na+, K+, NH4+; crown = 15-crown-5, 18-crown-6; n = 1 or 2)","CrystEngComm","2024","26","27","3704","3713","10.1039/D4CE00435C","","","0.71073","MoKα","","0.0536","0.0501","","","0.13","0.1314","","","","","","1.298","","","","has coordinates,has disorder","293794","2024-08-05","18:26:55",""
"7248690","8.7695","0.0003","8.9474","0.0003","17.6798","0.0005","83.446","0.001","88.652","0.001","87.634","0.001","1376.74","0.08","108","2","108.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H48 N O14 Re -","- C20 H48 N O14 Re -","- C40 H96 N2 O28 Re2 -","2","1","","Yuan, Guo-Jun; Pan, Xue-Wei; Gao, Yan; Jiang, You-Fang; Li, Li; Ren, Xiao-Ming","Comprehensively understanding the distinct properties of crystal structure, phase transition and dielectrics in [M(crown)n]ReO4 (M+ = Na+, K+, NH4+; crown = 15-crown-5, 18-crown-6; n = 1 or 2)","CrystEngComm","2024","26","27","3704","3713","10.1039/D4CE00435C","","","0.71073","MoKα","","0.064","0.0485","","","0.1016","0.1084","","","","","","1.027","","","","has coordinates,has disorder","293794","2024-08-05","18:26:55",""
"7248691","12.7794","0.0018","8.1003","0.0012","19.956","0.003","90","","90","","90","","2065.8","0.5","140","","140","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C20 H24 Br2 N2 O -","- C20 H23.5 Br2 N2 O -","- C80 H94 Br8 N8 O4 -","4","0.5","","Dudko, Ekaterina M.; Buikin, Petr A.; Ilyukhin, Andey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.; Simonenko, Nikolai P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(iii) halides","CrystEngComm","2024","26","26","3490","3500","10.1039/D4CE00279B","","","0.71073","MoKα","","0.061","0.0357","","","0.0806","0.0846","","","","","","1.04","","","","has coordinates,has disorder","292952","2024-07-05","15:22:48",""
"7248692","6.8222","0.0005","11.0457","0.0008","12.1817","0.0009","90","","94.692","0.002","90","","914.89","0.12","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 I2 N2 -","- C18 H18 I2 N2 -","- C36 H36 I4 N4 -","2","0.5","","Dudko, Ekaterina M.; Buikin, Petr A.; Ilyukhin, Andey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.; Simonenko, Nikolai P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(iii) halides","CrystEngComm","2024","26","26","3490","3500","10.1039/D4CE00279B","","","0.71073","MoKα","","0.0299","0.0274","","","0.0689","0.0699","","","","","","1.115","","","","has coordinates","292952","2024-07-05","15:22:49",""
"7248693","16.9076","0.0007","15.1942","0.0007","13.5491","0.0006","90","","125.455","0.001","90","","2835.3","0.2","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C42 H54 Bi I7 N4 O3 S3 -","- C42 H54 Bi I7 N4 O3 S3 -","- C84 H108 Bi2 I14 N8 O6 S6 -","2","0.25","","Dudko, Ekaterina M.; Buikin, Petr A.; Ilyukhin, Andey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.; Simonenko, Nikolai P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(iii) halides","CrystEngComm","2024","26","26","3490","3500","10.1039/D4CE00279B","","","0.71073","MoKα","","0.0261","0.0215","","","0.0466","0.0484","","","","","","0.971","","","","has coordinates,has disorder","292952","2024-07-05","15:22:49",""
"7248694","16.5194","0.0009","14.5925","0.0009","13.2748","0.0007","90","","125.29","0.001","90","","2612","0.3","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C42 H54 Bi Br7 N4 O3 S3 -","- C42 H54 Bi Br7 N4 O3 S3 -","- C84 H108 Bi2 Br14 N8 O6 S6 -","2","0.25","","Dudko, Ekaterina M.; Buikin, Petr A.; Ilyukhin, Andey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.; Simonenko, Nikolai P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(iii) halides","CrystEngComm","2024","26","26","3490","3500","10.1039/D4CE00279B","","","0.71073","MoKα","","0.0315","0.0259","","","0.0579","0.0601","","","","","","0.993","","","","has coordinates,has disorder","292952","2024-07-05","15:22:49",""
"7248695","10.4022","0.0005","12.5641","0.0007","19.9063","0.001","94.466","0.002","103.253","0.001","112.57","0.001","2298.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H34 Bi2 I9 N4 O -","- C30 H34 Bi2 I9 N4 O -","- C60 H68 Bi4 I18 N8 O2 -","2","1","","Dudko, Ekaterina M.; Buikin, Petr A.; Ilyukhin, Andey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.; Simonenko, Nikolai P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(iii) halides","CrystEngComm","2024","26","26","3490","3500","10.1039/D4CE00279B","","","0.71073","MoKα","","0.0293","0.0258","","","0.0576","0.0588","","","","","","1.089","","","","has coordinates","292952","2024-07-05","15:22:49",""
"7248696","11.442","0.003","13.461","0.003","12.46","0.003","90","","107.555","0.007","90","","1829.7","0.8","140","","140","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H15 Bi Br4 N O S -","- C11 H15 Bi Br4 N O S -","- C44 H60 Bi4 Br16 N4 O4 S4 -","4","1","","Dudko, Ekaterina M.; Buikin, Petr A.; Ilyukhin, Andey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.; Simonenko, Nikolai P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(iii) halides","CrystEngComm","2024","26","26","3490","3500","10.1039/D4CE00279B","","","0.71073","MoKα","","0.0394","0.0323","","","0.0752","0.0785","","","","","","1.034","","","","has coordinates,has disorder","292952","2024-07-05","15:22:49",""
"7248697","11.7459","0.0014","14.2042","0.0019","12.5884","0.0015","90","","106.018","0.004","90","","2018.7","0.4","140","","140","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H15 Bi I4 N O S -","- C11 H15 Bi I4 N O S -","- C44 H60 Bi4 I16 N4 O4 S4 -","4","1","","Dudko, Ekaterina M.; Buikin, Petr A.; Ilyukhin, Andey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.; Simonenko, Nikolai P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(iii) halides","CrystEngComm","2024","26","26","3490","3500","10.1039/D4CE00279B","","","0.71073","MoKα","","0.0401","0.0303","","","0.068","0.0714","","","","","","1.026","","","","has coordinates","292952","2024-07-05","15:22:49",""
"7248698","9.4546","0.001","13.286","0.0012","13.9063","0.0011","81.087","0.003","76.125","0.004","69.233","0.004","1581","0.3","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H28 Bi Br4.11 Cl1.89 N3 -","- C27 H28 Bi Br4.111 Cl1.889 N3 -","- C54 H56 Bi2 Br8.222 Cl3.778 N6 -","2","1","","Dudko, Ekaterina M.; Buikin, Petr A.; Ilyukhin, Andey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.; Simonenko, Nikolai P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(iii) halides","CrystEngComm","2024","26","26","3490","3500","10.1039/D4CE00279B","","","0.71073","MoKα","","0.0698","0.0384","","","0.0546","0.0633","","","","","","1.04","","","","has coordinates,has disorder","292952","2024-07-05","15:22:49",""
"7248699","11.0547","0.0005","13.7612","0.0006","13.8907","0.0006","74.65","0.001","87.794","0.001","72.935","0.001","1946.28","0.15","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H34 Bi I6 N4 O -","- C30 H34 Bi I6 N4 O -","- C60 H68 Bi2 I12 N8 O2 -","2","1","","Dudko, Ekaterina M.; Buikin, Petr A.; Ilyukhin, Andey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.; Simonenko, Nikolai P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(iii) halides","CrystEngComm","2024","26","26","3490","3500","10.1039/D4CE00279B","","","0.71073","MoKα","","0.0229","0.0203","","","0.041","0.0417","","","","","","1.066","","","","has coordinates,has disorder","292952","2024-07-05","15:22:49",""
"7248700","12.79","0.003","14.769","0.004","19.156","0.005","67.593","0.005","73.276","0.005","80.529","0.007","3197.6","1.4","140","","140","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H54 Bi2 Br8.49 Cl3.51 N6 -","- C54 H54 Bi2 Br8.489 Cl3.511 N6 -","- C108 H108 Bi4 Br16.978 Cl7.022 N12 -","2","1","","Dudko, Ekaterina M.; Buikin, Petr A.; Ilyukhin, Andey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.; Simonenko, Nikolai P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(iii) halides","CrystEngComm","2024","26","26","3490","3500","10.1039/D4CE00279B","","","0.71073","MoKα","","0.0721","0.0487","","","0.1086","0.1182","","","","","","1.027","","","","has coordinates,has disorder","292952","2024-07-05","15:22:49",""
"7248701","22.399","0.002","21.812","0.002","32.531","0.003","90","","90","","90","","15894","3","100.15","","100.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C120 H136 Bi4 I24 N16 O4 -","- C120 H136 Bi4 I24 N16 O4 -","- C480 H544 Bi16 I96 N64 O16 -","4","1","","Dudko, Ekaterina M.; Buikin, Petr A.; Ilyukhin, Andey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.; Simonenko, Nikolai P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(iii) halides","CrystEngComm","2024","26","26","3490","3500","10.1039/D4CE00279B","","","0.71073","MoKα","","0.0934","0.0751","","","0.1617","0.1753","","","","","","1.161","","","","has coordinates,has disorder","292952","2024-07-05","15:22:49",""
"7248702","17.3495","0.0014","14.7084","0.0012","13.8354","0.0011","90","","121.69","0.002","90","","3004.2","0.4","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C45 H57 Bi I7 N7 O3 -","- C36 H36 Bi I7 N4 -","- C72 H72 Bi2 I14 N8 -","2","0.25","","Dudko, Ekaterina M.; Buikin, Petr A.; Ilyukhin, Andey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.; Simonenko, Nikolai P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(iii) halides","CrystEngComm","2024","26","26","3490","3500","10.1039/D4CE00279B","","","0.71073","MoKα","","0.044","0.0417","","","0.1186","0.1213","","","","","","1.046","","","","has coordinates,has disorder","292952","2024-07-05","15:22:49",""
"7248703","27.025","0.005","30.658","0.006","18.995","0.004","90","","132.465","0.002","90","","11610","4","170","","170","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","1","","- C16 H90 Co4 N16 Na2 O58 Ta12 -","- C16 H16 Co4 N16 Na2 O57 Ta12 -","- C64 H64 Co16 N64 Na8 O228 Ta48 -","4","0.5","","Cao, Yun-Fei; Lin, Yu-Jin; Li, Xin-Xiong; Sun, Yan-Qiong; Zheng, Shou-Tian","Two resistance-switchable hybrid polyoxotantalates based on {Co2Ta12} clusters","CrystEngComm","2024","26","26","3527","3534","10.1039/D4CE00319E","","","0.71073","MoKα","","0.0458","0.0364","","","0.0972","0.104","","","","","","1.064","","","","has coordinates,has disorder","292947","2024-07-05","15:20:58",""
"7248704","10.3393","0.0009","12.4346","0.0011","15.4023","0.0013","75.628","0.001","81.024","0.002","82.131","0.001","1884.7","0.3","170","","170","","","","","","","","","8","P -1","-P 1","2","","1","","- C4 H90 Co2 K2 N4 Na6 O74 Ta12 -","- C4 Co2 K2 N4 Na6 O74 Ta12 -","- C4 Co2 K2 N4 Na6 O74 Ta12 -","1","0.5","","Cao, Yun-Fei; Lin, Yu-Jin; Li, Xin-Xiong; Sun, Yan-Qiong; Zheng, Shou-Tian","Two resistance-switchable hybrid polyoxotantalates based on {Co2Ta12} clusters","CrystEngComm","2024","26","26","3527","3534","10.1039/D4CE00319E","","","0.71073","MoKα","","0.0606","0.0434","","","0.1132","0.1243","","","","","","1.037","","","","has coordinates","292947","2024-07-05","15:20:58",""
"7248705","29.7023","0.0015","29.7023","0.0015","5.3577","0.0003","90","","90","","120","","4093.4","0.4","113.15","","113.15","","","","","","","","","4","R -3 :H","-R 3","148","","Methyl-2-amino-5-methoxybenzoate","","- C9 H11 N O3 -","- C9 H11 N O3 -","- C162 H198 N18 O54 -","18","1","","Li, Zhonghua; Jia, Shengzhe; Wu, Songgu; Gong, Junbo","Influence of the substituent in the benzene ring on the structure and properties of two isostructural crystals","CrystEngComm","2024","26","23","3021","3025","10.1039/D4CE00163J","","x-ray","0.71073","MoKα","","0.0637","0.0438","","","0.097","0.1071","","","","","","1.03","","","","has coordinates","292984","2024-07-05","15:36:21",""
"7248706","27.6948","0.0015","27.6948","0.0015","5.9072","0.0004","90","","90","","120","","3923.8","0.4","113.15","","113.15","","","","","","","","","4","R -3 :H","-R 3","148","","Methyl 2-amino-5-methylbenzoate","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C162 H198 N18 O36 -","18","1","","Li, Zhonghua; Jia, Shengzhe; Wu, Songgu; Gong, Junbo","Influence of the substituent in the benzene ring on the structure and properties of two isostructural crystals","CrystEngComm","2024","26","23","3021","3025","10.1039/D4CE00163J","","x-ray","0.71073","MoKα","","0.0778","0.0522","","","0.114","0.1302","","","","","","1.044","","","","has coordinates","292984","2024-07-05","15:36:21",""
"7248707","16.719","0.006","7.935","0.003","11.68","0.004","90","","101.248","0.006","90","","1519.8","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 F3 O3 S -","- C15 H13 F3 O3 S -","- C60 H52 F12 O12 S4 -","4","1","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.1001","0.0815","","","0.1986","0.2126","","","","","","1.068","","","","has coordinates,has disorder","292953","2024-07-05","15:23:13",""
"7248708","7.5635","0.0005","24.1053","0.0016","8.0213","0.0005","90","","104.686","0.001","90","","1414.67","0.16","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H13 Br O3 S -","- C14 H13 Br O3 S -","- C56 H52 Br4 O12 S4 -","4","2","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0931","0.0497","","","0.1328","0.1596","","","","","","0.94","","","","has coordinates","292953","2024-07-05","15:23:13",""
"7248709","15.5325","0.0008","7.7124","0.0003","11.7108","0.0005","90","","100.106","0.004","90","","1381.1","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Cl O3 S -","- C14 H13 Cl O3 S -","- C56 H52 Cl4 O12 S4 -","4","1","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0354","0.032","","","0.0852","0.0882","","","","","","1.025","","","","has coordinates","292953","2024-07-05","15:23:13",""
"7248710","10.1905","0.0006","26.3756","0.0019","11.062","0.0008","90","","94.342","0.002","90","","2964.7","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H14 F3 N O2 S -","- C15 H14 F3 N O2 S -","- C120 H112 F24 N8 O16 S8 -","8","4","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0642","0.0559","","","0.1515","0.1585","","","","","","1.048","","","","has coordinates","292953","2024-07-05","15:23:13",""
"7248711","9.1017","0.0004","5.7077","0.0002","25.1568","0.0011","90","","90","","90","","1306.89","0.09","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H15 N O2 S -","- C14 H15 N O2 S -","- C56 H60 N4 O8 S4 -","4","1","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0244","0.0241","","","0.0624","0.0626","","","","","","1.083","","","","has coordinates","292953","2024-07-05","15:23:13",""
"7248712","26.8683","0.0014","5.8303","0.0003","9.064","0.0005","90","","98.976","0.002","90","","1402.49","0.13","110","2","110","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C14 H14 Br N O2 S -","- C14 H14 Br N O2 S -","- C56 H56 Br4 N4 O8 S4 -","4","2","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0341","0.0312","","","0.0746","0.0759","","","","","","1.101","","","","has coordinates","292953","2024-07-05","15:23:13",""
"7248713","15.27","0.004","5.4721","0.0015","17.456","0.005","90","","109.587","0.008","90","","1374.2","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N O2 S -","- C15 H17 N O2 S -","- C60 H68 N4 O8 S4 -","4","1","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.1268","0.1141","","","0.3133","0.3314","","","","","","1.071","","","","has coordinates,has disorder","292953","2024-07-05","15:23:13",""
"7248714","7.5399","0.0005","7.6427","0.0005","24.2467","0.0016","90","","93.27","0.004","90","","1394.95","0.16","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O3 S -","- C14 H16 N2 O3 S -","- C56 H64 N8 O12 S4 -","4","1","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0528","0.0452","","","0.1059","0.1097","","","","","","1.117","","","","has coordinates","292953","2024-07-05","15:23:13",""
"7248715","26.5795","0.0011","5.7691","0.0002","9.0833","0.0004","90","","98.991","0.001","90","","1375.72","0.1","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C14 H14 Cl N O2 S -","- C14 H14 Cl N O2 S -","- C56 H56 Cl4 N4 O8 S4 -","4","2","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0385","0.0335","","","0.0759","0.0783","","","","","","1.029","","","","has coordinates","292953","2024-07-05","15:23:13",""
"7248716","9.1812","0.0006","5.7173","0.0004","53.186","0.004","90","","90","","90","","2791.8","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15 H14 N2 O2 S -","- C15 H14 N2 O2 S -","- C120 H112 N16 O16 S8 -","8","2","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0903","0.0886","","","0.2034","0.2042","","","","","","1.172","","","","has coordinates","292953","2024-07-05","15:23:14",""
"7248717","14.225","0.003","7.0381","0.0014","14.882","0.003","90","","116.423","0.007","90","","1334.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Cl N2 O2 S -","- C13 H13 Cl N2 O2 S -","- C52 H52 Cl4 N8 O8 S4 -","4","1","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0276","0.0265","","","0.0728","0.0737","","","","","","1.065","","","","has coordinates","292953","2024-07-05","15:23:14",""
"7248718","5.4885","0.0003","9.4202","0.0005","24.6029","0.0014","90","","95.597","0.002","90","","1265.97","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N2 O2 S -","- C13 H14 N2 O2 S -","- C52 H56 N8 O8 S4 -","4","1","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0443","0.0384","","","0.0947","0.0981","","","","","","1.065","","","","has coordinates","292953","2024-07-05","15:23:14",""
"7248719","7.6373","0.0003","11.5197","0.0004","16.1227","0.0006","89.774","0.001","80.11","0.001","85.664","0.001","1393.33","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 N O3 S -","- C15 H17 N O3 S -","- C60 H68 N4 O12 S4 -","4","2","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0311","0.0299","","","0.0826","0.0838","","","","","","1.04","","","","has coordinates","292953","2024-07-05","15:23:14",""
"7248720","7.7896","0.001","15.722","0.002","22.587","0.003","90","","90","","90","","2766.2","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H16 N2 O2 S -","- C14 H16 N2 O2 S -","- C112 H128 N16 O16 S8 -","8","1","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0707","0.0597","","","0.1328","0.1382","","","","","","1.166","","","","has coordinates","292953","2024-07-05","15:23:14",""
"7248721","5.5952","0.0002","12.3194","0.0004","20.3022","0.0007","88.811","0.001","85.772","0.001","76.874","0.001","1359.14","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 Br N2 O2 S -","- C13 H13 Br N2 O2 S -","- C52 H52 Br4 N8 O8 S4 -","4","2","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0277","0.023","","","0.058","0.0597","","","","","","1.025","","","","has coordinates","292953","2024-07-05","15:23:14",""
"7248722","25.3896","0.0008","5.0011","0.0002","22.3676","0.0008","90","","94.337","0.002","90","","2832.01","0.18","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H13 F3 N2 O2 S -","- C14 H13 F3 N2 O2 S -","- C112 H104 F24 N16 O16 S8 -","8","1","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0478","0.0453","","","0.1049","0.1066","","","","","","1.074","","","","has coordinates","292953","2024-07-05","15:23:14",""
"7248723","7.3793","0.0006","8.1389","0.0007","24.315","0.002","85.636","0.005","89.814","0.005","74.498","0.004","1402.9","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 O3 S -","- C15 H16 O3 S -","- C60 H64 O12 S4 -","4","2","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.1373","0.1224","","","0.3","0.3076","","","","","","1.103","","","","has coordinates","292953","2024-07-05","15:23:14",""
"7248724","14.7745","0.0004","6.9327","0.0002","14.9312","0.0004","90","","118.484","0.001","90","","1344.23","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O2 S -","- C14 H13 N3 O2 S -","- C56 H52 N12 O8 S4 -","4","1","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.034","0.032","","","0.0803","0.0816","","","","","","1.081","","","","has coordinates","292953","2024-07-05","15:23:14",""
"7248725","9.1249","0.0017","12.094","0.002","10.995","0.002","90","","108.971","0.011","90","","1147.5","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Methyl 4-((3-(methoxycarbonyl)-2-methyl-1,1-dioxido-4-oxo-3,4-dihydro-2H-benzo[e][1,2]thiazin-3-yl)oxy)-2-methyl-2H-benzo[e][1,2]thiazine-3-carboxylate1,1-dioxide","","- C22 H20 N2 O10 S2 -","- C22 H20 N2 O10 S2 -","- C44 H40 N4 O20 S4 -","2","1","","Fatima, Muqudis; Siddiqui, Waseeq Ahmad; Choudhary, Muhammad Iqbal; Ashraf, Adnan; Niaz, Shanawer; Raza, Muhammad Asam; Alam, Seikh Mafiz; Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Dahlous, Kholood Ahmed","Synthesis of dimeric 1,2-benzothiazine 1,1-dioxide scaffolds: molecular structures, Hirshfeld surface analysis, DFT and enzyme inhibition studies","RSC Advances","2024","14","24","16935","16944","10.1039/D4RA02009J","","","0.71073","MoKα","","0.0776","0.0546","","","0.1081","0.1212","","","","","","1.023","","","","has coordinates","292082","2024-05-29","01:59:30",""
"7248726","8.4275","0.0007","12.5962","0.0012","17.3509","0.0016","71.203","0.005","87.757","0.004","77.684","0.005","1702.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Methyl 2-(3-chlorophenethyl)-4-((2-(3-chlorophenethyl)-3-(methoxycarbonyl)- 1,1-dioxido-4-oxo-3,4-dihydro-2H-benzo[e][1,2]thiazin-3-yl)oxy)-2H-benzo [e][1,2]thiazine-3-carboxylate 1,1-dioxide","","- C34 H26 Cl2 N2 O10 S2 -","- C34 H26 Cl2 N2 O10 S2 -","- C68 H52 Cl4 N4 O20 S4 -","2","1","","Fatima, Muqudis; Siddiqui, Waseeq Ahmad; Choudhary, Muhammad Iqbal; Ashraf, Adnan; Niaz, Shanawer; Raza, Muhammad Asam; Alam, Seikh Mafiz; Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Dahlous, Kholood Ahmed","Synthesis of dimeric 1,2-benzothiazine 1,1-dioxide scaffolds: molecular structures, Hirshfeld surface analysis, DFT and enzyme inhibition studies","RSC Advances","2024","14","24","16935","16944","10.1039/D4RA02009J","","","0.71073","MoKα","","0.1016","0.0593","","","0.131","0.1511","","","","","","1.014","","","","has coordinates","292083","2024-05-29","01:59:47",""
"7248727","8.112","0.004","17.079","0.01","22.56","0.013","90","","96.896","0.017","90","","3103","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 4-((3-(methoxycarbonyl)-1,1-dioxido-4-oxo-2-phenethyl-3,4-dihydro- 2H-benzo[e][1,2]thiazin-3-yl)oxy)-2-phenethyl-2H-benzo[e][1,2]thiazine-3 -carboxylate 1,1-dioxide","","- C34 H28 N2 O10 S2 -","- C34 H28 N2 O10 S2 -","- C136 H112 N8 O40 S8 -","4","1","","Fatima, Muqudis; Siddiqui, Waseeq Ahmad; Choudhary, Muhammad Iqbal; Ashraf, Adnan; Niaz, Shanawer; Raza, Muhammad Asam; Alam, Seikh Mafiz; Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Dahlous, Kholood Ahmed","Synthesis of dimeric 1,2-benzothiazine 1,1-dioxide scaffolds: molecular structures, Hirshfeld surface analysis, DFT and enzyme inhibition studies","RSC Advances","2024","14","24","16935","16944","10.1039/D4RA02009J","","","0.71073","MoKα","","0.192","0.0998","","","0.2014","0.2495","","","","","","1.01","","","","has coordinates","292084","2024-05-29","02:00:04",""
"7248728","8.0501","0.0009","11.7489","0.0015","14.8904","0.0019","107.833","0.004","102.961","0.003","97.54","0.004","1275.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Methyl 2-ethyl-4-((2-ethyl-3-(methoxycarbonyl)-1,1-dioxido-4-oxo-3,4-dihydro- 2H-benzo[e][1,2]thiazin-3-yl)oxy)-2H-benzo[e][1,2]thiazine-3-carboxylate 1,1-dioxide","","- C24 H24 N2 O10 S2 -","- C24 H24 N2 O10 S2 -","- C48 H48 N4 O20 S4 -","2","1","","Fatima, Muqudis; Siddiqui, Waseeq Ahmad; Choudhary, Muhammad Iqbal; Ashraf, Adnan; Niaz, Shanawer; Raza, Muhammad Asam; Alam, Seikh Mafiz; Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Dahlous, Kholood Ahmed","Synthesis of dimeric 1,2-benzothiazine 1,1-dioxide scaffolds: molecular structures, Hirshfeld surface analysis, DFT and enzyme inhibition studies","RSC Advances","2024","14","24","16935","16944","10.1039/D4RA02009J","","","0.71073","MoKα","","0.0702","0.0476","","","0.1187","0.1316","","","","","","1.044","","","","has coordinates","292085","2024-05-29","02:00:17",""
"7248729","20.4271","0.0005","15.4067","0.0006","17.8809","0.0006","90","","90.371","0.002","90","","5627.3","0.3","170","0.1","170","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H21 N5 -","- C31 H21 N5 -","- C248 H168 N40 -","8","2","","Shi, Hai-Xiong; Bao, Hong-Wei; Wu, Gui-Yuan","Solvation controlled excited-state dynamics in a donor–acceptor phenazine-imidazole derivative","RSC Advances","2024","14","24","17071","17076","10.1039/D4RA02417F","","x-ray","1.54184","CuKα","","0.1161","0.0793","","","0.2063","0.2262","","","","","","1.04","","","","has coordinates","292086","2024-05-29","02:00:31",""
"7248730","12.2945","0.0002","12.4454","0.0002","22.2997","0.0004","90","","90","","90","","3412.08","0.1","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Gemmacolide X","","- C30 H38 Cl O14.5 -","- C30 H38 Cl O14.5 -","- C120 H152 Cl4 O58 -","4","1","","Do, Hai Nhat; Chen, Yu-Ta; Chien, Su-Ying; Chen, You-Ying; Zhang, Mingzi M.; Tsou, Lun Kelvin; Chen, Jih-Jung; Wen, Zhi-Hong; Lo, Yi-Hao; Zheng, Li-Guo; Sung, Ping-Jyun","Chlorine-containing polyacetoxybriarane diterpenoids from the octocoral Junceella fragilis","RSC Advances","2024","14","24","17195","17201","10.1039/D4RA03062A","","","1.54178","CuKα","","0.031","0.0292","","","0.0758","0.0772","","","","","","1.044","","","","has coordinates","292087","2024-05-29","02:00:56",""
"7248731","22.8317","0.0003","22.8317","0.0003","10.2937","0.0002","90","","90","","120","","4647.06","0.12","200","2","200","2","","","","","","","","4","P 61","P 61","169","","Frajunolide I","","- C28 H35 Cl O12 -","- C28 H35 Cl O12 -","- C168 H210 Cl6 O72 -","6","1","","Do, Hai Nhat; Chen, Yu-Ta; Chien, Su-Ying; Chen, You-Ying; Zhang, Mingzi M.; Tsou, Lun Kelvin; Chen, Jih-Jung; Wen, Zhi-Hong; Lo, Yi-Hao; Zheng, Li-Guo; Sung, Ping-Jyun","Chlorine-containing polyacetoxybriarane diterpenoids from the octocoral Junceella fragilis","RSC Advances","2024","14","24","17195","17201","10.1039/D4RA03062A","","","1.54178","CuKα","","0.0393","0.0358","","","0.096","0.0989","","","","","","1.022","","","","has coordinates","292087","2024-05-29","02:00:58",""
"7248732","17.0912","0.0003","5.88627","0.0001","13.7901","0.0003","90","","109.188","0.002","90","","1310.26","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N O4 S -","- C15 H11 N O4 S -","- C60 H44 N4 O16 S4 -","4","1","","Lei, Xiaoqiang; Sun, Yanyan; Guo, Qinglan; Shi, Jiangong","Base mediated aza-[2 + 1] annulation and regioselective aziridine ring-opening cascade: mild synthesis of functionalized β-amino ketones from cyclic N-sulfonyl aldimines and α-carbonyl sulfonium salts","RSC Advances","2024","14","24","17178","17183","10.1039/D4RA02817A","","x-ray","1.54184","CuKα","","0.0416","0.0396","","","0.1085","0.1101","","","","","","1.069","","","","has coordinates","292088","2024-05-29","02:01:16",""
"7248733","11.5061","0.0002","13.0272","0.0002","14.0938","0.0002","72.4941","0.0007","84.3059","0.0008","81.3692","0.0007","1988.62","0.05","173","","173","","","","","","","","","5","P 1","P 1","1","(S)-Flavin-Trp(OMe)","(S)-2-Amino-N-(4-(7',8'-dimethylisoalloxazin-10'-yl)phenylcarbonyl)-3-(1H-indol-3-yl)propanoic acid methyl ester","","- C37 H45 N6 O8.5 S3 -","- C37 H45 N6 O8.5 S3 -","- C74 H90 N12 O17 S6 -","2","2","","Oka, Yoshimi; Inoue, Katsuya","Time-resolved EPR observation of blue-light-induced radical ion pairs in a flavin-Trp dyad.","Physical chemistry chemical physics : PCCP","2024","26","23","16444","16448","10.1039/d3cp06219h","","","1.54178","CuKα","","0.0676","0.0614","","","0.1713","0.1781","","","","","","1.042","","","","has coordinates,has disorder","293291","2024-07-05","18:08:18",""
"7248734","7.6908","0.0013","5.7271","0.0004","27.006","0.002","90","","90.719","0.009","90","","1189.4","0.2","296.1","","296.1","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N6 O3 -","- C12 H10 N6 O3 -","- C48 H40 N24 O12 -","4","1","","Christopher, Imogen L.; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A. L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole A.","Tuning energetic properties through co-crystallisation - a high-pressure experimental and computational study of nitrotriazolone: 4,4'-bipyridine.","Physical chemistry chemical physics : PCCP","2024","26","23","16859","16870","10.1039/d4cp01595a","","","0.71073","MoKα","","0.0616","0.047","","","0.1123","0.1229","","","","","","1.122","","","","has coordinates","293292","2024-07-05","18:09:10",""
"7248735","7.2224","0.0011","5.6283","0.0004","26.087","0.002","90","","94.048","0.007","90","","1057.8","0.2","292.9","","292.9","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N12 O6 -","- C24 H20 N12 O6 -","- C48 H40 N24 O12 -","2","0.5","","Christopher, Imogen L.; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A. L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole A.","Tuning energetic properties through co-crystallisation - a high-pressure experimental and computational study of nitrotriazolone: 4,4'-bipyridine.","Physical chemistry chemical physics : PCCP","2024","26","23","16859","16870","10.1039/d4cp01595a","","","0.71073","MoKα","","0.0758","0.0579","","","0.1495","0.1632","","","","","","1.267","","","","has coordinates","293292","2024-07-05","18:09:10",""
"7248736","7.1952","0.0004","5.6211","0.0003","26.01","0.003","90","","94.452","0.006","90","","1048.8","0.15","300.8","","300.8","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N6 O3 -","- C12 H10 N6 O3 -","- C48 H40 N24 O12 -","4","1","","Christopher, Imogen L.; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A. L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole A.","Tuning energetic properties through co-crystallisation - a high-pressure experimental and computational study of nitrotriazolone: 4,4'-bipyridine.","Physical chemistry chemical physics : PCCP","2024","26","23","16859","16870","10.1039/d4cp01595a","","","0.71073","MoKα","","0.0347","0.025","","","0.062","0.067","","","","","","1.097","","","","has coordinates","293292","2024-07-05","18:09:10",""
"7248737","7.2334","0.0006","5.6302","0.0004","26.082","0.005","90","","94.001","0.008","90","","1059.6","0.2","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N6 O3 -","- C12 H10 N6 O3 -","- C48 H40 N24 O12 -","4","1","","Christopher, Imogen L.; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A. L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole A.","Tuning energetic properties through co-crystallisation - a high-pressure experimental and computational study of nitrotriazolone: 4,4'-bipyridine.","Physical chemistry chemical physics : PCCP","2024","26","23","16859","16870","10.1039/d4cp01595a","","","0.71073","MoKα","","0.0456","0.0295","","","0.0704","0.0779","","","","","","1.085","","","","has coordinates","293292","2024-07-05","18:09:10",""
"7248738","7.1472","0.0012","5.611","0.0004","25.939","0.002","90","","94.766","0.008","90","","1036.6","0.2","298.4","","298.4","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N6 O3 -","- C12 H10 N6 O3 -","- C48 H40 N24 O12 -","4","1","","Christopher, Imogen L.; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A. L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole A.","Tuning energetic properties through co-crystallisation - a high-pressure experimental and computational study of nitrotriazolone: 4,4'-bipyridine.","Physical chemistry chemical physics : PCCP","2024","26","23","16859","16870","10.1039/d4cp01595a","","","0.71073","MoKα","","0.0497","0.0422","","","0.1073","0.1151","","","","","","1.133","","","","has coordinates","293292","2024-07-05","18:09:10",""
"7248739","7.6129","0.0013","5.7121","0.001","26.809","0.01","90","","90.448","0.018","90","","1165.8","0.5","275.6","","275.6","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N6 O3 -","- C12 H10 N6 O3 -","- C48 H40 N24 O12 -","4","1","","Christopher, Imogen L.; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A. L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole A.","Tuning energetic properties through co-crystallisation - a high-pressure experimental and computational study of nitrotriazolone: 4,4'-bipyridine.","Physical chemistry chemical physics : PCCP","2024","26","23","16859","16870","10.1039/d4cp01595a","","","0.71073","MoKα","","0.0385","0.0258","","","0.0603","0.0691","","","","","","1.1857","","","","has coordinates","293292","2024-07-05","18:09:10",""
"7248740","7.0225","0.001","5.5811","0.0004","25.7121","0.0018","90","","95.797","0.007","90","","1002.59","0.18","298.4","","298.4","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N6 O3 -","- C12 H10 N6 O3 -","- C48 H40 N24 O12 -","4","1","","Christopher, Imogen L.; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A. L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole A.","Tuning energetic properties through co-crystallisation - a high-pressure experimental and computational study of nitrotriazolone: 4,4'-bipyridine.","Physical chemistry chemical physics : PCCP","2024","26","23","16859","16870","10.1039/d4cp01595a","","","0.71073","MoKα","","0.0626","0.0524","","","0.1281","0.1361","","","","","","1.081","","","","has coordinates","293292","2024-07-05","18:09:10",""
"7248741","7.6153","0.0011","5.7099","0.0004","26.8265","0.0019","90","","90.275","0.007","90","","1166.5","0.2","296.1","","296.1","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N12 O6 -","- C24 H20 N12 O6 -","- C48 H40 N24 O12 -","2","0.5","","Christopher, Imogen L.; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A. L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole A.","Tuning energetic properties through co-crystallisation - a high-pressure experimental and computational study of nitrotriazolone: 4,4'-bipyridine.","Physical chemistry chemical physics : PCCP","2024","26","23","16859","16870","10.1039/d4cp01595a","","","0.71073","MoKα","","0.0671","0.0527","","","0.1371","0.1509","","","","","","1.118","","","","has coordinates","293292","2024-07-05","18:09:10",""
"7248742","7.9306","0.0012","5.7908","0.0007","27.809","0.004","90","","95.349","0.01","90","","1271.6","0.3","289.5","","289.5","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N6 O3 -","- C12 H10 N6 O3 -","- C48 H40 N24 O12 -","4","1","","Christopher, Imogen L.; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A. L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole A.","Tuning energetic properties through co-crystallisation - a high-pressure experimental and computational study of nitrotriazolone: 4,4'-bipyridine.","Physical chemistry chemical physics : PCCP","2024","26","23","16859","16870","10.1039/d4cp01595a","","","0.71073","MoKα","","0.0785","0.0411","","","0.1028","0.1229","","","","","","1.09","","","","has coordinates","293292","2024-07-05","18:09:10",""
"7248743","7.3848","0.0011","5.6634","0.0004","26.3751","0.0019","90","","92.598","0.007","90","","1102","0.2","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N6 O3 -","- C12 H10 N6 O3 -","- C48 H40 N24 O12 -","4","1","","Christopher, Imogen L.; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A. L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole A.","Tuning energetic properties through co-crystallisation - a high-pressure experimental and computational study of nitrotriazolone: 4,4'-bipyridine.","Physical chemistry chemical physics : PCCP","2024","26","23","16859","16870","10.1039/d4cp01595a","","","0.71073","MoKα","","0.0508","0.0417","","","0.1029","0.1096","","","","","","1.109","","","","has coordinates","293292","2024-07-05","18:09:10",""
"7248744","7.2747","0.0016","5.6382","0.0006","26.176","0.003","90","","93.556","0.012","90","","1071.6","0.3","292.9","","292.9","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N12 O6 -","- C24 H20 N12 O6 -","- C48 H40 N24 O12 -","2","0.5","","Christopher, Imogen L.; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A. L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole A.","Tuning energetic properties through co-crystallisation - a high-pressure experimental and computational study of nitrotriazolone: 4,4'-bipyridine.","Physical chemistry chemical physics : PCCP","2024","26","23","16859","16870","10.1039/d4cp01595a","","","0.71073","MoKα","","0.081","0.0655","","","0.159","0.1728","","","","","","1.086","","","","has coordinates","293292","2024-07-05","18:09:10",""
"7248745","7.4571","0.0013","5.6784","0.0005","26.508","0.002","90","","91.931","0.009","90","","1121.8","0.2","296.1","","296.1","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N6 O3 -","- C12 H10 N6 O3 -","- C48 H40 N24 O12 -","4","1","","Christopher, Imogen L.; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A. L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole A.","Tuning energetic properties through co-crystallisation - a high-pressure experimental and computational study of nitrotriazolone: 4,4'-bipyridine.","Physical chemistry chemical physics : PCCP","2024","26","23","16859","16870","10.1039/d4cp01595a","","","0.71073","MoKα","","0.0535","0.0404","","","0.1019","0.1117","","","","","","1.13","","","","has coordinates","293292","2024-07-05","18:09:10",""
"7248746","7.944","0.0007","5.7979","0.0005","27.874","0.002","90","","95.81","0.003","90","","1277.24","0.18","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N6 O3 -","- C12 H10 N6 O3 -","- C48 H40 N24 O12 -","4","1","","Christopher, Imogen L.; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A. L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole A.","Tuning energetic properties through co-crystallisation - a high-pressure experimental and computational study of nitrotriazolone: 4,4'-bipyridine.","Physical chemistry chemical physics : PCCP","2024","26","23","16859","16870","10.1039/d4cp01595a","","","0.71073","MoKα","","0.0442","0.0418","","","0.1217","0.1242","","","","","","1.137","","","","has coordinates","293292","2024-07-05","18:09:10",""
"7248747","13.2488","0.0001","13.1966","0.0001","16.3122","0.0001","90","","93.179","0.001","90","","2847.62","0.04","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H24 Cl2 N2 O2 -","- C37 H24 Cl2 N2 O2 -","- C148 H96 Cl8 N8 O8 -","4","1","","Chen‡, Meiling; Chen‡, Yuzhuo; Su, Zhongzhen; Li, Yuchun; Fei, Hanxiao; Zhang, Hua; Wu, Yunan","Achievement of efficient thermally activated delayed fluorescence materials based on 1,8-naphthalimide derivatives exhibiting piezochromic and thermochromic luminescence","RSC Advances","2024","14","25","17434","17439","10.1039/D4RA02981J","","x-ray","1.54184","CuKα","","0.0785","0.0757","","","0.2295","0.2324","","","","","","1.056","","","","has coordinates,has disorder","292112","2024-05-30","01:04:57",""
"7248748","14.0454","0.0006","7.0154","0.0003","20.9702","0.001","90","","105.948","0.002","90","","1986.75","0.15","103","","103","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H20 F20 Ni2 O10 -","- C38 H20 F20 Ni2 O10 -","- C76 H40 F40 Ni4 O20 -","2","0.5","","Habuka, Yusuke; Usui, Hirotomo; Okawa, Mizuki; Shinohara, Takanori; Yuge, Hidetaka; Mao, Yuchen; Gong, Jin; Richards, Gary J.; Hori, Akiko","Selective recognition and reversible encapsulation of tetrameric alcohol clusters via hydrogen bonds using a perfluorinated dinuclear nickel(ii) complex","CrystEngComm","2024","26","23","3014","3020","10.1039/D4CE00166D","","","0.71073","MoKα","","0.0318","0.0278","","","0.0589","0.0608","","","","","","1.084","","","","has coordinates","292978","2024-07-05","15:34:59",""
"7248749","5.0933","0.0007","13.6611","0.0018","13.976","0.002","98.835","0.004","99.813","0.004","90.305","0.004","946.4","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H12 Cu2 F20 O8 -","- C36 H12 Cu2 F20 O8 -","- C36 H12 Cu2 F20 O8 -","1","0.5","","Habuka, Yusuke; Usui, Hirotomo; Okawa, Mizuki; Shinohara, Takanori; Yuge, Hidetaka; Mao, Yuchen; Gong, Jin; Richards, Gary J.; Hori, Akiko","Selective recognition and reversible encapsulation of tetrameric alcohol clusters via hydrogen bonds using a perfluorinated dinuclear nickel(ii) complex","CrystEngComm","2024","26","23","3014","3020","10.1039/D4CE00166D","","","0.71073","MoKα","","0.0979","0.0635","","","0.1327","0.1475","","","","","","1.117","","","","has coordinates","292978","2024-07-05","15:35:00",""
"7248750","10.605","0.002","13.738","0.003","13.967","0.003","98.221","0.002","94.599","0.002","99.35","0.002","1976","0.7","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H16 Cu2 F20 O8 -","- C38 H16 Cu2 F20 O8 -","- C76 H32 Cu4 F40 O16 -","2","1","","Habuka, Yusuke; Usui, Hirotomo; Okawa, Mizuki; Shinohara, Takanori; Yuge, Hidetaka; Mao, Yuchen; Gong, Jin; Richards, Gary J.; Hori, Akiko","Selective recognition and reversible encapsulation of tetrameric alcohol clusters via hydrogen bonds using a perfluorinated dinuclear nickel(ii) complex","CrystEngComm","2024","26","23","3014","3020","10.1039/D4CE00166D","","","0.71073","MoKα","","0.0442","0.0353","","","0.0908","0.0967","","","","","","1.052","","","","has coordinates","292978","2024-07-05","15:35:00",""
"7248751","12.4777","0.0005","13.9837","0.0004","14.3744","0.0005","90","","102.552","0.001","90","","2448.16","0.15","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 F20 Ni2 O14 -","- C42 H36 F20 Ni2 O14 -","- C84 H72 F40 Ni4 O28 -","2","0.5","","Habuka, Yusuke; Usui, Hirotomo; Okawa, Mizuki; Shinohara, Takanori; Yuge, Hidetaka; Mao, Yuchen; Gong, Jin; Richards, Gary J.; Hori, Akiko","Selective recognition and reversible encapsulation of tetrameric alcohol clusters via hydrogen bonds using a perfluorinated dinuclear nickel(ii) complex","CrystEngComm","2024","26","23","3014","3020","10.1039/D4CE00166D","","","0.71073","MoKα","","0.0548","0.0359","","","0.0708","0.0772","","","","","","1.034","","","","has coordinates","292978","2024-07-05","15:35:00",""
"7248752","6.6055","0.0007","7.4668","0.001","12.196","0.0016","103.927","0.005","90.111","0.004","95.743","0.004","580.71","0.13","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H16 Cd Cl3 N -","- C7 H16 Cd Cl3 N -","- C14 H32 Cd2 Cl6 N2 -","2","1","","Hua, Xiu-Ni; Cai, Zhuoer; Huang, Tian-Tian; Cui, Jing-Han; Shi, Xian; Zhang, Xiang; Zhang, Yinan; Chen, Jian; Xu, Kai; Duan, Hai-Bao","Successive high-temperature phase transitions triggered dielectric switching in a one-dimensional hybrid perovskite with blue emission","CrystEngComm","2024","26","25","3325","3330","10.1039/D4CE00415A","","","0.71073","MoKα","","0.0379","0.0347","","","0.089","0.0934","","","","","","1.043","","","","has coordinates","292963","2024-07-05","15:28:59",""
"7248753","12.2318","0.0012","6.6515","0.0006","15.0423","0.0012","90","","103.61","0.003","90","","1189.47","0.19","400","","400","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H16 Cd Cl3 N -","- C7 H16 Cd Cl3 N -","- C28 H64 Cd4 Cl12 N4 -","4","1","","Hua, Xiu-Ni; Cai, Zhuoer; Huang, Tian-Tian; Cui, Jing-Han; Shi, Xian; Zhang, Xiang; Zhang, Yinan; Chen, Jian; Xu, Kai; Duan, Hai-Bao","Successive high-temperature phase transitions triggered dielectric switching in a one-dimensional hybrid perovskite with blue emission","CrystEngComm","2024","26","25","3325","3330","10.1039/D4CE00415A","","","0.71073","MoKα","","0.0503","0.0356","","","0.0811","0.0905","","","","","","1.049","","","","has coordinates","292963","2024-07-05","15:29:00",""
"7248754","12.229","0.002","6.6525","0.0011","15.025","0.002","90","","103.592","0.006","90","","1188.1","0.3","388","","388","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H16 Cd Cl3 N -","- C7 H16 Cd Cl3 N -","- C28 H64 Cd4 Cl12 N4 -","4","1","","Hua, Xiu-Ni; Cai, Zhuoer; Huang, Tian-Tian; Cui, Jing-Han; Shi, Xian; Zhang, Xiang; Zhang, Yinan; Chen, Jian; Xu, Kai; Duan, Hai-Bao","Successive high-temperature phase transitions triggered dielectric switching in a one-dimensional hybrid perovskite with blue emission","CrystEngComm","2024","26","25","3325","3330","10.1039/D4CE00415A","","","0.71073","MoKα","","0.0401","0.0309","","","0.0739","0.0806","","","","","","1.042","","","","has coordinates","292963","2024-07-05","15:29:00",""
"7248755","7.5694","0.0014","24.091","0.004","6.6715","0.0012","90","","90","","90","","1216.6","0.4","448","","448","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C7 H16 Cd Cl3 N -","- C7 H16 Cd Cl3 N -","- C28 H64 Cd4 Cl12 N4 -","4","0.25","","Hua, Xiu-Ni; Cai, Zhuoer; Huang, Tian-Tian; Cui, Jing-Han; Shi, Xian; Zhang, Xiang; Zhang, Yinan; Chen, Jian; Xu, Kai; Duan, Hai-Bao","Successive high-temperature phase transitions triggered dielectric switching in a one-dimensional hybrid perovskite with blue emission","CrystEngComm","2024","26","25","3325","3330","10.1039/D4CE00415A","","","0.71073","MoKα","","0.037","0.0326","","","0.0853","0.0898","","","","","","1.088","","","","has coordinates,has disorder","292963","2024-07-05","15:29:00",""
"7248756","7.6781","0.0004","27.998","0.0013","9.1512","0.0003","90","","93.736","0.004","90","","1963.07","0.15","","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","GAB","(E)-amino((4-(4-(dimethylamino)styryl)phenyl)amino)methaniminium ethyl carbonate","","- C18 H24 N6 O3 -","- C18 H24 N6 O3 -","- C72 H96 N24 O12 -","4","1","","Murakami, Ryo; Shiota, Keitaro; Uchida, Ayaka; Inagaki, Fuyuhiko","Light-swing CO2 capture: photoirradiation-based chemical CO2 release based on photoisomerization of azobenzene-amine/guanidine derivatives","Green Chemistry","2024","26","12","7406","7413","10.1039/D4GC00736K","","x-ray","0.71073","MoKα","","0.1458","0.0747","","","0.1742","0.2096","","","","","","1.034","","","","has coordinates","293173","2024-07-05","17:25:39",""
"7248757","9.93653882","","9.93653882","","15.99433626","","90","","90","","120","","1367.62","","","","","","","","","","","","","1","P -3 m 1","-P 3 2""","164","","","","- Si -","- Si -","- Si58 -","58","4.83333","","Niu, Lujie; Zhang, Rui; Zhang, Qiang; Wang, Dong; Bi, Yanlei; Wen, Guangwu; Qin, Lu-Chang","Carbon-coated silicon/graphite oxide composites as anode materials for highly stable lithium-ion batteries.","Physical chemistry chemical physics : PCCP","2024","26","24","17292","17302","10.1039/d4cp01424c","","","","","","","","","","","","","","","","","","","","","has coordinates","293287","2024-07-05","18:07:06",""
"7248758","7.7207","0.0008","7.7941","0.0008","9.5977","0.0009","81.799","0.008","83.134","0.008","66.739","0.01","523.91","0.1","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C12 H24 Cl6 N4 O2 Pd -","- C12 H24 Cl6 N4 O2 Pd -","- C12 H24 Cl6 N4 O2 Pd -","1","0.5","","Bougossa, Sarra; Mhadhbi, Noureddine; Ben Ahmed, Ali; Hamdi, Mohamed; Elghniji, Kais; Erwann, Jeanneau; Hamden, Khaled; Oueslati, Abderrazek; Naïli, Houcine","Design of a new palladium(ii) halide complex as a bio-active material: synthesis, physico-chemical studies, DFT-computations and evaluation of anti-inflammatory, antioxidant and anti-gastric damage activities","RSC Advances","2024","14","25","17413","17433","10.1039/D4RA02984D","","x-ray","0.71073","MoKα","","0.078","0.0558","","","0.1286","0.1587","","","","","","1.191","","","","has coordinates","292125","2024-05-31","01:18:48",""
"7248759","16.8509","0.0003","16.8509","0.0003","16.8509","0.0003","90","","90","","90","","4784.86","0.15","296","2","100","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C24 H30 N12 O4 Zn3 -","- C24 H30 N12 O4 Zn3 -","- C96 H120 N48 O16 Zn12 -","4","0.0833333","","Sun, Yihui; Zhang, Hui; Lv, Yan; An, Shengli; Wang, Ruifen","ZIF-8/g-C3N4 photocatalysts: enhancing CO2 reduction through improved adsorption and photocatalytic performance","RSC Advances","2024","14","25","17498","17506","10.1039/D4RA02548B","","","1.54178","CuKα","","0.0689","0.0688","","","0.2089","0.209","","","","","","2.098","","","","has coordinates","292126","2024-05-31","01:19:05",""
"7248760","22.17","0.0004","7.54141","0.00012","34.4865","0.0004","90","","90","","90","","5765.9","0.15","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C28 H25 Cl F2 N6 O4 -","- C28 H25 Cl F2 N6 O4 -","- C224 H200 Cl8 F16 N48 O32 -","8","1","","Patel, Upendra Kumar; Tiwari, Punit; Tilak, Ragini; Joshi, Gaurav; Kumar, Roshan; Agarwal, Alka","Synthesis of ciprofloxacin-linked 1,2,3-triazole conjugates as potent antibacterial agents using click chemistry: exploring their function as DNA gyrase inhibitors via in silico- and in vitro-based studies","RSC Advances","2024","14","24","17051","17070","10.1039/D4RA01332H","","","1.54184","CuKα","","0.065","0.0539","","","0.1532","0.1619","","","","","","1.063","","","","has coordinates","292127","2024-05-31","01:19:32",""
"7248761","11.7334","0.0002","12.3293","0.0002","22.1027","0.0004","97.262","0.001","98.652","0.002","102.266","0.001","3047.14","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(1-(3-chlorophenyl)-1H-1,2,3-triazol-4-yl)methyl 7-(4-benzoylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate","","- C33 H28 Cl F N6 O4 -","- C33 H28 Cl F N6 O4 -","- C132 H112 Cl4 F4 N24 O16 -","4","2","","Patel, Upendra Kumar; Tiwari, Punit; Tilak, Ragini; Joshi, Gaurav; Kumar, Roshan; Agarwal, Alka","Synthesis of ciprofloxacin-linked 1,2,3-triazole conjugates as potent antibacterial agents using click chemistry: exploring their function as DNA gyrase inhibitors via in silico- and in vitro-based studies","RSC Advances","2024","14","24","17051","17070","10.1039/D4RA01332H","","","1.54184","CuKα","","0.0866","0.0655","","","0.1963","0.2152","","","","","","1.069","","","","has coordinates","292127","2024-05-31","01:19:34",""
"7248762","12.174","0.003","12.458","0.003","13.317","0.003","80.136","0.003","81.546","0.004","83.025","0.004","1958.6","0.8","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H Co3 N4 O14 -","- C68 H44 Co3 N4 O14 -","- C68 H44 Co3 N4 O14 -","1","0.5","","Zhang, Shu-Ran; Qin, Shao-Dan; Xu, Guang-Juan; Xie, Wei; Xu, Na; Jiang, Nan; Xu, Yan-Hong; Hu, Xiao-Li; Su, Zhong-Min","Co-based MOF as an efficient catalyst by peroxymonosulfate activation for degradation of tetracycline: synthesis and performance","CrystEngComm","2024","26","27","3744","3753","10.1039/D4CE00350K","","","0.71073","MoKα","","0.1131","0.0557","","","0.1276","0.1536","","","","","","0.908","","","","has coordinates","293793","2024-08-05","18:26:42",""
"7248763","8.2876","0.0017","11.814","0.003","8.2579","0.0018","90","","90","","90","","808.5","0.3","300","2","300","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Br2.7 Cs I0.3 Pb -","- Br2.7 Cs I0.3 Pb -","- Br10.8 Cs4 I1.2 Pb4 -","4","0.5","","Shen, Meng; Zhang, Yulin; Cheng, Bingliang; Ma, Wenjuan; Huang, Xiaole; Zhang, Lei; Chai, Zhifang; Lin, Wenwen","Spontaneous phase transition from 3D perovskite to 1D non-perovskite in CsPbBr2.7I0.3","CrystEngComm","2024","26","24","3162","3166","10.1039/D4CE00235K","","","0.71073","MoKα","","0.0787","0.0437","","","0.0893","0.1069","","","","","","1.02","","","","has coordinates,has disorder","292939","2024-07-05","15:18:11",""
"7248764","9.14","0.002","15.767","0.004","9.982","0.002","90","","101.097","0.005","90","","1411.6","0.6","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H10 F N3 S -","- C17 H10 F N3 S -","- C68 H40 F4 N12 S4 -","4","1","","Wen, Changting; Sun, Guojin; Liu, Lang; Zhang, Jun; She, Mengyao; Yang, Zheng; Liu, Ping; Zhang, Shengyong; Li, Jianli","Light-assisted green and efficient construction of thiadiazole/selenadiazole derivatives","Green Chemistry","2024","26","13","7944","7950","10.1039/D4GC02211D","","","0.71073","MoKα","","0.1314","0.052","","","0.1032","0.1336","","","","","","0.951","","","","has coordinates","293163","2024-07-05","17:23:40",""
"7248765","27.47","0.02","3.862","0.003","32.65","0.03","90","","111.657","0.007","90","","3219","5","220","","220","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17.3 H10.3 Br Cl0.9 N3 S -","- C17 H10 Br N3 S -","- C136 H80 Br8 N24 S8 -","8","1","","Wen, Changting; Sun, Guojin; Liu, Lang; Zhang, Jun; She, Mengyao; Yang, Zheng; Liu, Ping; Zhang, Shengyong; Li, Jianli","Light-assisted green and efficient construction of thiadiazole/selenadiazole derivatives","Green Chemistry","2024","26","13","7944","7950","10.1039/D4GC02211D","","","1.34138","GaKα","","0.0426","0.0309","","","0.0778","0.0825","","","","","","1.037","","","","has coordinates","293163","2024-07-05","17:23:40",""
"7248766","7.4408","0.0001","8.1893","0.0002","12.2524","0.0003","87.694","0.002","82.047","0.002","85.253","0.002","736.57","0.03","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","tricarbonyl-imidazole-(quinolin-8-olato-N,O)-rhenium(I)","","- C15 H10 N3 O4 Re -","- C15 H10 N3 O4 Re -","- C30 H20 N6 O8 Re2 -","2","1","","Łyczko, Krzysztof; Pogorzelska, Anna; Częścik, Urszula; Koronkiewicz, Mirosława; Rode, Joanna E.; Bednarek, Elżbieta; Kawęcki, Robert; Węgrzyńska, Karolina; Baraniak, Anna; Milczarek, Małgorzata; Dobrowolski, Jan Cz.","Tricarbonyl rhenium(i) complexes with 8-hydroxyquinolines: structural, chemical, antibacterial, and anticancer characteristics","RSC Advances","2024","14","25","18080","18092","10.1039/D4RA03141E","","","0.71073","MoKα","","0.0189","0.0166","","","0.0317","0.0324","","","","","","1.077","","","","has coordinates","292224","2024-06-06","01:21:04",""
"7248767","10.2609","0.0001","17.445","0.0002","23.0438","0.0003","90","","93.555","0.001","90","","4116.94","0.08","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H15.5 N3.5 O4 Re -","- C22 H15.5 N3.5 O4 Re -","- C176 H124 N28 O32 Re8 -","8","1","","Łyczko, Krzysztof; Pogorzelska, Anna; Częścik, Urszula; Koronkiewicz, Mirosława; Rode, Joanna E.; Bednarek, Elżbieta; Kawęcki, Robert; Węgrzyńska, Karolina; Baraniak, Anna; Milczarek, Małgorzata; Dobrowolski, Jan Cz.","Tricarbonyl rhenium(i) complexes with 8-hydroxyquinolines: structural, chemical, antibacterial, and anticancer characteristics","RSC Advances","2024","14","25","18080","18092","10.1039/D4RA03141E","","","1.54184","CuKα","","0.0294","0.0251","","","0.06","0.0626","","","","","","1.037","","","","has coordinates,has disorder","292224","2024-06-06","01:21:05",""
"7248768","8.1183","0.0002","20.2662","0.0004","10.2281","0.0002","90","","95.549","0.002","90","","1674.91","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tricarbonyl-(3,5-dimethylpyrazole)-(quinolin-8-olato-N,O)-rhenium(I)","","- C17 H14 N3 O4 Re -","- C17 H14 N3 O4 Re -","- C68 H56 N12 O16 Re4 -","4","1","","Łyczko, Krzysztof; Pogorzelska, Anna; Częścik, Urszula; Koronkiewicz, Mirosława; Rode, Joanna E.; Bednarek, Elżbieta; Kawęcki, Robert; Węgrzyńska, Karolina; Baraniak, Anna; Milczarek, Małgorzata; Dobrowolski, Jan Cz.","Tricarbonyl rhenium(i) complexes with 8-hydroxyquinolines: structural, chemical, antibacterial, and anticancer characteristics","RSC Advances","2024","14","25","18080","18092","10.1039/D4RA03141E","","x-ray","0.71073","MoKα","","0.0332","0.0258","","","0.0488","0.052","","","","","","1.083","","","","has coordinates","292224","2024-06-06","01:21:06",""
"7248769","13.0393","0.0001","9.4738","0.0001","14.1877","0.0001","90","","115.34","0.001","90","","1584","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tricarbonyl-(2-methylimidazole)-(quinolin-8-olato-N,O)-rhenium(I)","","- C16 H12 N3 O4 Re -","- C16 H12 N3 O4 Re -","- C64 H48 N12 O16 Re4 -","4","1","","Łyczko, Krzysztof; Pogorzelska, Anna; Częścik, Urszula; Koronkiewicz, Mirosława; Rode, Joanna E.; Bednarek, Elżbieta; Kawęcki, Robert; Węgrzyńska, Karolina; Baraniak, Anna; Milczarek, Małgorzata; Dobrowolski, Jan Cz.","Tricarbonyl rhenium(i) complexes with 8-hydroxyquinolines: structural, chemical, antibacterial, and anticancer characteristics","RSC Advances","2024","14","25","18080","18092","10.1039/D4RA03141E","","","1.54184","CuKα","","0.0212","0.0182","","","0.0424","0.0441","","","","","","1.047","","","","has coordinates","292224","2024-06-06","01:21:06",""
"7248770","7.37137","0.00015","8.22667","0.00018","12.8439","0.0004","104.939","0.002","94.72","0.002","93.3929","0.0017","747.38","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","tricarbonyl-imidazole-(2-methylquinolin-8-olato-N,O)-rhenium(I)","","- C16 H12 N3 O4 Re -","- C16 H12 N3 O4 Re -","- C32 H24 N6 O8 Re2 -","2","1","","Łyczko, Krzysztof; Pogorzelska, Anna; Częścik, Urszula; Koronkiewicz, Mirosława; Rode, Joanna E.; Bednarek, Elżbieta; Kawęcki, Robert; Węgrzyńska, Karolina; Baraniak, Anna; Milczarek, Małgorzata; Dobrowolski, Jan Cz.","Tricarbonyl rhenium(i) complexes with 8-hydroxyquinolines: structural, chemical, antibacterial, and anticancer characteristics","RSC Advances","2024","14","25","18080","18092","10.1039/D4RA03141E","","x-ray","1.54184","CuKα","","0.0167","0.0159","","","0.0389","0.0394","","","","","","1.051","","","","has coordinates","292224","2024-06-06","01:21:06",""
"7248771","7.5357","0.0003","8.1793","0.0003","12.8369","0.0006","85.268","0.003","78.455","0.004","84.5","0.003","770.02","0.06","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","tricarbonyl-imidazole-(5-chloroquinolin-8-olato-N,O)-rhenium(I)","","- C15 H9 Cl N3 O4 Re -","- C15 H9 Cl N3 O4 Re -","- C30 H18 Cl2 N6 O8 Re2 -","2","1","","Łyczko, Krzysztof; Pogorzelska, Anna; Częścik, Urszula; Koronkiewicz, Mirosława; Rode, Joanna E.; Bednarek, Elżbieta; Kawęcki, Robert; Węgrzyńska, Karolina; Baraniak, Anna; Milczarek, Małgorzata; Dobrowolski, Jan Cz.","Tricarbonyl rhenium(i) complexes with 8-hydroxyquinolines: structural, chemical, antibacterial, and anticancer characteristics","RSC Advances","2024","14","25","18080","18092","10.1039/D4RA03141E","","","0.71073","MoKα","","0.0202","0.0182","","","0.041","0.0418","","","","","","1.044","","","","has coordinates","292224","2024-06-06","01:21:06",""
"7248772","11.5721","0.0003","15.9025","0.0005","9.6875","0.0003","90","","106.476","0.003","90","","1709.54","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tricarbonyl-(3,5-dimethylpyrazole)-(2-methylquinolin-8-olato-N,O)-rhenium(I)","","- C18 H16 N3 O4 Re -","- C18 H16 N3 O4 Re -","- C72 H64 N12 O16 Re4 -","4","1","","Łyczko, Krzysztof; Pogorzelska, Anna; Częścik, Urszula; Koronkiewicz, Mirosława; Rode, Joanna E.; Bednarek, Elżbieta; Kawęcki, Robert; Węgrzyńska, Karolina; Baraniak, Anna; Milczarek, Małgorzata; Dobrowolski, Jan Cz.","Tricarbonyl rhenium(i) complexes with 8-hydroxyquinolines: structural, chemical, antibacterial, and anticancer characteristics","RSC Advances","2024","14","25","18080","18092","10.1039/D4RA03141E","","","0.71073","MoKα","","0.0215","0.0177","","","0.0371","0.0386","","","","","","1.087","","","","has coordinates","292224","2024-06-06","01:21:07",""
"7248773","8.1187","0.0002","9.2533","0.0003","11.835","0.0004","92.174","0.003","102.111","0.003","92.651","0.002","867.35","0.05","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","tricarbonyl-imidazole-(quinolin-8-olato-N,O)-rhenium(I) methanol solvate","","- C16 H14 N3 O5 Re -","- C16 H14 N3 O5 Re -","- C32 H28 N6 O10 Re2 -","2","1","","Łyczko, Krzysztof; Pogorzelska, Anna; Częścik, Urszula; Koronkiewicz, Mirosława; Rode, Joanna E.; Bednarek, Elżbieta; Kawęcki, Robert; Węgrzyńska, Karolina; Baraniak, Anna; Milczarek, Małgorzata; Dobrowolski, Jan Cz.","Tricarbonyl rhenium(i) complexes with 8-hydroxyquinolines: structural, chemical, antibacterial, and anticancer characteristics","RSC Advances","2024","14","25","18080","18092","10.1039/D4RA03141E","","","0.71073","MoKα","","0.0274","0.0247","","","0.045","0.0463","","","","","","1.013","","","","has coordinates","292224","2024-06-06","01:21:07",""
"7248774","6.45743","0.00012","15.9593","0.0003","15.6659","0.0002","90","","100.521","0.0016","90","","1587.32","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","methanol-tricarbonyl-(5-chloroquinolin-8-olato-N,O)-rhenium(I) methanol solvate","","- C14 H13 Cl N O6 Re -","- C14 H13 Cl N O6 Re -","- C56 H52 Cl4 N4 O24 Re4 -","4","1","","Łyczko, Krzysztof; Pogorzelska, Anna; Częścik, Urszula; Koronkiewicz, Mirosława; Rode, Joanna E.; Bednarek, Elżbieta; Kawęcki, Robert; Węgrzyńska, Karolina; Baraniak, Anna; Milczarek, Małgorzata; Dobrowolski, Jan Cz.","Tricarbonyl rhenium(i) complexes with 8-hydroxyquinolines: structural, chemical, antibacterial, and anticancer characteristics","RSC Advances","2024","14","25","18080","18092","10.1039/D4RA03141E","","","1.54184","CuKα","","0.0254","0.0192","","","0.0427","0.0442","","","","","","1.032","","","","has coordinates","292224","2024-06-06","01:21:07",""
"7248775","7.4449","0.0002","9.4022","0.0004","16.3685","0.0007","74.151","0.004","77.427","0.003","72.802","0.003","1041.18","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","tricarbonyl-(5-phenyl-1H-pyrazole)-(5-chloroquinolin-8-olato-N,O)-rhenium(I) methanol solvate","","- C22 H18 N3 O5 Re -","- C22 H18 N3 O5 Re -","- C44 H36 N6 O10 Re2 -","2","1","","Łyczko, Krzysztof; Pogorzelska, Anna; Częścik, Urszula; Koronkiewicz, Mirosława; Rode, Joanna E.; Bednarek, Elżbieta; Kawęcki, Robert; Węgrzyńska, Karolina; Baraniak, Anna; Milczarek, Małgorzata; Dobrowolski, Jan Cz.","Tricarbonyl rhenium(i) complexes with 8-hydroxyquinolines: structural, chemical, antibacterial, and anticancer characteristics","RSC Advances","2024","14","25","18080","18092","10.1039/D4RA03141E","","","1.54184","CuKα","","0.0253","0.0246","","","0.0637","0.0641","","","","","","1.104","","","","has coordinates","292224","2024-06-06","01:21:09",""
"7248776","7.96094","0.00006","19.9948","0.0002","11.1475","0.00011","90","","95.6676","0.0008","90","","1765.76","0.03","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tricarbonyl-(3,5-dimethylpyrazole)-(5-chloroquinolin-8-olato-N,O)-rhenium(I)","","- C17 H13 Cl N3 O4 Re -","- C17 H13 Cl N3 O4 Re -","- C68 H52 Cl4 N12 O16 Re4 -","4","1","","Łyczko, Krzysztof; Pogorzelska, Anna; Częścik, Urszula; Koronkiewicz, Mirosława; Rode, Joanna E.; Bednarek, Elżbieta; Kawęcki, Robert; Węgrzyńska, Karolina; Baraniak, Anna; Milczarek, Małgorzata; Dobrowolski, Jan Cz.","Tricarbonyl rhenium(i) complexes with 8-hydroxyquinolines: structural, chemical, antibacterial, and anticancer characteristics","RSC Advances","2024","14","25","18080","18092","10.1039/D4RA03141E","","x-ray","1.54184","CuKα","","0.0253","0.0217","","","0.0431","0.0444","","","","","","1.054","","","","has coordinates","292224","2024-06-06","01:21:18",""
"7248777","7.895","0.0002","10.3914","0.0004","12.3893","0.0003","79.872","0.003","84.527","0.002","83.437","0.003","991.07","0.05","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","tricarbonyl-(5-phenyl-1H-pyrazole)-(2-methylquinolin-8-olato-N,O)-rhenium(I)","","- C22 H16 N3 O4 Re -","- C22 H16 N3 O4 Re -","- C44 H32 N6 O8 Re2 -","2","1","","Łyczko, Krzysztof; Pogorzelska, Anna; Częścik, Urszula; Koronkiewicz, Mirosława; Rode, Joanna E.; Bednarek, Elżbieta; Kawęcki, Robert; Węgrzyńska, Karolina; Baraniak, Anna; Milczarek, Małgorzata; Dobrowolski, Jan Cz.","Tricarbonyl rhenium(i) complexes with 8-hydroxyquinolines: structural, chemical, antibacterial, and anticancer characteristics","RSC Advances","2024","14","25","18080","18092","10.1039/D4RA03141E","","","1.54184","CuKα","","0.0224","0.0218","","","0.0549","0.0552","","","","","","1.087","","","","has coordinates","292224","2024-06-06","01:21:21",""
"7248778","9.8714","0.0006","10.2322","0.0006","11.4613","0.0006","67.014","0.005","75.785","0.005","65.454","0.006","964.62","0.11","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","tricarbonyl-(5-phenyl-1H-pyrazole)-(5-chloroquinolin-8-olato-N,O)-rhenium(I)","","- C21 H13 Cl N3 O4 Re -","- C21 H13 Cl N3 O4 Re -","- C42 H26 Cl2 N6 O8 Re2 -","2","1","","Łyczko, Krzysztof; Pogorzelska, Anna; Częścik, Urszula; Koronkiewicz, Mirosława; Rode, Joanna E.; Bednarek, Elżbieta; Kawęcki, Robert; Węgrzyńska, Karolina; Baraniak, Anna; Milczarek, Małgorzata; Dobrowolski, Jan Cz.","Tricarbonyl rhenium(i) complexes with 8-hydroxyquinolines: structural, chemical, antibacterial, and anticancer characteristics","RSC Advances","2024","14","25","18080","18092","10.1039/D4RA03141E","","","1.54184","CuKα","","0.0365","0.0289","","","0.0635","0.0659","","","","","","1.035","","","","has coordinates","292224","2024-06-06","01:21:30",""
"7248779","14.2506","0.0003","15.7017","0.0003","18.1171","0.0004","90","","111.31","0.003","90","","3776.69","0.16","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tricarbonyl-(2-methylimidazole)-(5-chloroquinolin-8-olato-N,O)-rhenium(I)acetonitrile solvate","","- C18 H14 Cl N4 O4 Re -","- C18 H14 Cl N4 O4 Re -","- C144 H112 Cl8 N32 O32 Re8 -","8","2","","Łyczko, Krzysztof; Pogorzelska, Anna; Częścik, Urszula; Koronkiewicz, Mirosława; Rode, Joanna E.; Bednarek, Elżbieta; Kawęcki, Robert; Węgrzyńska, Karolina; Baraniak, Anna; Milczarek, Małgorzata; Dobrowolski, Jan Cz.","Tricarbonyl rhenium(i) complexes with 8-hydroxyquinolines: structural, chemical, antibacterial, and anticancer characteristics","RSC Advances","2024","14","25","18080","18092","10.1039/D4RA03141E","","","1.54184","CuKα","","0.0336","0.0276","","","0.068","0.0714","","","","","","1.035","","","","has coordinates,has disorder","292224","2024-06-06","01:21:32",""
"7248780","7.23554","0.00004","17.95049","0.00011","12.33498","0.0001","90","","93.2445","0.0006","90","","1599.52","0.019","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tricarbonyl-(2-methylimidazole)-(2-methylquinolin-8-olato-N,O)-rhenium(I)","","- C17 H14 N3 O4 Re -","- C17 H14 N3 O4 Re -","- C68 H56 N12 O16 Re4 -","4","1","","Łyczko, Krzysztof; Pogorzelska, Anna; Częścik, Urszula; Koronkiewicz, Mirosława; Rode, Joanna E.; Bednarek, Elżbieta; Kawęcki, Robert; Węgrzyńska, Karolina; Baraniak, Anna; Milczarek, Małgorzata; Dobrowolski, Jan Cz.","Tricarbonyl rhenium(i) complexes with 8-hydroxyquinolines: structural, chemical, antibacterial, and anticancer characteristics","RSC Advances","2024","14","25","18080","18092","10.1039/D4RA03141E","","","1.54184","CuKα","","0.0134","0.0126","","","0.03","0.0303","","","","","","1.064","","","","has coordinates","292224","2024-06-06","01:21:40",""
"7248781","12.1399","0.0008","3.6287","0.0003","11.6102","0.0007","90","","90","","90","","511.45","0.06","100","2","100","2","","","","","","","","4","P m n a","-P 2ac 2","53","","","","- C2 H4 N6 O -","- C2 H4 N6 O -","- C8 H16 N24 O4 -","4","0.5","","Balabanova, Sofya P.; Voronin, Alexey A.; Churakov, Alexandr M.; Klenov, Michael S.; Fedyanin, Ivan V.; Pivkina, Alla N.; Meerov, Dmitry B.; Kon'kova, Tatiana S.; Matyushin, Yurii N.; Strelenko, Yurii A.; Erokhin, Kirill S.; Zelenov, Victor P.; Tartakovsky, Vladimir A.","Insight into the structural and energetic features of substituted triazolofurazans","CrystEngComm","2024","26","25","3349","3362","10.1039/D4CE00329B","","","0.71073","MoKα","","0.0518","0.0441","","","0.1041","0.1116","","","","","","1.028","","","","has coordinates","292962","2024-07-05","15:28:48",""
"7248782","20.0924","0.0005","5.8345","0.0001","12.1652","0.0003","90","","98.823","0.001","90","","1409.24","0.06","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2 H4 N8 O3 -","- C2 H4 N8 O3 -","- C16 H32 N64 O24 -","8","1","","Balabanova, Sofya P.; Voronin, Alexey A.; Churakov, Alexandr M.; Klenov, Michael S.; Fedyanin, Ivan V.; Pivkina, Alla N.; Meerov, Dmitry B.; Kon'kova, Tatiana S.; Matyushin, Yurii N.; Strelenko, Yurii A.; Erokhin, Kirill S.; Zelenov, Victor P.; Tartakovsky, Vladimir A.","Insight into the structural and energetic features of substituted triazolofurazans","CrystEngComm","2024","26","25","3349","3362","10.1039/D4CE00329B","","","0.71073","MoKα","","0.031","0.0293","","","0.079","0.0801","","","","","","1.074","","","","has coordinates","292962","2024-07-05","15:28:49",""
"7248783","19.6742","0.0016","3.7044","0.0003","8.671","0.0006","90","","90","","90","","631.95","0.08","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C2 H7 N7 O2 -","- C2 H7 N7 O2 -","- C8 H28 N28 O8 -","4","1","","Balabanova, Sofya P.; Voronin, Alexey A.; Churakov, Alexandr M.; Klenov, Michael S.; Fedyanin, Ivan V.; Pivkina, Alla N.; Meerov, Dmitry B.; Kon'kova, Tatiana S.; Matyushin, Yurii N.; Strelenko, Yurii A.; Erokhin, Kirill S.; Zelenov, Victor P.; Tartakovsky, Vladimir A.","Insight into the structural and energetic features of substituted triazolofurazans","CrystEngComm","2024","26","25","3349","3362","10.1039/D4CE00329B","","","0.71073","MoKα","","0.0437","0.0399","","","0.093","0.096","","","","","","1.051","","","","has coordinates","292962","2024-07-05","15:28:49",""
"7248784","14.1872","0.0015","9.3706","0.0007","8.6822","0.0008","90","","90","","90","","1154.23","0.18","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C2 H5 N7 O -","- C2 H5 N7 O -","- C16 H40 N56 O8 -","8","2","","Balabanova, Sofya P.; Voronin, Alexey A.; Churakov, Alexandr M.; Klenov, Michael S.; Fedyanin, Ivan V.; Pivkina, Alla N.; Meerov, Dmitry B.; Kon'kova, Tatiana S.; Matyushin, Yurii N.; Strelenko, Yurii A.; Erokhin, Kirill S.; Zelenov, Victor P.; Tartakovsky, Vladimir A.","Insight into the structural and energetic features of substituted triazolofurazans","CrystEngComm","2024","26","25","3349","3362","10.1039/D4CE00329B","","","0.71073","MoKα","","0.0791","0.055","","","0.1046","0.1164","","","","","","1.009","","","","has coordinates","292962","2024-07-05","15:28:49",""
"7248785","20.0632","0.0007","9.1635","0.0003","32.526","0.001","90","","107.488","0.003","90","","5703.5","0.3","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H25 Ce N4 O7 -","- C29 H25 Ce N4 O7 -","- C232 H200 Ce8 N32 O56 -","8","1","","Liu, Tong-Ji; Xu, Hang; Shi, Ying; Zhao, Bin","A highly stable cerium–organic framework: an efficient catalyst for the cycloaddition of CO2 and aziridines under mild-pressure","CrystEngComm","2024","26","27","3687","3693","10.1039/D4CE00167B","","x-ray","0.71073","MoKα","","0.0341","0.0276","","","0.0508","0.0536","","","","","","1.108","","","","has coordinates","293796","2024-08-05","18:27:32",""
"7248786","10.1527","0.0001","21.4379","0.0003","12.6218","0.0002","90","","96.047","0.001","90","","2731.88","0.06","120","0.1","120","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H50 Cu2 N10 O14 -","- C56 H50 Cu2 N10 O14 -","- C112 H100 Cu4 N20 O28 -","2","0.5","","Marttinen, Antti; Lahtinen, Manu","Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties","CrystEngComm","2024","26","25","3388","3400","10.1039/D4CE00399C","","x-ray","1.54184","CuKα","","0.0458","0.0396","","","0.101","0.1059","","","","","","1.042","","","","has coordinates,has disorder","292965","2024-07-05","15:29:35",""
"7248787","10.8808","0.0003","11.1603","0.0003","12.5136","0.0003","111.044","0.002","107.145","0.002","95.432","0.002","1320.49","0.07","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C56 H44 Cu2 N10 O12 -","- C56 H44 Cu2 N10 O12 -","- C56 H44 Cu2 N10 O12 -","1","0.5","","Marttinen, Antti; Lahtinen, Manu","Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties","CrystEngComm","2024","26","25","3388","3400","10.1039/D4CE00399C","","x-ray","1.54184","CuKα","","0.056","0.0476","","","0.1154","0.1198","","","","","","1.078","","","","has coordinates,has disorder","292965","2024-07-05","15:29:35",""
"7248788","7.1723","0.0001","10.3009","0.0001","13.3438","0.0001","90","","99.696","0.001","90","","971.773","0.018","120.01","0.1","120.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N6 O6 -","- C20 H16 N6 O6 -","- C40 H32 N12 O12 -","2","0.5","","Marttinen, Antti; Lahtinen, Manu","Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties","CrystEngComm","2024","26","25","3388","3400","10.1039/D4CE00399C","","x-ray","1.54184","CuKα","","0.0406","0.0377","","","0.1011","0.1034","","","","","","1.098","","","","has coordinates","292965","2024-07-05","15:29:36",""
"7248789","10.1841","0.0002","22.1378","0.0004","12.2623","0.0002","90","","96.771","0.002","90","","2745.3","0.09","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H48 N10 Ni2 O13 -","- C56 H48 N10 Ni2 O13 -","- C112 H96 N20 Ni4 O26 -","2","0.5","","Marttinen, Antti; Lahtinen, Manu","Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties","CrystEngComm","2024","26","25","3388","3400","10.1039/D4CE00399C","","x-ray","1.54184","CuKα","","0.0891","0.0572","","","0.1235","0.1377","","","","","","1.082","","","","has coordinates,has disorder","292965","2024-07-05","15:29:36",""
"7248790","11.2569","0.0011","13.4025","0.0017","13.5086","0.0013","61.328","0.011","71.172","0.009","75.382","0.01","1680.8","0.4","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C76 H55 N14 Ni2 O10.5 -","- C76 H55 N14 Ni2 O10.5 -","- C76 H55 N14 Ni2 O10.5 -","1","0.5","","Marttinen, Antti; Lahtinen, Manu","Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties","CrystEngComm","2024","26","25","3388","3400","10.1039/D4CE00399C","","x-ray","1.54184","CuKα","","0.0989","0.0644","","","0.1346","0.1493","","","","","","1.078","","","","has coordinates","292965","2024-07-05","15:29:36",""
"7248791","10.1534","0.0002","10.8388","0.0002","17.2424","0.0002","88.548","0.001","89.922","0.002","84.669","0.002","1888.72","0.06","120.15","","120.15","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H44 Cu8 N8 O32 S4 -","- C72 H44 Cu8 N8 O32 S4 -","- C72 H44 Cu8 N8 O32 S4 -","1","0.5","","Marttinen, Antti; Lahtinen, Manu","Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties","CrystEngComm","2024","26","25","3388","3400","10.1039/D4CE00399C","","x-ray","1.54184","CuKα","","0.0526","0.0438","","","0.1075","0.1118","","","","","","1.031","","","","has coordinates,has disorder","292965","2024-07-05","15:29:36",""
"7248792","13.5935","0.0003","29.6842","0.0009","17.6639","0.0005","90","","104.823","0.003","90","","6890.4","0.3","273","0.1","273","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C128 H132 N24 Ni3 O32 S2 -","- C116 H80 N20 Ni3 O16 S2 -","- C232 H160 N40 Ni6 O32 S4 -","2","0.5","","Marttinen, Antti; Lahtinen, Manu","Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties","CrystEngComm","2024","26","25","3388","3400","10.1039/D4CE00399C","","x-ray","1.54184","CuKα","","0.0943","0.0809","","","0.2226","0.2324","","","","","","1.053","","","","has coordinates,has disorder","292965","2024-07-05","15:29:36",""
"7248793","13.6311","0.0001","30.6414","0.0001","16.9666","0.0001","90","","104.013","0.001","90","","6875.65","0.07","120.15","","120.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C134 H146 N26 Ni3 O34 S2 -","- C134 H146 N26 Ni3 O34 S2 -","- C268 H292 N52 Ni6 O68 S4 -","2","0.5","","Marttinen, Antti; Lahtinen, Manu","Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties","CrystEngComm","2024","26","25","3388","3400","10.1039/D4CE00399C","","x-ray","1.54184","CuKα","","0.0546","0.0506","","","0.1334","0.1366","","","","","","1.063","","","","has coordinates,has disorder","292965","2024-07-05","15:29:36",""
"7248794","13.6178","0.0001","29.7718","0.0002","17.1157","0.0002","90","","104.098","0.001","90","","6730.15","0.11","120","0.1","120","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C128 H136 N24 Ni3 O34 S2 -","- C116 H80 N20 Ni3 O16 S2 -","- C232 H160 N40 Ni6 O32 S4 -","2","0.5","","Marttinen, Antti; Lahtinen, Manu","Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties","CrystEngComm","2024","26","25","3388","3400","10.1039/D4CE00399C","","x-ray","1.54184","CuKα","","0.0911","0.0857","","","0.2222","0.2267","","","","","","1.083","","","","has coordinates,has disorder","292965","2024-07-05","15:29:36",""
"7248795","7.8012","0.0003","5.3813","0.0002","12.1746","0.0004","90","","102.724","0.0011","90","","498.55","0.03","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Analyl-glycyl-glycine monohydrate","","- C7 H15 N3 O5 -","- C7 H15 N3 O5 -","- C14 H30 N6 O10 -","2","1","","Toomey, Ryan; Wang, Luther; Heider, Emily C.; Hartman, Joshua D.; Nichols, Alexander J.; Myles, Dean A. A.; Gardberg, Anna S.; McIntyre, Garry J.; Zeller, Matthias; Mehta, Manish A.; Harper, James K.","NMR-guided refinement of crystal structures using 15N chemical shift tensors","CrystEngComm","2024","26","25","3289","3302","10.1039/D4CE00237G","","","1.5","neutron","","0.0554","0.0549","","","0.1351","0.1355","","","","","","1.071","","","","has coordinates","292964","2024-07-05","15:29:06",""
"7248796","15.1803","0.0007","15.8937","0.0008","31.1603","0.0012","90","","90","","90","","7518.1","0.6","296","2","296.15","","","","","","","","","5","P n n n :2","-P 2ab 2bc","48","","","","- C37 H26 Cd N2 O6 -","- C37 H26 Cd N2 O6 -","- C296 H208 Cd8 N16 O48 -","8","1","","Chen, Wei-Min; Zhang, Yi; Xue, Zhen-Dong; Zhu, Hao-Yu; Gao, Qiang; Chen, Li-Zhuang; Wang, Fang-Ming","Three new AIE-cored luminescent Cd-based MOFs with high quantum yields and selective detection of ions in aqueous media","CrystEngComm","2024","26","26","3483","3489","10.1039/D4CE00446A","","","0.71073","MoKα","","0.1882","0.0742","","","0.1681","0.2225","","","","","","1.001","","","","has coordinates","292946","2024-07-05","15:20:37",""
"7248797","11.7204","0.0002","8.4362","0.0002","21.7076","0.0005","90","","98.393","0.002","90","","2123.37","0.08","113.15","","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 Cl N4 O6 -","- C21 H23 Cl N4 O6 -","- C84 H92 Cl4 N16 O24 -","4","1","","Zhang, Liang; Wu, Di; Zhang, Menglong; Yu, Fuhai; Bao, Ying; Xie, Chuang; Hou, Baohong; Jing, Dingding; Zhang, Chuntao; Chen, Wei","Theoretical and experimental study of pharmaceutical salts: a case of trimethoprim","CrystEngComm","2024","26","28","3808","3822","10.1039/D4CE00345D","","x-ray","0.71073","MoKα","","0.0533","0.0441","","","0.1099","0.1178","","","","","","1.036","","","","has coordinates","293785","2024-08-05","18:25:03",""
"7248798","17.5775","0.0009","8.5067","0.0004","16.7661","0.0009","90","","106.408","0.006","90","","2404.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 N4 O8 -","- C24 H30 N4 O8 -","- C96 H120 N16 O32 -","4","1","","Zhang, Liang; Wu, Di; Zhang, Menglong; Yu, Fuhai; Bao, Ying; Xie, Chuang; Hou, Baohong; Jing, Dingding; Zhang, Chuntao; Chen, Wei","Theoretical and experimental study of pharmaceutical salts: a case of trimethoprim","CrystEngComm","2024","26","28","3808","3822","10.1039/D4CE00345D","","x-ray","0.71073","MoKα","","0.1354","0.0918","","","0.1788","0.2","","","","","","1.144","","","","has coordinates","293785","2024-08-05","18:25:04",""
"7248799","12.0964","0.0003","9.7449","0.0002","20.4019","0.0006","90","","101.15","0.002","90","","2359.54","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N5 O7 -","- C23 H27 N5 O7 -","- C92 H108 N20 O28 -","4","1","","Zhang, Liang; Wu, Di; Zhang, Menglong; Yu, Fuhai; Bao, Ying; Xie, Chuang; Hou, Baohong; Jing, Dingding; Zhang, Chuntao; Chen, Wei","Theoretical and experimental study of pharmaceutical salts: a case of trimethoprim","CrystEngComm","2024","26","28","3808","3822","10.1039/D4CE00345D","","x-ray","0.71073","MoKα","","0.1613","0.0944","","","0.1802","0.2138","","","","","","1.062","","","","has coordinates","293785","2024-08-05","18:25:04",""
"7248800","12.2812","0.0002","11.5143","0.0002","14.0952","0.0002","90","","107.887","0.002","90","","1896.85","0.06","113.15","","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H44 N8 O12 S2 -","- C38 H44 N8 O12 S2 -","- C76 H88 N16 O24 S4 -","2","0.5","","Zhang, Liang; Wu, Di; Zhang, Menglong; Yu, Fuhai; Bao, Ying; Xie, Chuang; Hou, Baohong; Jing, Dingding; Zhang, Chuntao; Chen, Wei","Theoretical and experimental study of pharmaceutical salts: a case of trimethoprim","CrystEngComm","2024","26","28","3808","3822","10.1039/D4CE00345D","","x-ray","0.71073","MoKα","","0.0402","0.0365","","","0.095","0.0984","","","","","","1.009","","","","has coordinates","293785","2024-08-05","18:25:04",""
"7248801","10.6038","0.0007","12.9331","0.0011","14.4781","0.0008","67.818","0.006","84.598","0.005","84.69","0.006","1826.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H42 N10 O11 -","- C34 H42 N10 O11 -","- C68 H84 N20 O22 -","2","1","","Zhang, Liang; Wu, Di; Zhang, Menglong; Yu, Fuhai; Bao, Ying; Xie, Chuang; Hou, Baohong; Jing, Dingding; Zhang, Chuntao; Chen, Wei","Theoretical and experimental study of pharmaceutical salts: a case of trimethoprim","CrystEngComm","2024","26","28","3808","3822","10.1039/D4CE00345D","","x-ray","1.54184","CuKα","","0.0983","0.06","","","0.1517","0.1786","","","","","","1.026","","","","has coordinates","293785","2024-08-05","18:25:04",""
"7248802","14.4664","0.0004","12.6295","0.0002","12.7478","0.0004","90","","111.155","0.003","90","","2172.1","0.11","113.15","","113.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20.37 H23.49 N6 O7.37 -","- C20.372 H23.488 N6 O7.372 -","- C81.488 H93.952 N24 O29.488 -","4","1","","Zhang, Liang; Wu, Di; Zhang, Menglong; Yu, Fuhai; Bao, Ying; Xie, Chuang; Hou, Baohong; Jing, Dingding; Zhang, Chuntao; Chen, Wei","Theoretical and experimental study of pharmaceutical salts: a case of trimethoprim","CrystEngComm","2024","26","28","3808","3822","10.1039/D4CE00345D","","x-ray","0.71073","MoKα","","0.0623","0.0512","","","0.1301","0.1395","","","","","","1.02","","","","has coordinates,has disorder","293785","2024-08-05","18:25:04",""
"7248803","16.9699","0.0004","17.1267","0.0005","17.9029","0.0003","63.782","0.003","64.481","0.002","84.746","0.002","4181.1","0.2","113.15","","113.15","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 N4 O8 -","- C20 H22 N4 O8 -","- C160 H176 N32 O64 -","8","4","","Zhang, Liang; Wu, Di; Zhang, Menglong; Yu, Fuhai; Bao, Ying; Xie, Chuang; Hou, Baohong; Jing, Dingding; Zhang, Chuntao; Chen, Wei","Theoretical and experimental study of pharmaceutical salts: a case of trimethoprim","CrystEngComm","2024","26","28","3808","3822","10.1039/D4CE00345D","","x-ray","0.71073","MoKα","","0.0797","0.0595","","","0.1476","0.1662","","","","","","1.03","","","","has coordinates","293785","2024-08-05","18:25:04",""
"7248804","11.4318","0.0001","11.9311","0.0001","12.8427","0.0002","83.493","0.001","68.677","0.001","61.801","0.001","1434.43","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H34 N4 O11 S2 -","- C26 H34 N4 O11 S2 -","- C52 H68 N8 O22 S4 -","2","1","","Zhang, Liang; Wu, Di; Zhang, Menglong; Yu, Fuhai; Bao, Ying; Xie, Chuang; Hou, Baohong; Jing, Dingding; Zhang, Chuntao; Chen, Wei","Theoretical and experimental study of pharmaceutical salts: a case of trimethoprim","CrystEngComm","2024","26","28","3808","3822","10.1039/D4CE00345D","","x-ray","0.71073","MoKα","","0.0589","0.0464","","","0.1116","0.1201","","","","","","1.037","","","","has coordinates","293785","2024-08-05","18:25:04",""
"7248805","8.8391","0.0005","26.4003","0.0012","9.9765","0.0005","90","","106.136","0.005","90","","2236.4","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 B2 Cu F8 N8 O4 -","- C42 H48 B2 Cu F8 N8 O4 -","- C84 H96 B4 Cu2 F16 N16 O8 -","2","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0715","0.0442","","","0.0839","0.0925","","","","","","1.025","","","","has coordinates,has disorder","292948","2024-07-05","15:21:34",""
"7248806","8.9408","0.0008","9.5997","0.0011","13.2336","0.0009","104.392","0.008","92.473","0.007","106.907","0.009","1044.43","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H44 B2 Cu F8 N8 O2 -","- C40 H44 B2 Cu F8 N8 O2 -","- C40 H44 B2 Cu F8 N8 O2 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0867","0.0667","","","0.1458","0.1626","","","","","","1.055","","","","has coordinates,has disorder","292948","2024-07-05","15:21:35",""
"7248807","9.016","0.0008","9.6842","0.0007","13.7262","0.0008","69.875","0.006","80.108","0.007","72.626","0.007","1070.76","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40.2 H43.2 B2 Cu F8 N8 O1.4 -","- C40.2 H43.2 B2 Cu F8 N8 O1.4 -","- C40.2 H43.2 B2 Cu F8 N8 O1.4 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","1.54184","CuKα","","0.0962","0.0845","","","0.2183","0.2317","","","","","","1.026","","","","has coordinates,has disorder","292948","2024-07-05","15:21:35",""
"7248808","15.0482","0.0005","15.3209","0.0005","16.1054","0.0007","103.71","0.003","110.373","0.004","100.587","0.003","3234","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41.333 H45.333 B2 Cu F8 N8 O1.333 -","- C41.3333 H45.3333 B2 Cu F8 N8 O1.33333 -","- C124 H136 B6 Cu3 F24 N24 O4 -","3","1.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0867","0.0573","","","0.1353","0.1558","","","","","","1.038","","","","has coordinates","292948","2024-07-05","15:21:35",""
"7248809","8.8582","0.0004","9.5536","0.0007","13.4305","0.0009","105.47","0.006","92.908","0.005","107.642","0.005","1033.13","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H40 B2 Cu F8 N8 O2 -","- C38 H40 B2 Cu F8 N8 O2 -","- C38 H40 B2 Cu F8 N8 O2 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0509","0.0442","","","0.0983","0.1036","","","","","","1.056","","","","has coordinates,has disorder","292948","2024-07-05","15:21:35",""
"7248810","9.234","0.0006","9.995","0.0008","13.3246","0.0009","105.451","0.006","94.995","0.005","104.322","0.006","1132.98","0.15","100","2","100","2","","","","","","","1-butanol/n-hexane","7","P -1","-P 1","2","","","","- C44 H52 B2 Cu F8 N8 O2 -","- C44 H52 B2 Cu F8 N8 O2 -","- C44 H52 B2 Cu F8 N8 O2 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0861","0.0634","","","0.1504","0.1593","","","","","","1.182","","","","has coordinates","292948","2024-07-05","15:21:35",""
"7248811","9.3029","0.0007","9.9439","0.0008","14.3527","0.0011","73.234","0.007","73.473","0.007","73.13","0.007","1187.02","0.17","100","2","100","2","","","","","","","1-pentanol/diethyl ether","7","P -1","-P 1","2","","","","- C46 H56 B2 Cu F8 N8 O2 -","- C46 H56 B2 Cu F8 N8 O2 -","- C46 H56 B2 Cu F8 N8 O2 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","1.54184","CuKα","","0.0401","0.0347","","","0.0872","0.0922","","","","","","1.054","","","","has coordinates,has disorder","292948","2024-07-05","15:21:35",""
"7248812","9.1101","0.0003","9.9335","0.0004","13.3316","0.0006","104.812","0.004","94.552","0.003","104.842","0.004","1113.82","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H48 B2 Cu F8 N8 O2 -","- C42 H48 B2 Cu F8 N8 O2 -","- C42 H48 B2 Cu F8 N8 O2 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0557","0.0431","","","0.097","0.1051","","","","","","1.072","","","","has coordinates","292948","2024-07-05","15:21:35",""
"7248813","9.4113","0.0009","10.2218","0.0012","12.812","0.0012","87.054","0.009","75.179","0.009","70.705","0.01","1123.8","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H48 B2 Cu F8 N8 O2 -","- C44 H48 B2 Cu F8 N8 O2 -","- C44 H48 B2 Cu F8 N8 O2 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0761","0.0565","","","0.138","0.1537","","","","","","1.061","","","","has coordinates,has disorder","292948","2024-07-05","15:21:35",""
"7248814","8.95","0.003","9.655","0.003","13.284","0.004","73.31","0.03","87.75","0.02","72.57","0.03","1047.7","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39.6 H39.2 B2 Cu F8 N8 O1.2 -","- C39.6 H39.2 B2 Cu F8 N8 O1.2 -","- C39.6 H39.2 B2 Cu F8 N8 O1.2 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.1478","0.0891","","","0.2167","0.2647","","","","","","1.043","","","","has coordinates,has disorder","292948","2024-07-05","15:21:35",""
"7248815","17.5681","0.0007","9.8878","0.0003","24.2057","0.0009","90","","96.253","0.003","90","","4179.8","0.3","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C38.8 H40.4 Cu F4 N8.8 O5.6 Si2 -","- C38.8 H40.4 Cu F4 N8.8 O5.6 Si2 -","- C155.2 H161.6 Cu4 F16 N35.2 O22.4 Si8 -","4","1","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0778","0.061","","","0.1546","0.1676","","","","","","1.061","","","","has coordinates,has disorder","292948","2024-07-05","15:21:35",""
"7248816","8.7411","0.001","9.7698","0.0014","12.811","0.002","97.513","0.013","93.679","0.012","107.576","0.012","1027.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H46 B2 Cu F8 N8 -","- C42 H46 B2 Cu F8 N8 -","- C42 H46 B2 Cu F8 N8 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.064","0.0508","","","0.1155","0.1261","","","","","","1.06","","","","has coordinates","292948","2024-07-05","15:21:35",""
"7248817","9.2904","0.0012","9.9448","0.0016","14.0725","0.0019","110.2","0.013","94.866","0.011","105.768","0.012","1151.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H52 B2 Cu F8 N8 O2 -","- C44 H52 B2 Cu F8 N8 O2 -","- C44 H52 B2 Cu F8 N8 O2 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0796","0.0565","","","0.1292","0.1503","","","","","","1.051","","","","has coordinates,has disorder","292948","2024-07-05","15:21:35",""
"7248818","9.0724","0.0007","9.8173","0.0007","14.3397","0.0009","75.963","0.006","71.693","0.006","71.238","0.007","1133.8","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H46 B2 Cu F8 N10 O2 -","- C42 H46 B2 Cu F8 N10 O2 -","- C42 H46 B2 Cu F8 N10 O2 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0496","0.0401","","","0.0911","0.1003","","","","","","1.015","","","","has coordinates,has disorder","292948","2024-07-05","15:21:35",""
"7248819","9.2398","0.0007","9.9904","0.0009","12.6976","0.0012","78.043","0.008","85.634","0.007","73.908","0.007","1101.53","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C43.4 H46.8 B2 Cu F8 N8 O3.7 -","- C43.4 H46.8 B2 Cu F8 N8 O3.7 -","- C43.4 H46.8 B2 Cu F8 N8 O3.7 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.1355","0.0898","","","0.2293","0.269","","","","","","1.02","","","","has coordinates,has disorder","292948","2024-07-05","15:21:35",""
"7248820","8.7016","0.0006","9.8158","0.0008","12.9608","0.0014","96.464","0.008","96.268","0.008","106.15","0.007","1045.07","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40.2 H41.8 B2 Cu F8 N8 O0.7 -","- C40.2 H41.8 B2 Cu F8 N8 O0.7 -","- C40.2 H41.8 B2 Cu F8 N8 O0.7 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.1009","0.0855","","","0.2155","0.2269","","","","","","1.101","","","","has coordinates,has disorder","292948","2024-07-05","15:21:35",""
"7248821","8.6393","0.0005","9.7696","0.0006","12.8911","0.0008","99.164","0.005","93.555","0.005","106.361","0.006","1024.08","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39.44 H38.88 B2 Cu F8 N8 O1.72 -","- C39.44 H38.88 B2 Cu F8 N8 O1.72 -","- C39.44 H38.88 B2 Cu F8 N8 O1.72 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0619","0.0555","","","0.1438","0.15","","","","","","1.045","","","","has coordinates,has disorder","292948","2024-07-05","15:21:35",""
"7248822","8.5831","0.0009","9.7612","0.0011","12.8928","0.0011","98.221","0.008","93.854","0.008","107.301","0.01","1013.8","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H42 B2 Cu F8 N8 O -","- C40 H42 B2 Cu F8 N8 O -","- C40 H42 B2 Cu F8 N8 O -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0703","0.0466","","","0.0922","0.1025","","","","","","1.033","","","","has coordinates,has disorder","292948","2024-07-05","15:21:35",""
"7248823","11.1724","0.0004","12.347","0.0006","13.8235","0.0006","90","","90","","90","","1906.89","0.14","100","2","100","2","","","","","","","","7","P n n 2","P 2 -2n","34","","","","- C38 H35.8 B2 Cu F8 N9 O0.4 -","- C38 H35.8 B2 Cu F8 N9 O0.4 -","- C76 H71.6 B4 Cu2 F16 N18 O0.8 -","2","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0543","0.0453","","","0.1162","0.1259","","","","","","1.021","","","","has coordinates,has disorder","292948","2024-07-05","15:21:35",""
"7248824","25.691","0.002","5.5958","0.0005","19.8517","0.0018","90","","112.73","","90","","2632.3","0.4","122","2","122","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N2 O4 S -","- C12 H16 N2 O4 S -","- C96 H128 N16 O32 S8 -","8","2","","Sang, Ji-Wei; Chen, Hong; Zhang, Yu; Wang, Jinxin; Zhang, Wei-Dong","Photo-mediated radical relay oximinosulfonamidation of alkenes with N-nitrosamines triggered by DABSO","Green Chemistry","2024","26","13","7849","7856","10.1039/D4GC01976H","","","1.54178","CuKα","","0.0409","0.0358","","","0.0986","0.1028","","","","","","1.045","","","","has coordinates","293162","2024-07-05","17:23:30",""
"7248825","6.9645","0.0003","13.1363","0.0006","14.5331","0.0006","90","","93.668","0.004","90","","1326.88","0.1","100","0.11","100","0.11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H7 F4 N O -","- C19 H7 F4 N O -","- C76 H28 F16 N4 O4 -","4","1","","Deree, Yinon; Bogoslavsky, Benny; Schapiro, Igor; Gidron, Ori","The photochemistry and photophysics of benzoyl-carbazole.","Physical chemistry chemical physics : PCCP","2024","26","26","18048","18053","10.1039/d4cp01781a","","x-ray","0.71073","MoKα","","0.1142","0.072","","","0.1617","0.1806","","","","","","1.038","","","","has coordinates","293288","2024-07-05","18:07:28",""
"7248826","7.1351","0.0003","24.6782","0.0007","7.2386","0.0003","90","","107.239","0.004","90","","1217.32","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H13 Cd Cl4 N -","- C7 H13 Cd Cl4 N -","- C28 H52 Cd4 Cl16 N4 -","4","1","","Xu, Zhe-Kun; Zhang, Jia-Mei; Wang, Zhong-Xia","Homochiral hybrid hexagonal antiperovskite crystals [R- and S-3-chloroquinuclidinium]3(CdCl3)(CdCl4)","CrystEngComm","2024","26","28","3874","3879","10.1039/D4CE00504J","","","1.54178","CuKα","","0.1247","0.1025","","","0.2507","0.2752","","","","","","1.027","","","","has coordinates","293789","2024-08-05","18:26:01",""
"7248827","16.7102","0.0001","16.7102","0.0001","6.8101","0.0001","90","","90","","120","","1646.82","0.03","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C21 H39 Cd2 Cl10 N3 -","- C21 H39 Cd2 Cl10 N3 -","- C42 H78 Cd4 Cl20 N6 -","2","0.333333","","Xu, Zhe-Kun; Zhang, Jia-Mei; Wang, Zhong-Xia","Homochiral hybrid hexagonal antiperovskite crystals [R- and S-3-chloroquinuclidinium]3(CdCl3)(CdCl4)","CrystEngComm","2024","26","28","3874","3879","10.1039/D4CE00504J","","","1.54178","CuKα","","0.1148","0.1135","","","0.2707","0.2733","","","","","","1.191","","","","has coordinates","293789","2024-08-05","18:26:01",""
"7248828","8.3125","0.0009","9.4931","0.0009","11.6083","0.0011","90","","90","","90","","916.03","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 Cl2 N -","- C7 H13 Cl2 N -","- C28 H52 Cl8 N4 -","4","1","","Xu, Zhe-Kun; Zhang, Jia-Mei; Wang, Zhong-Xia","Homochiral hybrid hexagonal antiperovskite crystals [R- and S-3-chloroquinuclidinium]3(CdCl3)(CdCl4)","CrystEngComm","2024","26","28","3874","3879","10.1039/D4CE00504J","","x-ray","0.71073","MoKα","","0.0742","0.0487","","","0.1255","0.1381","","","","","","1.032","","","","has coordinates","293789","2024-08-05","18:26:01",""
"7248829","16.8561","0.0013","16.8561","0.0013","6.8554","0.0005","90","","90","","120","","1686.9","0.2","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C21 H39 Cd2 Cl10 N3 -","- C21 H39 Cd2 Cl10 N3 -","- C42 H78 Cd4 Cl20 N6 -","2","0.333333","","Xu, Zhe-Kun; Zhang, Jia-Mei; Wang, Zhong-Xia","Homochiral hybrid hexagonal antiperovskite crystals [R- and S-3-chloroquinuclidinium]3(CdCl3)(CdCl4)","CrystEngComm","2024","26","28","3874","3879","10.1039/D4CE00504J","","x-ray","0.71073","MoKα","","0.0681","0.0447","","","0.0953","0.1044","","","","","","0.998","","","","has coordinates","293789","2024-08-05","18:26:01",""
"7248830","8.3391","0.001","9.0572","0.001","15.2669","0.0017","91.249","0.003","100.527","0.003","93.264","0.003","1131.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H20 F4 N4 O3 S -","- C23 H20 F4 N4 O3 S -","- C46 H40 F8 N8 O6 S2 -","2","1","","Prashanth, Jupally; Voronin, Alexander P.; Surov, Artem O.; Balasubramanian, Sridhar","Design of pyrazine cocrystals of enzalutamide: a lead from 1,4-dioxane solvates","CrystEngComm","2024","26","28","3851","3866","10.1039/D4CE00566J","","","0.71073","MoKα","","0.0469","0.0357","","","0.0874","0.0946","","","","","","1.026","","","","has coordinates,has disorder","293787","2024-08-05","18:25:33",""
"7248831","8.2956","0.0007","9.1182","0.0008","15.2824","0.0014","91.758","0.003","100.425","0.003","92.84","0.003","1134.57","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 F4 N5 O2 S -","- C23 H18 F4 N5 O2 S -","- C46 H36 F8 N10 O4 S2 -","2","1","","Prashanth, Jupally; Voronin, Alexander P.; Surov, Artem O.; Balasubramanian, Sridhar","Design of pyrazine cocrystals of enzalutamide: a lead from 1,4-dioxane solvates","CrystEngComm","2024","26","28","3851","3866","10.1039/D4CE00566J","","","0.71073","MoKα","","0.0697","0.041","","","0.088","0.1007","","","","","","1.013","","","","has coordinates,has disorder","293787","2024-08-05","18:25:33",""
"7248832","11.6684","0.0009","12.5374","0.001","17.0985","0.0013","99.742","0.002","94.952","0.002","117.376","0.002","2150.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H34 F8 N9 O4 S2 -","- C44 H34 F8 N9 O4 S2 -","- C88 H68 F16 N18 O8 S4 -","2","1","","Prashanth, Jupally; Voronin, Alexander P.; Surov, Artem O.; Balasubramanian, Sridhar","Design of pyrazine cocrystals of enzalutamide: a lead from 1,4-dioxane solvates","CrystEngComm","2024","26","28","3851","3866","10.1039/D4CE00566J","","","0.71073","MoKα","","0.0504","0.0387","","","0.0924","0.0992","","","","","","1.017","","","","has coordinates,has disorder","293787","2024-08-05","18:25:33",""
"7248833","11.669","0.002","12.5","0.003","17.234","0.004","75.064","0.006","84.535","0.006","62.435","0.005","2152.3","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H36 F8 N8 O5 S2 -","- C44 H36 F8 N8 O5 S2 -","- C88 H72 F16 N16 O10 S4 -","2","1","","Prashanth, Jupally; Voronin, Alexander P.; Surov, Artem O.; Balasubramanian, Sridhar","Design of pyrazine cocrystals of enzalutamide: a lead from 1,4-dioxane solvates","CrystEngComm","2024","26","28","3851","3866","10.1039/D4CE00566J","","","0.71073","MoKα","","0.0884","0.047","","","0.1057","0.1291","","","","","","1.026","","","","has coordinates,has disorder","293787","2024-08-05","18:25:33",""
"7248834","16.8957","0.0007","16.0165","0.0007","16.5508","0.0007","90","","111.295","0.0017","90","","4173","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H21 N O13 S U -","- C14 H21 N O13 S U -","- C112 H168 N8 O104 S8 U8 -","8","1","","Atoini, Youssef; Harrowfield, Jack; Thuéry, Pierre","4-(Ammoniomethyl)benzoate, a protic zwitterionic bifunctional linker in uranyl ion carboxylate complexes","CrystEngComm","2024","26","27","3714","3725","10.1039/D4CE00381K","","","0.71073","MoKα","","0.0167","0.0153","","","0.0398","0.041","","","","","","1.07","","","","has coordinates","293798","2024-08-05","18:28:35",""
"7248835","8.4357","0.0004","10.8597","0.0005","10.93","0.0005","107.615","0.002","98.577","0.002","110.983","0.0019","852.93","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 N O8 U -","- C15 H19 N O8 U -","- C30 H38 N2 O16 U2 -","2","1","","Atoini, Youssef; Harrowfield, Jack; Thuéry, Pierre","4-(Ammoniomethyl)benzoate, a protic zwitterionic bifunctional linker in uranyl ion carboxylate complexes","CrystEngComm","2024","26","27","3714","3725","10.1039/D4CE00381K","","","0.71073","MoKα","","0.0144","0.0139","","","0.0341","0.0343","","","","","","1.106","","","","has coordinates","293798","2024-08-05","18:28:35",""
"7248836","8.9441","0.0004","15.7697","0.0008","18.0045","0.001","90","","102.834","0.002","90","","2476","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H28 N2 O9 U -","- C20 H28 N2 O9 U -","- C80 H112 N8 O36 U4 -","4","2","","Atoini, Youssef; Harrowfield, Jack; Thuéry, Pierre","4-(Ammoniomethyl)benzoate, a protic zwitterionic bifunctional linker in uranyl ion carboxylate complexes","CrystEngComm","2024","26","27","3714","3725","10.1039/D4CE00381K","","","0.71073","MoKα","","0.0332","0.0323","","","0.0704","0.0708","","","","","","1.165","","","","has coordinates","293798","2024-08-05","18:28:35",""
"7248837","11.5459","0.0008","7.6285","0.0005","23.9919","0.0018","90","","93.933","0.003","90","","2108.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O8 U -","- C20 H20 N2 O8 U -","- C80 H80 N8 O32 U4 -","4","1","","Atoini, Youssef; Harrowfield, Jack; Thuéry, Pierre","4-(Ammoniomethyl)benzoate, a protic zwitterionic bifunctional linker in uranyl ion carboxylate complexes","CrystEngComm","2024","26","27","3714","3725","10.1039/D4CE00381K","","","0.71073","MoKα","","0.0448","0.0436","","","0.0949","0.0953","","","","","","1.443","","","","has coordinates","293798","2024-08-05","18:28:35",""
"7248838","8.8256","0.0006","9.8335","0.0007","10.6502","0.0008","69.704","0.003","77.981","0.003","74.084","0.002","827.09","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N O8.5 U -","- C16 H14 N O8.5 U -","- C32 H28 N2 O17 U2 -","2","1","","Atoini, Youssef; Harrowfield, Jack; Thuéry, Pierre","4-(Ammoniomethyl)benzoate, a protic zwitterionic bifunctional linker in uranyl ion carboxylate complexes","CrystEngComm","2024","26","27","3714","3725","10.1039/D4CE00381K","","","0.71073","MoKα","","0.0299","0.0274","","","0.0658","0.0684","","","","","","1.154","","","","has coordinates","293798","2024-08-05","18:28:35",""
"7248839","13.397","0.0004","13.1905","0.0004","23.2768","0.0006","90","","90","","90","","4113.3","0.2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H18.5 N1.5 O10 U -","- C19 H18.5 N1.5 O10 U -","- C152 H148 N12 O80 U8 -","8","2","","Atoini, Youssef; Harrowfield, Jack; Thuéry, Pierre","4-(Ammoniomethyl)benzoate, a protic zwitterionic bifunctional linker in uranyl ion carboxylate complexes","CrystEngComm","2024","26","27","3714","3725","10.1039/D4CE00381K","","","0.71073","MoKα","","0.0255","0.0246","","","0.0601","0.0606","","","","","","1.066","","","","has coordinates,has disorder","293798","2024-08-05","18:28:35",""
"7248840","8.3349","0.0003","12.2484","0.0003","24.361","0.0008","90","","94.5772","0.0015","90","","2479.06","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H48 N4 O26 U4 -","- C40 H48 N4 O26 U4 -","- C80 H96 N8 O52 U8 -","2","0.5","","Atoini, Youssef; Harrowfield, Jack; Thuéry, Pierre","4-(Ammoniomethyl)benzoate, a protic zwitterionic bifunctional linker in uranyl ion carboxylate complexes","CrystEngComm","2024","26","27","3714","3725","10.1039/D4CE00381K","","","0.71073","MoKα","","0.0291","0.0275","","","0.0602","0.0607","","","","","","1.336","","","","has coordinates,has disorder","293798","2024-08-05","18:28:35",""
"7248841","21.5579","0.0005","21.5579","0.0005","21.5579","0.0005","90","","90","","90","","10018.9","0.4","299","2","299.15","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C96 H48 O67 Tb12 -","- C96 H48 O67 Tb12 -","- C192 H96 O134 Tb24 -","2","0.0104167","","Cao, Wenqian; Teng, Fangying; Cui, Yuanjing; Qian, Guodong","A lanthanide metal–organic framework containing a hydrazine group for highly sensitive luminescent sensing of formaldehyde gas","CrystEngComm","2024","26","28","3844","3850","10.1039/D4CE00406J","","","1.54178","CuKα","","0.0728","0.0693","","","0.1838","0.187","","","","","","1.071","","","","has coordinates","293786","2024-08-05","18:25:18",""
"7248842","9.522","0.0002","19.4852","0.0005","10.4691","0.0002","90","","103.704","0.001","90","","1887.12","0.07","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N11 O Zn -","- C18 H15 N11 O Zn -","- C72 H60 N44 O4 Zn4 -","4","1","","Wu, Jia-Xuan; Mo, Yi-Hong; Lin, Xian; Zhou, Bing-Xun; Cai, Song-Liang; Fan, Jun; Xie, Mu-Biao; Zheng, Sheng-Run","A luminescent Zn(ii) coordination polymer based on a new tetrazolyl–benzimidazolyl tripodal heterotopic ligand for detecting acetone and triethylamine in water","CrystEngComm","2024","26","27","3736","3743","10.1039/D4CE00445K","","","1.54178","CuKα","","0.0758","0.0723","","","0.1866","0.1926","","","","","","1.104","","","","has coordinates","293792","2024-08-05","18:26:35",""
"7248843","9.5474","0.0005","20.9047","0.001","12.6813","0.0008","90","","92.922","0.005","90","","2527.7","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H51 N2 O6 Pr -","- C62 H51 N2 O6 Pr -","- C124 H102 N4 O12 Pr2 -","2","1","","Peng, Yanhong; Wang, Taoyu; Gao, Congli; Li, Fengcai; Li, Xi-Li","Two chiral lanthanide PrIII and HoIII complexes: NIR luminescence and nonlinear optical properties","CrystEngComm","2024","26","28","3867","3873","10.1039/D4CE00421C","","","0.71073","MoKα","","0.0384","0.0284","","","0.0312","0.0319","","","","","","0.894","","","","has coordinates","293790","2024-08-05","18:26:10",""
"7248844","9.5036","0.0004","20.7058","0.0008","12.7856","0.0009","90","","92.003","0.005","90","","2514.4","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H51 Ho N2 O6 -","- C62 H51 Ho N2 O6 -","- C124 H102 Ho2 N4 O12 -","2","1","","Peng, Yanhong; Wang, Taoyu; Gao, Congli; Li, Fengcai; Li, Xi-Li","Two chiral lanthanide PrIII and HoIII complexes: NIR luminescence and nonlinear optical properties","CrystEngComm","2024","26","28","3867","3873","10.1039/D4CE00421C","","","0.71073","MoKα","","0.0376","0.0288","","","0.0432","0.044","","","","","","1.024","","","","has coordinates","293790","2024-08-05","18:26:11",""
"7248845","7.5146","0.0003","10.6915","0.0005","12.0434","0.0005","103.512","0.002","103.72","0.002","106.57","0.002","852.48","0.07","105","","105","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H20 Cl4 F6 N4 Ni S2 -","- C32 H20 Cl4 F6 N4 Ni S2 -","- C32 H20 Cl4 F6 N4 Ni S2 -","1","0.5","","Streit, Tim-Niclas; Langwald, Jan; Gomila, Rosa M.; Frontera, Antonio; Malischewski, Moritz","Structural diversity of supramolecular networks formed between polycyanometalates and sulfur-based chalcogen bond donors","CrystEngComm","2024","26","27","3627","3633","10.1039/D4CE00454J","","","0.71073","MoKα","","0.0336","0.0276","","","0.0637","0.0655","","","","","","1.0287","","","","has coordinates","293795","2024-08-05","18:27:19",""
"7248846","9.2339","0.0004","13.5275","0.0007","14.9019","0.0008","105.866","0.002","107.532","0.002","94.354","0.002","1681.72","0.15","105","","105","","","","","","","","","8","P -1","-P 1","2","","TNS ZnCN4","","- C31 H20 Cl2 F6 N4 O S2 Zn -","- C31 H20 Cl2 F6 N4 O S2 Zn -","- C62 H40 Cl4 F12 N8 O2 S4 Zn2 -","2","1","","Streit, Tim-Niclas; Langwald, Jan; Gomila, Rosa M.; Frontera, Antonio; Malischewski, Moritz","Structural diversity of supramolecular networks formed between polycyanometalates and sulfur-based chalcogen bond donors","CrystEngComm","2024","26","27","3627","3633","10.1039/D4CE00454J","","","0.71073","MoKα","","0.0669","0.0431","","","0.0827","0.0936","","","","","","1.02","","","","has coordinates","293795","2024-08-05","18:27:21",""
"7248847","10.201","0.0005","11.0689","0.0011","11.4836","0.0012","115.214","0.002","97.954","0.002","104.048","0.002","1094","0.17","105","","105","","","","","","","","","7","P 1","P 1","1","","JL-005c","","- C46 H26 Cl2 F9 Fe N6 S3 -","- C46 H26 Cl2 F9 Fe N6 S3 -","- C46 H26 Cl2 F9 Fe N6 S3 -","1","1","","Streit, Tim-Niclas; Langwald, Jan; Gomila, Rosa M.; Frontera, Antonio; Malischewski, Moritz","Structural diversity of supramolecular networks formed between polycyanometalates and sulfur-based chalcogen bond donors","CrystEngComm","2024","26","27","3627","3633","10.1039/D4CE00454J","","","0.71073","MoKα","","0.0404","0.0316","","","0.0669","0.071","","","","","","1.037","","","","has coordinates","293795","2024-08-05","18:27:21",""
"7248848","38.63","0.005","14.822","0.002","18.028","0.002","90","","101.077","0.004","90","","10130","2","105","","105","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47 H24 F9 N8 S3 W -","- C47 H24 F9 N8 S3 W -","- C376 H192 F72 N64 S24 W8 -","8","1","","Streit, Tim-Niclas; Langwald, Jan; Gomila, Rosa M.; Frontera, Antonio; Malischewski, Moritz","Structural diversity of supramolecular networks formed between polycyanometalates and sulfur-based chalcogen bond donors","CrystEngComm","2024","26","27","3627","3633","10.1039/D4CE00454J","","","0.71073","MoKα","","0.0396","0.027","","","0.0613","0.0652","","","","","","1.04","","","","has coordinates","293795","2024-08-05","18:27:21",""
"7248849","11.9361","0.00009","16.71476","0.00012","20.98996","0.00014","90","","90","","90","","4187.69","0.05","100","0.1","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","6'-(Diethylamino)-1',2'-benzofluoran","9-(diethylamino)spiro[12H-benzo[a]xanthene-12,1'(3'H)-isobenzofuran]-3'-one","","- C28 H23 N O3 -","- C28 H23 N O3 -","- C224 H184 N8 O24 -","8","1","","Pawłów, J; Wilk-Kozubek, M; Czajkowski, M.; Zdończyk, M; Cybińska, J","Innovative use of liquid crystalline acids as color developers in leuco dye-based temperature sensors.","RSC advances","2024","14","26","18663","18670","10.1039/d4ra01867b","","","1.54184","CuKα","","0.0348","0.0346","","","0.0844","0.0846","","","","","","1.041","","","","has coordinates","292340","2024-06-13","01:30:07",""
"7248850","13.485","0.0018","11.0322","0.0014","21.808","0.003","90","","104.878","0.004","90","","3135.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H31 N3 O3 -","- C40 H31 N3 O3 -","- C160 H124 N12 O12 -","4","1","","Arumugam, Natarajan; Darshan V. M., Datta; Venketesh, Vishal; Pradhan, Sai Sanwid; Garg, Anuj; Sivaramakrishnan, Venketesh; Kanchi, Subbarao; Mahalingam, Sakkarapalayam M.","Synthesis, computational docking and molecular dynamics studies of a new class of spiroquinoxalinopyrrolidine embedded chromanone hybrids as potent anti-cholinesterase agents","RSC Advances","2024","14","26","18815","18831","10.1039/D4RA02432J","","","0.71073","MoKα","","0.1739","0.0909","","","0.164","0.1948","","","","","","1.129","","","","has coordinates","292341","2024-06-13","01:30:35",""
"7248851","10.2438","0.0001","19.806","0.0002","35.2267","0.0003","90","","94.35","0.001","90","","7126.51","0.12","119.99","0.1","119.99","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","EKR126","","- C53 H42 Cr N O12 S32 -","- C53 H42 Cr N O12 S32 -","- C212 H168 Cr4 N4 O48 S128 -","4","0.5","","Blundell, Toby J.; Ogar, Joseph O.; Brannan, Michael J.; Rusbridge, Elizabeth K.; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku; Martin, Lee","BEDT-TTF radical-cation salts with tris(oxalato)chromate and guest additives.","RSC advances","2024","14","26","18444","18452","10.1039/d4ra03425b","","x-ray","1.54184","CuKα","","0.0885","0.0877","","","0.1834","0.1838","","","","","","1.204","","","","has coordinates,has disorder","292342","2024-06-13","01:31:05",""
"7248852","10.327","0.0002","19.9211","0.0004","35.3072","0.0007","90","","93.139","0.007","90","","7252.7","0.3","298","","298.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H40 Cr O14 S32 -","- C52 H40 Cr O14 S32 -","- C208 H160 Cr4 O56 S128 -","4","0.5","","Blundell, Toby J.; Ogar, Joseph O.; Brannan, Michael J.; Rusbridge, Elizabeth K.; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku; Martin, Lee","BEDT-TTF radical-cation salts with tris(oxalato)chromate and guest additives.","RSC advances","2024","14","26","18444","18452","10.1039/d4ra03425b","","","0.71075","MoKα","","0.0457","0.0391","","","0.105","0.1097","","","","","","1.04","","","","has coordinates,has disorder","292342","2024-06-13","01:31:06",""
"7248853","10.3201","0.0011","19.97","0.003","35.467","0.004","90","","92.995","0.007","90","","7299.5","1.6","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H39 Cr O15 S32 -","- C46 H35 Cr O13 S32 -","- C184 H140 Cr4 O52 S128 -","4","0.5","","Blundell, Toby J.; Ogar, Joseph O.; Brannan, Michael J.; Rusbridge, Elizabeth K.; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku; Martin, Lee","BEDT-TTF radical-cation salts with tris(oxalato)chromate and guest additives.","RSC advances","2024","14","26","18444","18452","10.1039/d4ra03425b","","","0.71075","MoKα","","0.2843","0.2301","","","0.5352","0.5535","","","","","","3.33","","","","has coordinates","292342","2024-06-13","01:31:06",""
"7248854","6.5405","0.0004","10.9927","0.0006","14.465","0.0008","68.977","0.002","81.458","0.002","76.809","0.002","942.61","0.09","200","","200","","","","","","","","","6","P -1","-P 1","2","","Pr(hpo)(mpo)2(H2O)2","","- C15 H16 N3 O6 Pr S2 -","- C15 H16 N3 O6 Pr S2 -","- C30 H32 N6 O12 Pr2 S4 -","2","1","","Zhu, Qiuyin; Hsu, Wayne; Wang, Shenglong; Lin, Fenglong; Wu, Yincai; Fang, Yimin; Chen, Jinglin; Song, Lijun","Synthesis, antimicrobial activity and application of polymers of praseodymium complexes based on pyridine nitrogen oxide.","RSC advances","2024","14","26","18519","18527","10.1039/d4ra03003f","","","0.71073","MoKα","","0.0387","0.0305","","","0.0665","0.0724","","","","","","1.097","","","","has coordinates","292343","2024-06-13","01:31:37",""
"7248855","8.4728","0.0005","9.7873","0.0005","13.7277","0.0008","92.265","0.002","107.891","0.002","92.928","0.002","1080.09","0.11","200","2","200","","","","","","","","","6","P -1","-P 1","2","","Pr2(mpo)6(H2O)2","","- C30 H40 N6 O14 Pr2 S6 -","- C30 H40 N6 O14 Pr2 S6 -","- C30 H40 N6 O14 Pr2 S6 -","1","0.5","","Zhu, Qiuyin; Hsu, Wayne; Wang, Shenglong; Lin, Fenglong; Wu, Yincai; Fang, Yimin; Chen, Jinglin; Song, Lijun","Synthesis, antimicrobial activity and application of polymers of praseodymium complexes based on pyridine nitrogen oxide.","RSC advances","2024","14","26","18519","18527","10.1039/d4ra03003f","","","0.71073","MoKα","","0.0371","0.0371","","","0.0941","0.0942","","","","","","1.077","","","","has coordinates","292343","2024-06-13","01:31:37",""
"7248856","11.3667","0.0003","7.8133","0.0002","14.3984","0.0004","90","","105.313","0.001","90","","1233.34","0.06","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H22 Br F3 N2 O3 -","- C27 H24 Br F3 N2 O3 -","- C54 H48 Br2 F6 N4 O6 -","2","1","","Pu, Yiru; Wang, Maolin; Tian, Wanrong; Ge, Xian; Zhu, Dikai; Wang, Chuanqi; Zeng, Yingjie; Tao, Feiyan; Deng, Yun; Lu, Jun","N-heterocyclic carbene catalyzed [2 + 3] annulation reaction for the synthesis of trifluoroethyl 3,2'-spirooxindole γ-lactam.","RSC advances","2024","14","26","18453","18458","10.1039/d4ra02252a","","","1.54178","CuKα","","0.0367","0.0346","","","0.1131","0.1171","","","","","","0.982","","","","has coordinates","292344","2024-06-13","01:31:54",""
"7248857","10.2357","0.0004","12.1215","0.0005","14.9718","0.0006","76.079","0.002","80.501","0.002","79.118","0.002","1756.6","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Polymeric Cu-complex","","- C58 H88 Cu3 I2 N16 O10 -","- C58 H88 Cu3 I2 N16 O10 -","- C58 H88 Cu3 I2 N16 O10 -","1","0.5","","Bhuyan, Amar Jyoti; Nath, Partha Pratim; Bharali, Sourav Jyoti; Saikia, Lakhinath","A novel μ<sub>3</sub>-CO<sub>3</sub> bridged linear polymeric Cu-complex ([Cu<sub>3</sub>(DMAP)<sub>8</sub>(μ<sub>3</sub>-CO<sub>3</sub>)<sub>2</sub>]I<sub>2</sub>) <sub><i>n</i></sub> ·<i>x</i>H<sub>2</sub>O: synthesis, characterization and catalytic applications in the synthesis of phenoxypyrimidines and arylthiopyrimidines <i>via</i> C-O and C-S cross-coupling reactions.","RSC advances","2024","14","26","18478","18488","10.1039/d4ra00001c","","","0.71073","MoKα","","0.0731","0.0453","","","0.111","0.1251","","","","","","1.009","","","","has coordinates","292345","2024-06-13","01:32:08",""
"7248858","8.8506","0.0005","9.2538","0.0005","14.0175","0.0008","74.262","0.005","72.168","0.005","88.125","0.004","1050.34","0.11","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 Mo8 N6 O29 -","- C28 H24 Mo8 N6 O29 -","- C28 H24 Mo8 N6 O29 -","1","0.5","","Pisk, Jana; Vrdoljak, Višnja; Mandarić, Mirna; Hrenar, Tomica; Agustin, Dominique; Rubčić, Mirta","Impact of POM's coordination mode and Mo-hybrid constituents on the binding, stability, and catalytic properties of hybrid (pre)catalysts","RSC Advances","2024","14","27","19029","19040","10.1039/D4RA03563A","","x-ray","1.54184","CuKα","","0.0844","0.0829","","","0.2175","0.2197","","","","","","1.128","","","","has coordinates","292382","2024-06-14","01:08:32",""
"7248859","10.067","0.0006","10.0808","0.0006","11.2764","0.0007","90.46","0.005","92.74","0.005","108.443","0.005","1084.03","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(u6-oxo)-tetradecakis(u2-oxo)-octaoxo-bis(N-(2-oxy-3-(methoxy)benzylidene)nicotinylhydrazonato)-octa-molybdenum","","- C28 H24 Mo8 N6 O29 -","- C28 H24 Mo8 N6 O29 -","- C28 H24 Mo8 N6 O29 -","1","0.5","","Pisk, Jana; Vrdoljak, Višnja; Mandarić, Mirna; Hrenar, Tomica; Agustin, Dominique; Rubčić, Mirta","Impact of POM's coordination mode and Mo-hybrid constituents on the binding, stability, and catalytic properties of hybrid (pre)catalysts","RSC Advances","2024","14","27","19029","19040","10.1039/D4RA03563A","","x-ray","0.71073","MoKα","","0.1312","0.0598","","","0.0615","0.0737","","","","","","0.934","","","","has coordinates","292382","2024-06-14","01:08:33",""
"7248860","10.0231","0.0001","10.7273","0.0003","12.9277","0.0003","73.422","0.002","72.752","0.002","66.204","0.002","1192.6","0.05","169.99","0.1","169.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 Mo8 N8 O29 -","- C32 H30 Mo8 N8 O29 -","- C32 H30 Mo8 N8 O29 -","1","0.5","","Pisk, Jana; Vrdoljak, Višnja; Mandarić, Mirna; Hrenar, Tomica; Agustin, Dominique; Rubčić, Mirta","Impact of POM's coordination mode and Mo-hybrid constituents on the binding, stability, and catalytic properties of hybrid (pre)catalysts","RSC Advances","2024","14","27","19029","19040","10.1039/D4RA03563A","","x-ray","1.54184","CuKα","","0.0386","0.036","","","0.0942","0.0968","","","","","","1.047","","","","has coordinates","292382","2024-06-14","01:08:33",""
"7248861","8.9721","0.0003","10.7368","0.0002","16.4964","0.0004","104.858","0.002","104.62","0.002","94.02","0.002","1470.73","0.07","169.99","","169.99","","","","","","","","","5","P -1","-P 1","2","","[N'-(2-oxo-3-methoxybenzylidene)nicotinoylhydrazonium](acetone)dioxomolybdenum(vi) hexamolybdate acetone solvate","","- C40 H48 Mo8 N6 O33 -","- C40 H48 Mo8 N6 O33 -","- C40 H48 Mo8 N6 O33 -","1","0.5","","Pisk, Jana; Vrdoljak, Višnja; Mandarić, Mirna; Hrenar, Tomica; Agustin, Dominique; Rubčić, Mirta","Impact of POM's coordination mode and Mo-hybrid constituents on the binding, stability, and catalytic properties of hybrid (pre)catalysts","RSC Advances","2024","14","27","19029","19040","10.1039/D4RA03563A","","x-ray","1.54184","CuKα","","0.0477","0.0453","","","0.1229","0.1252","","","","","","1.069","","","","has coordinates,has disorder","292382","2024-06-14","01:08:33",""
"7248862","10.1475","0.0004","10.3331","0.0005","14.6331","0.0005","108.527","0.004","92.219","0.003","110.565","0.004","1342.45","0.11","150","2","150","","","","","","","","","5","P -1","-P 1","2","","bis((aquo)-dioxo-(N-(2-oxy-3-methoxybenzylidene)nicotinylhydrazonato)-molybdenum(vi)) hexamolybdate acetone solvate","","- C34 H40 Mo8 N6 O33 -","- C34 H40 Mo8 N6 O33 -","- C34 H40 Mo8 N6 O33 -","1","0.5","","Pisk, Jana; Vrdoljak, Višnja; Mandarić, Mirna; Hrenar, Tomica; Agustin, Dominique; Rubčić, Mirta","Impact of POM's coordination mode and Mo-hybrid constituents on the binding, stability, and catalytic properties of hybrid (pre)catalysts","RSC Advances","2024","14","27","19029","19040","10.1039/D4RA03563A","","","0.71073","MoKα","","0.1054","0.0517","","","0.0789","0.0898","","","","","","0.962","","","","has coordinates","292382","2024-06-14","01:08:34",""
"7248863","10.6083","0.0008","10.7813","0.0006","12.8485","0.0006","106.66","0.005","106.352","0.006","99.224","0.005","1303.62","0.16","169.99","0.1","169.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H40 Mo8 N6 O33 -","- C34 H40 Mo8 N6 O33 -","- C34 H40 Mo8 N6 O33 -","1","0.5","","Pisk, Jana; Vrdoljak, Višnja; Mandarić, Mirna; Hrenar, Tomica; Agustin, Dominique; Rubčić, Mirta","Impact of POM's coordination mode and Mo-hybrid constituents on the binding, stability, and catalytic properties of hybrid (pre)catalysts","RSC Advances","2024","14","27","19029","19040","10.1039/D4RA03563A","","x-ray","1.54184","CuKα","","0.0673","0.0634","","","0.1747","0.182","","","","","","1.05","","","","has coordinates","292382","2024-06-14","01:08:34",""
"7248864","8.8403","0.0002","9.1695","0.0002","14.0494","0.0003","106.381","0.002","105.966","0.002","93.753","0.002","1037.78","0.04","169.99","0.1","169.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 Mo8 N6 O29 -","- C28 H24 Mo8 N6 O29 -","- C28 H24 Mo8 N6 O29 -","1","0.5","","Pisk, Jana; Vrdoljak, Višnja; Mandarić, Mirna; Hrenar, Tomica; Agustin, Dominique; Rubčić, Mirta","Impact of POM's coordination mode and Mo-hybrid constituents on the binding, stability, and catalytic properties of hybrid (pre)catalysts","RSC Advances","2024","14","27","19029","19040","10.1039/D4RA03563A","","x-ray","1.54184","CuKα","","0.0818","0.0802","","","0.1975","0.2002","","","","","","1.172","","","","has coordinates","292382","2024-06-14","01:08:34",""
"7248865","11.2569","0.0003","9.2706","0.0002","21.2974","0.0005","90","","103.717","0.002","90","","2159.17","0.09","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis((aquo)-dioxo-(N-(2-oxy-3-methoxybenzylidene)nicotinylhydrazonato)-molybdenum(vi)) hexamolybdate","","- C56 H56 Mo16 N12 O62 -","- C56 H56 Mo16 N12 O62 -","- C56 H56 Mo16 N12 O62 -","1","0.25","","Pisk, Jana; Vrdoljak, Višnja; Mandarić, Mirna; Hrenar, Tomica; Agustin, Dominique; Rubčić, Mirta","Impact of POM's coordination mode and Mo-hybrid constituents on the binding, stability, and catalytic properties of hybrid (pre)catalysts","RSC Advances","2024","14","27","19029","19040","10.1039/D4RA03563A","","","0.71073","MoKα","","0.05","0.0347","","","0.0709","0.0793","","","","","","1.06","","","","has coordinates","292382","2024-06-14","01:08:34",""
"7248866","10.8391","0.0001","17.0475","0.0001","18.7075","0.0001","88.584","0.001","84.114","0.001","88.515","0.001","3436.54","0.04","170.15","","170.15","","","","","","","","","5","P -1","-P 1","2","","[(?2-oxo)[4-methoxy-2-oxidophenyl)methylidene]pyridin-1-ium-4-carbohydrazone-O,O',N)oxomolybdenum(VI)] {bis-[(?2-oxo)((4-methoxy-2-oxidophenyl)methylidene)pyridin-1-ium-4-carbohydrazidato-O,O',N)oxomolybdenum(VI)] dodecakis(?-oxido)-tetradecaoxooctamolybdenum(VI)}","","- C46 H42 Mo11 N11 O42 -","- C46 H42 Mo11 N11 O42 -","- C92 H84 Mo22 N22 O84 -","2","1","","Pisk, Jana; Vrdoljak, Višnja; Mandarić, Mirna; Hrenar, Tomica; Agustin, Dominique; Rubčić, Mirta","Impact of POM's coordination mode and Mo-hybrid constituents on the binding, stability, and catalytic properties of hybrid (pre)catalysts","RSC Advances","2024","14","27","19029","19040","10.1039/D4RA03563A","","","1.54184","CuKα","","0.0436","0.0389","","","0.1029","0.1058","","","","","","1.082","","","","has coordinates,has disorder","292382","2024-06-14","01:08:34",""
"7248867","7.0554","0.0004","7.0554","0.0004","5.3478","0.0003","90","","90","","120","","230.54","0.02","298","","298","","","","","","","","","5","P -6 m 2","P -6 2","187","","dabcoHBr0.19I0.81","","- C6 H13 Br0.19 I0.81 N2 -","- C6 H13 Br0.19 I0.81 N2 -","- C6 H13 Br0.19 I0.81 N2 -","1","0.0833333","","Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains","CrystEngComm","2024","26","26","3468","3474","10.1039/D4CE00310A","","x-ray","0.71073","MoKα","","0.0141","0.0141","","","0.0353","0.0353","","","","","","1.097","","","","has coordinates,has disorder","292951","2024-07-05","15:22:23",""
"7248868","6.9445","0.0009","6.9445","0.0009","5.3334","0.0005","90","","90","","120","","222.75","0.05","298","","298","","","","","","","","","5","P -6 m 2","P -6 2","187","","dabcoHBr0.27I0.73","","- C6 H13 Br0.27 I0.73 N2 -","- C6 H13 Br0.27 I0.73 N2 -","- C6 H13 Br0.27 I0.73 N2 -","1","0.0833333","","Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains","CrystEngComm","2024","26","26","3468","3474","10.1039/D4CE00310A","","x-ray","0.71073","MoKα","","0.0263","0.0263","","","0.0667","0.0667","","","","","","1.081","","","","has coordinates,has disorder","292951","2024-07-05","15:22:23",""
"7248869","6.8337","0.0005","6.8337","0.0005","5.3349","0.0003","90","","90","","120","","215.76","0.03","298","","298","","","","","","","","","5","P -6 m 2","P -6 2","187","","dabcoHBr0.64I0.36","","- C6 H13 Br0.64 I0.36 N2 -","- C6 H13 Br0.64 I0.36 N2 -","- C6 H13 Br0.64 I0.36 N2 -","1","0.0833333","","Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains","CrystEngComm","2024","26","26","3468","3474","10.1039/D4CE00310A","","x-ray","0.71073","MoKα","","0.0533","0.0525","","","0.1272","0.1275","","","","","","1.077","","","","has coordinates,has disorder","292951","2024-07-05","15:22:23",""
"7248870","6.8015","0.0006","6.8015","0.0006","5.3298","0.0004","90","","90","","120","","213.53","0.03","298","","298","","","","","","","","","5","P -6 m 2","P -6 2","187","","dabcoHBr0.74I0.26","","- C6 H13 Br0.74 I0.26 N2 -","- C6 H13 Br0.74 I0.26 N2 -","- C6 H13 Br0.74 I0.26 N2 -","1","0.0833333","","Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains","CrystEngComm","2024","26","26","3468","3474","10.1039/D4CE00310A","","x-ray","0.71073","MoKα","","0.0436","0.0436","","","0.1136","0.1136","","","","","","1.206","","","","has coordinates,has disorder","292951","2024-07-05","15:22:23",""
"7248871","6.7014","0.0005","6.7014","0.0005","5.3164","0.0003","90","","90","","120","","206.77","0.02","112","","112","","","","","","","","","5","P -6 m 2","P -6 2","187","","dabcoHBr0.80I0.20_112K","","- C6 H13 Br0.8 I0.2 N2 -","- C6 H13 Br0.8 I0.2 N2 -","- C6 H13 Br0.8 I0.2 N2 -","1","0.0833333","","Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains","CrystEngComm","2024","26","26","3468","3474","10.1039/D4CE00310A","","x-ray","0.71073","MoKα","","0.0313","0.0313","","","0.0715","0.0715","","","","","","1.141","","","","has coordinates,has disorder","292951","2024-07-05","15:22:23",""
"7248872","6.6645","0.0005","6.6645","0.0005","5.3238","0.0004","90","","90","","120","","204.78","0.03","298","","298","","","","","","","","","5","P -6 m 2","P -6 2","187","","dabcoHCl0.03Br0.97","","- C6 H13 Br0.97 Cl0.03 N2 -","- C6 H13 Br0.97 Cl0.03 N2 -","- C6 H13 Br0.97 Cl0.03 N2 -","1","0.0833333","","Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains","CrystEngComm","2024","26","26","3468","3474","10.1039/D4CE00310A","","x-ray","0.71073","MoKα","","0.0351","0.0333","","","0.0842","0.0846","","","","","","1.161","","","","has coordinates,has disorder","292951","2024-07-05","15:22:23",""
"7248873","6.7541","0.0006","6.7541","0.0006","5.3383","0.0004","90","","90","","120","","210.9","0.03","298","","298","","","","","","","","","5","P -6 m 2","P -6 2","187","","dabcoHBr0.80I0.20","","- C6 H13 Br0.8 I0.2 N2 -","- C6 H13 Br0.8 I0.2 N2 -","- C6 H13 Br0.8 I0.2 N2 -","1","0.0833333","","Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains","CrystEngComm","2024","26","26","3468","3474","10.1039/D4CE00310A","","x-ray","0.71073","MoKα","","0.0394","0.0389","","","0.093","0.0933","","","","","","1.114","","","","has coordinates,has disorder","292951","2024-07-05","15:22:23",""
"7248874","6.6793","0.0006","6.6793","0.0006","5.3178","0.0005","90","","90","","120","","205.46","0.03","298","","298","","","","","","","","","5","P -6 m 2","P -6 2","187","","dabcoHBr0.95I0.05","","- C6 H13 Br0.95 I0.05 N2 -","- C6 H13 Br0.95 I0.05 N2 -","- C6 H13 Br0.95 I0.05 N2 -","1","0.0833333","","Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains","CrystEngComm","2024","26","26","3468","3474","10.1039/D4CE00310A","","x-ray","0.71073","MoKα","","0.0327","0.0314","","","0.0717","0.0723","","","","","","1.08","","","","has coordinates,has disorder","292951","2024-07-05","15:22:23",""
"7248875","6.6949","0.0004","6.6949","0.0004","5.3265","0.0004","90","","90","","120","","206.76","0.02","298","","298","","","","","","","","","5","P -6 m 2","P -6 2","187","","dabcoHBr0.90I0.10","","- C6 H13 Br0.9 I0.1 N2 -","- C6 H13 Br0.9 I0.1 N2 -","- C6 H13 Br0.9 I0.1 N2 -","1","0.0833333","","Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains","CrystEngComm","2024","26","26","3468","3474","10.1039/D4CE00310A","","x-ray","0.71073","MoKα","","0.0155","0.0155","","","0.0427","0.0427","","","","","","1.24","","","","has coordinates,has disorder","292951","2024-07-05","15:22:23",""
"7248876","19.924","0.008","4.4267","0.0018","20.419","0.008","90","","113.293","0.009","90","","1654.1","1.2","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 F4 I2 N4 O2 -","- C13 H8 F4 I2 N4 O2 -","- C52 H32 F16 I8 N16 O8 -","4","1","","Benito, Mónica; Núñez, Rosario; Sinha, Sohini; Roscini, Claudio; Hidalgo-Rosa, Yoan; Schott, Eduardo; Zarate, Ximena; Molins, Elies","Methylxanthines for halogen bonded cocrystals with 1,4-diiodotetrafluorobenzene: green synthesis, structure, photophysics and DFT studies","CrystEngComm","2024","26","27","3672","3686","10.1039/D4CE00138A","","x-ray","0.71073","MoKα","","0.0453","0.0306","","","0.0676","0.0748","","","","","","1.021","","","","has coordinates","293799","2024-08-05","18:28:47",""
"7248877","4.0269","0.0018","7.451","0.003","20.66","0.009","82.022","0.008","88.669","0.008","80.671","0.009","605.8","0.5","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 F4 I2 N8 O4 -","- C20 H16 F4 I2 N8 O4 -","- C20 H16 F4 I2 N8 O4 -","1","0.5","","Benito, Mónica; Núñez, Rosario; Sinha, Sohini; Roscini, Claudio; Hidalgo-Rosa, Yoan; Schott, Eduardo; Zarate, Ximena; Molins, Elies","Methylxanthines for halogen bonded cocrystals with 1,4-diiodotetrafluorobenzene: green synthesis, structure, photophysics and DFT studies","CrystEngComm","2024","26","27","3672","3686","10.1039/D4CE00138A","","x-ray","0.71073","MoKα","","0.085","0.0529","","","0.1238","0.141","","","","","","1.008","","","","has coordinates","293799","2024-08-05","18:28:48",""
"7248878","21.904","0.018","4.044","0.004","25.87","0.02","90","","110.9","0.02","90","","2141","3","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 F2 I N8 O4 -","- C19 H20 F2 I N8 O4 -","- C76 H80 F8 I4 N32 O16 -","4","1","","Benito, Mónica; Núñez, Rosario; Sinha, Sohini; Roscini, Claudio; Hidalgo-Rosa, Yoan; Schott, Eduardo; Zarate, Ximena; Molins, Elies","Methylxanthines for halogen bonded cocrystals with 1,4-diiodotetrafluorobenzene: green synthesis, structure, photophysics and DFT studies","CrystEngComm","2024","26","27","3672","3686","10.1039/D4CE00138A","","","0.71073","MoKα","","0.1566","0.0715","","","0.1398","0.1686","","","","","","0.97","","","","has coordinates","293799","2024-08-05","18:28:48",""
"7248879","13.7978","0.0007","14.4468","0.0008","16.7912","0.0009","77.112","0.002","80.384","0.002","67.4","0.002","2999.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64.85 H54.65 N6.95 O16.95 Zn2 -","- C65.135 H55.315 N7.045 O17.045 Zn2 -","- C130.27 H110.63 N14.09 O34.09 Zn4 -","2","1","","Mbonzhe, Luccile; Mushango, Lufuno; Chatterjee, Nabanita; Loots, Leigh; Oliver, Clive L.; Batisai, Eustina","Three-dimensional metal–organic frameworks (MOFs) containing substituted diimide ligands: synthesis, structures and gas sorption studies","CrystEngComm","2024","26","27","3665","3671","10.1039/D4CE00332B","","","0.71073","MoKα","","0.0856","0.0541","","","0.1382","0.1609","","","","","","1.068","","","","has coordinates,has disorder","293797","2024-08-05","18:27:48",""
"7248880","48.175","0.003","21.8096","0.0012","16.2927","0.001","90","","101.066","0.002","90","","16800.1","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65 H58 Co3 N8 O21 -","- C65 H58 Co3 N8 O21 -","- C520 H464 Co24 N64 O168 -","8","1","","Mbonzhe, Luccile; Mushango, Lufuno; Chatterjee, Nabanita; Loots, Leigh; Oliver, Clive L.; Batisai, Eustina","Three-dimensional metal–organic frameworks (MOFs) containing substituted diimide ligands: synthesis, structures and gas sorption studies","CrystEngComm","2024","26","27","3665","3671","10.1039/D4CE00332B","","","0.71073","MoKα","","0.1042","0.0788","","","0.2487","0.2768","","","","","","1.065","","","","has coordinates","293797","2024-08-05","18:27:49",""
"7248881","6.98","0.0014","9.04","0.0018","10.34","0.002","83.62","0.03","81.85","0.03","77.85","0.03","629.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 N2 O4 P -","- C12 H13 N2 O4 P -","- C24 H26 N4 O8 P2 -","2","1","","Ward, Jas S.; Kruger, Paul E.","A pentametallic Co5L4 architecture constructed from bis-substituted phosphate-based ligands","CrystEngComm","2024","26","26","3459","3462","10.1039/D4CE00468J","","","0.71073","Synchrotron","","0.0453","0.0399","","","0.1037","0.1072","","","","","","1.055","","","","has coordinates","292949","2024-07-05","15:21:56",""
"7248882","12.803","0.003","16.333","0.003","14.884","0.003","90","","112.62","0.03","90","","2873","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 B Co F4 N8 O4 -","- C28 H22 B Co F4 N8 O4 -","- C112 H88 B4 Co4 F16 N32 O16 -","4","1","","Ward, Jas S.; Kruger, Paul E.","A pentametallic Co5L4 architecture constructed from bis-substituted phosphate-based ligands","CrystEngComm","2024","26","26","3459","3462","10.1039/D4CE00468J","","","0.71073","Synchrotron","","0.0787","0.055","","","0.1382","0.1538","","","","","","1.02","","","","has coordinates","292949","2024-07-05","15:21:56",""
"7248883","20.379","0.004","20.997","0.004","20.579","0.004","90","","92.08","0.03","90","","8800","3","100","2","100","2","","","","","","","","8","I 1 2 1","I 2y","5","","","","- C154 H138 B6 Co5 F24 N24 O16 P4 -","- C154 H138 B6 Co5 F24 N24 O16 P4 -","- C308 H276 B12 Co10 F48 N48 O32 P8 -","2","0.5","","Ward, Jas S.; Kruger, Paul E.","A pentametallic Co5L4 architecture constructed from bis-substituted phosphate-based ligands","CrystEngComm","2024","26","26","3459","3462","10.1039/D4CE00468J","","","0.71073","Synchrotron","","0.0652","0.0613","","","0.1604","0.1645","","","","","","1.027","","","","has coordinates,has disorder","292949","2024-07-05","15:21:57",""
"7248884","12.371","0.008","13.385","0.007","17.69","0.002","93.64","0.01","105.06","0.02","91.16","0.01","2821","2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H64 Cl2 N10 O13 -","- C53 H64 Cl2 N10 O13 -","- C106 H128 Cl4 N20 O26 -","2","1","","Kar, Ananya; Giri, Lopamudra; Kenguva, Gowtham; Rout, Smruti Rekha; Dandela, Rambabu","Polymorphism, phase transition, and physicochemical property investigation of Ensifentrine","CrystEngComm","2024","26","28","3783","3790","10.1039/D4CE00410H","","","0.71073","MoKα","","0.1833","0.0751","","","0.1888","0.2536","","","","","","1.11","","","","has coordinates","293788","2024-08-05","18:25:43",""
"7248885","13.7061","0.0005","35.5623","0.0012","9.8813","0.0003","90","","106.416","0.004","90","","4620","0.3","180","0.1","180","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H63 F6 N8 O4 P -","- C42 H63 F6 N8 O4 P -","- C168 H252 F24 N32 O16 P4 -","4","1","","Munteanu, Tatiana; Longevial, Jean-François; Canard, Gabriel; Jacquemin, Denis; Pascal, Simon; Siri, Olivier","Post-functionalization of triamino-phenazinium dyes to reach near-infrared emission","RSC Advances","2024","14","27","19257","19263","10.1039/D4RA03245D","","x-ray","1.54184","CuKα","","0.1501","0.1313","","","0.2814","0.2901","","","","","","1.124","","","","has coordinates,has disorder","292438","2024-06-18","01:17:10",""
"7248886","9.7228","0.0003","15.2917","0.0005","19.0023","0.0005","90","","90","","90","","2825.23","0.15","193","","193","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H31 N2 O3 P -","- C33 H31 N2 O3 P -","- C132 H124 N8 O12 P4 -","4","1","","Xia, Xuying; Zheng, Changdi; Hang, Yunfei; Guo, Jiyuan; Liu, Tao; Song, Dingguo; Chen, Zhiwei; Zhong, Weihui; Ling, Fei","Electrochemically enabled cobalt catalyzed enantioselective C–H acyloxylation of aryl phosphamide with carboxylic acid","Green Chemistry","2024","26","14","8323","8329","10.1039/D4GC01404A","","x-ray","1.34139","GaKα","","0.0367","0.0312","","","0.0759","0.079","","","","","","1.034","","","","has coordinates","293877","2024-08-05","19:36:35",""
"7248887","6.9643","0.0008","17.995","0.002","11.248","0.0013","90","","104.494","0.004","90","","1364.8","0.3","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H11 F O3 -","- C18 H11 F O3 -","- C72 H44 F4 O12 -","4","1","","Wang, Hua; Ma, Qin; Xu, Yifei; Sun, Yanyan; Zhao, Siyuan; Wang, Shaoyin; He, Xinwei","Modular access to furo[3,2-c]chromen-4-ones via Yb(OTf)3-catalyzed [3 + 2] annulation of 4-hydroxycoumarins with β-nitroalkenes","RSC Advances","2024","14","27","19581","19585","10.1039/D4RA03962A","","","0.71073","MoKα","","0.0886","0.0607","","","0.2102","0.2349","","","","","","1.089","","","","has coordinates","292457","2024-06-19","01:18:38",""
"7248888","10.7947","0.0006","13.2243","0.0009","18.4212","0.0011","90","","90","","90","","2629.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H29 N3 O18 Sc2 -","- C17 H29 N3 O18 Sc2 -","- C68 H116 N12 O72 Sc8 -","4","1","","Guo, Shuxian; Liu, Sihan; Wen, Xuemei; Cheng, Juan; Wang, Xin; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Solvent-free synthesis and optical properties of two open-framework metal oxalates with zeolitic ABW and diamondoid topologies","CrystEngComm","2024","26","26","3463","3467","10.1039/D4CE00542B","","x-ray","0.71073","MoKα","","0.0657","0.0434","","","0.1027","0.1137","","","","","","1.062","","","","has coordinates","292950","2024-07-05","15:22:10",""
"7248889","8.4592","0.0005","16.8623","0.0005","8.8757","0.0004","90","","99.942","0.005","90","","1247.03","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H25 In2 N3 O16 -","- C17 H25 In2 N3 O16 -","- C34 H50 In4 N6 O32 -","2","1","","Guo, Shuxian; Liu, Sihan; Wen, Xuemei; Cheng, Juan; Wang, Xin; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Solvent-free synthesis and optical properties of two open-framework metal oxalates with zeolitic ABW and diamondoid topologies","CrystEngComm","2024","26","26","3463","3467","10.1039/D4CE00542B","","","0.71073","MoKα","","0.0198","0.0188","","","0.0463","0.0466","","","","","","1.044","","","","has coordinates","292950","2024-07-05","15:22:10",""
"7248890","13.4041","0.0002","14.4617","0.0002","18.2115","0.0003","73.8223","0.0013","87.3313","0.0013","87.7248","0.0012","3385.45","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H68 Eu N31 O49 Tb -","- C36 H68 Eu N31 O49 Tb -","- C72 H136 Eu2 N62 O98 Tb2 -","2","1","","Rakhmanova, Mariana; Sukhikh, Taisiya; Kovalenko, Ekaterina","Highly tunable emission properties of solid-state supramolecular compounds based on Eu mixed-lanthanide complexes and cucurbit[6]uril","CrystEngComm","2024","26","29","3954","3963","10.1039/D4CE00375F","","x-ray","0.71073","MoKα","","0.0335","0.0263","","","0.0567","0.0603","","","","","","1.03","","","","has coordinates,has disorder","293782","2024-08-05","18:24:09",""
"7248891","13.409","0.0005","14.4887","0.0005","18.21","0.0008","73.8529","0.0014","87.2751","0.0014","87.7447","0.0012","3393.2","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H68 Eu1.4 Ho0.6 N31 O49 -","- C36 H68 Eu1.4 Ho0.6 N31 O49 -","- C72 H136 Eu2.8 Ho1.2 N62 O98 -","2","1","","Rakhmanova, Mariana; Sukhikh, Taisiya; Kovalenko, Ekaterina","Highly tunable emission properties of solid-state supramolecular compounds based on Eu mixed-lanthanide complexes and cucurbit[6]uril","CrystEngComm","2024","26","29","3954","3963","10.1039/D4CE00375F","","","0.71073","MoKα","","0.1019","0.0569","","","0.1165","0.1369","","","","","","1.163","","","","has coordinates,has disorder","293782","2024-08-05","18:24:10",""
"7248892","14.4113","0.0006","13.6182","0.0007","18.047","0.0009","90","","105.589","0.0016","90","","3411.5","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H68 Eu N31 Nd O49 -","- C36 H68 Eu N31 Nd O49 -","- C72 H136 Eu2 N62 Nd2 O98 -","2","0.5","","Rakhmanova, Mariana; Sukhikh, Taisiya; Kovalenko, Ekaterina","Highly tunable emission properties of solid-state supramolecular compounds based on Eu mixed-lanthanide complexes and cucurbit[6]uril","CrystEngComm","2024","26","29","3954","3963","10.1039/D4CE00375F","","","0.71073","MoKα","","0.0455","0.0408","","","0.1128","0.1173","","","","","","1.118","","","","has coordinates,has disorder","293782","2024-08-05","18:24:10",""
"7248893","14.42","0.0005","13.589","0.0004","17.9538","0.0006","90","","105.683","0.0013","90","","3387.14","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H68 Eu N31 O49 Sm -","- C36 H68 Eu N31 O49 Sm -","- C72 H136 Eu2 N62 O98 Sm2 -","2","0.5","","Rakhmanova, Mariana; Sukhikh, Taisiya; Kovalenko, Ekaterina","Highly tunable emission properties of solid-state supramolecular compounds based on Eu mixed-lanthanide complexes and cucurbit[6]uril","CrystEngComm","2024","26","29","3954","3963","10.1039/D4CE00375F","","","0.71073","MoKα","","0.0425","0.0295","","","0.0675","0.0714","","","","","","1.03","","","","has coordinates,has disorder","293782","2024-08-05","18:24:10",""
"7248894","13.4267","0.0003","14.4721","0.0004","18.2429","0.0004","73.8016","0.001","87.3486","0.001","87.8007","0.0011","3399.26","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H68 Eu Gd N31 O49 -","- C36 H68 Eu Gd N31 O49 -","- C72 H136 Eu2 Gd2 N62 O98 -","2","1","","Rakhmanova, Mariana; Sukhikh, Taisiya; Kovalenko, Ekaterina","Highly tunable emission properties of solid-state supramolecular compounds based on Eu mixed-lanthanide complexes and cucurbit[6]uril","CrystEngComm","2024","26","29","3954","3963","10.1039/D4CE00375F","","","0.71073","MoKα","","0.0516","0.0453","","","0.101","0.1035","","","","","","1.203","","","","has coordinates,has disorder","293782","2024-08-05","18:24:10",""
"7248895","13.4214","0.0005","14.4818","0.0006","18.2079","0.0007","73.8732","0.0013","87.4439","0.0013","87.9242","0.0012","3395.3","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H68 Dy Eu N31 O49 -","- C36 H68 Dy Eu N31 O49 -","- C72 H136 Dy2 Eu2 N62 O98 -","2","1","","Rakhmanova, Mariana; Sukhikh, Taisiya; Kovalenko, Ekaterina","Highly tunable emission properties of solid-state supramolecular compounds based on Eu mixed-lanthanide complexes and cucurbit[6]uril","CrystEngComm","2024","26","29","3954","3963","10.1039/D4CE00375F","","","0.71073","MoKα","","0.0735","0.0613","","","0.149","0.1558","","","","","","1.031","","","","has coordinates,has disorder","293782","2024-08-05","18:24:10",""
"7248896","13.4418","0.0004","14.4661","0.0004","18.2775","0.0006","73.8147","0.001","87.3845","0.0011","87.814","0.0009","3408.45","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H68 Eu N31 O49 Sm -","- C36 H68 Eu N31 O49 Sm -","- C72 H136 Eu2 N62 O98 Sm2 -","2","1","","Rakhmanova, Mariana; Sukhikh, Taisiya; Kovalenko, Ekaterina","Highly tunable emission properties of solid-state supramolecular compounds based on Eu mixed-lanthanide complexes and cucurbit[6]uril","CrystEngComm","2024","26","29","3954","3963","10.1039/D4CE00375F","","","0.71073","MoKα","","0.059","0.047","","","0.1221","0.1281","","","","","","1.063","","","","has coordinates,has disorder","293782","2024-08-05","18:24:10",""
"7248897","15.974","0.003","15.974","0.003","27.244","0.007","90","","90","","90","","6952","3","150","","150","","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C56 H49.5 N16 O18.24 Re5 -","- C56 H49.5 N16 O18.244 Re5 -","- C224 H198 N64 O72.976 Re20 -","4","0.25","","Shtemenko, Nataliia; Galiana-Rosello, Cristina; Gil-Martínez, Ariadna; Blasco, Salvador; Gonzalez-García, Jorge; Velichko, Helen; Holichenko, Oleksandr; Shtemenko, Olexandr; García-España, Enrique","Two rhenium compounds with benzimidazole ligands: synthesis and DNA interactions","RSC Advances","2024","14","28","19787","19793","10.1039/D4RA02669A","","","0.71073","MoKα","","0.0681","0.0584","","","0.1556","0.1637","","","","","","1.155","","","","has coordinates,has disorder","292496","2024-06-21","01:14:25",""
"7248898","21.2717","0.0005","16.4895","0.0003","26.0856","0.0007","90","","113.723","0.003","90","","8376.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C93 H75 Dy2 N3 O15 -","- C93 H75 Dy2 N3 O15 -","- C372 H300 Dy8 N12 O60 -","4","1","","Gou, Yangyang; Gao, Ming; Wu, Yunlong; Zhou, Wei; Feng, Jiancheng; Zhang, Sheng; Wang, Xiaohong; Yin, Bing","Construction of porous 2D Dy3+ metal organic frameworks: solvent responsive magnetic dynamics under 0 Oe dc field and luminescent sensors for Fe3+ ions","CrystEngComm","2024","26","30","4057","4072","10.1039/D4CE00556B","","","1.54184","CuKα","","0.0838","0.0603","","","0.159","0.1756","","","","","","1.092","","","","has coordinates,has disorder","293805","2024-08-05","18:30:29",""
"7248899","40.69949","0.00012","18.17532","0.00006","25.71644","0.00009","90","","100.858","0.0003","90","","18682.6","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C204 H195 Dy4 N9 O36 -","- C204 H195 Dy4 N9 O36 -","- C816 H780 Dy16 N36 O144 -","4","1","","Gou, Yangyang; Gao, Ming; Wu, Yunlong; Zhou, Wei; Feng, Jiancheng; Zhang, Sheng; Wang, Xiaohong; Yin, Bing","Construction of porous 2D Dy3+ metal organic frameworks: solvent responsive magnetic dynamics under 0 Oe dc field and luminescent sensors for Fe3+ ions","CrystEngComm","2024","26","30","4057","4072","10.1039/D4CE00556B","","","1.54184","CuKα","","0.0348","0.0321","","","0.097","0.0986","","","","","","1.162","","","","has coordinates,has disorder","293805","2024-08-05","18:30:30",""
"7248900","27.3822","0.0006","5.36939","0.00011","25.8726","0.0006","90","","102.224","0.002","90","","3717.69","0.14","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 Cl2 Hg N6 O5 S3 -","- C24 H34 Cl2 Hg N6 O5 S3 -","- C96 H136 Cl8 Hg4 N24 O20 S12 -","4","1","","Khorshidi, Ghazale; Notash, Behrouz; Kubicki, Maciej","Reversible anion-dependent iodine uptake in nonporous pseudopolymorphic coordination polymers","CrystEngComm","2024","26","30","4082","4097","10.1039/D4CE00402G","","x-ray","0.71073","MoKα","","0.041","0.0296","","","0.0589","0.0632","","","","","","1.033","","","","has coordinates,has disorder","293804","2024-08-05","18:30:13",""
"7248901","5.55696","0.00009","33.2718","0.0006","22.0194","0.0005","90","","94.9947","0.0015","90","","4055.71","0.14","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 Hg I2 N6 O6 S4 -","- C26 H40 Hg I2 N6 O6 S4 -","- C104 H160 Hg4 I8 N24 O24 S16 -","4","1","","Khorshidi, Ghazale; Notash, Behrouz; Kubicki, Maciej","Reversible anion-dependent iodine uptake in nonporous pseudopolymorphic coordination polymers","CrystEngComm","2024","26","30","4082","4097","10.1039/D4CE00402G","","x-ray","0.71073","MoKα","","0.0659","0.0585","","","0.1282","0.1315","","","","","","1.135","","","","has coordinates","293804","2024-08-05","18:30:14",""
"7248902","27.8834","0.0012","5.3776","0.0002","26.0063","0.0011","90","","103.308","0.004","90","","3794.8","0.3","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 Br2 Hg N6 O5 S3 -","- C24 H34 Br2 Hg N6 O5 S3 -","- C96 H136 Br8 Hg4 N24 O20 S12 -","4","1","","Khorshidi, Ghazale; Notash, Behrouz; Kubicki, Maciej","Reversible anion-dependent iodine uptake in nonporous pseudopolymorphic coordination polymers","CrystEngComm","2024","26","30","4082","4097","10.1039/D4CE00402G","","x-ray","0.71073","MoKα","","0.0499","0.0378","","","0.0894","0.096","","","","","","1.04","","","","has coordinates,has disorder","293804","2024-08-05","18:30:14",""
"7248903","22.9","0.005","12.187","0.002","52.643","0.011","90","","98.41","0.03","90","","14534","5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C135 H168 Cl10 Fe2 N4 O14 -","- C135 H168 Cl10 Fe2 N4 O14 -","- C540 H672 Cl40 Fe8 N16 O56 -","4","1","","Strelnikova, Iuliia V.; Shutilov, Ilya D.; Ovsyannikov, Alexander S.; Islamov, Daut R.; Pyataev, Andrew V.; Gerasimova, Tatiana P.; Khamatgalimov, Ayrat R.; Khrizanforov, Mikhail N.; Gubaidullin, Aidar T.; Burilov, Vladimir A.; Solovieva, Svetlana E.; Antipin, Igor S.","Elucidating the role of the o-methoxy group in the lower rim appended salicylideneamine substituents of calix[4]arene ligands on the molecular and electronic structures of dinuclear Fe(iii)-based diamond-core complexes","CrystEngComm","2024","26","29","3973","3988","10.1039/D4CE00347K","","","0.7454","synchrotron","","0.2338","0.1214","","","0.3118","0.3953","","","","","","1.059","","","","has coordinates,has disorder","293781","2024-08-05","18:23:38",""
"7248904","4.775","0.0002","11.0709","0.0005","22.9812","0.0009","90","","95.654","0.001","90","","1208.96","0.09","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Br N O3 -","- C14 H8 Br N O3 -","- C56 H32 Br4 N4 O12 -","4","1","","Bhakta, Viki; Guchhait, Nikhil","Switching of photoinduced proton transfer from one six-membered hydrogen-bonded ring to other: a molecule of hydrazine and pH sensor.","Physical chemistry chemical physics : PCCP","2024","26","28","19290","19301","10.1039/d4cp01998a","","x-ray","0.71073","MoKα","","0.0487","0.0348","","","0.0636","0.0687","","","","","","1.11","","","","has coordinates","293943","2024-08-05","20:06:32",""
"7248905","10.4643","0.0011","10.4975","0.0011","13.6002","0.0014","98.159","0.003","104.074","0.003","111.527","0.003","1303.1","0.2","298","2","298","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 Cs3 N12 O15 -","- C12 H15 Cs3 N12 O15 -","- C24 H30 Cs6 N24 O30 -","2","1","","Wang, Xinyue; Wang, Dandan; Liu, Yujie; Wang, Jinhui","Alkali-metal isocyanurate Cs3(H2C3N3O3)3(H3C3N3O3)·3H2O: synthesis and characterization","CrystEngComm","2024","26","29","3948","3953","10.1039/D4CE00497C","","","0.71073","MoKα","","0.0837","0.0402","","","0.0563","0.0692","","","","","","1.046","","","","has coordinates","293779","2024-08-05","18:23:14",""
"7248906","10.1","0.015","13.66","0.02","17.31","0.03","101.538","0.019","93.524","0.019","102.071","0.019","2275","6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H28 Cd2 N8 O9 -","- C41 H28 Cd2 N8 O9 -","- C82 H56 Cd4 N16 O18 -","2","1","","Wu, Ye-Feng; Cheng, Jia-Jun; Jiang, Tao; Ma, Yu-Chen; Kou, Jia-Lei; Cheng, Guo-Feng; Hu, Xiu-Li; Tang, Xiao-Yan; Ma, Yun-Sheng; Yin, Wen-Yu; Cheng, Hong-Jian","Multiresponsive luminescent sensing behaviour of a tetraimidazole ligand and its 3D Cd(ii) metal–organic frameworks","CrystEngComm","2024","26","30","4048","4056","10.1039/D4CE00469H","","","0.71073","MoKα","","0.0592","0.0387","","","0.103","0.1263","","","","","","1.088","","","","has coordinates,has disorder","293802","2024-08-05","18:29:50",""
"7248907","13.257","0.002","13.927","0.003","15.53","0.003","63.623","0.003","83.819","0.003","81.009","0.003","2534.9","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H84 Cd4 N17 O23 -","- C108 H84 Cd4 N17 O23 -","- C108 H84 Cd4 N17 O23 -","1","0.5","","Wu, Ye-Feng; Cheng, Jia-Jun; Jiang, Tao; Ma, Yu-Chen; Kou, Jia-Lei; Cheng, Guo-Feng; Hu, Xiu-Li; Tang, Xiao-Yan; Ma, Yun-Sheng; Yin, Wen-Yu; Cheng, Hong-Jian","Multiresponsive luminescent sensing behaviour of a tetraimidazole ligand and its 3D Cd(ii) metal–organic frameworks","CrystEngComm","2024","26","30","4048","4056","10.1039/D4CE00469H","","","0.71073","MoKα","","0.0695","0.059","","","0.1649","0.2027","","","","","","1.015","","","","has coordinates","293802","2024-08-05","18:29:50",""
"7248908","9.5381","0.0001","11.076","0.0001","18.5558","0.0002","97.365","0.001","102.275","0.001","93.924","0.001","1890.41","0.03","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C50 H42 O2 -","- C50 H42 O2 -","- C100 H84 O4 -","2","1","","Nakamura, Minami; Kashiwagi, Yukiyasu; Morisue, Mitsuhiko","Comprehensive analysis of C–H⋯π(alkyne) interactions in the crystal packing of diastereomers of 1,2-di(7′-methoxynaphth-1′-yl)-3,6-di(4′′-n-propylphenylethynyl)benzene","CrystEngComm","2024","26","29","3964","3972","10.1039/D4CE00495G","","x-ray","1.54184","CuKα","","0.0415","0.038","","","0.1001","0.1026","","","","","","1.076","","","","has coordinates","293784","2024-08-05","18:24:46",""
"7248909","13.4062","0.0001","13.48","0.0001","20.5669","0.0002","90","","90","","90","","3716.76","0.05","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C50 H42 O2 -","- C50 H42 O2 -","- C200 H168 O8 -","4","1","","Nakamura, Minami; Kashiwagi, Yukiyasu; Morisue, Mitsuhiko","Comprehensive analysis of C–H⋯π(alkyne) interactions in the crystal packing of diastereomers of 1,2-di(7′-methoxynaphth-1′-yl)-3,6-di(4′′-n-propylphenylethynyl)benzene","CrystEngComm","2024","26","29","3964","3972","10.1039/D4CE00495G","","x-ray","1.54184","CuKα","","0.0317","0.0296","","","0.0732","0.0746","","","","","","1.06","","","","has coordinates","293784","2024-08-05","18:24:46",""
"7248910","8.9077","0.0001","9.1847","0.0001","18.1367","0.0002","90","","93.364","0.001","90","","1481.29","0.03","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-phenyl-2-(phenylamino)-6H-1,3,4-thiadiazin-3-ium","","- C15 H14 Br N3 S -","- C15 H14 Br N3 S -","- C60 H56 Br4 N12 S4 -","4","1","","Tawfeek, Hendawy N.; Abdelmoez, Alshaimaa; Dahlous, Kholood A.; Youssif, Bahaa G. M.; Bräse, Stefan; Rissanen, Kari; Nieger, Martin; El-Sheref, Essmat M.","Convenient synthesis and X-ray determination of 2-amino-6H-1,3,4-thiadiazin-3-ium bromides endowed with antiproliferative activity","RSC Advances","2024","14","25","17866","17876","10.1039/D4RA02531H","","x-ray","1.54184","CuKα","","0.0203","0.0202","","","0.0512","0.0513","","","","","","1.089","","","","has coordinates","292632","2024-06-28","01:07:53",""
"7248911","7.4414","0.0003","18.2272","0.0007","19.6573","0.0007","90","","90","","90","","2666.24","0.18","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Z)-N-(5-phenyl-3,6-dihydro-2H-1,3,4-thiadiazin-2-ylidene)prop-2-en-1-aminium bromide","","- C12 H14 Br N3 S -","- C12 H14 Br N3 S -","- C96 H112 Br8 N24 S8 -","8","1","","Tawfeek, Hendawy N.; Abdelmoez, Alshaimaa; Dahlous, Kholood A.; Youssif, Bahaa G. M.; Bräse, Stefan; Rissanen, Kari; Nieger, Martin; El-Sheref, Essmat M.","Convenient synthesis and X-ray determination of 2-amino-6H-1,3,4-thiadiazin-3-ium bromides endowed with antiproliferative activity","RSC Advances","2024","14","25","17866","17876","10.1039/D4RA02531H","","","1.54178","CuKα","","0.023","0.0223","","","0.0559","0.0563","","","","","","1.05","","","","has coordinates","292632","2024-06-28","01:07:55",""
"7248912","10.3567","0.0008","12.1184","0.0009","22.4299","0.0015","91.283","0.006","95.977","0.007","110.754","0.008","2612.8","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H66 Br4 O10 -","- C53 H66 Br4 O10 -","- C106 H132 Br8 O20 -","2","1","","Vinodh, Mickey; Alshammari, Anwar A.; Al-Azemi, Talal F.","Influence of halogen–halogen interactions in the self-assembly of pillar[5]arene-based supramolecular polymers","RSC Advances","2024","14","29","20553","20560","10.1039/D4RA03769C","","","0.71075","MoKα","","0.1513","0.0653","","","0.1549","0.179","","","","","","0.905","","","","has coordinates","292654","2024-06-29","01:12:18",""
"7248913","10.2873","0.0003","12.1713","0.0004","22.771","0.0008","90.681","0.002","98.012","0.002","109.405","0.002","2657.77","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H66 Cl4 O10 -","- C53 H66 Cl4 O10 -","- C106 H132 Cl8 O20 -","2","1","","Vinodh, Mickey; Alshammari, Anwar A.; Al-Azemi, Talal F.","Influence of halogen–halogen interactions in the self-assembly of pillar[5]arene-based supramolecular polymers","RSC Advances","2024","14","29","20553","20560","10.1039/D4RA03769C","","","1.54178","CuKα","","0.0896","0.0717","","","0.2062","0.2235","","","","","","1.017","","","","has coordinates,has disorder","292654","2024-06-29","01:12:19",""
"7248914","15.0762","0.0013","15.0762","0.0013","39.5384","0.0015","90","","90","","90","","8986.8","1.1","150","2","150","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C49 H58 F2 O10 -","- C49 H58 F2 O10 -","- C392 H464 F16 O80 -","8","0.5","","Vinodh, Mickey; Alshammari, Anwar A.; Al-Azemi, Talal F.","Influence of halogen–halogen interactions in the self-assembly of pillar[5]arene-based supramolecular polymers","RSC Advances","2024","14","29","20553","20560","10.1039/D4RA03769C","","","0.71075","MoKα","","0.1069","0.0695","","","0.2023","0.2264","","","","","","1.041","","","","has coordinates","292654","2024-06-29","01:12:19",""
"7248915","10.628","0.0009","12.2335","0.0012","23.534","0.002","88.021","0.006","77.859","0.006","71.497","0.005","2835","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C104 H128 I7 O20 -","- C104 H128 I7 O20 -","- C104 H128 I7 O20 -","1","0.5","","Vinodh, Mickey; Alshammari, Anwar A.; Al-Azemi, Talal F.","Influence of halogen–halogen interactions in the self-assembly of pillar[5]arene-based supramolecular polymers","RSC Advances","2024","14","29","20553","20560","10.1039/D4RA03769C","","","0.71075","MoKα","","0.1935","0.1199","","","0.3487","0.3985","","","","","","1.234","","","","has coordinates,has disorder","292654","2024-06-29","01:12:19",""
"7248916","4.7716","0.0001","18.2538","0.0005","16.7147","0.0004","90","","97.171","0.002","90","","1444.46","0.06","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Br N3 O2 -","- C15 H14 Br N3 O2 -","- C60 H56 Br4 N12 O8 -","4","1","","Kotásková, Lucie; Jewula, Pawel; Herchel, Radovan; Nemec, Ivan; Neugebauer, Petr","Photoswitchable hydrazones with pyridine-based rotors and halogen substituents","RSC Advances","2024","14","29","20856","20866","10.1039/D4RA02909G","","x-ray","1.54184","CuKα","","0.037","0.0336","","","0.0918","0.0945","","","","","","1.031","","","","has coordinates","292680","2024-07-02","01:19:51",""
"7248917","4.6839","0.0002","18.5687","0.0008","16.9966","0.0006","90","","95.506","0.004","90","","1471.44","0.1","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 I N3 O2 -","- C15 H14 I N3 O2 -","- C60 H56 I4 N12 O8 -","4","1","","Kotásková, Lucie; Jewula, Pawel; Herchel, Radovan; Nemec, Ivan; Neugebauer, Petr","Photoswitchable hydrazones with pyridine-based rotors and halogen substituents","RSC Advances","2024","14","29","20856","20866","10.1039/D4RA02909G","","x-ray","1.54184","CuKα","","0.0583","0.055","","","0.1458","0.1492","","","","","","1.04","","","","has coordinates","292680","2024-07-02","01:19:51",""
"7248918","4.6839","0.0002","18.5687","0.0008","16.9966","0.0006","90","","95.506","0.004","90","","1471.44","0.1","100","0.1","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 I N3 O2 -","- C15 H14 I N3 O2 -","- C60 H56 I4 N12 O8 -","4","1","","Kotásková, Lucie; Jewula, Pawel; Herchel, Radovan; Nemec, Ivan; Neugebauer, Petr","Photoswitchable hydrazones with pyridine-based rotors and halogen substituents","RSC Advances","2024","14","29","20856","20866","10.1039/D4RA02909G","","","1.54184","CuKα","","0.0572","0.0539","","","0.1424","0.1459","","","","","","1.012","","","","has coordinates","292680","2024-07-02","01:19:51",""
"7248919","4.7709","0.0001","18.2539","0.0005","16.7122","0.0004","90","","97.166","0.002","90","","1444.06","0.06","150","0.1","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Br N3 O2 -","- C15 H14 Br N3 O2 -","- C60 H56 Br4 N12 O8 -","4","1","","Kotásková, Lucie; Jewula, Pawel; Herchel, Radovan; Nemec, Ivan; Neugebauer, Petr","Photoswitchable hydrazones with pyridine-based rotors and halogen substituents","RSC Advances","2024","14","29","20856","20866","10.1039/D4RA02909G","","","1.54184","CuKα","","0.036","0.0321","","","0.0842","0.0868","","","","","","1.0296","","","","has coordinates","292680","2024-07-02","01:19:51",""
"7248920","14.3674","0.001","10.3669","0.0007","10.6054","0.0006","90","","103.165","0.007","90","","1538.11","0.18","121.6","0.5","121.6","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(E)-3-(((4H-1,2,4-triazol-4-yl)imino)methyl)-7-(diethylamino)-2H-chromen-2-one","Compound 11","","- C16 H17 N5 O2 -","- C16 H17 N5 O2 -","- C64 H68 N20 O8 -","4","1","","Castro, Geraldyne; Romero-Ávila, Margarita; Farfán, Norberto; Arcos-Ramos, Rafael; Maldonado-Domínguez, Mauricio","Heterocycles as supramolecular handles for crystal engineering: a case study with 7-(diethylamino)coumarin derivatives","RSC Advances","2024","14","29","20824","20836","10.1039/D4RA03656E","","","0.71073","MoKα","","0.0563","0.0422","","","0.1308","0.1474","","","","","","1.0953","","","","has coordinates","292681","2024-07-02","01:20:20",""
"7248921","10.3636","0.0017","11.0274","0.0016","11.175","0.0017","85.893","0.005","76.937","0.005","63.663","0.005","1114.3","0.3","304","","304","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 O12 Tb -","- C12 H12 O12 Tb -","- C24 H24 O24 Tb2 -","2","1","","Yang, Shun-Yi; Zhang, Qian; Zhang, Yang-Lu; Tan, Tie-Shen; Zhu, Junlun; Yang, Xiaodong; Shi, Le; Yang, Jiong; Shao, Dong","Highly proton-conducting lanthanide metal–organic frameworks featuring highly oxygenated ligands with slow magnetic relaxation or magnetocaloric effect","CrystEngComm","2024","26","31","4181","4189","10.1039/D4CE00501E","","","0.71073","MoKα","","0.0204","0.0184","","","0.0443","0.0448","","","","","","1.084","","","","has coordinates","294521","2024-09-06","00:17:18",""
"7248922","10.766","0.004","11.043","0.003","11.24","0.004","89.621","0.014","80.36","0.02","64.452","0.014","1185.4","0.7","306","","306","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 Gd2 O24 -","- C24 H24 Gd2 O24 -","- C24 H24 Gd2 O24 -","1","0.5","","Yang, Shun-Yi; Zhang, Qian; Zhang, Yang-Lu; Tan, Tie-Shen; Zhu, Junlun; Yang, Xiaodong; Shi, Le; Yang, Jiong; Shao, Dong","Highly proton-conducting lanthanide metal–organic frameworks featuring highly oxygenated ligands with slow magnetic relaxation or magnetocaloric effect","CrystEngComm","2024","26","31","4181","4189","10.1039/D4CE00501E","","","0.71073","MoKα","","0.0284","0.0275","","","0.0681","0.0685","","","","","","1.114","","","","has coordinates","294521","2024-09-06","00:17:18",""
"7248923","26.8255","0.0016","9.3424","0.0006","13.8939","0.0008","90","","93.608","0.002","90","","3475.1","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H32 N14 O7 Pb2 -","- C29 H32 N14 O7 Pb2 -","- C116 H128 N56 O28 Pb8 -","4","0.5","","Mahmoudi, Ghodrat; Garcia-Santos, Isabel; Labisbal, Elena; Castiñeiras, Alfonso; Alizadeh, Vali; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.","A lead(ii)–N′-isonicotinoylpyrazine-2-carbohydrazonamide complex system as a converter of aerial carbon dioxide to carbonate under electrochemical conditions with the formation of a single-component white light-emitting phosphor","CrystEngComm","2024","26","31","4205","4213","10.1039/D4CE00562G","","","0.71073","MoKα","","0.0164","0.0143","","","0.0344","0.0353","","","","","","1.062","","","","has coordinates","294524","2024-09-06","00:17:43",""
"7248924","6.8963","0.0002","10.2829","0.0003","12.8595","0.0004","76.412","0.003","83.264","0.002","70.536","0.003","834.98","0.05","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 Br N -","- C20 H18 Br N -","- C40 H36 Br2 N2 -","2","1","","Kusumoto, Sotaro; Wakabayashi, Kaede; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro","Photosalient effect and photodimerization of mono- and dicationic organic salts incorporated in 4-styrylpyridine","CrystEngComm","2024","26","28","3791","3794","10.1039/D4CE00538D","","x-ray","0.71073","MoKα","","0.0484","0.0371","","","0.082","0.0852","","","","","","1.192","","","","has coordinates,has disorder","293791","2024-08-05","18:26:23",""
"7248925","9.6895","0.0003","9.7559","0.0004","10.9467","0.0003","97.487","0.003","105.034","0.003","118.199","0.004","840.99","0.07","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 Br2 N2 O2 -","- C40 H40 Br2 N2 O2 -","- C40 H40 Br2 N2 O2 -","1","0.5","","Kusumoto, Sotaro; Wakabayashi, Kaede; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro","Photosalient effect and photodimerization of mono- and dicationic organic salts incorporated in 4-styrylpyridine","CrystEngComm","2024","26","28","3791","3794","10.1039/D4CE00538D","","","0.71073","MoKα","","0.0415","0.034","","","0.0719","0.0741","","","","","","1.056","","","","has coordinates,has disorder","293791","2024-08-05","18:26:23",""
"7248926","12.1902","0.0004","15.9154","0.0005","18.7119","0.0007","69.469","0.003","73.203","0.003","89.616","0.003","3236.5","0.2","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H41 Br2 N2 O1.5 -","- C38 H41 Br2 N2 O1.5 -","- C152 H164 Br8 N8 O6 -","4","2","","Kusumoto, Sotaro; Wakabayashi, Kaede; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro","Photosalient effect and photodimerization of mono- and dicationic organic salts incorporated in 4-styrylpyridine","CrystEngComm","2024","26","28","3791","3794","10.1039/D4CE00538D","","","0.71073","MoKα","","0.096","0.0615","","","0.1386","0.1566","","","","","","1.039","","","","has coordinates","293791","2024-08-05","18:26:23",""
"7248927","12.277","0.0005","16.0596","0.0007","18.7305","0.0015","68.905","0.006","71.723","0.006","89.945","0.003","3245.5","0.4","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C76 H82 Br4 N4 O3 -","- C76 H82 Br4 N4 O3 -","- C152 H164 Br8 N8 O6 -","2","1","","Kusumoto, Sotaro; Wakabayashi, Kaede; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro","Photosalient effect and photodimerization of mono- and dicationic organic salts incorporated in 4-styrylpyridine","CrystEngComm","2024","26","28","3791","3794","10.1039/D4CE00538D","","","0.71073","MoKα","","0.1732","0.0939","","","0.202","0.241","","","","","","1.054","","","","has coordinates,has disorder","293791","2024-08-05","18:26:23",""
"7248928","5.0188","0.0006","13.9106","0.0015","25.986","0.003","90","","90","","90","","1814.2","0.4","100","2","100","2","","","","","","","synthesized by authors","4","P 21 21 21","P 2ac 2ab","19","","(E)-4-Styryl-2-(4-(trifluoromethyl)phenyl)quinazoline","","- C23 H15 F3 N2 -","- C23 H15 F3 N2 -","- C92 H60 F12 N8 -","4","1","","Rodríguez, Diego Fernando; Lipez, Kelly Johanna; Stashenko, Elena; Díaz, Iván; Cobo, Justo; Palma, Alirio","Alternative and efficient one-pot three-component synthesis of substituted 2-aryl-4-styrylquinazolines/4-styrylquinazolines from synthetically available 1-(2-aminophenyl)-3-arylprop-2-en-1-ones: characterization and evaluation of their antiproliferative activities","RSC Advances","2024","14","29","20951","20965","10.1039/D4RA03702B","","","0.71073","MoKα","","0.1055","0.0865","","","0.1869","0.1951","","","","","","1.189","","","","has coordinates","292697","2024-07-03","01:10:22",""
"7248929","13.1299","0.0008","13.2052","0.0009","7.7725","0.0004","90","","95.083","0.002","90","","1342.32","0.14","100","2","100","2","","","","","","","Synthetic","4","P 1 21/c 1","-P 2ybc","14","","(E)â\/E?4â\/E?(4â\/E?(Trifluoromethyl)styryl)quinazoline","","- C17 H11 F3 N2 -","- C17 H11 F3 N2 -","- C68 H44 F12 N8 -","4","1","","Rodríguez, Diego Fernando; Lipez, Kelly Johanna; Stashenko, Elena; Díaz, Iván; Cobo, Justo; Palma, Alirio","Alternative and efficient one-pot three-component synthesis of substituted 2-aryl-4-styrylquinazolines/4-styrylquinazolines from synthetically available 1-(2-aminophenyl)-3-arylprop-2-en-1-ones: characterization and evaluation of their antiproliferative activities","RSC Advances","2024","14","29","20951","20965","10.1039/D4RA03702B","","","0.71073","MoKα","","0.0802","0.0551","","","0.1173","0.1316","","","","","","1.079","","","","has coordinates","292697","2024-07-03","01:10:23",""
"7248930","24.6763","0.0013","3.9753","0.0002","13.3702","0.0007","90","","90","","90","","1311.56","0.12","100","2","100","2","","","","","","","Synthetic","4","P c a 21","P 2c -2ac","29","","(E)–4–(4–Methoxystyryl)quinazoline","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C68 H56 N8 O4 -","4","1","","Rodríguez, Diego Fernando; Lipez, Kelly Johanna; Stashenko, Elena; Díaz, Iván; Cobo, Justo; Palma, Alirio","Alternative and efficient one-pot three-component synthesis of substituted 2-aryl-4-styrylquinazolines/4-styrylquinazolines from synthetically available 1-(2-aminophenyl)-3-arylprop-2-en-1-ones: characterization and evaluation of their antiproliferative activities","RSC Advances","2024","14","29","20951","20965","10.1039/D4RA03702B","","","0.71073","MoKα","","0.0357","0.0314","","","0.0716","0.0741","","","","","","1.045","","","","has coordinates","292697","2024-07-03","01:10:23",""
"7248931","4.9752","0.0006","15.7038","0.0018","7.0385","0.001","90","","107.756","0.004","90","","523.72","0.12","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C H5 N7 -","- C H5 N7 -","- C4 H20 N28 -","4","0.5","","Wang, Pengfei; Liu, Lile; Sun, Zebang; Qin, Feng; Shi, Lei; Gao, Chao; Du, Yang; Zhang, Chong; Hu, Bingcheng; Sun, Chengguo","Constructing layered structure amidine-based pentazolate salts with low sensitivity","CrystEngComm","2024","26","30","4114","4120","10.1039/D4CE00521J","","","0.71073","MoKα","","0.0453","0.0341","","","0.0805","0.0855","","","","","","1.09","","","","has coordinates","293801","2024-08-05","18:29:39",""
"7248932","4.8465","0.0004","9.6906","0.0007","16.5974","0.0012","90","","92.765","0.002","90","","778.6","0.1","273.15","","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H8 N8 O -","- C3 H8 N8 O -","- C12 H32 N32 O4 -","4","1","","Wang, Pengfei; Liu, Lile; Sun, Zebang; Qin, Feng; Shi, Lei; Gao, Chao; Du, Yang; Zhang, Chong; Hu, Bingcheng; Sun, Chengguo","Constructing layered structure amidine-based pentazolate salts with low sensitivity","CrystEngComm","2024","26","30","4114","4120","10.1039/D4CE00521J","","","0.71073","MoKα","","0.0573","0.0404","","","0.0929","0.1013","","","","","","1.04","","","","has coordinates","293801","2024-08-05","18:29:39",""
"7248933","6.45","0.005","12.008","0.01","12.141","0.011","90","","102.19","0.03","90","","919.1","1.3","273.15","","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H8 N10 O -","- C3 H8 N10 O -","- C12 H32 N40 O4 -","4","1","","Wang, Pengfei; Liu, Lile; Sun, Zebang; Qin, Feng; Shi, Lei; Gao, Chao; Du, Yang; Zhang, Chong; Hu, Bingcheng; Sun, Chengguo","Constructing layered structure amidine-based pentazolate salts with low sensitivity","CrystEngComm","2024","26","30","4114","4120","10.1039/D4CE00521J","","","0.71073","MoKα","","0.141","0.0625","","","0.112","0.1341","","","","","","1.034","","","","has coordinates","293801","2024-08-05","18:29:39",""
"7248934","3.9161","0.0005","9.7152","0.0011","12.5718","0.0014","84.813","0.003","86.135","0.004","83.993","0.004","472.92","0.1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C7 H9 N7 -","- C7 H9 N7 -","- C14 H18 N14 -","2","1","","Wang, Pengfei; Liu, Lile; Sun, Zebang; Qin, Feng; Shi, Lei; Gao, Chao; Du, Yang; Zhang, Chong; Hu, Bingcheng; Sun, Chengguo","Constructing layered structure amidine-based pentazolate salts with low sensitivity","CrystEngComm","2024","26","30","4114","4120","10.1039/D4CE00521J","","","0.71073","MoKα","","0.0969","0.0547","","","0.1222","0.1373","","","","","","1.043","","","","has coordinates","293801","2024-08-05","18:29:39",""
"7248935","5.2112","0.0015","7.849","0.002","7.88","0.003","78.116","0.009","76.103","0.01","73.73","0.009","297.01","0.16","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C2 H6 N6 O2 -","- C2 H6 N6 O2 -","- C4 H12 N12 O4 -","2","1","","Wang, Pengfei; Liu, Lile; Sun, Zebang; Qin, Feng; Shi, Lei; Gao, Chao; Du, Yang; Zhang, Chong; Hu, Bingcheng; Sun, Chengguo","Constructing layered structure amidine-based pentazolate salts with low sensitivity","CrystEngComm","2024","26","30","4114","4120","10.1039/D4CE00521J","","","0.71073","MoKα","","0.0346","0.0315","","","0.0833","0.0855","","","","","","1.08","","","","has coordinates","293801","2024-08-05","18:29:39",""
"7248936","13.629","0.001","6.5997","0.0006","7.4672","0.0005","90","","90","","90","","671.65","0.09","273.15","","273.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C2 H7 N7 -","- C2 H7 N7 -","- C8 H28 N28 -","4","0.5","","Wang, Pengfei; Liu, Lile; Sun, Zebang; Qin, Feng; Shi, Lei; Gao, Chao; Du, Yang; Zhang, Chong; Hu, Bingcheng; Sun, Chengguo","Constructing layered structure amidine-based pentazolate salts with low sensitivity","CrystEngComm","2024","26","30","4114","4120","10.1039/D4CE00521J","","","0.71073","MoKα","","0.0687","0.0444","","","0.1078","0.123","","","","","","1.0424","","","","has coordinates","293801","2024-08-05","18:29:39",""
"7248937","7.0037","0.0015","7.0175","0.0015","7.7191","0.0016","90","","96.937","0.007","90","","376.6","0.14","273.15","","273.15","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C4 H9 N7 -","- C4 H9 N7 -","- C8 H18 N14 -","2","0.5","","Wang, Pengfei; Liu, Lile; Sun, Zebang; Qin, Feng; Shi, Lei; Gao, Chao; Du, Yang; Zhang, Chong; Hu, Bingcheng; Sun, Chengguo","Constructing layered structure amidine-based pentazolate salts with low sensitivity","CrystEngComm","2024","26","30","4114","4120","10.1039/D4CE00521J","","","0.71073","MoKα","","0.0881","0.058","","","0.1201","0.1406","","","","","","1.0564","","","","has coordinates","293801","2024-08-05","18:29:39",""
"7248938","10.4752","0.0015","10.9876","0.0015","14.3813","0.0019","110.378","0.004","107.663","0.004","92.224","0.005","1459","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 Ag3 Br5 Cu2 N4 O2 -","- C24 H16 Ag3 Br5 Cu2 N4 O2 -","- C48 H32 Ag6 Br10 Cu4 N8 O4 -","2","1","","Tian, Yiming; Ren, Taohong; Zhu, Hongjin; Jia, Dingxian","Bromoargentate/g-C3N4 heterojunction by in situ growth: 2-D bromoargentate framework with a transition metal complex linker and cocatalyst for enhanced photocatalytic activity via g-C3N4 hybrid","CrystEngComm","2024","26","29","3911","3919","10.1039/D4CE00510D","","","0.71073","MoKα","","0.0654","0.0482","","","0.1311","0.1428","","","","","","1.093","","","","has coordinates","293780","2024-08-05","18:23:22",""
"7248939","14.9709","0.0002","16.1263","0.0002","19.5465","0.0002","94.167","0.001","92.28","0.001","94.475","0.001","4687.29","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C106.83 H87.83 Cl2.49 N5 O16 S4 -","- C106.83 H87.83 Cl2.49 N5 O16 S4 -","- C213.66 H175.66 Cl4.98 N10 O32 S8 -","2","1","","Losus, Renny Maria; Sitdikov, Ruzal; Stoikov, Ivan; Dobrzańska, Liliana","Structural diversity of anthraquinone substituted p-tert-butylthiacalix[4]arene in the partial cone conformation upon external stimuli","CrystEngComm","2024","26","29","3929","3936","10.1039/D4CE00387J","","","1.54184","CuKα","","0.0617","0.0552","","","0.1463","0.1515","","","","","","1.036","","","","has coordinates,has disorder","293783","2024-08-05","18:24:36",""
"7248940","15.8232","0.0003","17.3859","0.0004","18.8448","0.0004","98.147","0.002","101.223","0.002","100.842","0.002","4908","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C115.9 H97.6 N4 O16 S4 -","- C115.9 H97.6 N4 O16 S4 -","- C231.8 H195.2 N8 O32 S8 -","2","1","","Losus, Renny Maria; Sitdikov, Ruzal; Stoikov, Ivan; Dobrzańska, Liliana","Structural diversity of anthraquinone substituted p-tert-butylthiacalix[4]arene in the partial cone conformation upon external stimuli","CrystEngComm","2024","26","29","3929","3936","10.1039/D4CE00387J","","","1.54184","CuKα","","0.1029","0.0652","","","0.1691","0.1906","","","","","","1.011","","","","has coordinates,has disorder","293783","2024-08-05","18:24:36",""
"7248941","13.5849","0.0014","18.286","0.002","18.8373","0.0016","76.759","0.009","71.398","0.009","83.702","0.009","4313.7","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H84 N4 O16 S4 -","- C104 H84 N4 O16 S4 -","- C208 H168 N8 O32 S8 -","2","1","","Losus, Renny Maria; Sitdikov, Ruzal; Stoikov, Ivan; Dobrzańska, Liliana","Structural diversity of anthraquinone substituted p-tert-butylthiacalix[4]arene in the partial cone conformation upon external stimuli","CrystEngComm","2024","26","29","3929","3936","10.1039/D4CE00387J","","","1.54184","CuKα","","0.3457","0.1022","","","0.1385","0.2012","","","","","","0.981","","","","has coordinates","293783","2024-08-05","18:24:36",""
"7248942","14.8576","0.0002","16.0928","0.0002","19.4965","0.0003","93.281","0.001","91.735","0.001","96.104","0.001","4624.49","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C104.74 H84.74 Cl2.22 N4 O16 S4 -","- C104.74 H84.74 Cl2.22 N4 O16 S4 -","- C209.48 H169.48 Cl4.44 N8 O32 S8 -","2","1","","Losus, Renny Maria; Sitdikov, Ruzal; Stoikov, Ivan; Dobrzańska, Liliana","Structural diversity of anthraquinone substituted p-tert-butylthiacalix[4]arene in the partial cone conformation upon external stimuli","CrystEngComm","2024","26","29","3929","3936","10.1039/D4CE00387J","","","1.54184","CuKα","","0.0576","0.0518","","","0.1395","0.1437","","","","","","1.042","","","","has coordinates,has disorder","293783","2024-08-05","18:24:37",""
"7248943","7.976","0.003","12.668","0.004","12.714","0.004","101.928","0.006","102.068","0.006","105.796","0.006","1160.4","0.7","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C H Br0.07 Cl N O S0.07 -","- C2.66667 H2.4 Br0.266667 N0.533333 O0.533333 S0.266667 -","- C40 H36 Br4 N8 O8 S4 -","15","7.5","","Huang, Cheng; Kang, Chen; Liu, Hong-Jun; Wang, Chen-Lu; Tang, Sheng; Qin, Yu-Shu; Wei, Zhenhong; Cai, Hu","N-Sulfonylation of azoles with sulfonyl hydrazides enabled by electrocatalysis","Green Chemistry","2024","26","15","8706","8710","10.1039/D4GC02474E","","","0.71073","MoKα","","0.153","0.0635","","","0.1346","0.1674","","","","","","0.994","","","","has coordinates","293878","2024-08-05","19:36:46",""
"7248944","7.3939","0.0016","7.7731","0.0017","13.16","0.003","84.179","0.004","73.9","0.003","63.163","0.003","648.2","0.2","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C H Cl0 N O S0.08 -","- C1.84615 H1.84615 N0.307692 O0.615385 S0.153846 -","- C24 H24 N4 O8 S2 -","13","6.5","","Huang, Cheng; Kang, Chen; Liu, Hong-Jun; Wang, Chen-Lu; Tang, Sheng; Qin, Yu-Shu; Wei, Zhenhong; Cai, Hu","N-Sulfonylation of azoles with sulfonyl hydrazides enabled by electrocatalysis","Green Chemistry","2024","26","15","8706","8710","10.1039/D4GC02474E","","","0.71073","MoKα","","0.0511","0.0409","","","0.1041","0.1127","","","","","","1.06","","","","has coordinates","293878","2024-08-05","19:36:46",""
"7248945","4.7711","0.0006","13.43","0.005","19.544","0.002","90","","94.722","0.01","90","","1248","0.5","216","50","216","50","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13.75 H10.75 N O4 -","- C13.75 H10.75 N O4 -","- C55 H43 N4 O16 -","4","1","","Kumar, Sachin; Lal, Bajrang; Singh, Gurleen; Muskan,; Tittal, Ram Kumar; Singh, Jandeep; Vikas D., Ghule; Sharma, Renu","5-Aminoisophthalate-based kojic acid-appended bis-1,2,3-triazole: a fluorescent chemosensor for Cu2+ sensing and in silico study","RSC Advances","2024","14","29","20908","20922","10.1039/D4RA02372B","","x-ray","0.71073","MoKα","","0.0734","0.0567","","","0.1628","0.1805","","","","","","1.077","","","","has coordinates","292725","2024-07-04","01:21:08",""
"7248946","11.3018","0.0005","13.3845","0.0006","14.5613","0.0004","96.292","0.003","99.214","0.003","107.796","0.004","2040.55","0.15","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H26 F9 N10 O9 S3 Yb -","- C25 H26 F9 N10 O9 S3 Yb -","- C50 H52 F18 N20 O18 S6 Yb2 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.71073","MoKα","","0.0619","0.0558","","","0.1592","0.1628","","","","","","1.305","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248947","10.8093","0.0005","17.0375","0.0005","19.6847","0.0005","90","","90","","90","","3625.2","0.2","100","1","100","1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C25 H26 F9 N10 O9 S3 Sm -","- C25 H26 F9 N10 O9 S3 Sm -","- C100 H104 F36 N40 O36 S12 Sm4 -","4","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.7107","MoKα","","0.0253","0.025","","","0.066","0.0661","","","","","","1.045","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248948","10.9258","0.0003","17.1974","0.0004","19.8714","0.0006","90","","90","","90","","3733.74","0.18","295","2","295","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C25 H26 F9 N10 O9 Pr S3 -","- C25 H26 F9 N10 O9 Pr S3 -","- C100 H104 F36 N40 O36 Pr4 S12 -","4","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.7107","MoKα","","0.0434","0.0314","","","0.077","0.082","","","","","","1.035","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248949","10.9423","0.0002","17.2695","0.0004","19.9168","0.0004","90","","90","","90","","3763.64","0.13","295","2","295","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C25 H26 F9 La N10 O9 S3 -","- C25 H26 F9 La N10 O9 S3 -","- C100 H104 F36 La4 N40 O36 S12 -","4","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","1.54178","CuKα","","0.0516","0.0457","","","0.1218","0.128","","","","","","1.054","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248950","10.8953","0.0002","17.106","0.0003","19.8121","0.0005","90","","90","","90","","3692.48","0.13","295","2","295","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C25 H26 Eu F9 N10 O9 S3 -","- C25 H26 Eu F9 N10 O9 S3 -","- C100 H104 Eu4 F36 N40 O36 S12 -","4","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.7107","MoKα","","0.0286","0.0257","","","0.0659","0.068","","","","","","1.038","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248951","8.3705","0.0007","9.3039","0.0007","12.7182","0.0009","102.222","0.006","103.692","0.007","102.763","0.006","901.39","0.13","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C11 H15 Er N8 O10 -","- C11 H15 Er N8 O10 -","- C22 H30 Er2 N16 O20 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.71073","MoKα","","0.0648","0.0572","","","0.1485","0.1539","","","","","","1.234","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248952","8.1752","0.0005","11.5352","0.0009","13.1045","0.001","66.989","0.007","72.978","0.006","85.535","0.005","1086.69","0.15","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 N9 O10 Yb -","- C14 H20 N9 O10 Yb -","- C28 H40 N18 O20 Yb2 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.71073","MoKα","","0.058","0.049","","","0.1587","0.1615","","","","","","1.39","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248953","10.9002","0.0006","17.0907","0.0012","19.8139","0.0008","90","","90","","90","","3691.2","0.4","295","2","295","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C25 H26 F9 Gd N10 O9 S3 -","- C25 H26 F9 Gd N10 O9 S3 -","- C100 H104 F36 Gd4 N40 O36 S12 -","4","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.7107","MoKα","","0.0652","0.0545","","","0.1502","0.1565","","","","","","1.069","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248954","8.2029","0.0007","10.4813","0.0009","12.4024","0.0007","97.826","0.006","96.891","0.006","100.152","0.007","1028.45","0.14","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H19 Dy N8 O11 -","- C12 H19 Dy N8 O11 -","- C24 H38 Dy2 N16 O22 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.7107","MoKα","","0.024","0.0214","","","0.0483","0.0494","","","","","","1.056","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248955","10.9049","0.0004","15.0238","0.0004","27.3563","0.0009","90","","100.35","0.004","90","","4408.9","0.3","100","1","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 Er F9 N10 O11 S3 -","- C27 H34 Er F9 N10 O11 S3 -","- C108 H136 Er4 F36 N40 O44 S12 -","4","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.7107","MoKα","","0.0754","0.0701","","","0.1698","0.1731","","","","","","1.124","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248956","8.24","0.0004","10.5276","0.0006","12.3755","0.0006","98.043","0.004","96.749","0.004","100.129","0.005","1035.23","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H19 N8 O11 Tb -","- C12 H19 N8 O11 Tb -","- C24 H38 N16 O22 Tb2 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","1.5418","CuKα","","0.0459","0.0451","","","0.1302","0.1313","","","","","","1.085","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248957","19.0497","0.0005","10.3198","0.0002","21.3425","0.0005","90","","102.668","0.002","90","","4093.57","0.17","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 F9 N11 O9 S3 Tb -","- C27 H26 F9 N11 O9 S3 Tb -","- C108 H104 F36 N44 O36 S12 Tb4 -","4","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","1.5418","CuKα","","0.0758","0.0688","","","0.2057","0.2111","","","","","","1.446","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248958","8.2733","0.0004","11.4426","0.0007","13.5163","0.0007","109.919","0.006","106.972","0.004","93.483","0.004","1132.21","0.12","130","1","130","1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 La N9 O10 -","- C14 H20 La N9 O10 -","- C28 H40 La2 N18 O20 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.71073","MoKα","","0.0227","0.0218","","","0.0683","0.0691","","","","","","1.118","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248959","8.1238","0.0003","10.5711","0.0007","12.636","0.0005","99.359","0.004","97.224","0.004","100.751","0.004","1038.18","0.09","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C12.5 H19 N8 O10.5 Pr -","- C12.5 H19 N8 O10.5 Pr -","- C25 H38 N16 O21 Pr2 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","x-ray","0.71073","MoKα","","0.0236","0.0226","","","0.0624","0.063","","","","","","1.08","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248960","8.9742","0.0004","14.034","0.0005","15.8971","0.0006","90","","92.838","0.004","90","","1999.69","0.14","100","1","100","1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C27 H29 F9 N11 O9 Pr S3 -","- C27 H29 F9 N11 O9 Pr S3 -","- C54 H58 F18 N22 O18 Pr2 S6 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.7107","MoKα","","0.0394","0.0368","","","0.0866","0.0897","","","","","","1.071","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248961","8.1537","0.0003","10.4239","0.0004","12.3673","0.0003","96.71","0.003","98.034","0.003","100.381","0.004","1012.84","0.06","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H19 N8 O11 Sm -","- C12 H19 N8 O11 Sm -","- C24 H38 N16 O22 Sm2 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.71073","MoKα","","0.0239","0.0207","","","0.0451","0.0462","","","","","","1.042","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248962","8.2808","0.0004","11.2432","0.0006","13.2986","0.0009","68.357","0.006","72.061","0.005","87.716","0.004","1091.08","0.12","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 Ho N9 O10 -","- C14 H20 Ho N9 O10 -","- C28 H40 Ho2 N18 O20 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","x-ray","0.71073","MoKα","","0.0284","0.0264","","","0.0641","0.0656","","","","","","1.086","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248963","18.775","0.0007","10.2574","0.0002","21.0038","0.0006","90","","101.76","0.003","90","","3960.1","0.2","120","1","120","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 F9 Ho N11 O9 S3 -","- C27 H29 F9 Ho N11 O9 S3 -","- C108 H116 F36 Ho4 N44 O36 S12 -","4","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.71073","MoKα","","0.0592","0.0531","","","0.1389","0.1409","","","","","","1.967","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248964","8.395","0.0004","12.7332","0.0006","16.9061","0.0009","71.362","0.005","80.611","0.004","76.595","0.004","1657.96","0.15","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H31 N14 O13 Tm -","- C23 H31 N14 O13 Tm -","- C46 H62 N28 O26 Tm2 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","1.5418","CuKα","","0.0607","0.0593","","","0.163","0.1643","","","","","","1.097","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248965","10.917","0.0003","14.9827","0.0003","26.8953","0.001","90","","100.184","0.003","90","","4329.9","0.2","100","1","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 Dy F9 N10 O11 S3 -","- C27 H34 Dy F9 N10 O11 S3 -","- C108 H136 Dy4 F36 N40 O44 S12 -","4","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.71073","MoKα","","0.1176","0.0867","","","0.1764","0.1831","","","","","","1.711","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248966","8.2937","0.0017","11.3355","0.0015","13.441","0.003","110.013","0.016","107.641","0.018","92.604","0.014","1115.7","0.4","130","1","130","1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 Gd N9 O10 -","- C14 H20 Gd N9 O10 -","- C28 H40 Gd2 N18 O20 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.71073","MoKα","","0.0276","0.0239","","","0.0549","0.0561","","","","","","1.046","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248967","8.1426","0.0004","10.4679","0.0008","12.4743","0.0007","98.188","0.006","97.531","0.004","100.576","0.005","1020.95","0.11","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H19 Eu N8 O11 -","- C12 H19 Eu N8 O11 -","- C24 H38 Eu2 N16 O22 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.71073","MoKα","","0.0391","0.0353","","","0.0807","0.0828","","","","","","1.074","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248968","8.3168","0.0005","11.388","0.0006","13.4939","0.0008","110.119","0.005","107.6","0.005","92.758","0.005","1127.23","0.13","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 N9 Nd O10 -","- C14 H20 N9 Nd O10 -","- C28 H40 N18 Nd2 O20 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.71073","MoKα","","0.0166","0.0156","","","0.038","0.0384","","","","","","1.083","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248969","10.7762","0.0002","17.0625","0.0002","19.6569","0.0003","90","","90","","90","","3614.29","0.1","100","1","100","1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C25 H26 F9 N10 Nd O9 S3 -","- C25 H26 F9 N10 Nd O9 S3 -","- C100 H104 F36 N40 Nd4 O36 S12 -","4","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.71073","MoKα","","0.0222","0.0214","","","0.0518","0.0524","","","","","","1.059","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248970","10.9638","0.0004","15.0249","0.0007","26.8438","0.0015","90","","99.705","0.005","90","","4358.7","0.4","100","1","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 F9 N10 O11 S3 Tb -","- C27 H34 F9 N10 O11 S3 Tb -","- C108 H136 F36 N40 O44 S12 Tb4 -","4","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.71073","MoKα","","0.1027","0.0963","","","0.2055","0.2088","","","","","","1.142","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248971","7.1754","0.0004","9.5801","0.0005","11.495","0.0006","74.019","0.005","71.999","0.005","73.388","0.005","704.82","0.07","130","1","130","1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 Br N5 O -","- C12 H18 Br N5 O -","- C24 H36 Br2 N10 O2 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","1.5418","CuKα","","0.0468","0.0464","","","0.1253","0.1258","","","","","","1.093","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248972","9.0968","0.0009","11.959","0.0008","17.1192","0.0012","86.084","0.006","75.282","0.007","83.71","0.007","1788.8","0.3","130","1","130","1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H31 Cl3 N11 O13 Tb -","- C24 H31 Cl3 N11 O13 Tb -","- C48 H62 Cl6 N22 O26 Tb2 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.7107","MoKα","","0.1362","0.0745","","","0.1365","0.1654","","","","","","0.877","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248973","23.9529","0.0011","11.3128","0.0004","9.2768","0.0004","90","","90","","90","","2513.78","0.18","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H22 Lu N9 O10 S -","- C15 H22 Lu N9 O10 S -","- C60 H88 Lu4 N36 O40 S4 -","4","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","x-ray","1.54184","CuKα","","0.0547","0.0531","","","0.1517","0.154","","","","","","1.084","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248974","13.59487","0.00017","15.49254","0.00018","17.9886","0.0003","90","","92.7582","0.0012","90","","3784.35","0.09","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 Eu F9 N10 O11 S3 -","- C25 H30 Eu F9 N10 O11 S3 -","- C100 H120 Eu4 F36 N40 O44 S12 -","4","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.7107","MoKα","","0.0393","0.0269","","","0.0517","0.0553","","","","","","1.044","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248975","6.3253","0.0013","9.2032","0.0018","10.202","0.002","64.48","0.03","74.18","0.03","78.74","0.03","513.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H10 N3 Ni O2 -","- C7.99 H10 N2.99 Ni O2 -","- C15.98 H20 N5.98 Ni2 O4 -","2","1","","Nguepmeni Eloundou, Valoise Brenda; Kenfack Tsobnang, Patrice; Kamgaing, Theophile; Gogoi, Chiranjib; Lopez-Salas, Nieves; Bourne, Susan A.","Crystal engineering and sorption studies on CN- and dipyridyl-bridged 2D coordination polymers","CrystEngComm","2024","26","31","4195","4204","10.1039/D4CE00459K","","","0.71073","MoKα","","0.0615","0.0347","","","0.0763","0.0848","","","","","","1.066","","","","has coordinates,has disorder","294522","2024-09-06","00:17:26",""
"7248976","5.9234","0.0005","9.5597","0.0008","10.2625","0.0008","114.847","0.003","96.831","0.003","95.811","0.003","516.16","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","C16 H16 Cu N6 Ni O2, C2 O","","- C18 H16 Cu N6 Ni O3 -","- C18 H16 Cu N6 Ni O3 -","- C18 H16 Cu N6 Ni O3 -","1","0.5","","Nguepmeni Eloundou, Valoise Brenda; Kenfack Tsobnang, Patrice; Kamgaing, Theophile; Gogoi, Chiranjib; Lopez-Salas, Nieves; Bourne, Susan A.","Crystal engineering and sorption studies on CN- and dipyridyl-bridged 2D coordination polymers","CrystEngComm","2024","26","31","4195","4204","10.1039/D4CE00459K","","","0.71073","MoKα","","0.0448","0.0327","","","0.0827","0.0882","","","","","","1.109","","","","has coordinates,has disorder","294522","2024-09-06","00:17:26",""
"7248977","7.3522","0.0007","10.6585","0.001","10.8591","0.001","103.317","0.003","104.368","0.004","104.813","0.003","756.72","0.13","150","2","150","2","","","","","","","","4","P 1","P 1","1","md_hc11","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C38 H32 N4 O4 -","2","2","","Fu, Meitian; Li, Jingpeng; Zhang, Zhou; Wan, Juan; Yuan, Minglong; Huang, Chao","One-pot FeCl3-catalyzed sustainable synthesis of pyrimidines using ammonium iodide, aldehydes and alkyl lactate as raw materials","Green Chemistry","2024","26","15","8854","8860","10.1039/D4GC02655A","","","1.54178","CuKα","","0.2791","0.2662","","","0.561","0.5743","","","","","","2.665","","","","has coordinates","293879","2024-08-05","19:36:53",""
"7248978","9.1191","0.0003","12.1448","0.0007","12.1551","0.0006","76.174","0.004","80.698","0.003","87.947","0.003","1289.97","0.11","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H36 O8 S Si -","- C23 H36 O8 S Si -","- C46 H72 O16 S2 Si2 -","2","1","","Yu, Fangzhou; Xu, Liang","A concise and stereoselective synthesis of the BCDF tetracyclic ring system of C19-diterpenoid alkaloids","RSC Advances","2024","14","29","21102","21106","10.1039/D4RA02821J","","x-ray","0.71073","MoKα","","0.1343","0.0922","","","0.2675","0.3068","","","","","","1.058","","","","has coordinates","292746","2024-07-05","01:16:01",""
"7248979","13.342","0.0009","8.2734","0.0006","11.9648","0.0008","90","","90","","90","","1320.72","0.16","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H13 Cl4 Ga N3 P -","- C6 H13 Cl4 Ga N3 P -","- C24 H52 Cl16 Ga4 N12 P4 -","4","0.5","","Guerriero, Antonella; Ienco, Andrea; Hicks, Thomas; Cilibrizzi, Agostino","Beyond transition block metals: exploring the reactivity of phosphine PTA and its oxide [PTA(O)] towards gallium(iii)","RSC Advances","2024","14","29","21139","21150","10.1039/D4RA02877E","","","1.54178","CuKα","","0.0251","0.0229","","","0.06","0.0603","","","","","","1.102","","","","has coordinates","292747","2024-07-05","01:16:26",""
"7248980","13.7699","0.001","8.1328","0.0006","12.1428","0.0009","90","","90","","90","","1359.85","0.17","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C6 H13 Cl4 Ga N3 O P -","- C6 H13 Cl4 Ga N3 O P -","- C24 H52 Cl16 Ga4 N12 O4 P4 -","4","0.5","","Guerriero, Antonella; Ienco, Andrea; Hicks, Thomas; Cilibrizzi, Agostino","Beyond transition block metals: exploring the reactivity of phosphine PTA and its oxide [PTA(O)] towards gallium(iii)","RSC Advances","2024","14","29","21139","21150","10.1039/D4RA02877E","","","1.54178","CuKα","","0.0424","0.0409","","","0.1108","0.1113","","","","","","1.077","","","","has coordinates","292747","2024-07-05","01:16:27",""
"7248981","7.8486","0.0003","9.6385","0.0003","12.779","0.0004","90","","91.652","0.001","90","","966.31","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H13 I N3 O P -","- C6 H13 I N3 O P -","- C24 H52 I4 N12 O4 P4 -","4","1","","Guerriero, Antonella; Ienco, Andrea; Hicks, Thomas; Cilibrizzi, Agostino","Beyond transition block metals: exploring the reactivity of phosphine PTA and its oxide [PTA(O)] towards gallium(iii)","RSC Advances","2024","14","29","21139","21150","10.1039/D4RA02877E","","","0.71073","MoKα","","0.0205","0.0159","","","0.0319","0.0334","","","","","","1.039","","","","has coordinates","292747","2024-07-05","01:16:27",""
"7248982","8.7742","0.0009","9.1629","0.0009","10.6026","0.001","86.044","0.008","88.978","0.008","65.694","0.009","774.96","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-methoxy-6,6-dimethyl-2-(4-nitrophenyl)-3,5,6,7-tetrahydro-4H-benzo[d]imidazol-4-one","","- C16 H17 N3 O4 -","- C16 H17 N3 O4 -","- C32 H34 N6 O8 -","2","1","","Basanova, Elizaveta Ivanovna; Kulikova, Ekaterina; Bormotov, Nikolai I.; Serova, Olga; Shishkina, Larisa; Ovchinnikova, Alyona; Odnoshevskiy, Dmitry; Pyankov, Oleg; Agafonov, Alexander; Yarovaya, Olga; Borisevich, Sophia; Ilyina, Margarita; Kolybalov, Dmitry; Arkhipov, Sergey; Bogdanov, Nikita; Pavlova, Marina A.; Salakhutdinov, Nariman; Perevalov, Valery P.; Nikitina, Polina A.","2-Aryl-1-hydroxyimidazoles possessing antiviral activity against wide range of orthopoxviruses including Variola virus.","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00181H","","","0.71073","MoKα","","0.0513","0.0399","","","0.1072","0.1137","","","","","","1.046","","","","has coordinates","293315","2024-07-09","00:04:58",""
"7248983","5.826","0.0013","25.78","0.003","11.897","0.003","90","","122.66","0.03","90","","1504.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 F3 N2 O2 -","- C16 H15 F3 N2 O2 -","- C64 H60 F12 N8 O8 -","4","1","","Basanova, Elizaveta Ivanovna; Kulikova, Ekaterina; Bormotov, Nikolai I.; Serova, Olga; Shishkina, Larisa; Ovchinnikova, Alyona; Odnoshevskiy, Dmitry; Pyankov, Oleg; Agafonov, Alexander; Yarovaya, Olga; Borisevich, Sophia; Ilyina, Margarita; Kolybalov, Dmitry; Arkhipov, Sergey; Bogdanov, Nikita; Pavlova, Marina A.; Salakhutdinov, Nariman; Perevalov, Valery P.; Nikitina, Polina A.","2-Aryl-1-hydroxyimidazoles possessing antiviral activity against wide range of orthopoxviruses including Variola virus.","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00181H","","","0.71073","MoKα","","0.1079","0.0836","","","0.2347","0.2493","","","","","","1.058","","","","has coordinates,has disorder","293315","2024-07-09","00:04:59",""
"7248984","6.2902","0.0006","7.3546","0.0007","12.9978","0.0011","85.35","0.007","88.976","0.007","83.526","0.007","595.48","0.1","295","4","295","4","","","","","","","","4","P -1","-P 1","2","","1-(1-hydroxy-4-methyl-2-(4-nitrophenyl)-4,5-dihydro-1H-imidazol-5-yl)ethan-1-one","","- C12 H11 N3 O4 -","- C12 H11 N3 O4 -","- C24 H22 N6 O8 -","2","1","","Basanova, Elizaveta Ivanovna; Kulikova, Ekaterina; Bormotov, Nikolai I.; Serova, Olga; Shishkina, Larisa; Ovchinnikova, Alyona; Odnoshevskiy, Dmitry; Pyankov, Oleg; Agafonov, Alexander; Yarovaya, Olga; Borisevich, Sophia; Ilyina, Margarita; Kolybalov, Dmitry; Arkhipov, Sergey; Bogdanov, Nikita; Pavlova, Marina A.; Salakhutdinov, Nariman; Perevalov, Valery P.; Nikitina, Polina A.","2-Aryl-1-hydroxyimidazoles possessing antiviral activity against wide range of orthopoxviruses including Variola virus.","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00181H","","","0.71073","MoKα","","0.0721","0.0488","","","0.1286","0.1401","","","","","","1.028","","","","has coordinates","293315","2024-07-09","00:04:59",""
"7248985","15.723","0.0016","14.3769","0.0009","23.665","0.002","90","","105.339","0.01","90","","5158.9","0.8","295","4","295","4","","","","","","","","5","I 1 a 1","I -2ya","9","","1-(1-hydroxy-4-methyl-2-(4-(trifluoromethyl)phenyl)-1H-imidazol-5-yl)ethan-1-one 4-acetyl-5-methyl-2-(4-(trifluoromethyl)phenyl)-1H-imidazole 3-oxide","","- C13 H11 F3 N2 O2 -","- C13 H11 F3 N2 O2 -","- C208 H176 F48 N32 O32 -","16","4","","Basanova, Elizaveta Ivanovna; Kulikova, Ekaterina; Bormotov, Nikolai I.; Serova, Olga; Shishkina, Larisa; Ovchinnikova, Alyona; Odnoshevskiy, Dmitry; Pyankov, Oleg; Agafonov, Alexander; Yarovaya, Olga; Borisevich, Sophia; Ilyina, Margarita; Kolybalov, Dmitry; Arkhipov, Sergey; Bogdanov, Nikita; Pavlova, Marina A.; Salakhutdinov, Nariman; Perevalov, Valery P.; Nikitina, Polina A.","2-Aryl-1-hydroxyimidazoles possessing antiviral activity against wide range of orthopoxviruses including Variola virus.","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00181H","","","0.71073","MoKα","","0.0993","0.0515","","","0.1119","0.1299","","","","","","1.001","","","","has coordinates,has disorder","293315","2024-07-09","00:04:59",""
"7248986","9.7912","0.0006","11.5563","0.0009","12.0456","0.0008","91.342","0.006","101.399","0.005","97.183","0.006","1323.97","0.16","295","4","295","4","","","","","","","","5","P -1","-P 1","2","","1-(1-hydroxy-4-methyl-2-(4-(trifluoromethyl)phenyl)-1H-imidazol-5-yl)ethan-1-one 4-acetyl-5-methyl-2-(4-(trifluoromethyl)phenyl)-1H-imidazole 3-oxide hydrate","","- C26 H24 F6 N4 O5 -","- C26 H24 F6 N4 O5 -","- C52 H48 F12 N8 O10 -","2","1","","Basanova, Elizaveta Ivanovna; Kulikova, Ekaterina; Bormotov, Nikolai I.; Serova, Olga; Shishkina, Larisa; Ovchinnikova, Alyona; Odnoshevskiy, Dmitry; Pyankov, Oleg; Agafonov, Alexander; Yarovaya, Olga; Borisevich, Sophia; Ilyina, Margarita; Kolybalov, Dmitry; Arkhipov, Sergey; Bogdanov, Nikita; Pavlova, Marina A.; Salakhutdinov, Nariman; Perevalov, Valery P.; Nikitina, Polina A.","2-Aryl-1-hydroxyimidazoles possessing antiviral activity against wide range of orthopoxviruses including Variola virus.","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00181H","","","0.71073","MoKα","","0.074","0.0559","","","0.1513","0.1629","","","","","","1.057","","","","has coordinates,has disorder","293315","2024-07-09","00:05:00",""
"7248987","13.6508","0.0011","6.936","0.0008","12.6244","0.0012","90","","93.35","0.008","90","","1193.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(5-acetyl-1-hydroxy-4-methyl-1H-imidazol-2-yl)benzonitrile","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C52 H44 N12 O8 -","4","1","","Basanova, Elizaveta Ivanovna; Kulikova, Ekaterina; Bormotov, Nikolai I.; Serova, Olga; Shishkina, Larisa; Ovchinnikova, Alyona; Odnoshevskiy, Dmitry; Pyankov, Oleg; Agafonov, Alexander; Yarovaya, Olga; Borisevich, Sophia; Ilyina, Margarita; Kolybalov, Dmitry; Arkhipov, Sergey; Bogdanov, Nikita; Pavlova, Marina A.; Salakhutdinov, Nariman; Perevalov, Valery P.; Nikitina, Polina A.","2-Aryl-1-hydroxyimidazoles possessing antiviral activity against wide range of orthopoxviruses including Variola virus.","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00181H","","","0.71073","MoKα","","0.0745","0.0484","","","0.1284","0.1411","","","","","","1.045","","","","has coordinates","293315","2024-07-09","00:05:00",""
"7248988","5.7707","0.0009","24.525","0.003","10.1461","0.0017","90","","93.696","0.017","90","","1433","0.4","298","4","298","4","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(4-cyanophenyl)-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-benzo[d]imidazole 3-oxide","","- C16 H15 N3 O2 -","- C16 H15 N3 O2 -","- C64 H60 N12 O8 -","4","1","","Basanova, Elizaveta Ivanovna; Kulikova, Ekaterina; Bormotov, Nikolai I.; Serova, Olga; Shishkina, Larisa; Ovchinnikova, Alyona; Odnoshevskiy, Dmitry; Pyankov, Oleg; Agafonov, Alexander; Yarovaya, Olga; Borisevich, Sophia; Ilyina, Margarita; Kolybalov, Dmitry; Arkhipov, Sergey; Bogdanov, Nikita; Pavlova, Marina A.; Salakhutdinov, Nariman; Perevalov, Valery P.; Nikitina, Polina A.","2-Aryl-1-hydroxyimidazoles possessing antiviral activity against wide range of orthopoxviruses including Variola virus.","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00181H","","","0.71073","MoKα","","0.1159","0.059","","","0.1405","0.1615","","","","","","1.039","","","","has coordinates","293315","2024-07-09","00:05:00",""
"7248989","9.339","0.002","13.222","0.002","18.311","0.004","78.539","0.016","77.793","0.019","77.049","0.017","2126.4","0.8","295","4","295","4","","","","","","","","5","P -1","-P 1","2","","3-((2-bromobenzyl)oxy)-6,6-dimethyl-2-(4-nitrophenyl)-3,5,6,7-tetrahydro-4H-benzo[d]imidazol-4-one","","- C22 H20 Br N3 O4 -","- C22 H20 Br N3 O4 -","- C88 H80 Br4 N12 O16 -","4","2","","Basanova, Elizaveta Ivanovna; Kulikova, Ekaterina; Bormotov, Nikolai I.; Serova, Olga; Shishkina, Larisa; Ovchinnikova, Alyona; Odnoshevskiy, Dmitry; Pyankov, Oleg; Agafonov, Alexander; Yarovaya, Olga; Borisevich, Sophia; Ilyina, Margarita; Kolybalov, Dmitry; Arkhipov, Sergey; Bogdanov, Nikita; Pavlova, Marina A.; Salakhutdinov, Nariman; Perevalov, Valery P.; Nikitina, Polina A.","2-Aryl-1-hydroxyimidazoles possessing antiviral activity against wide range of orthopoxviruses including Variola virus.","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00181H","","","0.71073","MoKα","","0.2227","0.0895","","","0.2353","0.2957","","","","","","1.018","","","","has coordinates","293315","2024-07-09","00:05:01",""
"7248990","8.6998","0.0004","13.2495","0.0005","18.6513","0.0008","90","","98.923","0.004","90","","2123.88","0.16","149.99","0.1","149.99","0.1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C20 H20 Cu2 I2 N2 O2 -","- C20 H20 Cu2 I2 N2 O2 -","- C80 H80 Cu8 I8 N8 O8 -","4","1","","Mojica, R.; Vázquez, M C; Torres, A. E.; Avila, Y.; Borja-Urby, R; Rodríguez-Hernández, J; Reguera, E.","A first principles study of the electronic structure and optical response of heterobimetallic M-dicyanoaurate-based coordination polymers (M = Mn, Co, Ni, Zn and Cd).","Physical chemistry chemical physics : PCCP","2024","26","30","20576","20584","10.1039/d4cp01714e","","x-ray","1.54184","CuKα","","0.0346","0.034","","","0.0874","0.0883","","","","","","1.059","","","","has coordinates","293944","2024-08-05","20:06:52",""
"7248991","6.8645","0.0003","6.8645","0.0003","8.2138","0.0002","90","","90","","120","","335.19","0.02","300","","300","","","","","","","","","5","P 3 1 2","P 3 2","149","","Potassium Cadmium Tris(Dicyanoaurate)","","- C6 Au3 Cd K N6 -","- C6 Au3 Cd K N6 -","- C6 Au3 Cd K N6 -","1","0.166667","","Mojica, R.; Vázquez, M C; Torres, A. E.; Avila, Y.; Borja-Urby, R; Rodríguez-Hernández, J; Reguera, E.","A first principles study of the electronic structure and optical response of heterobimetallic M-dicyanoaurate-based coordination polymers (M = Mn, Co, Ni, Zn and Cd).","Physical chemistry chemical physics : PCCP","2024","26","30","20576","20584","10.1039/d4cp01714e","powder diffraction","","","CuKa","","","","","","","","","35.0194","1.564","","","","","","","has coordinates","293944","2024-08-05","20:06:53",""
"7248992","37.2565","0.001","37.2565","0.001","9.6925","0.0003","90","","90","","120","","11651.2","0.6","114","2","114","","","","","","","","","4","R -3 :H","-R 3","148","SR47436-A","","","- C25 H28 N6 O -","- C25 H28 N6 O -","- C450 H504 N108 O18 -","18","1","","Ochsenbein, Philippe; Bonin, Michel; Fadaei-Tirani, Farzaneh; Lemée, Marie-Hélène; Kieffer, Jérôme; Görl, Daniel; El-Hajji, Mohamed; Schenk-Joß, Kurt","A score and nine years of irbesartan","CrystEngComm","2024","26","34","4566","4578","10.1039/D3CE01172K","","","1.54178","CuKα","","0.0524","0.0445","","","0.118","0.1241","","","","","","1.055","","","","has coordinates,has disorder","294533","2024-09-06","00:21:02",""
"7248993","37.3328","0.0005","37.3328","0.0005","9.7877","0.0002","90","","90","","120","","11813.9","0.3","231","1","231","1","","","","","","","","4","R -3 :H","-R 3","148","SR47436-A","","","- C25 H28 N6 O -","- C25 H28 N6 O -","- C450 H504 N108 O18 -","18","1","","Ochsenbein, Philippe; Bonin, Michel; Fadaei-Tirani, Farzaneh; Lemée, Marie-Hélène; Kieffer, Jérôme; Görl, Daniel; El-Hajji, Mohamed; Schenk-Joß, Kurt","A score and nine years of irbesartan","CrystEngComm","2024","26","34","4566","4578","10.1039/D3CE01172K","","","1.54178","CuKα","","0.0423","0.0365","","","0.0979","0.1021","","","","","","1.061","","","","has coordinates,has disorder","294533","2024-09-06","00:21:02",""
"7248994","37.2454","0.0008","37.2454","0.0008","9.65133","0.00017","90","","90","","120","","11594.8","0.4","89.9","0.6","89.9","0.6","","","","","","","","4","R -3 :H","-R 3","148","","","","- C25 H28 N6 O -","- C25 H28 N6 O -","- C450 H504 N108 O18 -","18","1","","Ochsenbein, Philippe; Bonin, Michel; Fadaei-Tirani, Farzaneh; Lemée, Marie-Hélène; Kieffer, Jérôme; Görl, Daniel; El-Hajji, Mohamed; Schenk-Joß, Kurt","A score and nine years of irbesartan","CrystEngComm","2024","26","34","4566","4578","10.1039/D3CE01172K","","x-ray","1.54184","CuKα","","0.0641","0.0455","","","0.0956","0.1027","","","","","","1.02","","","","has coordinates,has disorder","294533","2024-09-06","00:21:02",""
"7248995","37.4596","0.0007","37.4596","0.0007","9.8361","0.0002","90","","90","","120","","11953.1","0.4","293","1","293","1","","","","","","","","4","R -3 :H","-R 3","148","SR47436-A","","","- C25 H28 N6 O -","- C25 H28 N6 O -","- C450 H504 N108 O18 -","18","1","","Ochsenbein, Philippe; Bonin, Michel; Fadaei-Tirani, Farzaneh; Lemée, Marie-Hélène; Kieffer, Jérôme; Görl, Daniel; El-Hajji, Mohamed; Schenk-Joß, Kurt","A score and nine years of irbesartan","CrystEngComm","2024","26","34","4566","4578","10.1039/D3CE01172K","","","1.54178","CuKα","","0.0462","0.0407","","","0.117","0.1229","","","","","","1.039","","","","has coordinates,has disorder","294533","2024-09-06","00:21:02",""
"7248996","37.2565","0.001","37.2565","0.001","9.6925","0.0003","90","","90","","120","","11651.2","0.6","114","2","114","","","","","","","","","4","R -3 :H","-R 3","148","SR47436-A","","","- C25 H30 N6 O2 -","- C25 H28 N6 O1.997 -","- C450 H504 N108 O35.946 -","18","1","","Ochsenbein, Philippe; Bonin, Michel; Fadaei-Tirani, Farzaneh; Lemée, Marie-Hélène; Kieffer, Jérôme; Görl, Daniel; El-Hajji, Mohamed; Schenk-Joß, Kurt","A score and nine years of irbesartan","CrystEngComm","2024","26","34","4566","4578","10.1039/D3CE01172K","","","1.54178","CuKα","","0.0526","0.0436","","","0.1129","0.12","","","","","","1.05","","","","has coordinates,has disorder","294533","2024-09-06","00:21:02",""
"7248997","37.2303","0.0004","37.2303","0.0004","9.7085","0.0001","90","","90","","120","","11654","0.2","114","1","114","","","","","","","","","4","R -3 :H","-R 3","148","SR47436-A","","","- C25 H28 N6 O -","- C25 H28 N6 O -","- C450 H504 N108 O18 -","18","1","","Ochsenbein, Philippe; Bonin, Michel; Fadaei-Tirani, Farzaneh; Lemée, Marie-Hélène; Kieffer, Jérôme; Görl, Daniel; El-Hajji, Mohamed; Schenk-Joß, Kurt","A score and nine years of irbesartan","CrystEngComm","2024","26","34","4566","4578","10.1039/D3CE01172K","","","1.54178","CuKα","","0.0706","0.0448","","","0.0985","0.1146","","","","","","1.026","","","","has coordinates,has disorder","294533","2024-09-06","00:21:02",""
"7248998","5.8251","0.0006","15.5339","0.0018","5.9792","0.0008","90","","100.851","0.012","90","","531.36","0.11","99.98","0.1","99.98","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","perfluoroazopyridine","","- C10 F8 N4 -","- C10 F8 N4 -","- C20 F16 N8 -","2","0.5","","Loya, Jesus Daniel; Agarwal, Sidhaesh A.; Lutz, Nicholas; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo","Co-crystal formation vs. boron coordination: fluorination in azopyridines regulates supramolecular competition","CrystEngComm","2024","26","30","4017","4021","10.1039/D4CE00611A","","x-ray","0.71073","MoKα","","0.0998","0.0517","","","0.1036","0.1206","","","","","","1.031","","","","has coordinates","293803","2024-08-05","18:30:02",""
"7248999","7.0434","0.0004","12.8068","0.0007","16.0013","0.0009","90","","98.123","0.005","90","","1428.89","0.14","100","0.6","100","0.6","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3,5-difluoroazopyiridine adduct of phenylboronic acid catechol ester","","- C34 H22 B2 F4 N4 O4 -","- C34 H22 B2 F4 N4 O4 -","- C68 H44 B4 F8 N8 O8 -","2","0.5","","Loya, Jesus Daniel; Agarwal, Sidhaesh A.; Lutz, Nicholas; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo","Co-crystal formation vs. boron coordination: fluorination in azopyridines regulates supramolecular competition","CrystEngComm","2024","26","30","4017","4021","10.1039/D4CE00611A","","x-ray","0.71073","MoKα","","0.0755","0.0446","","","0.0997","0.1104","","","","","","0.978","","","","has coordinates","293803","2024-08-05","18:30:02",""
"7249000","5.0686","0.0006","5.1891","0.0007","18.59","0.002","90","","90.109","0.012","90","","488.94","0.1","99.9","0.7","99.9","0.7","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5-difluoroazopyridine","","- C10 H4 F4 N4 -","- C10 H4 F4 N4 -","- C20 H8 F8 N8 -","2","0.5","","Loya, Jesus Daniel; Agarwal, Sidhaesh A.; Lutz, Nicholas; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo","Co-crystal formation vs. boron coordination: fluorination in azopyridines regulates supramolecular competition","CrystEngComm","2024","26","30","4017","4021","10.1039/D4CE00611A","","x-ray","0.71073","MoKα","","0.0565","0.0478","","","0.1287","0.1351","","","","","","1.107","","","","has coordinates","293803","2024-08-05","18:30:02",""
"7249001","6.8631","0.0002","13.149","0.0003","15.7054","0.0004","90","","99.615","0.003","90","","1397.39","0.06","99.9","0.6","99.9","0.6","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","phneylboronicacid catechol ester adduct of 4,4'-bipyridine","","- C34 H26 B2 N4 O4 -","- C34 H26 B2 N4 O4 -","- C68 H52 B4 N8 O8 -","2","0.5","","Loya, Jesus Daniel; Agarwal, Sidhaesh A.; Lutz, Nicholas; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo","Co-crystal formation vs. boron coordination: fluorination in azopyridines regulates supramolecular competition","CrystEngComm","2024","26","30","4017","4021","10.1039/D4CE00611A","","x-ray","0.71073","MoKα","","0.0669","0.0543","","","0.1366","0.1442","","","","","","1.039","","","","has coordinates,has disorder","293803","2024-08-05","18:30:02",""
"7249002","6.2144","0.0012","7.2948","0.0013","11.7785","0.0017","81.392","0.013","77.89","0.015","85.14","0.016","515.4","0.16","99.9","0.5","99.9","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C22 H9 B F8 N4 O2 -","- C22 H9 B F8 N4 O2 -","- C22 H9 B F8 N4 O2 -","1","0.5","","Loya, Jesus Daniel; Agarwal, Sidhaesh A.; Lutz, Nicholas; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo","Co-crystal formation vs. boron coordination: fluorination in azopyridines regulates supramolecular competition","CrystEngComm","2024","26","30","4017","4021","10.1039/D4CE00611A","","x-ray","0.71073","MoKα","","0.0827","0.0544","","","0.1403","0.1614","","","","","","1.013","","","","has coordinates,has disorder","293803","2024-08-05","18:30:02",""
"7249003","6.871","0.0003","13.0541","0.0006","15.9373","0.0007","90","","97.627","0.004","90","","1416.85","0.11","99.9","0.6","99.9","0.6","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-fluoroazopyridine adduct of phenylboronic acid catechol ester","","- C34 H24 B2 F2 N4 O4 -","- C34 H24 B2 F2 N4 O4 -","- C68 H48 B4 F4 N8 O8 -","2","0.5","","Loya, Jesus Daniel; Agarwal, Sidhaesh A.; Lutz, Nicholas; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo","Co-crystal formation vs. boron coordination: fluorination in azopyridines regulates supramolecular competition","CrystEngComm","2024","26","30","4017","4021","10.1039/D4CE00611A","","x-ray","0.71073","MoKα","","0.0637","0.0508","","","0.1356","0.1436","","","","","","1.049","","","","has coordinates","293803","2024-08-05","18:30:02",""
"7249004","21.2883","0.0013","7.9852","0.0004","15.3182","0.0008","90","","108.751","0.006","90","","2465.8","0.2","99.99","","99.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H7 Cl3 Hg N4 -","- C8 H7 Cl3 Hg N4 -","- C64 H56 Cl24 Hg8 N32 -","8","1","","Panda, Subhra Jyoti; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar","Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines","CrystEngComm","2024","26","33","4418","4430","10.1039/D4CE00341A","","x-ray","1.54184","CuKα","","0.0614","0.0557","","","0.1531","0.1629","","","","","","1.12","","","","has coordinates","294518","2024-09-06","00:15:59",""
"7249005","13.1765","0.0004","10.5309","0.0004","14.9341","0.0004","90","","90","","90","","2072.26","0.12","99.97","0.1","99.97","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H5 Cl3 Hg N4 -","- C6 H5 Cl3 Hg N4 -","- C48 H40 Cl24 Hg8 N32 -","8","1","","Panda, Subhra Jyoti; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar","Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines","CrystEngComm","2024","26","33","4418","4430","10.1039/D4CE00341A","","x-ray","1.54184","CuKα","","0.0595","0.0562","","","0.1512","0.1546","","","","","","1.09","","","","has coordinates","294518","2024-09-06","00:15:59",""
"7249006","13.7616","0.0005","13.875","0.0003","17.3043","0.0007","90","","112.316","0.005","90","","3056.7","0.2","295.9","0.1","295.9","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 H9 Cd Cl3 N4 -","- C12 H9 Cd Cl3 N4 -","- C96 H72 Cd8 Cl24 N32 -","8","1","","Panda, Subhra Jyoti; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar","Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines","CrystEngComm","2024","26","33","4418","4430","10.1039/D4CE00341A","","","1.54184","CuKα","","0.0559","0.0475","","","0.1317","0.138","","","","","","1.056","","","","has coordinates,has disorder","294518","2024-09-06","00:15:59",""
"7249007","14.6958","0.0004","8.2297","0.0002","13.5675","0.0003","90","","101.382","0.003","90","","1608.61","0.07","294.97","0.1","294.97","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cl8 Hg3 N8 -","- C24 H18 Cl8 Hg3 N8 -","- C48 H36 Cl16 Hg6 N16 -","2","0.5","","Panda, Subhra Jyoti; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar","Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines","CrystEngComm","2024","26","33","4418","4430","10.1039/D4CE00341A","","x-ray","1.54184","CuKα","","0.0553","0.049","","","0.132","0.1362","","","","","","1.077","","","","has coordinates","294518","2024-09-06","00:15:59",""
"7249008","14.6036","0.0006","10.4826","0.0003","14.0963","0.0006","90","","114.117","0.005","90","","1969.56","0.15","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C6 H5 Cd Cl3 N4 -","- C6 H5 Cd Cl3 N4 -","- C48 H40 Cd8 Cl24 N32 -","8","1","","Panda, Subhra Jyoti; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar","Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines","CrystEngComm","2024","26","33","4418","4430","10.1039/D4CE00341A","","x-ray","1.54184","CuKα","","0.0527","0.0504","","","0.137","0.1398","","","","","","1.043","","","","has coordinates","294518","2024-09-06","00:15:59",""
"7249009","7.8207","0.0002","11.482","0.0002","12.1835","0.0003","107.838","0.002","95.257","0.002","94.091","0.002","1031.35","0.04","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Cl4 N8 Zn -","- C16 H14 Cl4 N8 Zn -","- C32 H28 Cl8 N16 Zn2 -","2","1","","Panda, Subhra Jyoti; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar","Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines","CrystEngComm","2024","26","33","4418","4430","10.1039/D4CE00341A","","x-ray","0.71073","MoKα","","0.0281","0.0255","","","0.0615","0.0624","","","","","","1.039","","","","has coordinates","294518","2024-09-06","00:15:59",""
"7249010","7.9194","0.0005","11.28","0.0007","14.7285","0.0005","102.283","0.004","92.67","0.004","110.237","0.006","1195.82","0.13","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Cd2 Cl6 N8 -","- C16 H14 Cd2 Cl6 N8 -","- C32 H28 Cd4 Cl12 N16 -","2","1","","Panda, Subhra Jyoti; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar","Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines","CrystEngComm","2024","26","33","4418","4430","10.1039/D4CE00341A","","x-ray","1.54184","CuKα","","0.0788","0.0659","","","0.1701","0.1809","","","","","","1.066","","","","has coordinates","294518","2024-09-06","00:15:59",""
"7249011","6.9888","0.0002","10.2584","0.0004","18.2501","0.0006","102.553","0.003","90.641","0.003","108.11","0.003","1209.5","0.08","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 Cl5 N12 Zn -","- C18 H15 Cl5 N12 Zn -","- C36 H30 Cl10 N24 Zn2 -","2","1","","Panda, Subhra Jyoti; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar","Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines","CrystEngComm","2024","26","33","4418","4430","10.1039/D4CE00341A","","x-ray","0.71073","MoKα","","0.0513","0.0367","","","0.0774","0.0822","","","","","","1.046","","","","has coordinates","294518","2024-09-06","00:15:59",""
"7249012","9.932","0.0002","14.3027","0.0003","19.3085","0.0004","90.232","0.002","96.974","0.002","92.585","0.002","2719.67","0.1","260.89","","260.89","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H36 Cl7.91 N16 Zn2 -","- C48 H36 Cl7.917 N16 Zn2 -","- C96 H72 Cl15.834 N32 Zn4 -","2","1","","Panda, Subhra Jyoti; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar","Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines","CrystEngComm","2024","26","33","4418","4430","10.1039/D4CE00341A","","","1.54184","CuKα","","0.0842","0.0699","","","0.2139","0.2295","","","","","","1.06","","","","has coordinates","294518","2024-09-06","00:15:59",""
"7249013","9.1407","0.0002","9.6712","0.0003","10.5728","0.0002","83.925","0.002","86.217","0.002","65.675","0.003","846.64","0.04","295","0.1","295","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C13 H5 F3 I3 N O S -","- C13 H5 F3 I3 N O S -","- C26 H10 F6 I6 N2 O2 S2 -","2","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.0456","0.0341","","","0.086","0.0907","","","","","","1.071","","","","has coordinates,has disorder","294525","2024-09-06","00:18:26",""
"7249014","9.0215","0.0011","5.9752","0.0006","16.633","0.002","90","","102.764","0.012","90","","874.45","0.18","295","","295","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H9 F4 I2 N O -","- C16 H9 F4 I2 N O -","- C32 H18 F8 I4 N2 O2 -","2","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.0558","0.0368","","","0.0706","0.0815","","","","","","1.024","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249015","5.8434","0.0003","9.8958","0.0004","10.8439","0.0005","68.788","0.004","84.873","0.004","75.319","0.004","565.48","0.05","294.98","0.1","294.98","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C20 H10 F4 I2 N2 O2 S2 -","- C20 H10 F4 I2 N2 O2 S2 -","- C20 H10 F4 I2 N2 O2 S2 -","1","0.5","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.0411","0.0305","","","0.0785","0.0843","","","","","","1.044","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249016","4.9988","0.0003","17.71","0.0008","19.4968","0.001","90","","95.15","0.005","90","","1719.06","0.16","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H6 F3 I3 N2 O -","- C14 H6 F3 I3 N2 O -","- C56 H24 F12 I12 N8 O4 -","4","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.0699","0.0556","","","0.1144","0.1214","","","","","","1.181","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249017","5.9978","0.0001","7.774","0.0002","32.974","0.0007","90","","90","","90","","1537.48","0.06","169.99","0.1","169.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","3-pyridyloxazole 2,4,5,6-tetrafluoro-1,3-diiodobenzene","","- C14 H6 F4 I2 N2 O -","- C14 H6 F4 I2 N2 O -","- C56 H24 F16 I8 N8 O4 -","4","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","x-ray","0.71073","MoKα","","0.0198","0.0187","","","0.0361","0.0364","","","","","","1.03","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249018","7.3099","0.0005","12.9537","0.0011","26.1341","0.0015","90","","90.842","0.006","90","","2474.4","0.3","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H6 F8 I4 N2 O -","- C20 H6 F8 I4 N2 O -","- C80 H24 F32 I16 N8 O4 -","4","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.1232","0.0748","","","0.1647","0.1927","","","","","","1.065","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249019","17.6258","0.0002","4.7248","0.0001","22.8559","0.0003","90","","97.24","0.001","90","","1888.23","0.05","295","","295","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H9 F3 I3 N O -","- C16 H9 F3 I3 N O -","- C64 H36 F12 I12 N4 O4 -","4","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.0435","0.0417","","","0.1212","0.1233","","","","","","1.032","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249020","29.7446","0.0014","8.7558","0.0002","24.0108","0.0011","90","","127.927","0.007","90","","4932.6","0.6","170","0.1","170","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","phen-ox_14tfib_2","","- C21 H7 F8 I4 N O -","- C21 H7 F8 I4 N O -","- C168 H56 F64 I32 N8 O8 -","8","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","x-ray","0.71073","MoKα","","0.033","0.0249","","","0.0497","0.0519","","","","","","1.01","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249021","8.1546","0.0005","5.9866","0.0003","16.616","0.0007","90","","97.011","0.005","90","","805.1","0.07","295","","295","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H7 F4 I2 N O -","- C15 H7 F4 I2 N O -","- C30 H14 F8 I4 N2 O2 -","2","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.0491","0.0356","","","0.0923","0.1009","","","","","","0.99","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249022","9.1993","0.0004","9.7631","0.0004","10.5954","0.0003","84.563","0.003","85.979","0.003","65.091","0.004","858.73","0.06","298.09","0.1","298.09","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C15 H7 F3 I3 N O -","- C15 H7 F3 I3 N O -","- C30 H14 F6 I6 N2 O2 -","2","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.0541","0.0405","","","0.1049","0.1126","","","","","","1.04","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249023","8.1512","0.0003","9.2659","0.0004","11.0875","0.0004","103.811","0.003","95.582","0.003","101.302","0.003","788.26","0.06","169.99","0.1","169.99","0.1","","","","","","","","6","P -1","-P 1","2","","phox_13tfib","","- C15 H7 F4 I2 N O -","- C15 H7 F4 I2 N O -","- C30 H14 F8 I4 N2 O2 -","2","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","x-ray","0.71073","MoKα","","0.0361","0.0276","","","0.0542","0.0565","","","","","","1.043","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249024","17.9765","0.0013","12.865","0.0013","13.6805","0.001","90","","90","","90","","3163.9","0.5","295","","295","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H6 F4 I2 N2 O -","- C14 H6 F4 I2 N2 O -","- C112 H48 F32 I16 N16 O8 -","8","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.1022","0.0657","","","0.1622","0.204","","","","","","1.074","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249025","4.9443","0.0002","17.6264","0.0006","21.809","0.0009","90","","96.092","0.004","90","","1889.93","0.13","298.14","0.1","298.14","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C15 H6 F3 I3 N2 O3 -","- C15 H6 F3 I3 N2 O3 -","- C60 H24 F12 I12 N8 O12 -","4","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.0331","0.0302","","","0.0732","0.0748","","","","","","1.073","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249026","5.7685","0.0005","16.8433","0.0009","7.9199","0.0005","90","","97.137","0.007","90","","763.54","0.09","295","","295","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H5 F4 I2 N O2 -","- C13 H5 F4 I2 N O2 -","- C26 H10 F8 I4 N2 O4 -","2","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.0603","0.0428","","","0.0683","0.0777","","","","","","1.009","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249027","11.7125","0.0004","8.7742","0.0003","22.06","0.0008","90","","98.273","0.003","90","","2243.47","0.14","169.99","0.1","169.99","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","benz[b]oxazole","","- C7 H5 N O -","- C7 H5 N O -","- C112 H80 N16 O16 -","16","2","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","x-ray","0.71073","MoKα","","0.0479","0.0426","","","0.1195","0.1231","","","","","","1.082","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249028","10.0238","0.0005","11.0764","0.0005","12.9002","0.0004","99.313","0.003","95.503","0.003","94.395","0.004","1400.68","0.11","169.99","0.1","169.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H15 F3 I3 N3 O3 -","- C27 H15 F3 I3 N3 O3 -","- C54 H30 F6 I6 N6 O6 -","2","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.0875","0.0607","","","0.159","0.187","","","","","","1.033","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249029","19.0306","0.0007","6.4052","0.0002","14.0416","0.0005","90","","102.248","0.004","90","","1672.64","0.1","295","","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H6 N2 O3 -","- C9 H6 N2 O3 -","- C72 H48 N16 O24 -","8","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.0742","0.0504","","","0.1305","0.15","","","","","","1.019","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249030","8.7028","0.0003","21.0309","0.001","9.406","0.0003","90","","95.139","0.004","90","","1714.64","0.12","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H6 F4 I2 N2 O3 -","- C15 H6 F4 I2 N2 O3 -","- C60 H24 F16 I8 N8 O12 -","4","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.0593","0.0357","","","0.0535","0.0599","","","","","","1.017","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249031","14.4917","0.0003","7.3816","0.0002","26.3414","0.0005","90","","90.223","0.002","90","","2817.77","0.11","169.99","0.1","169.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H5 F4 I2 N O -","- C13 H5 F4 I2 N O -","- C104 H40 F32 I16 N8 O8 -","8","2","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.0449","0.0287","","","0.0576","0.0635","","","","","","1.027","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249032","14.1322","0.0004","5.5319","0.0002","18.641","0.0005","90","","95.506","0.003","90","","1450.59","0.08","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H5 F4 I2 N O -","- C13 H5 F4 I2 N O -","- C52 H20 F16 I8 N4 O4 -","4","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.029","0.0269","","","0.0683","0.0698","","","","","","0.932","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249033","4.9817","0.0002","17.5239","0.0004","19.0409","0.0007","90","","93.994","0.003","90","","1658.21","0.1","294.99","0.1","294.99","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C13 H5 F3 I3 N O2 -","- C13 H5 F3 I3 N O2 -","- C52 H20 F12 I12 N4 O8 -","4","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.0411","0.0333","","","0.0873","0.0909","","","","","","1.084","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249034","10.2225","0.0005","11.0134","0.0005","12.1627","0.0004","84.048","0.003","79.544","0.004","83.723","0.004","1333.59","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 Cd1.5 N3 O11 -","- C24 H26 Cd1.5 N3 O11 -","- C48 H52 Cd3 N6 O22 -","2","1","","Huan, Zhipeng; Zou, Huiqi; Wang, Na; Lu, Jing; Liu, Houting; Wang, Suna; Li, Yunwu","Two water-rich amphiphilic and hydrophilic coordination polymers: syntheses, structures and proton conduction behaviors in Nafion composite membranes","CrystEngComm","2024","26","32","4339","4349","10.1039/D4CE00455H","","","1.54184","CuKα","","0.0657","0.0494","","","0.1214","0.134","","","","","","1.015","","","","has coordinates,has disorder","294504","2024-09-06","00:12:44",""
"7249035","17.4786","0.0007","12.9233","0.0004","6.5827","0.0003","90","","112.399","0.005","90","","1374.72","0.11","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C9 H15 O12 Zn1.5 -","- C9 H15 O12 Zn1.5 -","- C36 H60 O48 Zn6 -","4","1","","Huan, Zhipeng; Zou, Huiqi; Wang, Na; Lu, Jing; Liu, Houting; Wang, Suna; Li, Yunwu","Two water-rich amphiphilic and hydrophilic coordination polymers: syntheses, structures and proton conduction behaviors in Nafion composite membranes","CrystEngComm","2024","26","32","4339","4349","10.1039/D4CE00455H","","","1.54184","CuKα","","0.0384","0.0374","","","0.1008","0.1019","","","","","","1.087","","","","has coordinates","294504","2024-09-06","00:12:45",""
"7249036","13.0333","0.0005","15.073","0.0006","18.2889","0.0007","106.84","0.001","92.601","0.001","97.46","0.001","3396.6","0.2","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C126 H132 Ag4 Mo8 N6 O32 P6 -","- C126 H132 Ag4 Mo8 N6 O32 P6 -","- C126 H132 Ag4 Mo8 N6 O32 P6 -","1","0.5","","Yu, Yi-Qi; Sun, Shang-Bin; Deng, Wen-Hao; Li, Jian; Lu, Zhi-Yi; He, Jia-Hui; Wang, Long-Sheng; Meng, Xiang-Gao","Synthesis, structures and luminescence of several coordination complexes based on β-octamolybdate and Ag/Cu phosphine units","CrystEngComm","2024","26","32","4329","4338","10.1039/D4CE00496E","","","0.71073","MoKα","","0.0494","0.0425","","","0.1161","0.12","","","","","","1.048","","","","has coordinates,has disorder","294507","2024-09-06","00:13:20",""
"7249037","13.265","0.003","21.934","0.004","23.266","0.005","90","","91.28","0.03","90","","6768","2","150.15","","150.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C110 H104 Cl4 Cu4 Mo8 N4 O26 P8 -","- C110 H104 Cl4 Cu4 Mo8 N4 O26 P8 -","- C220 H208 Cl8 Cu8 Mo16 N8 O52 P16 -","2","0.5","","Yu, Yi-Qi; Sun, Shang-Bin; Deng, Wen-Hao; Li, Jian; Lu, Zhi-Yi; He, Jia-Hui; Wang, Long-Sheng; Meng, Xiang-Gao","Synthesis, structures and luminescence of several coordination complexes based on β-octamolybdate and Ag/Cu phosphine units","CrystEngComm","2024","26","32","4329","4338","10.1039/D4CE00496E","","","0.71073","MoKα","","0.096","0.0789","","","0.1871","0.1954","","","","","","1.115","","","","has coordinates,has disorder","294507","2024-09-06","00:13:20",""
"7249038","15.9275","0.0006","16.1794","0.0006","19.0604","0.0008","81.001","0.002","78.954","0.001","88.419","0.001","4761.5","0.3","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C156 H138 Cu4 Mo8 N6 O26 P8 -","- C156 H138 Cu4 Mo8 N6 O26 P8 -","- C156 H138 Cu4 Mo8 N6 O26 P8 -","1","0.5","","Yu, Yi-Qi; Sun, Shang-Bin; Deng, Wen-Hao; Li, Jian; Lu, Zhi-Yi; He, Jia-Hui; Wang, Long-Sheng; Meng, Xiang-Gao","Synthesis, structures and luminescence of several coordination complexes based on β-octamolybdate and Ag/Cu phosphine units","CrystEngComm","2024","26","32","4329","4338","10.1039/D4CE00496E","","","0.71073","MoKα","","0.0665","0.0483","","","0.1467","0.1563","","","","","","1.122","","","","has coordinates","294507","2024-09-06","00:13:20",""
"7249039","23.7515","0.0008","17.9116","0.0006","33.5518","0.0011","90","","90","","90","","14273.9","0.8","200","","200","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C110 H104 Ag4 Cl4 Mo8 N4 O26 P8 -","- C110 H104 Ag4 Cl4 Mo8 N4 O26 P8 -","- C440 H416 Ag16 Cl16 Mo32 N16 O104 P32 -","4","1","","Yu, Yi-Qi; Sun, Shang-Bin; Deng, Wen-Hao; Li, Jian; Lu, Zhi-Yi; He, Jia-Hui; Wang, Long-Sheng; Meng, Xiang-Gao","Synthesis, structures and luminescence of several coordination complexes based on β-octamolybdate and Ag/Cu phosphine units","CrystEngComm","2024","26","32","4329","4338","10.1039/D4CE00496E","","","1.34139","GaKα","","0.0574","0.0539","","","0.1373","0.1396","","","","","","1.054","","","","has coordinates","294507","2024-09-06","00:13:20",""
"7249040","21.2502","0.0009","5.9304","0.0002","13.1767","0.0005","90","","105.031","0.002","90","","1603.74","0.11","297","2","297.43","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C20 H15 Fe N3 O -","- C20 H15 Fe N3 O -","- C80 H60 Fe4 N12 O4 -","4","2","","Das, Rudradip; Chatterjee, Deep Rohan; Kapoor, Saumya; Vyas, Het; Shard, Amit","Novel Sulfonamides Unveiled as Potent Anti-Lung Cancer Agents via Tumor Pyruvate Kinase M2 Activation","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00367E","","","0.71073","MoKα","","0.0479","0.0434","","","0.1112","0.1149","","","","","","1.0439","","","","has coordinates","293377","2024-07-12","00:00:47",""
"7249041","11.1512","0.0004","11.4201","0.0005","27.4907","0.0013","90","","90","","90","","3500.9","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H37 N5 O5 -","- C41 H37 N5 O5 -","- C164 H148 N20 O20 -","4","1","","Islam, Mohammad Shahidul; Al-Jassas, Refaah Mousa; Al-Majid, Abdullah Mohammed; Haukka, Matti; Nafie, Mohamed S.; Abu-Serie, Marwa M; Teleb, Mohamed; El-Yazbi, Amira Fawzy; Alayyaf, Abdul Majeed Abdullah; Barakat, Assem; Shaaban, Marwa","Exploiting spirooxindoles for dual DNA targeting/CDK2 inhibition and simultaneous mitigation of oxidative stress towards selective NSCLC therapy; Synthesis, evaluation, and molecular modelling studies","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00337C","","","1.54184","CuKα","","0.0951","0.0552","","","0.1225","0.1476","","","","","","1.052","","","","has coordinates","293378","2024-07-12","00:01:03",""
"7249042","12.2872","0.0003","12.8272","0.0003","15.3688","0.0003","96.23","0.002","91.199","0.002","114.121","0.002","2192.03","0.09","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C56 H54 N4 O2 S -","- C56 H54 N4 O2 S -","- C112 H108 N8 O4 S2 -","2","1","","Polesiak, Emilia; Makowska-Janusik, Malgorzata; Drapala, Jakub; Zagorska, Malgorzata; Banasiewicz, Marzena; Kozankiewicz, Boleslaw; Kulszewicz-Bajer, Irena; Pron, Adam","Photophysical and redox properties of new donor-acceptor-donor (DAD) compounds containing benzothiadiazole (A) and dimethyldihydroacridine (D) units: a combined experimental and theoretical study.","Physical chemistry chemical physics : PCCP","2024","26","30","20690","20700","10.1039/d4cp02322f","","x-ray","1.54184","CuKα","","0.0423","0.0409","","","0.1092","0.1098","","","","","","1.021","","","","has coordinates,has disorder","293945","2024-08-05","20:07:02",""
"7249043","6.3866","0.0005","20.5762","0.0016","14.5475","0.001","90","","93.315","0.003","90","","1908.5","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 N2 O3 -","- C25 H18 N2 O3 -","- C100 H72 N8 O12 -","4","1","","Kulhánek, Jiří; Burešová, Zuzana; Klikar, Milan; Sdralias, Lampros; Katsidas, Alexandros; Pytela, Oldřich; Pařík, Patrik; Růžička, Aleš; Fakis, Mihalis; Bureš, Filip","Synthesis, photophysics and two-photon absorption of imidazole-centred tripodal chromophores.","Physical chemistry chemical physics : PCCP","2024","26","31","20908","20918","10.1039/d4cp02227k","","","0.71073","MoKα","","0.1093","0.1021","","","0.215","0.2177","","","","","","1.258","","","","has coordinates","296708","2024-12-06","20:50:20",""
"7249044","12.3661","0.0006","7.7969","0.0004","7.2005","0.0003","90","","92.93","0.004","90","","693.34","0.06","294","1","294","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C H N -","- C1.8 H1.8 -","- C36 H36 -","20","5","","Britto, Kashpar John; Meenakshi, Maniarasu; Srinivasan, Kannupal","Synthesis of 1-aryl-2,3-diaroyl cyclopropanes from 1,3,5-triaryl-1,5-diketones and their transformation into E,E-1,4-diaryl-1,3-butadienes","RSC Advances","2024","14","31","22076","22085","10.1039/D4RA02525C","","x-ray","0.71073","MoKα","","0.0808","0.0539","","","0.1482","0.1719","","","","","","1.055","","","","has coordinates","293403","2024-07-13","01:15:44",""
"7249045","7.7597","0.0005","9.1203","0.0005","12.5054","0.0007","102.924","0.004","97.329","0.004","97.611","0.005","843.6","0.09","200","2","200","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 Br4 N8 O2 Pb2 -","- C30 H24 Br4 N8 O2 Pb2 -","- C30 H24 Br4 N8 O2 Pb2 -","1","0.5","","Arkak, Akbar; Sadr, Moayad Hossaini; Janghouri, Mohammad; Marandi, Farzin; Fuhrmann, Daniel","1,2,4-triazine derived binuclear lead(ii) complexes: synthesis, spectroscopic and structural investigations and application in organic light-emitting diodes (OLEDs)","RSC Advances","2024","14","30","22006","22016","10.1039/D4RA03383C","","x-ray","0.71073","MoKα","","0.0435","0.0363","","","0.0988","0.1016","","","","","","1.011","","","","has coordinates","293404","2024-07-13","01:15:59",""
"7249046","9.7327","0.0006","10.2844","0.0006","10.5326","0.0007","81.463","0.005","68.068","0.005","86.765","0.005","967.13","0.11","200","2","200","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 N10 O6 Pb2 S2 -","- C36 H30 N10 O6 Pb2 S2 -","- C36 H30 N10 O6 Pb2 S2 -","1","0.5","","Arkak, Akbar; Sadr, Moayad Hossaini; Janghouri, Mohammad; Marandi, Farzin; Fuhrmann, Daniel","1,2,4-triazine derived binuclear lead(ii) complexes: synthesis, spectroscopic and structural investigations and application in organic light-emitting diodes (OLEDs)","RSC Advances","2024","14","30","22006","22016","10.1039/D4RA03383C","","x-ray","0.71073","MoKα","","0.0348","0.0254","","","0.0556","0.0572","","","","","","0.984","","","","has coordinates","293404","2024-07-13","01:15:59",""
"7249047","11.4897","0.0003","12.2783","0.0005","14.8287","0.0008","81.385","0.004","72.679","0.003","83.705","0.003","1969.85","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H48 Br4 N8 O12 Pb4 S4 -","- C80 H48 Br4 N8 O12 Pb4 S4 -","- C80 H48 Br4 N8 O12 Pb4 S4 -","1","0.5","","Darious, Robert Swinton; Evangeline, H. Gifta; Perdih, Franc; Vedha, Swaminathan Angeline","Role of tetrel bonds in the supramolecular architecture of tetranuclear Pb(ii)[LL′thiophene carboxylate] complexes – an experimental and computational study","CrystEngComm","2024","26","30","4098","4106","10.1039/D4CE00466C","","","1.54184","CuKα","","0.0664","0.0555","","","0.1396","0.154","","","","","","1.026","","","","has coordinates,has disorder","293800","2024-08-05","18:29:21",""
"7249048","10.2911","0.0012","10.3975","0.0013","16.635","0.002","94.274","0.004","93.026","0.004","110.473","0.003","1657","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","8d","3,6-Dibromo-2-(4-methoxyphenyl)-7-methyl-8-propylimidazo[1,2-a]pyrimidin-5(8H)-one","","- C17 H17 Br2 N3 O2 -","- C17 H17 Br2 N3 O2 -","- C68 H68 Br8 N12 O8 -","4","2","","Camargo, Delascar; Cifuentes, Carlos; Castillo, Juan-Carlos; Portilla, Jaime","Microwave-assisted synthesis and functionalization of 2-arylimidazo[1,2-a]pyrimidin-5(8H)-ones","RSC Advances","2024","14","31","22368","22373","10.1039/D4RA03948C","","","0.71073","MoKα","","0.1028","0.0761","","","0.209","0.2279","","","","","","1.104","","","","has coordinates","293420","2024-07-16","01:10:07",""
"7249049","9.632","0.0002","18.7983","0.0004","19.1207","0.0004","90","","102.451","0.0008","90","","3380.67","0.12","180","","180","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Butan-1-aminium, N,N,N-tributyl, (TB-5-11)-difluoro(4-methoxyphenyl)diphenylsilicate(1-)","Tetrabutylammonium difluoro(4-methoxyphenyl)diphenylsilicate","","- C35 H53 F2 N O Si -","- C35 H53 F2 N O Si -","- C140 H212 F8 N4 O4 Si4 -","4","1","","Trojan, Michal; Hroch, Adam; Gruden, Evelin; Cvačka, Josef; Čejka, Jan; Tavčar, Gašper; Rybáčková, Markéta; Kvíčala, Jaroslav","Modified aryldifluorophenylsilicates with improved activity and selectivity in nucleophilic fluorination of secondary substrates","RSC Advances","2024","14","31","22326","22334","10.1039/D4RA04332D","","","1.54178","CuKα","","0.0425","0.0393","","0.1119","0.109","0.1119","","","","","","0.9995","","","","has coordinates","293421","2024-07-16","01:10:52",""
"7249050","9.6166","0.0003","16.7413","0.0005","20.8563","0.0006","90","","90.7602","0.0011","90","","3357.45","0.17","180","","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Butan-1-aminium, N,N,N-tributyl, (TB-5-11)-difluorodiphenyl[(4-trifluoromethyl)phenyl]silicate(1-)","Tetrabutylammonium difluorodiphenyl[(4-trifluoromethyl)phenyl]silicate","","- C35 H50 F5 N Si -","- C35 H50 F5 N Si -","- C140 H200 F20 N4 Si4 -","4","1","","Trojan, Michal; Hroch, Adam; Gruden, Evelin; Cvačka, Josef; Čejka, Jan; Tavčar, Gašper; Rybáčková, Markéta; Kvíčala, Jaroslav","Modified aryldifluorophenylsilicates with improved activity and selectivity in nucleophilic fluorination of secondary substrates","RSC Advances","2024","14","31","22326","22334","10.1039/D4RA04332D","","","0.71073","MoKα","","0.0617","0.0458","","0.1229","0.0973","0.1194","","","","","","1","","","","has coordinates","293421","2024-07-16","01:10:54",""
"7249051","9.4251","0.0003","20.4233","0.0007","18.7305","0.0006","90","","103.315","0.0017","90","","3508.6","0.2","180","","180","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Butan-1-aminium, N,N,N-tributyl, (TB-5-11)-difluorobis(4-methoxyphenyl)phenylsilicate(1-)","Tetrabutylammonium difluorobis(4-methoxyphenyl)phenylsilicate","","- C36 H55 F2 N O2 Si -","- C36 H55 F2 N O2 Si -","- C144 H220 F8 N4 O8 Si4 -","4","1","","Trojan, Michal; Hroch, Adam; Gruden, Evelin; Cvačka, Josef; Čejka, Jan; Tavčar, Gašper; Rybáčková, Markéta; Kvíčala, Jaroslav","Modified aryldifluorophenylsilicates with improved activity and selectivity in nucleophilic fluorination of secondary substrates","RSC Advances","2024","14","31","22326","22334","10.1039/D4RA04332D","","","1.54178","CuKα","","0.0915","0.08","","0.2311","0.2223","0.2311","","","","","","1.0002","","","","has coordinates","293421","2024-07-16","01:11:03",""
"7249052","7.048","0.008","7.351","0.008","15.499","0.016","78.09","0.03","84.05","0.03","69.2","0.03","734.1","1.4","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N2 O3 -","- C16 H17 N2 O3 -","- C32 H34 N4 O6 -","2","1","","Saikia, Plabon; Gupta, Poonam; Nath, Tridib R.; Nath, Naba K.","Crystal-to-crystal polymorphic phase transition in a cocrystal accompanied by expansion and surface wettability change","CrystEngComm","2024","26","32","4259","4263","10.1039/D4CE00407H","","","0.71073","MoKα","","0.1099","0.0581","","","0.1356","0.1688","","","","","","1.0435","","","","has coordinates","294510","2024-09-06","00:14:31",""
"7249053","8.9872","0.0006","13.7547","0.0009","26.5649","0.0017","90","","90","","90","","3283.9","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","Febuxostat","","","- C16 H16 N2 O3 S -","- C16 H16 N2 O3 S -","- C128 H128 N16 O24 S8 -","8","2","","Ungur, Doriana T.; Lanza, Arianna; Stam, Danny; Guguta, Carmen; Iordache, Coca; Fruth, Victor; Santiso-Quinones, Gustavo; Pop, Mihaela M.","Crystal structure of febuxostat marketed polymorph determined by electron diffraction and reinforced by X-ray crystallography","CrystEngComm","2024","26","32","4295","4304","10.1039/D4CE00518J","","","1.54184","CuKα","","0.1005","0.0629","","","0.1407","0.1689","","","","","","1.006","","","","has coordinates","294506","2024-09-06","00:13:04",""
"7249054","11.1186","0.0011","33.698","0.004","3.8243","0.0004","90","","90","","90","","1432.9","0.3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H13 N O2 -","- C20 H13 N O2 -","- C80 H52 N4 O8 -","4","1","","Ballarin, Giovanna; Biasiotto, Maddalena; Reisbitzer, Annika; Hegels, Marlen; Bolte, Michael; Krauß, Sybille; Berdnikova, Daria V.","A novel aurone RNA CAG binder inhibits the Huntingtin RNA–protein interaction","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00403E","","","0.71073","MoKα","","0.2692","0.1555","","","0.2843","0.3433","","","","","","1.227","","","","has coordinates","293454","2024-07-17","23:57:43",""
"7249055","8.6748","0.0008","16.7658","0.0012","11.7777","0.0011","90","","98.695","0.008","90","","1693.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C80 H84 N4 O12 -","4","1","","Ballarin, Giovanna; Biasiotto, Maddalena; Reisbitzer, Annika; Hegels, Marlen; Bolte, Michael; Krauß, Sybille; Berdnikova, Daria V.","A novel aurone RNA CAG binder inhibits the Huntingtin RNA–protein interaction","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00403E","","","0.71073","MoKα","","0.133","0.0979","","","0.1466","0.1567","","","","","","1.392","","","","has coordinates","293454","2024-07-17","23:57:44",""
"7249056","10.7933","0.0013","15.7086","0.0012","7.8096","0.0006","90","","90","","90","","1324.1","0.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C15 H20 Br9 N2 Sb -","- C15 H20 Br9 N2 Sb -","- C30 H40 Br18 N4 Sb2 -","2","0.5","","Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Adonin, Sergey A.","Crystalline products of bromoantimonate(iii) oxidation by Br2 in the presence of different cations: diversity of structural types and patterns of halogen bond systems","CrystEngComm","2024","26","33","4518","4524","10.1039/D4CE00207E","","","0.71073","MoKα","","0.049","0.0403","","","0.0814","0.0869","","","","","","1.028","","","","has coordinates","294516","2024-09-06","00:15:32",""
"7249057","22.0906","0.0014","7.8331","0.0005","20.5614","0.0014","90","","102.413","0.007","90","","3474.7","0.4","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 Br12 N2 Sb2 -","- C18 H26 Br12 N2 Sb2 -","- C72 H104 Br48 N8 Sb8 -","4","0.5","","Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Adonin, Sergey A.","Crystalline products of bromoantimonate(iii) oxidation by Br2 in the presence of different cations: diversity of structural types and patterns of halogen bond systems","CrystEngComm","2024","26","33","4518","4524","10.1039/D4CE00207E","","","0.71073","MoKα","","0.0339","0.0251","","","0.0509","0.0541","","","","","","0.995","","","","has coordinates","294516","2024-09-06","00:15:33",""
"7249058","7.7262","0.0002","8.7072","0.0004","11.2299","0.0004","75.662","0.004","82.363","0.003","82.661","0.003","721.91","0.05","130","2","130","2","","","","","","","","5","P 1","P 1","1","","","","- C17 H24 Br9 N2 Sb -","- C17 H24 Br9 N2 Sb -","- C17 H24 Br9 N2 Sb -","1","1","","Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Adonin, Sergey A.","Crystalline products of bromoantimonate(iii) oxidation by Br2 in the presence of different cations: diversity of structural types and patterns of halogen bond systems","CrystEngComm","2024","26","33","4518","4524","10.1039/D4CE00207E","","","0.71073","MoKα","","0.0399","0.0343","","","0.0694","0.0728","","","","","","0.989","","","","has coordinates","294516","2024-09-06","00:15:33",""
"7249059","7.4663","0.0005","9.0838","0.0007","10.3799","0.0009","112.483","0.007","95.318","0.006","98.593","0.006","634.47","0.09","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Br9 N2 Sb -","- C14 H18 Br9 N2 Sb -","- C14 H18 Br9 N2 Sb -","1","0.5","","Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Adonin, Sergey A.","Crystalline products of bromoantimonate(iii) oxidation by Br2 in the presence of different cations: diversity of structural types and patterns of halogen bond systems","CrystEngComm","2024","26","33","4518","4524","10.1039/D4CE00207E","","","0.71073","MoKα","","0.0524","0.0414","","","0.0863","0.0936","","","","","","0.986","","","","has coordinates","294516","2024-09-06","00:15:33",""
"7249060","7.1919","0.0002","8.9352","0.0003","12.059","0.0004","69.046","0.003","74.269","0.003","80.096","0.003","694.14","0.04","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Br9 N2 Sb -","- C16 H20 Br9 N2 Sb -","- C16 H20 Br9 N2 Sb -","1","0.5","","Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Adonin, Sergey A.","Crystalline products of bromoantimonate(iii) oxidation by Br2 in the presence of different cations: diversity of structural types and patterns of halogen bond systems","CrystEngComm","2024","26","33","4518","4524","10.1039/D4CE00207E","","","0.71073","MoKα","","0.0433","0.0338","","","0.0706","0.0757","","","","","","1.033","","","","has coordinates","294516","2024-09-06","00:15:33",""
"7249061","11.2062","0.0002","15.7756","0.0003","16.4774","0.0003","114.223","0.002","95.122","0.002","106.738","0.002","2471.12","0.1","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H36 Br15 N4 Sb3 -","- C28 H36 Br15 N4 Sb3 -","- C56 H72 Br30 N8 Sb6 -","2","1","","Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Adonin, Sergey A.","Crystalline products of bromoantimonate(iii) oxidation by Br2 in the presence of different cations: diversity of structural types and patterns of halogen bond systems","CrystEngComm","2024","26","33","4518","4524","10.1039/D4CE00207E","","","0.71073","MoKα","","0.0472","0.0337","","","0.0603","0.0651","","","","","","1.028","","","","has coordinates","294516","2024-09-06","00:15:33",""
"7249062","9.4676","0.0007","11.3277","0.0011","14.7065","0.0014","90","","99.769","0.003","90","","1554.3","0.2","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H32 N12 O6 Pb2 S2 -","- C24 H32 N12 O6 Pb2 S2 -","- C48 H64 N24 O12 Pb4 S4 -","2","0.5","","Mahmoudi, Ghodrat; Garcia-Santos, Isabel; Castiñeiras, Alfonso; Fernández-Vazquez, Roi; Servati Gargari, Masoumeh; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.","Anion driven tetrel bonding dictated supramolecular architectures of lead(ii) with a zwitterionic form of polydentate N′-(piperidine-1-carbonothioyl)picolinohydrazonamide","CrystEngComm","2024","26","32","4357","4366","10.1039/D4CE00582A","","","0.71073","MoKα","","0.0262","0.0185","","","0.0325","0.0341","","","","","","1.057","","","","has coordinates","294511","2024-09-06","00:14:41",""
"7249063","25.1389","0.001","11.3401","0.0005","38.3204","0.0019","90","","102.189","0.001","90","","10678","0.8","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C36 H54 Cl3 N15 O15.25 Pb3 S3 -","- C36 H54 Cl3 N15 O15.25 Pb3 S3 -","- C288 H432 Cl24 N120 O122 Pb24 S24 -","8","1","","Mahmoudi, Ghodrat; Garcia-Santos, Isabel; Castiñeiras, Alfonso; Fernández-Vazquez, Roi; Servati Gargari, Masoumeh; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.","Anion driven tetrel bonding dictated supramolecular architectures of lead(ii) with a zwitterionic form of polydentate N′-(piperidine-1-carbonothioyl)picolinohydrazonamide","CrystEngComm","2024","26","32","4357","4366","10.1039/D4CE00582A","","","0.71073","MoKα","","0.0655","0.0352","","","0.0518","0.0593","","","","","","1.027","","","","has coordinates","294511","2024-09-06","00:14:41",""
"7249064","17.731","0.006","17.61","0.006","18.563","0.006","90","","93.025","0.006","90","","5788","3","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H32 N10 O10 Zn2 -","- C48 H32 N10 O10 Zn2 -","- C192 H128 N40 O40 Zn8 -","4","0.5","","Zhong, Xin; Yang, Xiying; Wang, Jun; Lu, Lu; Muddassir, Mohd; Kushwaha, Aparna; Srivastava, Shreya; Kumar, Abhinav","A new pyromellitic acid and 3,5-bis(benzoimidazo-1-ly)pyridine based Zn(ii)-MOF as prospective turn-off–on sensor for tetracycline","CrystEngComm","2024","26","33","4509","4517","10.1039/D4CE00471J","","","0.71073","MoKα","","0.0907","0.0489","","","0.1321","0.1509","","","","","","0.987","","","","has coordinates","294517","2024-09-06","00:15:40",""
"7249065","25.9446","0.0009","16.1841","0.0006","9.4239","0.0003","90","","99.628","0.002","90","","3901.3","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H15 N5 O2 -","- C25 H15 N5 O2 -","- C200 H120 N40 O16 -","8","2","","Yang, Ling-Fei; Zhang, Zhi-Peng; Li, Yu-Lin; Cai, Shu-Ting; Li, Ze-Yan; Shen, Yi-Ran; Zhang, Zi-Ying; Lin, Jia-Yu; Ou, Yong-Cong; Wu, Jian-Zhong","Synthesis, structure and luminescence of two europium complexes of diphenylimidazophenanthrolines","CrystEngComm","2024","26","31","4235","4240","10.1039/D4CE00440J","","","0.71073","MoKα","","0.0728","0.0468","","","0.1141","0.1291","","","","","","1.065","","","","has coordinates","294523","2024-09-06","00:17:35",""
"7249066","9.6535","0.0004","16.8465","0.0007","25.9752","0.001","90","","93.411","0.002","90","","4216.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98 H76 Eu2 N10 O12 -","- C98 H76 Eu2 N10 O12 -","- C196 H152 Eu4 N20 O24 -","2","0.5","","Yang, Ling-Fei; Zhang, Zhi-Peng; Li, Yu-Lin; Cai, Shu-Ting; Li, Ze-Yan; Shen, Yi-Ran; Zhang, Zi-Ying; Lin, Jia-Yu; Ou, Yong-Cong; Wu, Jian-Zhong","Synthesis, structure and luminescence of two europium complexes of diphenylimidazophenanthrolines","CrystEngComm","2024","26","31","4235","4240","10.1039/D4CE00440J","","","0.71073","MoKα","","0.0497","0.0407","","","0.0983","0.1016","","","","","","1.119","","","","has coordinates","294523","2024-09-06","00:17:36",""
"7249067","9.4359","0.0005","17.4013","0.0009","25.6394","0.0014","90","","91.022","0.002","90","","4209.2","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98 H74 Eu2 N8 O14 -","- C98 H74 Eu2 N8 O14 -","- C196 H148 Eu4 N16 O28 -","2","0.5","","Yang, Ling-Fei; Zhang, Zhi-Peng; Li, Yu-Lin; Cai, Shu-Ting; Li, Ze-Yan; Shen, Yi-Ran; Zhang, Zi-Ying; Lin, Jia-Yu; Ou, Yong-Cong; Wu, Jian-Zhong","Synthesis, structure and luminescence of two europium complexes of diphenylimidazophenanthrolines","CrystEngComm","2024","26","31","4235","4240","10.1039/D4CE00440J","","","0.71073","MoKα","","0.0469","0.0395","","","0.096","0.1007","","","","","","1.075","","","","has coordinates","294523","2024-09-06","00:17:36",""
"7249068","19.4844","0.0005","19.797","0.0006","20.2908","0.001","90","","93.527","0.003","90","","7812","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C102 H205 Co16 N O66 -","- C102 H205 Co16 N O66 -","- C204 H410 Co32 N2 O132 -","2","0.5","","Stati, Dumitru; van Leusen, Jan; Kravtsov, Victor Ch.; Krämer, Karl; Liu, Shi-Xia; Decurtins, Silvio; Kögerler, Paul; Baca, Svetlana G.","Hexadecanuclear isobutyrate nanoclusters with a {CoII14CoIII2} core","CrystEngComm","2024","26","32","4264","4271","10.1039/D4CE00637B","","","0.71073","MoKα","","0.1348","0.063","","","0.1209","0.1436","","","","","","1","","","","has coordinates,has disorder","294509","2024-09-06","00:14:17",""
"7249069","19.5755","0.0006","19.8822","0.0009","20.6464","0.0011","90","","94.644","0.003","90","","8009.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C106 H213 Co16 N O66 -","- C106 H213 Co16 N O66 -","- C212 H426 Co32 N2 O132 -","2","0.5","","Stati, Dumitru; van Leusen, Jan; Kravtsov, Victor Ch.; Krämer, Karl; Liu, Shi-Xia; Decurtins, Silvio; Kögerler, Paul; Baca, Svetlana G.","Hexadecanuclear isobutyrate nanoclusters with a {CoII14CoIII2} core","CrystEngComm","2024","26","32","4264","4271","10.1039/D4CE00637B","","","0.71073","MoKα","","0.1414","0.0733","","","0.1782","0.2143","","","","","","1.003","","","","has coordinates,has disorder","294509","2024-09-06","00:14:17",""
"7249070","14.941","0.002","30.117","0.005","8.434","0.0013","90","","102.447","0.004","90","","3705.9","1","273.15","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3.158 H1.965 Cl0.281 N0.281 O0.07 -","- C3.15789 H1.96491 Cl0.280702 N0.280702 O0.0701754 -","- C180 H112 Cl16 N16 O4 -","57","14.25","","Li, Tian-Miao; Hu, Li-Yuan; Zou, Xin; Wang, Jun-Yi; Ni, Sheng; Liu, Lei; Xiao, Xunwen; Luo, Xu-Feng","Hybridization of short-range and long-range charge transfer boosts room-temperature phosphorescence performance","RSC Advances","2024","14","31","22763","22768","10.1039/D4RA03283G","","","0.71073","MoKα","","0.1401","0.0669","","","0.1505","0.1968","","","","","","1.1164","","","","has coordinates","293468","2024-07-19","01:15:50",""
"7249071","8.565","0.003","15.216","0.006","30.113","0.011","90","","90","","103.425","0.009","3817","2","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C2.847 H1.424 Br0.271 N0.203 -","- C2.84746 H1.42373 Br0.271186 N0.20339 -","- C168 H84 Br16 N12 -","59","29.5","","Li, Tian-Miao; Hu, Li-Yuan; Zou, Xin; Wang, Jun-Yi; Ni, Sheng; Liu, Lei; Xiao, Xunwen; Luo, Xu-Feng","Hybridization of short-range and long-range charge transfer boosts room-temperature phosphorescence performance","RSC Advances","2024","14","31","22763","22768","10.1039/D4RA03283G","","","0.71073","MoKα","","0.3125","0.0795","","","0.123","0.2066","","","","","","0.9919","","","","has coordinates","293468","2024-07-19","01:15:53",""
"7249072","6.0338","0.0001","7.3549","0.0002","20.9236","0.0005","85.352","0.002","88.35","0.002","73.647","0.002","888.04","0.04","126","","126","","","","","","","","","5","P -1","-P 1","2","","ANC-5","","- C21 H19 F N6 O -","- C21 H19 F N6 O -","- C42 H38 F2 N12 O2 -","2","1","","Khetmalis, Yogesh Mahadu; Shobha, Singarapalle; Nandikolla, Adinarayana; Chandu, Ala; Murugesan, Sankaranarayanan; Kumar, Muthyala Murali Krishna; Chandra Sekhar, Kondapalli Venkata Gowri","Design, synthesis, and anti-mycobacterial evaluation of 1,8-naphthyridine-3-carbonitrile analogues","RSC Advances","2024","14","31","22676","22689","10.1039/D4RA04262J","","x-ray","1.54184","CuKα","","0.0496","0.0461","","","0.1299","0.1328","","","","","","1.093","","","","has coordinates","293469","2024-07-19","01:16:13",""
"7249073","10.9806","0.0011","4.9204","0.0005","22.904","0.002","90","","92.98","0.003","90","","1235.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 N4 O5 -","- C9 H13 N4 O5 -","- C36 H52 N16 O20 -","4","1","","Yang, Mingzhu; Jiang, Zhouyu; Du, Cunbin; Zhang, Xiaowen; Wang, Mingliang","Chemical stabilization strategy for cymoxanil: synthesis and characterization of cocrystals with small organic acids","CrystEngComm","2024","26","31","4214","4222","10.1039/D4CE00513A","","","0.71073","MoKα","","0.0956","0.0491","","","0.0972","0.1157","","","","","","1.039","","","","has coordinates","294519","2024-09-06","00:16:31",""
"7249074","4.958","0.0002","11.3093","0.0006","14.6326","0.0008","86.267","0.002","81.573","0.002","83.375","0.002","805.22","0.07","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 N4 O6 -","- C14 H16 N4 O6 -","- C28 H32 N8 O12 -","2","1","","Yang, Mingzhu; Jiang, Zhouyu; Du, Cunbin; Zhang, Xiaowen; Wang, Mingliang","Chemical stabilization strategy for cymoxanil: synthesis and characterization of cocrystals with small organic acids","CrystEngComm","2024","26","31","4214","4222","10.1039/D4CE00513A","","","1.54178","CuKα","","0.0828","0.0703","","","0.2215","0.2291","","","","","","1.112","","","","has coordinates","294519","2024-09-06","00:16:32",""
"7249075","29.618","0.002","15.2128","0.0013","24.2347","0.0011","90","","90","","90","","10919.5","1.3","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C120 H60 Cu9 N40 O22 -","- C120 H60 Cu9 N40 O21.998 -","- C240 H120 Cu18 N80 O43.996 -","2","0.25","","Chen, Xi; Chen, Zi-tong; Zhu, Feng; Chen, Yuan; Liu, Ao-gang; Yin, Xue; Chen, Zi-ke; Li, Bao","Enhanced organic dye adsorption and photocatalytic activity through a metal–organic framework featuring heptanuclear/binuclear clusters and cage cavities","CrystEngComm","2024","26","33","4489","4497","10.1039/D4CE00484A","","","0.71","MoKα","","0.1321","0.0952","","","0.2646","0.3274","","","","","","1.027","","","","has coordinates,has disorder","294514","2024-09-06","00:15:14",""
"7249076","13.0154","0.0005","6.8065","0.0002","20.5824","0.0006","90","","105.985","0.003","90","","1752.88","0.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N5 O3 -","- C18 H17 N5 O3 -","- C72 H68 N20 O12 -","4","1","","Deb, Mousumi; Singh, Hoshiyar; Manhas, Diksha; Nandi, Utpal; Guru, Santosh Kumar; Das, Parthasarathi","Development of di-arylated 1,2,4-triazole-based derivatives as therapeutic agents against breast cancer: synthesis and biological evaluation","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00285G","","x-ray","0.71073","MoKα","","0.0897","0.048","","","0.0999","0.1128","","","","","","0.931","","","","has coordinates","293501","2024-07-22","23:57:53",""
"7249077","10.3526","0.0008","10.3526","0.0008","19.1311","0.0017","90","","90","","90","","2050.4","0.3","150","2","150","2","","","","","","","","5","I -4","I -4","82","","","","- C15 H28 F6 N3 P -","- C15 H28 F6 N3 P -","- C60 H112 F24 N12 P4 -","4","0.5","","Odubo, Favour E.; Muthuramesh, Snehashree; Zeller, Matthias; Rosokha, Sergiy V.","Anion-π interaction with alkenes: persistent complexes <i>vs.</i> irreversible reactions of anions with tetracyanoethylene.","Physical chemistry chemical physics : PCCP","2024","26","31","21030","21039","10.1039/d4cp02573c","","","0.71073","MoKα","","0.0829","0.0532","","","0.1393","0.1556","","","","","","1.06","","","","has coordinates,has disorder","296709","2024-12-06","20:50:38",""
"7249078","10.4139","0.0004","10.7266","0.0004","10.91","0.0004","80.179","0.002","84.466","0.002","61.796","0.002","1058.1","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H28 N6 O3 -","- C18 H28 N6 O3 -","- C36 H56 N12 O6 -","2","1","","Odubo, Favour E.; Muthuramesh, Snehashree; Zeller, Matthias; Rosokha, Sergiy V.","Anion-π interaction with alkenes: persistent complexes <i>vs.</i> irreversible reactions of anions with tetracyanoethylene.","Physical chemistry chemical physics : PCCP","2024","26","31","21030","21039","10.1039/d4cp02573c","","","0.71073","MoKα","","0.0813","0.0491","","","0.1157","0.1329","","","","","","1.025","","","","has coordinates,has disorder","296709","2024-12-06","20:50:38",""
"7249079","10.2231","0.0005","10.2231","0.0005","18.5008","0.0014","90","","90","","90","","1933.6","0.2","150","2","150","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C30 H56 Cl2 N6 O8 -","- C30 H56 Cl2 N6 O8 -","- C60 H112 Cl4 N12 O16 -","2","0.25","","Odubo, Favour E.; Muthuramesh, Snehashree; Zeller, Matthias; Rosokha, Sergiy V.","Anion-π interaction with alkenes: persistent complexes <i>vs.</i> irreversible reactions of anions with tetracyanoethylene.","Physical chemistry chemical physics : PCCP","2024","26","31","21030","21039","10.1039/d4cp02573c","","","0.71073","MoKα","","0.0556","0.0448","","","0.1284","0.136","","","","","","1.068","","","","has coordinates,has disorder","296709","2024-12-06","20:50:38",""
"7249080","10.8503","0.0004","11.6951","0.0004","12.0077","0.0004","118.266","0.002","90.146","0.002","115.285","0.002","1172.64","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 Br N4 P -","- C25 H18 Br N4 P -","- C50 H36 Br2 N8 P2 -","2","1","","Odubo, Favour E.; Muthuramesh, Snehashree; Zeller, Matthias; Rosokha, Sergiy V.","Anion-π interaction with alkenes: persistent complexes <i>vs.</i> irreversible reactions of anions with tetracyanoethylene.","Physical chemistry chemical physics : PCCP","2024","26","31","21030","21039","10.1039/d4cp02573c","","","0.71073","MoKα","","0.0482","0.0296","","","0.063","0.0684","","","","","","1.026","","","","has coordinates","296709","2024-12-06","20:50:38",""
"7249081","12.847","0.004","17.517","0.005","20.811","0.006","94.897","0.011","90.015","0.016","97.384","0.014","4627","2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H72 B2 F8 N6 -","- C38 H72 B2 F8 N6 -","- C152 H288 B8 F32 N24 -","4","2","","Odubo, Favour E.; Muthuramesh, Snehashree; Zeller, Matthias; Rosokha, Sergiy V.","Anion-π interaction with alkenes: persistent complexes <i>vs.</i> irreversible reactions of anions with tetracyanoethylene.","Physical chemistry chemical physics : PCCP","2024","26","31","21030","21039","10.1039/d4cp02573c","","","0.71073","MoKα","","0.0731","0.0595","","","0.175","0.1854","","","","","","1.044","","","","has coordinates,has disorder","296709","2024-12-06","20:50:38",""
"7249082","22.2957","0.0009","10.8914","0.0004","21.7156","0.0009","90","","108.298","0.0015","90","","5006.6","0.3","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H36 N6 -","- C24 H36 N6 -","- C192 H288 N48 -","8","1","","Odubo, Favour E.; Muthuramesh, Snehashree; Zeller, Matthias; Rosokha, Sergiy V.","Anion-π interaction with alkenes: persistent complexes <i>vs.</i> irreversible reactions of anions with tetracyanoethylene.","Physical chemistry chemical physics : PCCP","2024","26","31","21030","21039","10.1039/d4cp02573c","","","0.71073","MoKα","","0.0479","0.0364","","","0.0963","0.1058","","","","","","1.038","","","","has coordinates,has disorder","296709","2024-12-06","20:50:38",""
"7249083","6.845","0.0007","7.2531","0.0008","15.6037","0.0017","95.832","0.003","98.967","0.003","108.964","0.003","714","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C2.14 H2.29 N0.29 O0.71 -","- C2.14286 H2.28571 N0.285714 O0.714286 -","- C30 H32 N4 O10 -","14","7","","Kumar, Ram; Singh, Bholey; Gahlyan, Parveen; Verma, Abhishek; Bhandari, Mamta; Kakkar, Rita; Pani, Balaram","An innovative Schiff-base colorimetric chemosensor for the selective detection of Cu2+ ions and its applications","RSC Advances","2024","14","32","23083","23094","10.1039/D4RA03097D","","","0.71073","MoKα","","0.0915","0.0746","","","0.1625","0.1762","","","","","","1.089","","","","has coordinates","293504","2024-07-23","01:13:09",""
"7249084","11.723","0.002","11.705","0.002","16.755","0.006","90","","115.55","0.02","90","","2074.3","1","298","2","298","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H20 Cd Cl14 N4 O8 -","- C20 H16 Cd Cl2 N4 O8 -","- C40 H32 Cd2 Cl4 N8 O16 -","2","0.5","","Ebrahimi, Bahare; Notash, Behrouz","Facile fabrication in coordination networks: an in situ sequential replacement of linkers by successive SC–SC transformations via core@shell crystals","CrystEngComm","2024","26","34","4720","4731","10.1039/D4CE00632A","","","0.71073","MoKα","","0.1086","0.092","","","0.2638","0.28","","","","","","1.0192","","","","has coordinates","294532","2024-09-06","00:20:33",""
"7249085","10.351","0.002","11.599","0.002","13.672","0.003","90","","92.57","0.03","90","","1639.8","0.6","298","2","298.15","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C24 H21 Cd Cl5 N8 O9 -","- C22 H16 Cd Cl2 N8 O8 -","- C44 H32 Cd2 Cl4 N16 O16 -","2","0.5","","Ebrahimi, Bahare; Notash, Behrouz","Facile fabrication in coordination networks: an in situ sequential replacement of linkers by successive SC–SC transformations via core@shell crystals","CrystEngComm","2024","26","34","4720","4731","10.1039/D4CE00632A","","","0.71073","MoKα","","0.0961","0.069","","","0.17","0.1866","","","","","","0.9718","","","","has coordinates,has disorder","294532","2024-09-06","00:20:33",""
"7249086","9.1632","0.0018","9.795","0.002","13.509","0.003","105.06","0.03","109.51","0.03","90.79","0.03","1096.9","0.5","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H34.8 Cd Cl2 N18 O11.4 -","- C38 H34.8 Cd Cl2 N18 O11.4 -","- C38 H34.8 Cd Cl2 N18 O11.4 -","1","0.5","","Ebrahimi, Bahare; Notash, Behrouz","Facile fabrication in coordination networks: an in situ sequential replacement of linkers by successive SC–SC transformations via core@shell crystals","CrystEngComm","2024","26","34","4720","4731","10.1039/D4CE00632A","","","0.71073","MoKα","","0.0826","0.0642","","","0.1519","0.1626","","","","","","0.9668","","","","has coordinates,has disorder","294532","2024-09-06","00:20:33",""
"7249087","11.8513","0.0008","12.1261","0.0009","13.3197","0.0009","90.144","0.002","106.205","0.002","116.611","0.002","1625.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H24 F9 Gd N2 O6 -","- C27 H24 F9 Gd N2 O6 -","- C54 H48 F18 Gd2 N4 O12 -","2","1","","Hu, Peng; Ding, Manman; Gao, Xinpeng; Zhu, Aixin; Xiao, Fengping; Cao, Jiangfei; Zhang, Yiquan","Apparently improved energy barrier of Dy(iii) SMMs by adopting the bridging bipyrimidine ligand","CrystEngComm","2024","26","34","4657","4668","10.1039/D4CE00436A","","","0.71073","MoKα","","0.0385","0.0341","","","0.0921","0.0985","","","","","","1.019","","","","has coordinates","294528","2024-09-06","00:19:39",""
"7249088","15.7398","0.0008","17.6702","0.0008","18.6995","0.0009","90","","106.605","0.001","90","","4983.9","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H46 F9 Gd N2 O6 -","- C49 H46 F9 Gd N2 O6 -","- C196 H184 F36 Gd4 N8 O24 -","4","1","","Hu, Peng; Ding, Manman; Gao, Xinpeng; Zhu, Aixin; Xiao, Fengping; Cao, Jiangfei; Zhang, Yiquan","Apparently improved energy barrier of Dy(iii) SMMs by adopting the bridging bipyrimidine ligand","CrystEngComm","2024","26","34","4657","4668","10.1039/D4CE00436A","","","0.71073","MoKα","","0.0394","0.0334","","","0.1053","0.1223","","","","","","0.99","","","","has coordinates","294528","2024-09-06","00:19:39",""
"7249089","11.816","0.0014","12.1181","0.0014","13.2915","0.0015","90.396","0.001","106.009","0.001","116.348","0.001","1620.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H24 Dy F9 N2 O6 -","- C27 H24 Dy F9 N2 O6 -","- C54 H48 Dy2 F18 N4 O12 -","2","1","","Hu, Peng; Ding, Manman; Gao, Xinpeng; Zhu, Aixin; Xiao, Fengping; Cao, Jiangfei; Zhang, Yiquan","Apparently improved energy barrier of Dy(iii) SMMs by adopting the bridging bipyrimidine ligand","CrystEngComm","2024","26","34","4657","4668","10.1039/D4CE00436A","","","0.71073","MoKα","","0.0387","0.0349","","","0.0936","0.0977","","","","","","1.034","","","","has coordinates","294528","2024-09-06","00:19:39",""
"7249090","12.6639","0.0007","13.2219","0.0007","16.7861","0.0007","90","","113.407","0.003","90","","2579.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 Dy2 F18 N4 O12 -","- C38 H30 Dy2 F18 N4 O12 -","- C76 H60 Dy4 F36 N8 O24 -","2","0.5","","Hu, Peng; Ding, Manman; Gao, Xinpeng; Zhu, Aixin; Xiao, Fengping; Cao, Jiangfei; Zhang, Yiquan","Apparently improved energy barrier of Dy(iii) SMMs by adopting the bridging bipyrimidine ligand","CrystEngComm","2024","26","34","4657","4668","10.1039/D4CE00436A","","","0.71073","MoKα","","0.0422","0.0347","","","0.0867","0.0951","","","","","","1.036","","","","has coordinates","294528","2024-09-06","00:19:39",""
"7249091","9.8261","0.001","11.0676","0.0011","17.1496","0.0018","71.781","0.002","80.509","0.002","84.683","0.002","1745.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H21 F9 Gd N2 O6 -","- C34 H21 F9 Gd N2 O6 -","- C68 H42 F18 Gd2 N4 O12 -","2","1","","Hu, Peng; Ding, Manman; Gao, Xinpeng; Zhu, Aixin; Xiao, Fengping; Cao, Jiangfei; Zhang, Yiquan","Apparently improved energy barrier of Dy(iii) SMMs by adopting the bridging bipyrimidine ligand","CrystEngComm","2024","26","34","4657","4668","10.1039/D4CE00436A","","","0.71073","MoKα","","0.0653","0.0433","","","0.0785","0.0874","","","","","","1.016","","","","has coordinates","294528","2024-09-06","00:19:39",""
"7249092","12.6945","0.0007","13.147","0.0007","16.7459","0.0007","90","","113.398","0.003","90","","2565","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 F18 Gd2 N4 O12 -","- C38 H30 F18 Gd2 N4 O12 -","- C76 H60 F36 Gd4 N8 O24 -","2","0.5","","Hu, Peng; Ding, Manman; Gao, Xinpeng; Zhu, Aixin; Xiao, Fengping; Cao, Jiangfei; Zhang, Yiquan","Apparently improved energy barrier of Dy(iii) SMMs by adopting the bridging bipyrimidine ligand","CrystEngComm","2024","26","34","4657","4668","10.1039/D4CE00436A","","","0.71067","MoKα","","0.0347","0.0295","","","0.0714","0.0782","","","","","","1.03","","","","has coordinates","294528","2024-09-06","00:19:39",""
"7249093","15.7153","0.0006","17.6221","0.0006","18.7216","0.0006","90","","106.977","0.001","90","","4958.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H46 Dy F9 N2 O6 -","- C49 H46 Dy F9 N2 O6 -","- C196 H184 Dy4 F36 N8 O24 -","4","1","","Hu, Peng; Ding, Manman; Gao, Xinpeng; Zhu, Aixin; Xiao, Fengping; Cao, Jiangfei; Zhang, Yiquan","Apparently improved energy barrier of Dy(iii) SMMs by adopting the bridging bipyrimidine ligand","CrystEngComm","2024","26","34","4657","4668","10.1039/D4CE00436A","","","0.71073","MoKα","","0.0349","0.0273","","","0.064","0.0731","","","","","","1.017","","","","has coordinates","294528","2024-09-06","00:19:39",""
"7249094","9.8524","0.0015","11.032","0.0016","17.118","0.002","71.671","0.002","80.346","0.002","84.439","0.002","1739.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H42 Dy2 F18 N4 O12 -","- C68 H42 Dy2 F18 N4 O12 -","- C68 H42 Dy2 F18 N4 O12 -","1","0.5","","Hu, Peng; Ding, Manman; Gao, Xinpeng; Zhu, Aixin; Xiao, Fengping; Cao, Jiangfei; Zhang, Yiquan","Apparently improved energy barrier of Dy(iii) SMMs by adopting the bridging bipyrimidine ligand","CrystEngComm","2024","26","34","4657","4668","10.1039/D4CE00436A","","","0.71073","MoKα","","0.0316","0.0264","","","0.0541","0.0556","","","","","","1.014","","","","has coordinates","294528","2024-09-06","00:19:39",""
"7249095","10.1258","0.001","17.1023","0.0018","17.3953","0.0018","98.893","0.003","105.772","0.003","100.319","0.003","2785.6","0.5","301","2","301","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H12 Cd2 O15 -","- C30 H12 Cd2 O15 -","- C60 H24 Cd4 O30 -","2","1","","Xiong, Yuxuan; Li, Dan-Dan; Yu, Jie-Hui; Yang, Qingfeng","Dye adsorption performance of an anionic Cd2+ MOF material based on semi-rigid hexacarboxylic acid","CrystEngComm","2024","26","34","4579","4591","10.1039/D4CE00362D","","","0.71073","MoKα","","0.1111","0.0967","","","0.3019","0.3165","","","","","","1.119","","","","has coordinates","294529","2024-09-06","00:19:46",""
"7249096","24.457","0.005","8.6861","0.0017","18.097","0.003","90","","90.435","0.009","90","","3844.3","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,4,5-trifluoro-1,3-phenylenediamine 15-crown-5, associate 1:1","","- C16 H25 F3 N2 O5 -","- C16 H25 F3 N2 O5 -","- C128 H200 F24 N16 O40 -","8","1","","Vaganova, Tamara; Gatilov, Yurij; Kryuchkova, Natalia; Pishchur, Denis; Malykhin, Evgenij","Competition of intermolecular interactions in the self-assembly of co-crystals of trifluoro-meta-arylenediamines (benzene, nitrobenzene, pyridine) with 12-, 15-, and 18-membered crown ethers","CrystEngComm","2024","26","34","4602","4616","10.1039/D4CE00612G","","","0.71073","MoKα","","0.1286","0.0954","","","0.2285","0.2499","","","","","","1.072","","","","has coordinates,has disorder","294531","2024-09-06","00:20:12",""
"7249097","11.5203","0.0014","11.5359","0.0015","11.8617","0.0017","106.975","0.005","108.55","0.004","90.001","0.005","1421.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Co-crystal of 2,4-diaminotrifluoronitrobenzene and 15-crown-5, 2:1","","- C22 H28 F6 N6 O9 -","- C22 H28 F6 N6 O9 -","- C44 H56 F12 N12 O18 -","2","1","","Vaganova, Tamara; Gatilov, Yurij; Kryuchkova, Natalia; Pishchur, Denis; Malykhin, Evgenij","Competition of intermolecular interactions in the self-assembly of co-crystals of trifluoro-meta-arylenediamines (benzene, nitrobenzene, pyridine) with 12-, 15-, and 18-membered crown ethers","CrystEngComm","2024","26","34","4602","4616","10.1039/D4CE00612G","","","0.71073","MoKα","","0.1015","0.0635","","","0.171","0.201","","","","","","1.031","","","","has coordinates,has disorder","294531","2024-09-06","00:20:12",""
"7249098","24.7949","0.0015","8.4611","0.0004","17.9811","0.001","90","","91.929","0.003","90","","3770.2","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Co-crystal of 2,4-diaminotrifluoropyridine and 15-crown-5, 1:1","","- C15 H24 F3 N3 O5 -","- C15 H24 F3 N3 O5 -","- C120 H192 F24 N24 O40 -","8","1","","Vaganova, Tamara; Gatilov, Yurij; Kryuchkova, Natalia; Pishchur, Denis; Malykhin, Evgenij","Competition of intermolecular interactions in the self-assembly of co-crystals of trifluoro-meta-arylenediamines (benzene, nitrobenzene, pyridine) with 12-, 15-, and 18-membered crown ethers","CrystEngComm","2024","26","34","4602","4616","10.1039/D4CE00612G","","","0.71073","MoKα","","0.1085","0.0754","","","0.186","0.2165","","","","","","1.079","","","","has coordinates,has disorder","294531","2024-09-06","00:20:13",""
"7249099","15.4617","0.0018","21.673","0.003","7.3234","0.0008","90","","90.584","0.005","90","","2454","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Co-crystal of 2,4-diaminotrifluoronitrobenzene and 12-crown-4, 2:1","","- C20 H24 F6 N6 O8 -","- C20 H24 F6 N6 O8 -","- C80 H96 F24 N24 O32 -","4","1","","Vaganova, Tamara; Gatilov, Yurij; Kryuchkova, Natalia; Pishchur, Denis; Malykhin, Evgenij","Competition of intermolecular interactions in the self-assembly of co-crystals of trifluoro-meta-arylenediamines (benzene, nitrobenzene, pyridine) with 12-, 15-, and 18-membered crown ethers","CrystEngComm","2024","26","34","4602","4616","10.1039/D4CE00612G","","","0.71073","MoKα","","0.1992","0.1404","","","0.4282","0.4467","","","","","","1.363","","","","has coordinates","294531","2024-09-06","00:20:13",""
"7249100","5.7104","0.0002","9.502","0.0004","10.2481","0.0005","88.963","0.002","87.032","0.002","81.176","0.002","548.72","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Co-crystal of 2,4-diaminotrifluoropyridine and 12-crown-4, 2:1","","- C18 H24 F6 N6 O4 -","- C18 H24 F6 N6 O4 -","- C18 H24 F6 N6 O4 -","1","0.5","","Vaganova, Tamara; Gatilov, Yurij; Kryuchkova, Natalia; Pishchur, Denis; Malykhin, Evgenij","Competition of intermolecular interactions in the self-assembly of co-crystals of trifluoro-meta-arylenediamines (benzene, nitrobenzene, pyridine) with 12-, 15-, and 18-membered crown ethers","CrystEngComm","2024","26","34","4602","4616","10.1039/D4CE00612G","","","0.71073","MoKα","","0.0458","0.0353","","","0.0987","0.1078","","","","","","1.057","","","","has coordinates","294531","2024-09-06","00:20:13",""
"7249101","30.2798","0.0012","6.8134","0.0003","14.1349","0.0006","90","","93.921","0.002","90","","2909.3","0.2","150","","150","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H11 Br2 N O -","- C16 H11 Br2 N O -","- C128 H88 Br16 N8 O8 -","8","2","","Parthasarathy, Thiyagaraj; Bhattacharya, Biswajit; Emmerling, Franziska; Ghosh, Soumyajit","Design of mechanically flexible photoresponsive cyanostilbene molecular crystals","CrystEngComm","2024","26","34","4634","4642","10.1039/D4CE00571F","","","0.71073","MoKα","","0.0527","0.0485","","","0.132","0.1341","","","","","","1.107","","","","has coordinates","294534","2024-09-06","00:21:09",""
"7249102","10.166","","10.246","","16.99","","105.02","","99.5","","99.93","","1642.2","","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H10 Cd N2 O10 -","- C20 H10 Cd N2 O10 -","- C40 H20 Cd2 N4 O20 -","2","1","","Alp Arici, Tuğba; Şevik, Melike; Kavak, Enes; Kavak, Emrah; Arici, Mürsel","Efficient removal of methylene blue by water-stable anionic coordination polymer in aqueous media","CrystEngComm","2024","26","32","4387","4394","10.1039/D4CE00634H","","","0.71073","MoKα","","0.0493","0.0428","","","0.1049","0.1083","","","","","","1.05","","","","has coordinates","294508","2024-09-06","00:13:55",""
"7249103","3.9865","0.0006","37.612","0.005","11.9718","0.0015","90","","95.365","0.01","90","","1787.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Niclosamide dimethyl formamide solvate","","- C16 H15 Cl2 N3 O5 -","- C16 H15 Cl2 N3 O5 -","- C64 H60 Cl8 N12 O20 -","4","1","","Kuri, Prasitaditya; Nanubolu, Jagadeesh Babu","Why does the niclosamide drug form solvates or hydrates?","CrystEngComm","2024","26","32","4313","4328","10.1039/D4CE00463A","","","0.71073","MoKα","","0.1259","0.0685","","","0.1421","0.1648","","","","","","1.041","","","","has coordinates","294505","2024-09-06","00:12:56",""
"7249104","10.3963","0.0004","20.4099","0.0007","9.9364","0.0004","90","","117.104","0.0018","90","","1876.84","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Niclosamide n,n-dimethyl acetamide solvate 1","","- C17 H17 Cl2 N3 O5 -","- C17 H17 Cl2 N3 O5 -","- C68 H68 Cl8 N12 O20 -","4","1","","Kuri, Prasitaditya; Nanubolu, Jagadeesh Babu","Why does the niclosamide drug form solvates or hydrates?","CrystEngComm","2024","26","32","4313","4328","10.1039/D4CE00463A","","","0.71073","MoKα","","0.0741","0.047","","","0.1119","0.1317","","","","","","1.052","","","","has coordinates","294505","2024-09-06","00:12:57",""
"7249105","16.821","0.016","11.538","0.01","9.082","0.008","90","","95.92","0.02","90","","1753","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Niclosamide dimethyl sulfoxide solvate","","- C15 H14 Cl2 N2 O5 S -","- C15 H14 Cl2 N2 O5 S -","- C60 H56 Cl8 N8 O20 S4 -","4","1","","Kuri, Prasitaditya; Nanubolu, Jagadeesh Babu","Why does the niclosamide drug form solvates or hydrates?","CrystEngComm","2024","26","32","4313","4328","10.1039/D4CE00463A","","","0.71073","MoKα","","0.0972","0.0413","","","0.0916","0.1112","","","","","","1.025","","","","has coordinates,has disorder","294505","2024-09-06","00:12:57",""
"7249106","7.5264","0.001","9.7054","0.0012","11.9792","0.0014","69.028","0.004","85.313","0.004","77.701","0.004","798.31","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Niclosamide dioxane solvate 1","","- C15 H12 Cl2 N2 O5 -","- C15 H12 Cl2 N2 O5 -","- C30 H24 Cl4 N4 O10 -","2","1","","Kuri, Prasitaditya; Nanubolu, Jagadeesh Babu","Why does the niclosamide drug form solvates or hydrates?","CrystEngComm","2024","26","32","4313","4328","10.1039/D4CE00463A","","","0.71073","MoKα","","0.1041","0.0438","","","0.0985","0.1258","","","","","","1.014","","","","has coordinates,has disorder","294505","2024-09-06","00:12:57",""
"7249107","11.4503","0.0005","12.5985","0.0005","14.5875","0.0007","66.0849","0.0014","87.5929","0.0015","64.4525","0.0012","1712.94","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Niclosamide dioxane solvate 2","","- C32 H28 Cl4 N4 O11 -","- C32 H28 Cl4 N4 O11 -","- C64 H56 Cl8 N8 O22 -","2","1","","Kuri, Prasitaditya; Nanubolu, Jagadeesh Babu","Why does the niclosamide drug form solvates or hydrates?","CrystEngComm","2024","26","32","4313","4328","10.1039/D4CE00463A","","","0.71073","MoKα","","0.1031","0.0527","","","0.1295","0.1671","","","","","","1.038","","","","has coordinates,has disorder","294505","2024-09-06","00:12:57",""
"7249108","7.434","0.0008","14.1832","0.0016","18.431","0.002","100.902","0.003","100.288","0.004","91.378","0.004","1874.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Niclosamide n,n-dimethyl acetamide solvate 2","","- C17 H17 Cl2 N3 O5 -","- C17 H17 Cl2 N3 O5 -","- C68 H68 Cl8 N12 O20 -","4","2","","Kuri, Prasitaditya; Nanubolu, Jagadeesh Babu","Why does the niclosamide drug form solvates or hydrates?","CrystEngComm","2024","26","32","4313","4328","10.1039/D4CE00463A","","","0.71073","MoKα","","0.1641","0.0519","","","0.1146","0.1614","","","","","","1.005","","","","has coordinates,has disorder","294505","2024-09-06","00:12:57",""
"7249109","16.0588","0.0007","10.0682","0.0004","18.9261","0.0008","90","","103.229","0.002","90","","2978.8","0.2","302","2","302.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N -","- C20 H15 N -","- C160 H120 N8 -","8","2","","Yang, Jia-Cheng; Liao, Mao-Lin; Li, Ping-Gui; Zou, Liang-Hua","A concise protocol for the synthesis of 2-alkenylindoles through [4 + 1] annulation of aminobenzyl phosphonium salts with acrylaldehydes","Green Chemistry","2024","26","17","9295","9299","10.1039/D4GC02859G","","","1.54178","CuKα","","0.0662","0.0457","","","0.1201","0.1353","","","","","","1.048","","","","has coordinates","294593","2024-09-06","01:32:03",""
"7249110","9.03","0.04","7.104","0.004","9.88","0.04","90","","101.4","0.5","90","","621","4","290.4","0.4","290.15","","","","1760000","","","Pressurized to 1.76 GPa.","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C40 H28 O4 -","2","0.5","","Hoser, Anna; Zwolenik, Aleksandra; Makal, Anna","On the importance of low-frequency modes in predicting pressure-induced phase transitions.","Physical chemistry chemical physics : PCCP","2024","26","31","20745","20749","10.1039/d4cp02368d","","","0.71073","MoKα","","0.2367","0.1269","","","0.3051","0.3888","","","","","","1.136","","","","has coordinates","296710","2024-12-06","20:51:11",""
"7249111","9.16","0.04","7.308","0.004","10.05","0.04","90","","100.1","0.4","90","","662","4","290.7","0.7","291.15","","","","560000","","","Pressurized to 0.56 GPa.","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C40 H28 O4 -","2","0.5","","Hoser, Anna; Zwolenik, Aleksandra; Makal, Anna","On the importance of low-frequency modes in predicting pressure-induced phase transitions.","Physical chemistry chemical physics : PCCP","2024","26","31","20745","20749","10.1039/d4cp02368d","","","0.71073","MoKα","","0.1404","0.0544","","","0.1206","0.1705","","","","","","1.047","","","","has coordinates","296710","2024-12-06","20:51:12",""
"7249112","8.017","0.003","23","0.03","7.369","0.003","90","","95.75","0.03","90","","1351.9","1.9","287","7","287.15","","","","510000","","","Pressurized to 0.51 GPa.","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Hoser, Anna; Zwolenik, Aleksandra; Makal, Anna","On the importance of low-frequency modes in predicting pressure-induced phase transitions.","Physical chemistry chemical physics : PCCP","2024","26","31","20745","20749","10.1039/d4cp02368d","","","0.71073","MoKα","","0.3215","0.148","","","0.1628","0.214","","","","","","1.158","","","","has coordinates","296710","2024-12-06","20:51:12",""
"7249113","9.2316","0.0002","7.44094","0.00015","10.0891","0.0002","90","","98.8945","0.0019","90","","684.7","0.02","280.1","0.1","280.1","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C40 H28 O4 -","2","0.5","","Hoser, Anna; Zwolenik, Aleksandra; Makal, Anna","On the importance of low-frequency modes in predicting pressure-induced phase transitions.","Physical chemistry chemical physics : PCCP","2024","26","31","20745","20749","10.1039/d4cp02368d","","","1.54184","CuKα","","0.0503","0.0467","","","0.143","0.1462","","","","","","1.099","","","","has coordinates","296710","2024-12-06","20:51:12",""
"7249114","7.901","0.002","22.685","0.005","6.897","0.011","90","","96.68","0.05","90","","1228","2","292.3","0.5","292.15","","","","2000000","","","Pressurized to 1.98 GPa.","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Hoser, Anna; Zwolenik, Aleksandra; Makal, Anna","On the importance of low-frequency modes in predicting pressure-induced phase transitions.","Physical chemistry chemical physics : PCCP","2024","26","31","20745","20749","10.1039/d4cp02368d","","","0.71073","MoKα","","0.2403","0.1015","","","0.2506","0.3586","","","","","","1.034","","","","has coordinates","296710","2024-12-06","20:51:12",""
"7249115","9.2009","0.0004","7.309","0.0003","10.0763","0.0005","90","","98.993","0.005","90","","669.3","0.05","100.01","0.1","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C40 H28 O4 -","2","0.5","","Hoser, Anna; Zwolenik, Aleksandra; Makal, Anna","On the importance of low-frequency modes in predicting pressure-induced phase transitions.","Physical chemistry chemical physics : PCCP","2024","26","31","20745","20749","10.1039/d4cp02368d","","","1.54184","CuKα","","0.0445","0.04","","","0.1081","0.1129","","","","","","1.07","","","","has coordinates","296710","2024-12-06","20:51:12",""
"7249116","7.1511","0.00013","10.90793","0.00019","17.7744","0.0003","90","","102.494","0.0019","90","","1353.63","0.04","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Hoser, Anna; Zwolenik, Aleksandra; Makal, Anna","On the importance of low-frequency modes in predicting pressure-induced phase transitions.","Physical chemistry chemical physics : PCCP","2024","26","31","20745","20749","10.1039/d4cp02368d","","x-ray","0.71073","MoKα","","0.0631","0.044","","","0.1198","0.1293","","","","","","1.043","","","","has coordinates","296710","2024-12-06","20:51:12",""
"7249117","8.0295","0.0001","23.1438","0.0004","7.4559","0.0001","90","","95.865","0.002","90","","1378.3","0.04","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Hoser, Anna; Zwolenik, Aleksandra; Makal, Anna","On the importance of low-frequency modes in predicting pressure-induced phase transitions.","Physical chemistry chemical physics : PCCP","2024","26","31","20745","20749","10.1039/d4cp02368d","","","1.54184","CuKα","","0.0522","0.0467","","","0.1414","0.1477","","","","","","1.093","","","","has coordinates","296710","2024-12-06","20:51:12",""
"7249118","8.1203","0.0001","23.1408","0.0004","7.5624","0.0001","90","","95.196","0.001","90","","1415.21","0.04","280","0.1","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Hoser, Anna; Zwolenik, Aleksandra; Makal, Anna","On the importance of low-frequency modes in predicting pressure-induced phase transitions.","Physical chemistry chemical physics : PCCP","2024","26","31","20745","20749","10.1039/d4cp02368d","","","1.54184","CuKα","","0.0613","0.0529","","","0.174","0.1839","","","","","","1.08","","","","has coordinates","296710","2024-12-06","20:51:12",""
"7249119","10.6934","0.0003","36.4837","0.0007","15.7079","0.0004","90","","98.7233","0.0019","90","","6057.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","No.167","","","- C55 H43 Cd2 N9 O13 -","- C55 H43 Cd2 N9 O13 -","- C220 H172 Cd8 N36 O52 -","4","1","","Tavakoli-Quchani, Fatemeh; Salimi, Alireza; Pour, Ali Nakhaei","Porosity control in pillar-layered MOF architectures: hydrogen bonding in amino-functionalized 2-D layers","CrystEngComm","2024","26","34","4708","4719","10.1039/D4CE00503A","","","1.54186","CuKα","","0.104","0.0627","","","0.1548","0.1719","","","","","","0.972","","","","has coordinates,has disorder","294526","2024-09-06","00:19:03",""
"7249120","30.1876","0.0008","20.3038","0.0006","20.5795","0.0006","90","","90","","90","","12613.6","0.6","100","2","100","2","","","","","","","","5","P c c a","-P 2a 2ac","54","No.176","","","- C52 H38 Cd2 N10 O12 -","- C52 H38 Cd2 N10 O12 -","- C416 H304 Cd16 N80 O96 -","8","1","","Tavakoli-Quchani, Fatemeh; Salimi, Alireza; Pour, Ali Nakhaei","Porosity control in pillar-layered MOF architectures: hydrogen bonding in amino-functionalized 2-D layers","CrystEngComm","2024","26","34","4708","4719","10.1039/D4CE00503A","","","1.54186","CuKα","","0.1877","0.1065","","","0.2648","0.3227","","","","","","1.023","","","","has coordinates,has disorder","294526","2024-09-06","00:19:03",""
"7249121","30.4034","0.0019","19.7177","0.0013","39.988","0.003","90","","90","","90","","23972","3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C110 H84 N18 O26 Zn4 -","- C110 H84 N18 O26 Zn4 -","- C880 H672 N144 O208 Zn32 -","8","1","","Tavakoli-Quchani, Fatemeh; Salimi, Alireza; Pour, Ali Nakhaei","Porosity control in pillar-layered MOF architectures: hydrogen bonding in amino-functionalized 2-D layers","CrystEngComm","2024","26","34","4708","4719","10.1039/D4CE00503A","","","0.71073","MoKα","","0.1983","0.1615","","","0.4143","0.4361","","","","","","1.05","","","","has coordinates,has disorder","294526","2024-09-06","00:19:03",""
"7249122","14.4882","0.0005","17.5369","0.0005","8.4421","0.0003","90","","100.351","0.003","90","","2110.04","0.12","293","","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Crown6KHSeO4_2H2O","","- C12 H29 K O12 Se -","- C12 H29 K O12 Se -","- C48 H116 K4 O48 Se4 -","4","1","","Ocak, Samet; Braga, Dario; d'Agostino, Simone","Effect of supramolecular complexation of alkali hydrogenselenates with crown ethers and solid-solutions with their hydrogensulfate counterparts on the solid-to-solid phase transition behaviors","CrystEngComm","2024","26","33","4525","4532","10.1039/D4CE00514G","","","0.71073","MoKα","","0.062","0.0541","","","0.1402","0.1453","","","","","","1.073","","","","has coordinates","294513","2024-09-06","00:15:04",""
"7249123","10.3093","0.0008","8.523","0.0006","21.5977","0.0015","90","","99.684","0.007","90","","1870.7","0.2","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H25 K O10 S0.5 Se0.5 -","- C12 H25 K O10 S0.5 Se0.5 -","- C48 H100 K4 O40 S2 Se2 -","4","1","","Ocak, Samet; Braga, Dario; d'Agostino, Simone","Effect of supramolecular complexation of alkali hydrogenselenates with crown ethers and solid-solutions with their hydrogensulfate counterparts on the solid-to-solid phase transition behaviors","CrystEngComm","2024","26","33","4525","4532","10.1039/D4CE00514G","","x-ray","0.71073","MoKα","","0.2703","0.08","","","0.1083","0.1624","","","","","","0.977","","","","has coordinates,has disorder","294513","2024-09-06","00:15:04",""
"7249124","22.1681","0.0014","9.9047","0.0004","20.5896","0.0012","90","","117.183","0.008","90","","4021.5","0.5","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Crown6RbHSeO4_H2O","","- C12 H27 O11 Rb Se -","- C12 H27 O11 Rb Se -","- C96 H216 O88 Rb8 Se8 -","8","1","","Ocak, Samet; Braga, Dario; d'Agostino, Simone","Effect of supramolecular complexation of alkali hydrogenselenates with crown ethers and solid-solutions with their hydrogensulfate counterparts on the solid-to-solid phase transition behaviors","CrystEngComm","2024","26","33","4525","4532","10.1039/D4CE00514G","","x-ray","0.71073","MoKα","","0.1335","0.0502","","","0.0531","0.0741","","","","","","0.932","","","","has coordinates","294513","2024-09-06","00:15:04",""
"7249125","10.3653","0.0005","8.5649","0.0006","21.582","0.0014","90","","100.137","0.005","90","","1886.1","0.2","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cr6KHSeO4","","- C12 H25 K O10 Se -","- C12 H25 K O10 Se -","- C48 H100 K4 O40 Se4 -","4","1","","Ocak, Samet; Braga, Dario; d'Agostino, Simone","Effect of supramolecular complexation of alkali hydrogenselenates with crown ethers and solid-solutions with their hydrogensulfate counterparts on the solid-to-solid phase transition behaviors","CrystEngComm","2024","26","33","4525","4532","10.1039/D4CE00514G","","x-ray","0.71073","MoKα","","0.2256","0.0998","","","0.1636","0.2103","","","","","","1.045","","","","has coordinates","294513","2024-09-06","00:15:04",""
"7249126","23.7101","0.0016","8.4597","0.0007","21.3553","0.0018","90","","109.486","0.009","90","","4038.1","0.6","300","","300","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Cr6CsHSeO4_H2O","","- C12 H24 Cs O11 Se -","- C12 H24 Cs O11 Se -","- C96 H192 Cs8 O88 Se8 -","8","1","","Ocak, Samet; Braga, Dario; d'Agostino, Simone","Effect of supramolecular complexation of alkali hydrogenselenates with crown ethers and solid-solutions with their hydrogensulfate counterparts on the solid-to-solid phase transition behaviors","CrystEngComm","2024","26","33","4525","4532","10.1039/D4CE00514G","","x-ray","0.71073","MoKα","","0.2828","0.0794","","","0.1312","0.1888","","","","","","0.809","","","","has coordinates","294513","2024-09-06","00:15:04",""
"7249127","14.8893","0.0005","6.2149","0.0002","9.0927","0.0003","90","","93.663","0.003","90","","839.68","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 O4 P -","- C7 H10 O4 P -","- C28 H40 O16 P4 -","4","1","","Almuhana, Asia R. Y.; Griffin, Sarah L.; Champness, Neil R.","Amidinium⋯phosphonate charge assisted hydrogen-bonded organic frameworks: influence of diverse intermolecular interactions","CrystEngComm","2024","26","34","4643","4648","10.1039/D4CE00479E","","x-ray","1.54184","CuKα","","0.0556","0.0495","","","0.1391","0.1484","","","","","","1.149","","","","has coordinates","294527","2024-09-06","00:19:19",""
"7249128","5.51236","0.00003","15.23409","0.00008","19.29148","0.00011","90","","97.9423","0.0006","90","","1604.48","0.015","100","0.1","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N O5 P -","- C18 H18 N O5 P -","- C72 H72 N4 O20 P4 -","4","1","","Almuhana, Asia R. Y.; Griffin, Sarah L.; Champness, Neil R.","Amidinium⋯phosphonate charge assisted hydrogen-bonded organic frameworks: influence of diverse intermolecular interactions","CrystEngComm","2024","26","34","4643","4648","10.1039/D4CE00479E","","","1.54184","CuKα","","0.0305","0.0303","","","0.08","0.0802","","","","","","1.046","","","","has coordinates","294527","2024-09-06","00:19:19",""
"7249129","12.0665","0.0002","13.6291","0.0003","15.2147","0.0002","90","","92.989","0.001","90","","2498.74","0.08","100.02","0.16","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 N2 O4 P -","- C11 H13 N2 O3 P -","- C88 H104 N16 O24 P8 -","8","1","","Almuhana, Asia R. Y.; Griffin, Sarah L.; Champness, Neil R.","Amidinium⋯phosphonate charge assisted hydrogen-bonded organic frameworks: influence of diverse intermolecular interactions","CrystEngComm","2024","26","34","4643","4648","10.1039/D4CE00479E","","","1.54178","CuKα","","0.1311","0.1162","","","0.2165","0.2245","","","","","","1.068","","","","has coordinates,has disorder","294527","2024-09-06","00:19:19",""
"7249130","10.7489","0.0001","11.1092","0.0001","28.1083","0.0002","92.98","0.001","92.563","0.001","102.701","0.001","3264.47","0.05","100","0.1","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C96 H172 N24 O62 P4 -","- C96 H92 N24 O22 P4 -","- C96 H92 N24 O22 P4 -","1","0.5","","Almuhana, Asia R. Y.; Griffin, Sarah L.; Champness, Neil R.","Amidinium⋯phosphonate charge assisted hydrogen-bonded organic frameworks: influence of diverse intermolecular interactions","CrystEngComm","2024","26","34","4643","4648","10.1039/D4CE00479E","","","1.54184","CuKα","","0.0978","0.0923","","","0.2687","0.2732","","","","","","1.127","","","","has coordinates","294527","2024-09-06","00:19:19",""
"7249131","15.6222","0.0001","11.8985","0.0001","19.7101","0.0001","90","","105.198","0.001","90","","3535.59","0.04","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C47 H36 N2 O2 S2 -","- C47 H36 N2 O2 S2 -","- C188 H144 N8 O8 S8 -","4","0.5","","Younes, Eyad A.; AL-Snaid, Amneh M.; Abu-Safieh, Kayed A.; Salami, Fatemeh; Aljaar, Nayyef; Zhao, Yuming","Synthesis and characterization of 2-(anthracene-9-yl)-4,5-diphenyl-1H-imidazole derivatives as environmentally sensitive fluorophores","RSC Advances","2024","14","32","23511","23519","10.1039/D4RA03735A","","x-ray","1.54184","CuKα","","0.0393","0.0386","","","0.0956","0.096","","","","","","1.04","","","","has coordinates,has disorder","293578","2024-07-28","01:15:13",""
"7249132","15.5732","0.0003","11.1891","0.0003","28.367","0.0006","90","","90","","90","","4942.95","0.19","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C30 H20 Br2 N2 -","- C30 H20 Br2 N2 -","- C240 H160 Br16 N16 -","8","2","","Younes, Eyad A.; AL-Snaid, Amneh M.; Abu-Safieh, Kayed A.; Salami, Fatemeh; Aljaar, Nayyef; Zhao, Yuming","Synthesis and characterization of 2-(anthracene-9-yl)-4,5-diphenyl-1H-imidazole derivatives as environmentally sensitive fluorophores","RSC Advances","2024","14","32","23511","23519","10.1039/D4RA03735A","","x-ray","1.54184","CuKα","","0.0548","0.0471","","","0.129","0.1448","","","","","","1.093","","","","has coordinates","293578","2024-07-28","01:15:14",""
"7249133","11.5722","0.0001","13.9231","0.0002","24.5599","0.0003","91.477","0.001","94.074","0.001","99.887","0.001","3885.59","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H28 N2 S2 -","- C45 H28 N2 S2 -","- C180 H112 N8 S8 -","4","2","","Younes, Eyad A.; AL-Snaid, Amneh M.; Abu-Safieh, Kayed A.; Salami, Fatemeh; Aljaar, Nayyef; Zhao, Yuming","Synthesis and characterization of 2-(anthracene-9-yl)-4,5-diphenyl-1H-imidazole derivatives as environmentally sensitive fluorophores","RSC Advances","2024","14","32","23511","23519","10.1039/D4RA03735A","","x-ray","1.54184","CuKα","","0.0481","0.0432","","","0.1043","0.107","","","","","","1.065","","","","has coordinates","293578","2024-07-28","01:15:14",""
"7249134","14.3775","0.0001","15.7779","0.0002","23.0024","0.0002","84.715","0.001","78.893","0.001","72.816","0.001","4888.27","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29.9 H19.4 Br2 Cl0.2 N2.4 -","- C29.902 H19.402 Br2 Cl0.196 N2.402 -","- C239.216 H155.216 Br16 Cl1.568 N19.216 -","8","4","","Younes, Eyad A.; AL-Snaid, Amneh M.; Abu-Safieh, Kayed A.; Salami, Fatemeh; Aljaar, Nayyef; Zhao, Yuming","Synthesis and characterization of 2-(anthracene-9-yl)-4,5-diphenyl-1H-imidazole derivatives as environmentally sensitive fluorophores","RSC Advances","2024","14","32","23511","23519","10.1039/D4RA03735A","","x-ray","1.54184","CuKα","","0.0536","0.0455","","","0.1087","0.1139","","","","","","1.055","","","","has coordinates,has disorder","293578","2024-07-28","01:15:14",""
"7249135","14.904","0.004","21.449","0.006","9.772","0.003","90","","110.651","0.003","90","","2923.2","1.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H39 Cl O7 -","- C31.9988 H38.999 Cl0.9998 O7 -","- C127.995 H155.996 Cl3.9992 O28 -","4","0.5","","Kawahata, Masatoshi; Hyodo, Tadashi; Kondo, Rina; Tominaga, Masahide; Yamaguchi, Kentaro","Inclusion of halobenzene in water-mediated hydrogen-bonded architectures built from a V-shaped host molecule","CrystEngComm","2024","26","32","4272","4277","10.1039/D4CE00616J","","","0.71073","MoKα","","0.0522","0.0372","","","0.0935","0.1016","","","","","","1.056","","","","has coordinates,has disorder","294503","2024-09-06","00:12:35",""
"7249136","14.823","0.007","21.293","0.007","9.842","0.004","90","","109.908","0.006","90","","2921","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31.69 H38.74 Br0.95 O7 -","- C31.7 H38.75 Br0.95 O7 -","- C126.8 H155 Br3.8 O28 -","4","0.5","","Kawahata, Masatoshi; Hyodo, Tadashi; Kondo, Rina; Tominaga, Masahide; Yamaguchi, Kentaro","Inclusion of halobenzene in water-mediated hydrogen-bonded architectures built from a V-shaped host molecule","CrystEngComm","2024","26","32","4272","4277","10.1039/D4CE00616J","","","0.71073","MoKα","","0.0737","0.0583","","","0.1449","0.1502","","","","","","1.009","","","","has coordinates,has disorder","294503","2024-09-06","00:12:35",""
"7249137","14.717","0.003","21.315","0.005","9.962","0.002","90","","109.453","0.003","90","","2946.6","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H39 I O7 -","- C32 H39 I O7 -","- C128 H156 I4 O28 -","4","0.5","","Kawahata, Masatoshi; Hyodo, Tadashi; Kondo, Rina; Tominaga, Masahide; Yamaguchi, Kentaro","Inclusion of halobenzene in water-mediated hydrogen-bonded architectures built from a V-shaped host molecule","CrystEngComm","2024","26","32","4272","4277","10.1039/D4CE00616J","","","0.71073","MoKα","","0.0509","0.0358","","","0.0761","0.0809","","","","","","1.074","","","","has coordinates,has disorder","294503","2024-09-06","00:12:35",""
"7249138","9.71","0.004","13.163","0.005","13.202","0.005","111.592","0.004","103.293","0.004","98.851","0.004","1473","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H38 Cl2 O7 -","- C32 H38 Cl2 O7 -","- C64 H76 Cl4 O14 -","2","1","","Kawahata, Masatoshi; Hyodo, Tadashi; Kondo, Rina; Tominaga, Masahide; Yamaguchi, Kentaro","Inclusion of halobenzene in water-mediated hydrogen-bonded architectures built from a V-shaped host molecule","CrystEngComm","2024","26","32","4272","4277","10.1039/D4CE00616J","","","0.71073","MoKα","","0.0758","0.0506","","","0.1233","0.1358","","","","","","1.056","","","","has coordinates","294503","2024-09-06","00:12:35",""
"7249139","11.97","0.002","12.882","0.002","18.795","0.003","91.412","0.002","100.706","0.002","91.957","0.002","2844.6","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C62.25 H64.88 Cl3.38 O12 -","- C62.244 H64.87 Cl3.374 O12 -","- C124.488 H129.74 Cl6.748 O24 -","2","1","","Kawahata, Masatoshi; Hyodo, Tadashi; Kondo, Rina; Tominaga, Masahide; Yamaguchi, Kentaro","Inclusion of halobenzene in water-mediated hydrogen-bonded architectures built from a V-shaped host molecule","CrystEngComm","2024","26","32","4272","4277","10.1039/D4CE00616J","","","0.71073","MoKα","","0.0643","0.0468","","","0.1134","0.1223","","","","","","1.026","","","","has coordinates,has disorder","294503","2024-09-06","00:12:35",""
"7249140","5.4959","0.0001","15.2745","0.0003","13.9065","0.0002","90","","90.756","0.001","90","","1167.31","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 N2 O5 S2 -","- C10 H10 N2 O5 S2 -","- C40 H40 N8 O20 S8 -","4","1","","Liu, Lu; Zhang, Le-Tian; Yuan, Feng-Chen; Ren, Hong-Xia; Ma, Yue; Wang, Qing-Lun","Extended viologen compounds with photochromism, photoresponsive luminescence and ultrahigh quenching efficiency","CrystEngComm","2024","26","33","4431","4438","10.1039/D4CE00615A","","","1.54184","CuKα","","0.0439","0.0417","","","0.1123","0.1136","","","","","","1.094","","","","has coordinates","294515","2024-09-06","00:15:21",""
"7249141","8.3132","0.0002","8.5739","0.0002","16.6728","0.0004","81.781","0.002","88.042","0.002","89.048","0.002","1175.4","0.05","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Br2 Cd N4 O5 S2 -","- C20 H18 Br2 Cd N4 O5 S2 -","- C40 H36 Br4 Cd2 N8 O10 S4 -","2","1","","Liu, Lu; Zhang, Le-Tian; Yuan, Feng-Chen; Ren, Hong-Xia; Ma, Yue; Wang, Qing-Lun","Extended viologen compounds with photochromism, photoresponsive luminescence and ultrahigh quenching efficiency","CrystEngComm","2024","26","33","4431","4438","10.1039/D4CE00615A","","","1.54184","CuKα","","0.0315","0.0293","","","0.0777","0.0784","","","","","","1.072","","","","has coordinates","294515","2024-09-06","00:15:21",""
"7249142","11.9566","0.0004","12.1665","0.0003","16.0453","0.0005","90","","92.158","0.003","90","","2332.45","0.12","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 Br N2 O2.5 S Zn0.5 -","- C10 H9 Br N2 O2.5 S Zn0.5 -","- C80 H72 Br8 N16 O20 S8 Zn4 -","8","1","","Liu, Lu; Zhang, Le-Tian; Yuan, Feng-Chen; Ren, Hong-Xia; Ma, Yue; Wang, Qing-Lun","Extended viologen compounds with photochromism, photoresponsive luminescence and ultrahigh quenching efficiency","CrystEngComm","2024","26","33","4431","4438","10.1039/D4CE00615A","","","0.71073","MoKα","","0.0261","0.0216","","","0.0533","0.0545","","","","","","1.037","","","","has coordinates","294515","2024-09-06","00:15:21",""
"7249143","14.3911","0.0009","4.9722","0.0003","13.1778","0.0008","90","","91.829","0.006","90","","942.46","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-(Trifluoromethyl)cinnamic acid","trans-3-(trifluoromehtyl)cinnamic acid","","- C10 H7 F3 O2 -","- C10 H7 F3 O2 -","- C40 H28 F12 O8 -","4","1","","Ulambayar, Bayasgalan; Batchuluun, Khongorzul; Bariashir, Chantsalnyam; Uranbileg, Nergui; Stammler, Felix J.; Davaasambuu, Jav; Schrader, Tobias E.","Using potassium bromide pellets and optical spectroscopy to assess the photodimerization of two trans-(trifluoromethyl)-cinnamic acid compounds","CrystEngComm","2024","26","33","4470","4477","10.1039/D4CE00205A","","x-ray","0.71073","MoKα","","0.0808","0.0584","","","0.1356","0.1474","","","","","","1.106","","","","has coordinates,has disorder","294512","2024-09-06","00:14:51",""
"7249144","7.893","0.0005","8.2222","0.0006","14.6037","0.0012","89.86","0.006","88.678","0.006","82.349","0.006","939.06","0.12","293","","293","","","","","","","","","4","P -1","-P 1","2","","trans-4-(trifluoromethyl)cinnamic acid illuminated to beta-truxinic acid","","- C20 H14 F6 O4 -","- C20 H14 F6 O4 -","- C40 H28 F12 O8 -","2","1","","Ulambayar, Bayasgalan; Batchuluun, Khongorzul; Bariashir, Chantsalnyam; Uranbileg, Nergui; Stammler, Felix J.; Davaasambuu, Jav; Schrader, Tobias E.","Using potassium bromide pellets and optical spectroscopy to assess the photodimerization of two trans-(trifluoromethyl)-cinnamic acid compounds","CrystEngComm","2024","26","33","4470","4477","10.1039/D4CE00205A","","x-ray","0.71073","MoKα","","0.1446","0.0905","","","0.2737","0.323","","","","","","1.049","","","","has coordinates,has disorder","294512","2024-09-06","00:14:51",""
"7249145","7.8672","0.0005","7.9953","0.0006","14.9972","0.0011","91.368","0.006","93.753","0.005","94.796","0.005","937.61","0.12","293","2","293","","","","","","","","","4","P -1","-P 1","2","trans-4-(trifluoromethyl) cinnamic acid","trans-4-(trifluoromethyl) cinnamic acid","","- C10 H7 F3 O2 -","- C10 H7 F3 O2 -","- C40 H28 F12 O8 -","4","2","","Ulambayar, Bayasgalan; Batchuluun, Khongorzul; Bariashir, Chantsalnyam; Uranbileg, Nergui; Stammler, Felix J.; Davaasambuu, Jav; Schrader, Tobias E.","Using potassium bromide pellets and optical spectroscopy to assess the photodimerization of two trans-(trifluoromethyl)-cinnamic acid compounds","CrystEngComm","2024","26","33","4470","4477","10.1039/D4CE00205A","","","0.71073","MoKα","","0.0757","0.0498","","","0.1529","0.171","","","","","","1.071","","","","has coordinates,has disorder","294512","2024-09-06","00:14:51",""
"7249146","6.8624","0.0007","13.4464","0.0016","19.361","0.002","90","","90","","90","","1786.5","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H18 N4 Ni O8 -","- C16 H18 N4 Ni O8 -","- C64 H72 N16 Ni4 O32 -","4","0.5","","Feng, Shaoqiang; Xie, Fengxia; Wan, Chengan; Zhang, Feng; Feng, Lei; Wen, Chen; Liang, Xiaoqiang","Impact of the number of hydrogen bonds on proton conductivity in metallo-hydrogen-bonded organic frameworks: the more the number of hydrogen bonds, the better the proton conductivity at the maximum relative humidity","CrystEngComm","2024","26","35","4855","4870","10.1039/D4CE00480A","","","0.71073","MoKα","","0.1211","0.0593","","","0.1037","0.1241","","","","","","1.042","","","","has coordinates","295230","2024-10-06","07:33:54",""
"7249147","13.9347","0.0015","7.1605","0.0008","8.9773","0.001","90","","95.289","0.004","90","","891.94","0.17","170","2","170","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C16 H22 N8 Ni O4 -","- C16 H22 N8 Ni O4 -","- C32 H44 N16 Ni2 O8 -","2","0.25","","Feng, Shaoqiang; Xie, Fengxia; Wan, Chengan; Zhang, Feng; Feng, Lei; Wen, Chen; Liang, Xiaoqiang","Impact of the number of hydrogen bonds on proton conductivity in metallo-hydrogen-bonded organic frameworks: the more the number of hydrogen bonds, the better the proton conductivity at the maximum relative humidity","CrystEngComm","2024","26","35","4855","4870","10.1039/D4CE00480A","","","1.34138","GaKα","","0.0378","0.035","","","0.0845","0.0859","","","","","","1.084","","","","has coordinates","295230","2024-10-06","07:33:55",""
"7249148","10.27","0.002","10.497","0.002","13.887","0.003","73.266","0.007","81.446","0.007","85.763","0.006","1417","0.5","299.18","","299.18","","","","","","","","","6","P -1","-P 1","2","","","","- C22.4 H19.8 Cl N4 O4.2 S3 -","- C20 H15 Cl N4 O3 S3 -","- C40 H30 Cl2 N8 O6 S6 -","2","1","","Maji, Avik; Himaja, Ambati; Nikhitha, Sripathi; Rana, Soumitra; Paul, Abhik; Samanta, Ajeya; Shee, Uday; Mukhopadhyay, Chhanda; Ghosh, Balaram; Maity, Tapan Kumar","Synthesis and antiproliferative potency of 1,3,4-thiadiazole and 1,3-thiazolidine-4-one based new binary heterocyclic molecules: in vitro cell-based anticancer studies","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00279B","","","0.71073","MoKα","","0.0654","0.0514","","","0.1523","0.1688","","","","","","1.019","","","","has coordinates","293610","2024-08-01","00:07:22",""
"7249149","10.146","0.002","17.022","0.005","15.237","0.004","90","","101.398","0.007","90","","2579.6","1.1","298.95","","298.95","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Cl2 N4 O3 S4 -","- C19 H12 Cl2 N4 O2 S3 -","- C76 H48 Cl8 N16 O8 S12 -","4","1","","Maji, Avik; Himaja, Ambati; Nikhitha, Sripathi; Rana, Soumitra; Paul, Abhik; Samanta, Ajeya; Shee, Uday; Mukhopadhyay, Chhanda; Ghosh, Balaram; Maity, Tapan Kumar","Synthesis and antiproliferative potency of 1,3,4-thiadiazole and 1,3-thiazolidine-4-one based new binary heterocyclic molecules: in vitro cell-based anticancer studies","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00279B","","","0.71073","MoKα","","0.11","0.058","","","0.1533","0.1938","","","","","","1.026","","","","has coordinates","293610","2024-08-01","00:07:24",""
"7249150","8.7426","0.0003","8.8249","0.0003","15.7395","0.0005","90","","90","","90","","1214.34","0.07","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 F3 N2 O5 S -","- C8 H11 F3 N2 O5 S -","- C32 H44 F12 N8 O20 S4 -","4","1","","Mahdavi, Seyedehmahbobeh; Bockfeld, Dirk; Esarev, Igor V.; Lippmann, Petra; Frank, René; Brönstrup, Mark; Ott, Ingo; Tamm, Matthias","Gold(I) and Gold(III) Carbene Complexes from the Marine Betaine Norzooanemonin: Inhibition of Thioredoxin Reductase, Anti-proliferative and Antimicrobial Activity","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00358F","","x-ray","0.71073","MoKα","","0.0304","0.0266","","","0.0695","0.0711","","","","","","1.035","","","","has coordinates","293611","2024-08-01","00:08:27",""
"7249151","20.6354","0.0011","6.9529","0.0003","31.3133","0.0017","90","","108.983","0.006","90","","4248.4","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 Au F3 N4 O7 S -","- C15 H20 Au F3 N4 O7 S -","- C120 H160 Au8 F24 N32 O56 S8 -","8","2","","Mahdavi, Seyedehmahbobeh; Bockfeld, Dirk; Esarev, Igor V.; Lippmann, Petra; Frank, René; Brönstrup, Mark; Ott, Ingo; Tamm, Matthias","Gold(I) and Gold(III) Carbene Complexes from the Marine Betaine Norzooanemonin: Inhibition of Thioredoxin Reductase, Anti-proliferative and Antimicrobial Activity","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00358F","","x-ray","0.71073","MoKα","","0.0848","0.0618","","","0.1143","0.1211","","","","","","1.049","","","","has coordinates","293611","2024-08-01","00:08:28",""
"7249152","8.1082","0.0007","8.1979","0.001","9.6164","0.0011","79.2","0.01","88.373","0.008","66.083","0.01","573.16","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H13 B F4 N2 O2 -","- C8 H13 B F4 N2 O2 -","- C16 H26 B2 F8 N4 O4 -","2","1","","Mahdavi, Seyedehmahbobeh; Bockfeld, Dirk; Esarev, Igor V.; Lippmann, Petra; Frank, René; Brönstrup, Mark; Ott, Ingo; Tamm, Matthias","Gold(I) and Gold(III) Carbene Complexes from the Marine Betaine Norzooanemonin: Inhibition of Thioredoxin Reductase, Anti-proliferative and Antimicrobial Activity","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00358F","","x-ray","1.54184","CuKα","","0.1366","0.102","","","0.2657","0.2979","","","","","","1.102","","","","has coordinates","293611","2024-08-01","00:08:28",""
"7249153","8.21","0.0002","11.0977","0.0002","19.0738","0.0005","90","","98.627","0.002","90","","1718.19","0.07","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 Au Cl6 D N2 O2 -","- C9 H12 Au Cl6 D N2 O2 -","- C36 H48 Au4 Cl24 D4 N8 O8 -","4","1","","Mahdavi, Seyedehmahbobeh; Bockfeld, Dirk; Esarev, Igor V.; Lippmann, Petra; Frank, René; Brönstrup, Mark; Ott, Ingo; Tamm, Matthias","Gold(I) and Gold(III) Carbene Complexes from the Marine Betaine Norzooanemonin: Inhibition of Thioredoxin Reductase, Anti-proliferative and Antimicrobial Activity","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00358F","","x-ray","0.71073","MoKα","","0.0601","0.0344","","","0.0614","0.0676","","","","","","1.024","","","","has coordinates","293611","2024-08-01","00:08:29",""
"7249154","17.5275","0.0004","7.06271","0.00017","17.9398","0.0004","90","","96.314","0.002","90","","2207.33","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Au Cl N2 O2 -","- C8 H12 Au Cl N2 O2 -","- C64 H96 Au8 Cl8 N16 O16 -","8","2","","Mahdavi, Seyedehmahbobeh; Bockfeld, Dirk; Esarev, Igor V.; Lippmann, Petra; Frank, René; Brönstrup, Mark; Ott, Ingo; Tamm, Matthias","Gold(I) and Gold(III) Carbene Complexes from the Marine Betaine Norzooanemonin: Inhibition of Thioredoxin Reductase, Anti-proliferative and Antimicrobial Activity","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00358F","","x-ray","0.71073","MoKα","","0.0405","0.0262","","","0.0435","0.046","","","","","","1.022","","","","has coordinates","293611","2024-08-01","00:08:29",""
"7249155","9.8429","0.0001","10.4605","0.0001","12.6806","0.0002","82.846","0.001","85.097","0.001","65.348","0.001","1176.57","0.03","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C15 H20 Au Cl2 F3 N4 O7 S -","- C15 H20 Au Cl2 F3 N4 O7 S -","- C30 H40 Au2 Cl4 F6 N8 O14 S2 -","2","1","","Mahdavi, Seyedehmahbobeh; Bockfeld, Dirk; Esarev, Igor V.; Lippmann, Petra; Frank, René; Brönstrup, Mark; Ott, Ingo; Tamm, Matthias","Gold(I) and Gold(III) Carbene Complexes from the Marine Betaine Norzooanemonin: Inhibition of Thioredoxin Reductase, Anti-proliferative and Antimicrobial Activity","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00358F","","x-ray","0.71073","MoKα","","0.0889","0.0718","","","0.201","0.2122","","","","","","1.055","","","","has coordinates","293611","2024-08-01","00:08:29",""
"7249156","7.02","0.0006","10.3525","0.001","15.2507","0.0017","86.57","0.008","79.101","0.009","76.542","0.008","1058.32","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H24 Au B F4 N4 O4 -","- C16 H24 Au B F4 N4 O4 -","- C32 H48 Au2 B2 F8 N8 O8 -","2","1","","Mahdavi, Seyedehmahbobeh; Bockfeld, Dirk; Esarev, Igor V.; Lippmann, Petra; Frank, René; Brönstrup, Mark; Ott, Ingo; Tamm, Matthias","Gold(I) and Gold(III) Carbene Complexes from the Marine Betaine Norzooanemonin: Inhibition of Thioredoxin Reductase, Anti-proliferative and Antimicrobial Activity","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00358F","","x-ray","1.54184","CuKα","","0.1674","0.1326","","","0.3468","0.3902","","","","","","1.613","","","","has coordinates,has disorder","293611","2024-08-01","00:08:30",""
"7249157","10.7651","0.0002","10.9548","0.0002","11.9269","0.0002","66.2328","0.0018","83.8452","0.0016","62.158","0.002","1132.52","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H8 Au Cl3 N2 O2 -","- C6 H8 Au Cl3 N2 O2 -","- C24 H32 Au4 Cl12 N8 O8 -","4","2","","Mahdavi, Seyedehmahbobeh; Bockfeld, Dirk; Esarev, Igor V.; Lippmann, Petra; Frank, René; Brönstrup, Mark; Ott, Ingo; Tamm, Matthias","Gold(I) and Gold(III) Carbene Complexes from the Marine Betaine Norzooanemonin: Inhibition of Thioredoxin Reductase, Anti-proliferative and Antimicrobial Activity","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00358F","","x-ray","0.71073","MoKα","","0.0395","0.0267","","","0.0652","0.0688","","","","","","1.078","","","","has coordinates","293611","2024-08-01","00:08:30",""
"7249158","7.68619","0.00011","17.2395","0.0003","15.2298","0.0002","90","","92.2421","0.0014","90","","2016.5","0.05","109","2","109","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 Au Cl N2 O2 -","- C7 H10 Au Cl N2 O2 -","- C56 H80 Au8 Cl8 N16 O16 -","8","2","","Mahdavi, Seyedehmahbobeh; Bockfeld, Dirk; Esarev, Igor V.; Lippmann, Petra; Frank, René; Brönstrup, Mark; Ott, Ingo; Tamm, Matthias","Gold(I) and Gold(III) Carbene Complexes from the Marine Betaine Norzooanemonin: Inhibition of Thioredoxin Reductase, Anti-proliferative and Antimicrobial Activity","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00358F","","x-ray","0.71073","MoKα","","0.0403","0.027","","","0.0609","0.0641","","","","","","1.066","","","","has coordinates","293611","2024-08-01","00:08:30",""
"7249159","10.9098","0.0004","11.4446","0.0004","21.1235","0.0004","104.139","0.002","92.906","0.002","107.309","0.003","2419.95","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 H24 Au B Cl2 F4 N4 O4 -","- C16 H24 Au B Cl2 F4 N4 O4 -","- C64 H96 Au4 B4 Cl8 F16 N16 O16 -","4","2","","Mahdavi, Seyedehmahbobeh; Bockfeld, Dirk; Esarev, Igor V.; Lippmann, Petra; Frank, René; Brönstrup, Mark; Ott, Ingo; Tamm, Matthias","Gold(I) and Gold(III) Carbene Complexes from the Marine Betaine Norzooanemonin: Inhibition of Thioredoxin Reductase, Anti-proliferative and Antimicrobial Activity","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00358F","","x-ray","1.54184","CuKα","","0.0396","0.0371","","","0.1176","0.12","","","","","","1.142","","","","has coordinates,has disorder","293611","2024-08-01","00:08:30",""
"7249160","7.9945","0.0002","10.9103","0.0002","19.0105","0.0004","90","","100.267","0.002","90","","1631.59","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 Au Cl6 N2 O2 -","- C8 H11 Au Cl6 N2 O2 -","- C32 H44 Au4 Cl24 N8 O8 -","4","1","","Mahdavi, Seyedehmahbobeh; Bockfeld, Dirk; Esarev, Igor V.; Lippmann, Petra; Frank, René; Brönstrup, Mark; Ott, Ingo; Tamm, Matthias","Gold(I) and Gold(III) Carbene Complexes from the Marine Betaine Norzooanemonin: Inhibition of Thioredoxin Reductase, Anti-proliferative and Antimicrobial Activity","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00358F","","x-ray","0.71073","MoKα","","0.064","0.0357","","","0.075","0.0842","","","","","","1.011","","","","has coordinates","293611","2024-08-01","00:08:31",""
"7249161","7.621","0.0014","10.7471","0.0018","24.768","0.004","90","","90","","90","","2028.6","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[RuCl(p-cymene)(1-ClPh-3-Pyridiltriazenide)]","","- C21 H22 Cl2 N4 Ru -","- C21 H22 Cl2 N4 Ru -","- C84 H88 Cl8 N16 Ru4 -","4","1","","Romero-Soto, Christian A.; Iglesias, Ana L.; Velázquez-Ham, Amor F.; Camarena-Díaz, Juan P.; Correa-Ayala, Erick; Gomez-Lopez, Jessica L.; Chávez, Daniel; Ochoa-Terán, Adrián; Aguirre, Gerardo; Rheingold, Arnold L.; Grotjahn, Douglas B.; Parra-Hake, Miguel; Miranda-Soto, Valentín","Ruthenium complexes with triazenide ligands bearing an N-heterocyclic moiety, and their catalytic properties in the reduction of nitroarenes","RSC Advances","2024","14","33","24019","24030","10.1039/D4RA04813J","","","0.71073","MoKα","","0.0409","0.0329","","","0.0578","0.0601","","","","","","1.037","","","","has coordinates","293615","2024-08-01","01:25:49",""
"7249162","7.9615","0.0001","11.8552","0.0001","25.7291","0.0002","90","","90","","90","","2428.45","0.04","293.4","0.3","293.4","0.3","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","RuCl-triazenide-Quinoline","[RuCl(1-ClPh-3-quinolinetriazenide)(p-cymene)]","","- C25 H24 Cl2 N4 Ru -","- C25 H24 Cl2 N4 Ru -","- C100 H96 Cl8 N16 Ru4 -","4","1","","Romero-Soto, Christian A.; Iglesias, Ana L.; Velázquez-Ham, Amor F.; Camarena-Díaz, Juan P.; Correa-Ayala, Erick; Gomez-Lopez, Jessica L.; Chávez, Daniel; Ochoa-Terán, Adrián; Aguirre, Gerardo; Rheingold, Arnold L.; Grotjahn, Douglas B.; Parra-Hake, Miguel; Miranda-Soto, Valentín","Ruthenium complexes with triazenide ligands bearing an N-heterocyclic moiety, and their catalytic properties in the reduction of nitroarenes","RSC Advances","2024","14","33","24019","24030","10.1039/D4RA04813J","","x-ray","1.54184","CuKα","","0.0321","0.0309","","","0.0779","0.0787","","","","","","1.043","","","","has coordinates","293615","2024-08-01","01:25:51",""
"7249163","20.5077","0.0012","7.6529","0.0003","26.1253","0.0017","90","","90","","90","","4100.2","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H22 Cl2 N4 Ru -","- C21 H22 Cl2 N4 Ru -","- C168 H176 Cl16 N32 Ru8 -","8","1","","Romero-Soto, Christian A.; Iglesias, Ana L.; Velázquez-Ham, Amor F.; Camarena-Díaz, Juan P.; Correa-Ayala, Erick; Gomez-Lopez, Jessica L.; Chávez, Daniel; Ochoa-Terán, Adrián; Aguirre, Gerardo; Rheingold, Arnold L.; Grotjahn, Douglas B.; Parra-Hake, Miguel; Miranda-Soto, Valentín","Ruthenium complexes with triazenide ligands bearing an N-heterocyclic moiety, and their catalytic properties in the reduction of nitroarenes","RSC Advances","2024","14","33","24019","24030","10.1039/D4RA04813J","","x-ray","0.71073","MoKα","","0.0693","0.0425","","","0.0769","0.0847","","","","","","1.077","","","","has coordinates","293615","2024-08-01","01:25:52",""
"7249164","12.9896","0.0004","13.2753","0.0004","14.0569","0.0004","90","0.003","116.179","0.003","90","0.003","2175.33","0.13","293.1","1","293.1","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","RuCl-ImidazoleTriazenide","[RuCl(1-MePh-3-imidazoletriazenide)(p-cymene)]","","- C21 H26 Cl N5 Ru -","- C21 H26 Cl N5 Ru -","- C84 H104 Cl4 N20 Ru4 -","4","1","","Romero-Soto, Christian A.; Iglesias, Ana L.; Velázquez-Ham, Amor F.; Camarena-Díaz, Juan P.; Correa-Ayala, Erick; Gomez-Lopez, Jessica L.; Chávez, Daniel; Ochoa-Terán, Adrián; Aguirre, Gerardo; Rheingold, Arnold L.; Grotjahn, Douglas B.; Parra-Hake, Miguel; Miranda-Soto, Valentín","Ruthenium complexes with triazenide ligands bearing an N-heterocyclic moiety, and their catalytic properties in the reduction of nitroarenes","RSC Advances","2024","14","33","24019","24030","10.1039/D4RA04813J","","x-ray","0.71073","MoKα","","0.0393","0.029","","","0.0644","0.0691","","","","","","1.066","","","","has coordinates","293615","2024-08-01","01:25:52",""
"7249165","9.8885","0.0008","14.1476","0.0011","17.6592","0.0011","102.034","0.006","100.332","0.007","94.941","0.007","2357.4","0.3","294.7","0.7","294.7","0.7","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 Cl2 N4 Ru -","- C25 H24 Cl2 N4 Ru -","- C100 H96 Cl8 N16 Ru4 -","4","2","","Romero-Soto, Christian A.; Iglesias, Ana L.; Velázquez-Ham, Amor F.; Camarena-Díaz, Juan P.; Correa-Ayala, Erick; Gomez-Lopez, Jessica L.; Chávez, Daniel; Ochoa-Terán, Adrián; Aguirre, Gerardo; Rheingold, Arnold L.; Grotjahn, Douglas B.; Parra-Hake, Miguel; Miranda-Soto, Valentín","Ruthenium complexes with triazenide ligands bearing an N-heterocyclic moiety, and their catalytic properties in the reduction of nitroarenes","RSC Advances","2024","14","33","24019","24030","10.1039/D4RA04813J","","x-ray","0.71073","MoKα","","0.1921","0.0923","","","0.1928","0.2474","","","","","","1.022","","","","has coordinates","293615","2024-08-01","01:25:52",""
"7249166","6.54533","0.00013","29.5464","0.0005","7.4552","0.0002","90","","101.691","0.002","90","","1411.86","0.05","294.1","0.4","294.1","0.4","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-chlorophenyl)-5-(p-tolyl)-6H-1,2-oxazin-6-one","","- C17 H12 Cl N O2 -","- C17 H12 Cl N O2 -","- C68 H48 Cl4 N4 O8 -","4","1","","Alcántar-Zavala, Eleazar; Delgado-Vargas, Francisco; Marín-González, Fabricio; Angulo, Gabriela López; Aguirre-Madrigal, Hugo Enrique; Ochoa-Terán, Adrián; Rodríguez-Vega, Gibrán; Aguirre-Hernández, Gerardo; Montes-Avila, Julio","Design, synthesis, and exploration of antibacterial activity of 6<i>H</i>-1,2-oxazin-6-ones.","RSC advances","2024","14","33","23828","23839","10.1039/d4ra04220d","","x-ray","1.54184","CuKα","","0.0554","0.0451","","","0.1197","0.1273","","","","","","1.036","","","","has coordinates","293616","2024-08-01","01:26:15",""
"7249167","5.0224","0.0007","13.54","0.002","21.561","0.003","90","","90","","90","","1466.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(4-methoxyphenyl)-5-(p-tolyl)-6H-1,2-oxazin-6-one","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C72 H60 N4 O12 -","4","1","","Alcántar-Zavala, Eleazar; Delgado-Vargas, Francisco; Marín-González, Fabricio; Angulo, Gabriela López; Aguirre-Madrigal, Hugo Enrique; Ochoa-Terán, Adrián; Rodríguez-Vega, Gibrán; Aguirre-Hernández, Gerardo; Montes-Avila, Julio","Design, synthesis, and exploration of antibacterial activity of 6<i>H</i>-1,2-oxazin-6-ones.","RSC advances","2024","14","33","23828","23839","10.1039/d4ra04220d","","x-ray","0.71073","MoKα","","0.1102","0.0566","","","0.1212","0.1471","","","","","","1.049","","","","has coordinates","293616","2024-08-01","01:26:16",""
"7249168","11.438","0.012","25.58","0.03","4.893","0.005","90","","90","","90","","1432","3","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C15 H12 Br2 N2 -","- C15 H12 Br2 N2 -","- C60 H48 Br8 N8 -","4","0.5","","Wang, Zhongjie; He, Yu; Wang, Fang; Wang, Yan; Luo, Hui; Wu, Jianglong; Yang, Jinhui","Green and efficient synthesis of dibenzyl cyanamides and ureas with cyanamide as a block.","RSC advances","2024","14","33","23693","23698","10.1039/d4ra04286g","","","0.71073","MoKα","","0.0547","0.0298","","","0.0569","0.0626","","","","","","1.068","","","","has coordinates","293617","2024-08-01","01:26:49",""
"7249169","9.0138","0.0008","13.9046","0.0014","11.9428","0.0013","90","","100.927","0.002","90","","1469.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N4 O4 -","- C15 H12 N4 O4 -","- C60 H48 N16 O16 -","4","1","","Wang, Zhongjie; He, Yu; Wang, Fang; Wang, Yan; Luo, Hui; Wu, Jianglong; Yang, Jinhui","Green and efficient synthesis of dibenzyl cyanamides and ureas with cyanamide as a block.","RSC advances","2024","14","33","23693","23698","10.1039/d4ra04286g","","","0.71073","MoKα","","0.1639","0.0638","","","0.1276","0.1693","","","","","","0.991","","","","has coordinates","293617","2024-08-01","01:26:49",""
"7249170","11.6329","0.0006","7.7767","0.0005","29.3752","0.0018","90","","90","","90","","2657.4","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 F2 N2 O -","- C15 H14 F2 N2 O -","- C120 H112 F16 N16 O8 -","8","1","","Wang, Zhongjie; He, Yu; Wang, Fang; Wang, Yan; Luo, Hui; Wu, Jianglong; Yang, Jinhui","Green and efficient synthesis of dibenzyl cyanamides and ureas with cyanamide as a block.","RSC advances","2024","14","33","23693","23698","10.1039/d4ra04286g","","","0.71073","MoKα","","0.0759","0.0508","","","0.109","0.1202","","","","","","1.033","","","","has coordinates","293617","2024-08-01","01:26:50",""
"7249171","7.9953","0.0002","15.3161","0.0004","19.6255","0.0005","90","","90","","90","","2403.28","0.11","180","","180","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","methyl 5-((3aS,4S,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamido)-2-fluorobenzoate","","- C23 H24.2 F N7 O6.1 -","- C23 H24.2 F N7 O6.1 -","- C92 H96.8 F4 N28 O24.4 -","4","1","","Kocek, Hugo; Chalupská, Dominika; Dejmek, Milan; Dvořáková, Alexandra; Zgarbová, Michala; Šála, Michal; Chalupský, Karel; Krafčíková, Petra; Otava, Tomáš; Drexler, Matus; Procházková, Eliška; Klepetářová, Blanka; Štefek, Milan; Kozic, Ján; Mertlíková-Kaiserová, Helena; Boura, Evzen; Weber, Jan; Nencka, Radim","Discovery of highly potent SARS-CoV-2 nsp14 methyltransferase inhibitors based on adenosine 5′-carboxamides","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00422A","","x-ray","1.54178","CuKα","","0.0327","0.0313","","0.0333","0.0311","0.0311","","","","","","0.9432","","","","has coordinates","293627","2024-08-01","23:59:33",""
"7249172","7.1764","0.0002","13.7285","0.0003","9.1307","0.0002","90","","106.208","0.0006","90","","863.81","0.04","180","","180","","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy-N-(3-methoxyphenyl)tetrahydrofuran-2-carboxamide","","- C17 H18 N6 O5 -","- C17 H18 N6 O5 -","- C34 H36 N12 O10 -","2","1","","Kocek, Hugo; Chalupská, Dominika; Dejmek, Milan; Dvořáková, Alexandra; Zgarbová, Michala; Šála, Michal; Chalupský, Karel; Krafčíková, Petra; Otava, Tomáš; Drexler, Matus; Procházková, Eliška; Klepetářová, Blanka; Štefek, Milan; Kozic, Ján; Mertlíková-Kaiserová, Helena; Boura, Evzen; Weber, Jan; Nencka, Radim","Discovery of highly potent SARS-CoV-2 nsp14 methyltransferase inhibitors based on adenosine 5′-carboxamides","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00422A","","x-ray","1.54178","CuKα","","0.0224","0.0223","","0.0243","0.0242","0.0242","","","","","","1.0166","","","","has coordinates","293627","2024-08-01","23:59:44",""
"7249173","13.579","0.0004","11.3344","0.0003","14.3892","0.0004","90","","99.352","0.0009","90","","2185.2","0.11","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","(2S,3R,4R,5R)-5-(4-amino-5-(pyrimidin-5-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis((tert-butyldimethylsilyl)oxy)-N-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)tetrahydrofuran-2-carboxamide","","- C41 H53 N9 O5 Si2 -","- C41 H53 N9 O5 Si2 -","- C82 H106 N18 O10 Si4 -","2","1","","Kocek, Hugo; Chalupská, Dominika; Dejmek, Milan; Dvořáková, Alexandra; Zgarbová, Michala; Šála, Michal; Chalupský, Karel; Krafčíková, Petra; Otava, Tomáš; Drexler, Matus; Procházková, Eliška; Klepetářová, Blanka; Štefek, Milan; Kozic, Ján; Mertlíková-Kaiserová, Helena; Boura, Evzen; Weber, Jan; Nencka, Radim","Discovery of highly potent SARS-CoV-2 nsp14 methyltransferase inhibitors based on adenosine 5′-carboxamides","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00422A","","x-ray","1.54178","CuKα","","0.0255","0.0249","","0.0343","0.0323","0.0323","","","","","","0.996","","","","has coordinates","293627","2024-08-01","23:59:45",""
"7249174","7.9885","0.0004","21.6907","0.0012","18.2297","0.0012","90","","90","","90","","3158.8","0.3","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C14 H8 Eu N3 O11 -","- C14 H8 Eu N3 O11 -","- C112 H64 Eu8 N24 O88 -","8","1","","Sen, Charanjeet; Devi, Swaita; Niharika,; Bhagat, Nidhi; Sheikh, Haq Nawaz","Dual ligand based 3D Eu(iii) MOF as a multifunctional sensor for trace amounts of NACs, Cr3+ and Hg2+ in aqueous medium: synthesis, crystal structure and latent fingerprint detection","CrystEngComm","2024","26","36","5013","5029","10.1039/D4CE00621F","","","0.71073","MoKα","","0.0519","0.04","","","0.0977","0.1055","","","","","","1.0517","","","","has coordinates","295222","2024-10-06","07:32:43",""
"7249175","37.617","0.003","10.063","0.0007","10.2534","0.0007","90","","105.192","0.003","90","","3745.7","0.5","298","0.2","296.15","","","","","","","","","6","C 1 2 1","C 2y","5","","Fluoxetine sulfate","","- C34 H38 F6 N2 O6 S -","- C34 H38 F6 N2 O6 S -","- C136 H152 F24 N8 O24 S4 -","4","1","","Carvalho, Paulo S.; Diniz, Luan F.; Fernandes, Christian","Spontaneous resolution of RS-fluoxetine through tetrafluoroborate conglomerate salt and racemic kryptoracemate formation via the sulfate ion","CrystEngComm","2024","26","36","4975","4984","10.1039/D4CE00643G","","","0.71073","MoKα","","0.1179","0.0828","","","0.2323","0.267","","","","","","1.035","","","","has coordinates,has disorder","295220","2024-10-06","07:32:17",""
"7249176","36.047","0.007","10.1156","0.0017","10.3307","0.0016","90","","106.07","0.011","90","","3619.8","1.1","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","Fluoxetine sulfate hydrate","","- C17 H21 F3 N O3.97 S0.5 -","- C17 H21 F3 N O3.975 S0.5 -","- C136 H168 F24 N8 O31.8 S4 -","8","2","","Carvalho, Paulo S.; Diniz, Luan F.; Fernandes, Christian","Spontaneous resolution of RS-fluoxetine through tetrafluoroborate conglomerate salt and racemic kryptoracemate formation via the sulfate ion","CrystEngComm","2024","26","36","4975","4984","10.1039/D4CE00643G","","","0.71073","MoKα","","0.1398","0.1315","","","0.2832","0.2879","","","","","","1.086","","","","has coordinates,has disorder","295220","2024-10-06","07:32:17",""
"7249177","6.08","0.0019","10.89","0.0016","27.6","0.003","90","","90","","90","","1827.4","0.7","100","0.2","100","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S)-Fluoxetine tetrafluoroborate","","- C17 H19 B F7 N O -","- C17 H19 B F7 N O -","- C68 H76 B4 F28 N4 O4 -","4","1","","Carvalho, Paulo S.; Diniz, Luan F.; Fernandes, Christian","Spontaneous resolution of RS-fluoxetine through tetrafluoroborate conglomerate salt and racemic kryptoracemate formation via the sulfate ion","CrystEngComm","2024","26","36","4975","4984","10.1039/D4CE00643G","","","0.670185","synchrotron","","0.0322","0.032","","","0.0907","0.0909","","","","","","1.064","","","","has coordinates","295220","2024-10-06","07:32:17",""
"7249178","9.7669","0.0005","10.7587","0.0008","18.6574","0.0014","90","","90","","90","","1960.5","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 N3 O2 -","- C25 H19 N3 O2 -","- C100 H76 N12 O8 -","4","1","","Nguyen, Nguyen Tran; Dai, Vo Viet; Mechler, Adam; Van Meervelt, Luc; Hoa, Nguyen Thi; Vo, Quan V.","Synthesis and computational evaluation of the antioxidant activity of pyrrolo[2,3-b]quinoxaline derivatives","RSC Advances","2024","14","34","24438","24446","10.1039/D4RA03108C","","x-ray","0.71073","MoKα","","0.0682","0.0474","","","0.0942","0.1066","","","","","","1.073","","","","has coordinates","293963","2024-08-06","01:20:10",""
"7249179","12.6993","0.0011","16.3312","0.0014","14.3395","0.0011","90","","100.32","0.003","90","","2925.8","0.4","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H29 N3 O -","- C41 H29 N3 O -","- C164 H116 N12 O4 -","4","1","","Petdee, Sujinda; Chantanop, Nuttapong; Arunlimsawat, Suangsiri; Saenubol, Atthapon; Nalaoh, Phattananawee; Sudyoadsuk, Taweesak; Promarak, Vinich","Excited-state intramolecular proton-transfer solid-state fluorophores with aggregation-induced emission as efficient emitters for electroluminescent devices","CrystEngComm","2024","26","34","4698","4707","10.1039/D4CE00660G","","x-ray","0.71073","MoKα","","0.0505","0.04","","","0.0945","0.1005","","","","","","1.043","","","","has coordinates","294530","2024-09-06","00:19:57",""
"7249180","10.6202","0.0017","11.1341","0.0018","13.581","0.002","106.157","0.005","97.582","0.005","98.728","0.006","1498.7","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C41 H31 N3 O -","- C41 H31 N3 O -","- C82 H62 N6 O2 -","2","1","","Petdee, Sujinda; Chantanop, Nuttapong; Arunlimsawat, Suangsiri; Saenubol, Atthapon; Nalaoh, Phattananawee; Sudyoadsuk, Taweesak; Promarak, Vinich","Excited-state intramolecular proton-transfer solid-state fluorophores with aggregation-induced emission as efficient emitters for electroluminescent devices","CrystEngComm","2024","26","34","4698","4707","10.1039/D4CE00660G","","x-ray","0.71073","MoKα","","0.0688","0.0462","","","0.102","0.1131","","","","","","1.039","","","","has coordinates,has disorder","294530","2024-09-06","00:19:57",""
"7249181","9.0487","0.0004","16.0617","0.001","26.212","0.0016","90","","90","","90","","3809.6","0.4","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H41 Br N4 O6 S -","- C41 H41 Br N4 O6 S -","- C164 H164 Br4 N16 O24 S4 -","4","1","","Zhang, Xiaowen; Meng, Dongshuo; Zang, Zongwu; Xu, Zhiru; Liu, Yu","New bedaquiline salt with improved bioavailability and reduced food effect","CrystEngComm","2024","26","36","5071","5077","10.1039/D4CE00567H","","","0.71073","MoKα","","0.095","0.0514","","","0.082","0.0997","","","","","","0.998","","","","has coordinates","295223","2024-10-06","07:32:50",""
"7249182","14.2165","0.0003","6.2003","0.00011","28.4449","0.0005","90","","92.0239","0.0018","90","","2505.76","0.08","293","2","293","2","","","","","","","synthesized","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H31 Co N8 O12 -","- C18 H31 Co N8 O12 -","- C72 H124 Co4 N32 O48 -","4","1","","Singh, Manjeet; Narang, Karan Kumar; Kaur, Yashpreet; Patra, Ranjan; Nanda, Prasant K.; Sahoo, Subash C.","Synthesis and characterization of a dual-stimuli-responsive cobalt(iii) complex: comparison of photo-/thermo-mechanical behaviour in crystal and polymer composites","CrystEngComm","2024","26","36","5004","5012","10.1039/D4CE00638K","","x-ray","0.71073","MoKα","","0.0587","0.0548","","","0.1295","0.1309","","","","","","1.163","","","","has coordinates,has disorder","295226","2024-10-06","07:33:23",""
"7249183","11.3518","0.0003","15.4233","0.0004","26.8182","0.0006","89.06","0.002","85.478","0.002","89.87","0.002","4680.1","0.2","130","","130","","","","","","","","","7","P -1","-P 1","2","","","","- C108 H120.13 Cl3 Fe3 O3 P3 Rh3 -","- C108 H120.132 Cl3 Fe3 O3 P3 Rh3 -","- C216 H240.264 Cl6 Fe6 O6 P6 Rh6 -","2","1","","Straube, Axel; Coburger, Peter; Hey-Hawkins, Evamarie","Homotrinuclear ruthenium(ii) and rhodium(i) complexes of redox-active tris(ferrocenyl)arene-based tris-phosphanes.","RSC advances","2024","14","34","24652","24660","10.1039/d4ra03822c","","","0.71073","MoKα","","0.0938","0.0588","","","0.1057","0.118","","","","","","1.05","","","","has coordinates,has disorder","294049","2024-08-08","01:15:42",""
"7249184","18.2645","0.0005","9.2078","0.0002","9.6666","0.0002","90","","90","","90","","1625.69","0.07","295","","295","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C20 H20 O3 -","- C20 H20 O3 -","- C80 H80 O12 -","4","1","","Sayad, Rayene; Bouzina, Abdeslem; Bouone, Yousra Ouafa; Beldjezzia, Dounia; Djemel, Abdelhak; Ibrahim-Ouali, Malika; Aouf, Nour-Eddine; Aouf, Zineb","Zinc acetate-catalyzed, green and efficient synthesis of xanthene derivatives under ultrasound irradiation: X-ray crystallographic analysis and <i>in silico</i> study.","RSC advances","2024","14","34","24585","24603","10.1039/d4ra04135f","","x-ray","1.54184","CuKα","","0.0555","0.0424","","","0.101","0.1106","","","","","","1.045","","","","has coordinates","294050","2024-08-08","01:16:05",""
"7249185","10.1722","0.0011","11.4638","0.0013","13.3885","0.0016","112.942","0.002","112.305","0.002","90.803","0.002","1305.9","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Co N6 O7 -","- C26 H16 Co N6 O4 -","- C52 H32 Co2 N12 O8 -","2","1","","Feng, Jialin; Mu, Jianshuai; Liu, Zhengyu; Cheng, Lin; Li, Siyu; Cheng, Xin; Zhang, Shaowei; Meng, Xin; Wang, Ying","Solvent- and tatrz-induced single-crystal-to-single-crystal transformations within cobalt(ii)-triazole MOFs: a luminescent probe for frankincense","CrystEngComm","2024","26","36","4953","4957","10.1039/D4CE00360H","","","0.71073","MoKα","","0.0429","0.0366","","","0.0934","0.0969","","","","","","1.0859","","","","has coordinates","295224","2024-10-06","07:33:02",""
"7249186","10.1872","0.0008","11.7035","0.0009","13.0008","0.001","113.549","0.001","110.346","0.001","90.932","0.001","1310.4","0.18","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 Co N7 O5 -","- C29 H23 Co N7 O5 -","- C58 H46 Co2 N14 O10 -","2","1","","Feng, Jialin; Mu, Jianshuai; Liu, Zhengyu; Cheng, Lin; Li, Siyu; Cheng, Xin; Zhang, Shaowei; Meng, Xin; Wang, Ying","Solvent- and tatrz-induced single-crystal-to-single-crystal transformations within cobalt(ii)-triazole MOFs: a luminescent probe for frankincense","CrystEngComm","2024","26","36","4953","4957","10.1039/D4CE00360H","","","0.71073","MoKα","","0.039","0.0342","","","0.0903","0.0933","","","","","","1.054","","","","has coordinates,has disorder","295224","2024-10-06","07:33:02",""
"7249187","10.242","0.007","12.786","0.008","13.807","0.009","63.824","0.012","70.563","0.013","79.963","0.013","1529.4","1.7","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H24 Co N9 O5 -","- C35 H24 Co N9 O5 -","- C70 H48 Co2 N18 O10 -","2","1","","Feng, Jialin; Mu, Jianshuai; Liu, Zhengyu; Cheng, Lin; Li, Siyu; Cheng, Xin; Zhang, Shaowei; Meng, Xin; Wang, Ying","Solvent- and tatrz-induced single-crystal-to-single-crystal transformations within cobalt(ii)-triazole MOFs: a luminescent probe for frankincense","CrystEngComm","2024","26","36","4953","4957","10.1039/D4CE00360H","","","0.71073","MoKα","","0.1402","0.0731","","","0.1637","0.1961","","","","","","0.981","","","","has coordinates","295224","2024-10-06","07:33:02",""
"7249188","15.6623","0.001","8.77","0.0005","20.8453","0.0013","90","","99.843","0.001","90","","2821.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 Co N6 O8 -","- C29 H24 Co N6 O8 -","- C116 H96 Co4 N24 O32 -","4","1","","Zhao, Zhixiang; Yang, Yue; Hu, Linhai; Wang, Jianhua; Yu, Jie; Liu, Qingxiang","Six cobalt(ii), zinc(ii), nickel(ii) and copper(ii) complexes based on bis-benzimidazolyl bidentate ligands with phenolyl ether linkers: synthesis, structural studies and recognition of HSO4−","CrystEngComm","2024","26","36","5078","5089","10.1039/D4CE00553H","","","0.71073","MoKα","","0.055","0.0386","","","0.0916","0.1028","","","","","","1.009","","","","has coordinates","295225","2024-10-06","07:33:15",""
"7249189","10.546","0.008","12.516","0.009","12.968","0.009","68.893","0.012","79.659","0.013","72.373","0.011","1517.1","1.9","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H31 Cu N5 O7 S -","- C32 H31 Cu N5 O7 S -","- C64 H62 Cu2 N10 O14 S2 -","2","1","","Zhao, Zhixiang; Yang, Yue; Hu, Linhai; Wang, Jianhua; Yu, Jie; Liu, Qingxiang","Six cobalt(ii), zinc(ii), nickel(ii) and copper(ii) complexes based on bis-benzimidazolyl bidentate ligands with phenolyl ether linkers: synthesis, structural studies and recognition of HSO4−","CrystEngComm","2024","26","36","5078","5089","10.1039/D4CE00553H","","","0.71073","MoKα","","0.2224","0.0969","","","0.2063","0.2647","","","","","","1.029","","","","has coordinates,has disorder","295225","2024-10-06","07:33:15",""
"7249190","10.8462","0.0016","11.8643","0.0017","14.141","0.002","68.98","0.002","72.701","0.002","73.901","0.002","1591.8","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H34 Cu N4 O7 S -","- C33 H34 Cu N4 O7 S -","- C66 H68 Cu2 N8 O14 S2 -","2","1","","Zhao, Zhixiang; Yang, Yue; Hu, Linhai; Wang, Jianhua; Yu, Jie; Liu, Qingxiang","Six cobalt(ii), zinc(ii), nickel(ii) and copper(ii) complexes based on bis-benzimidazolyl bidentate ligands with phenolyl ether linkers: synthesis, structural studies and recognition of HSO4−","CrystEngComm","2024","26","36","5078","5089","10.1039/D4CE00553H","","","0.71073","MoKα","","0.0445","0.0367","","","0.0941","0.0994","","","","","","1.02","","","","has coordinates,has disorder","295225","2024-10-06","07:33:15",""
"7249191","11.1269","0.0011","14.2736","0.0014","19.7719","0.0019","90","","94.637","0.002","90","","3129.9","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Co N4 O6 -","- C36 H32 Co N4 O6 -","- C144 H128 Co4 N16 O24 -","4","1","","Zhao, Zhixiang; Yang, Yue; Hu, Linhai; Wang, Jianhua; Yu, Jie; Liu, Qingxiang","Six cobalt(ii), zinc(ii), nickel(ii) and copper(ii) complexes based on bis-benzimidazolyl bidentate ligands with phenolyl ether linkers: synthesis, structural studies and recognition of HSO4−","CrystEngComm","2024","26","36","5078","5089","10.1039/D4CE00553H","","","0.71073","MoKα","","0.0328","0.0289","","","0.0727","0.0752","","","","","","1.049","","","","has coordinates,has disorder","295225","2024-10-06","07:33:15",""
"7249192","15.6033","0.0015","8.651","0.0008","20.8418","0.0018","90","","101.023","0.001","90","","2761.4","0.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N6 O8 Zn -","- C29 H24 N6 O8 Zn -","- C116 H96 N24 O32 Zn4 -","4","1","","Zhao, Zhixiang; Yang, Yue; Hu, Linhai; Wang, Jianhua; Yu, Jie; Liu, Qingxiang","Six cobalt(ii), zinc(ii), nickel(ii) and copper(ii) complexes based on bis-benzimidazolyl bidentate ligands with phenolyl ether linkers: synthesis, structural studies and recognition of HSO4−","CrystEngComm","2024","26","36","5078","5089","10.1039/D4CE00553H","","","0.71073","MoKα","","0.0348","0.029","","","0.071","0.0743","","","","","","1.03","","","","has coordinates","295225","2024-10-06","07:33:15",""
"7249193","7.8426","0.0004","11.9237","0.0006","16.445","0.0009","89.791","0.001","87.687","0.001","73.487","0.001","1473.14","0.13","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H56 N12 Ni2 O16 -","- C62 H56 N12 Ni2 O16 -","- C62 H56 N12 Ni2 O16 -","1","0.5","","Zhao, Zhixiang; Yang, Yue; Hu, Linhai; Wang, Jianhua; Yu, Jie; Liu, Qingxiang","Six cobalt(ii), zinc(ii), nickel(ii) and copper(ii) complexes based on bis-benzimidazolyl bidentate ligands with phenolyl ether linkers: synthesis, structural studies and recognition of HSO4−","CrystEngComm","2024","26","36","5078","5089","10.1039/D4CE00553H","","","0.71073","MoKα","","0.0302","0.0276","","","0.0689","0.0704","","","","","","1.026","","","","has coordinates","295225","2024-10-06","07:33:15",""
"7249194","14.9621","0.0017","17.7063","0.0018","18.5333","0.0012","75.538","0.008","89.907","0.008","73.826","0.01","4554","0.8","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H14 N2 O -","- C19 H14 N2 O -","- C228 H168 N24 O12 -","12","6","","Hurtado-Rodríguez, Diana; Becerra, Diana; Rojas, Hugo; Gómez Castaño, Jovanny A.; Macías, Mario A.; Castillo, Juan-Carlos","Crystal structure, spectroscopy, DFT, and thermal studies of 3-cyano-2(1H)-pyridones as potential anticancer agents","RSC Advances","2024","14","34","24928","24941","10.1039/D4RA04563G","","","1.54184","CuKα","","0.1519","0.087","","","0.2297","0.3109","","","","","","0.999","","","","has coordinates","294089","2024-08-13","01:17:33",""
"7249195","18.7005","0.0014","14.5206","0.0012","34.471","0.002","90","","104.606","0.008","90","","9057.8","1.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 Br N2 O -","- C18 H11 Br N2 O -","- C432 H264 Br24 N48 O24 -","24","6","","Hurtado-Rodríguez, Diana; Becerra, Diana; Rojas, Hugo; Gómez Castaño, Jovanny A.; Macías, Mario A.; Castillo, Juan-Carlos","Crystal structure, spectroscopy, DFT, and thermal studies of 3-cyano-2(1H)-pyridones as potential anticancer agents","RSC Advances","2024","14","34","24928","24941","10.1039/D4RA04563G","","","1.54184","CuKα","","0.1406","0.1039","","","0.3029","0.3747","","","","","","1.06","","","","has coordinates,has disorder","294089","2024-08-13","01:17:36",""
"7249196","14.4943","0.0009","17.848","0.0009","18.7119","0.0008","106.539","0.004","90.018","0.005","105.413","0.005","4458.4","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H11 Cl N2 O -","- C18 H11 Cl N2 O -","- C216 H132 Cl12 N24 O12 -","12","6","","Hurtado-Rodríguez, Diana; Becerra, Diana; Rojas, Hugo; Gómez Castaño, Jovanny A.; Macías, Mario A.; Castillo, Juan-Carlos","Crystal structure, spectroscopy, DFT, and thermal studies of 3-cyano-2(1H)-pyridones as potential anticancer agents","RSC Advances","2024","14","34","24928","24941","10.1039/D4RA04563G","","","1.54184","CuKα","","0.1017","0.0758","","","0.2062","0.2367","","","","","","1.024","","","","has coordinates,has disorder","294089","2024-08-13","01:17:37",""
"7249197","4.8146","0.0004","20.525","0.002","21.556","0.003","90","","90.453","0.005","90","","2130.1","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 O2 S2 -","- C28 H20 O2 S2 -","- C112 H80 O8 S8 -","4","1","","Adusei, Emmanuel B. A.; Casetti, Vincent T.; Goldsmith, Calvin D.; Caswell, Madison; Alinj, Drecila; Park, Jimin; Zeller, Matthias; Rusakov, Alexander A.; Kinney, Zacharias J.","Bent naphthodithiophenes: synthesis and characterization of isomeric fluorophores","RSC Advances","2024","14","35","25120","25129","10.1039/D4RA04850D","","","0.71073","MoKα","","0.075","0.0425","","","0.0954","0.1081","","","","","","1.028","","","","has coordinates,has disorder","294091","2024-08-13","01:18:29",""
"7249198","13.7285","0.0009","7.9848","0.0005","21.6165","0.0014","90","","100.332","0.003","90","","2331.2","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 O2 S2 -","- C30 H24 O2 S2 -","- C120 H96 O8 S8 -","4","1","","Adusei, Emmanuel B. A.; Casetti, Vincent T.; Goldsmith, Calvin D.; Caswell, Madison; Alinj, Drecila; Park, Jimin; Zeller, Matthias; Rusakov, Alexander A.; Kinney, Zacharias J.","Bent naphthodithiophenes: synthesis and characterization of isomeric fluorophores","RSC Advances","2024","14","35","25120","25129","10.1039/D4RA04850D","","","0.71073","MoKα","","0.0719","0.0444","","","0.1049","0.12","","","","","","1.024","","","","has coordinates","294091","2024-08-13","01:18:30",""
"7249199","8.7673","0.0007","6.2302","0.0004","25.9473","0.0019","90","","93.533","0.003","90","","1414.6","0.18","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H32 O5 S2 -","- C34 H32 O5 S2 -","- C68 H64 O10 S4 -","2","1","","Adusei, Emmanuel B. A.; Casetti, Vincent T.; Goldsmith, Calvin D.; Caswell, Madison; Alinj, Drecila; Park, Jimin; Zeller, Matthias; Rusakov, Alexander A.; Kinney, Zacharias J.","Bent naphthodithiophenes: synthesis and characterization of isomeric fluorophores","RSC Advances","2024","14","35","25120","25129","10.1039/D4RA04850D","","","0.71073","MoKα","","0.0333","0.0312","","","0.0858","0.0871","","","","","","1.049","","","","has coordinates","294091","2024-08-13","01:18:31",""
"7249200","17.861","0.005","8.2438","0.0016","18.565","0.004","90","","111.359","0.007","90","","2545.8","1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 F6 O2 S2 -","- C30 H18 F6 O2 S2 -","- C120 H72 F24 O8 S8 -","4","1","","Adusei, Emmanuel B. A.; Casetti, Vincent T.; Goldsmith, Calvin D.; Caswell, Madison; Alinj, Drecila; Park, Jimin; Zeller, Matthias; Rusakov, Alexander A.; Kinney, Zacharias J.","Bent naphthodithiophenes: synthesis and characterization of isomeric fluorophores","RSC Advances","2024","14","35","25120","25129","10.1039/D4RA04850D","","","0.71073","MoKα","","0.1142","0.0531","","","0.1137","0.14","","","","","","1.008","","","","has coordinates,has disorder","294091","2024-08-13","01:18:31",""
"7249201","41.918","0.003","26.6997","0.0019","15.3487","0.0011","90","","104.041","0.002","90","","16665","2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H40 O2 S2 -","- C37.9975 H39.9945 O2 S2 -","- C607.96 H639.912 O32 S32 -","16","2","","Adusei, Emmanuel B. A.; Casetti, Vincent T.; Goldsmith, Calvin D.; Caswell, Madison; Alinj, Drecila; Park, Jimin; Zeller, Matthias; Rusakov, Alexander A.; Kinney, Zacharias J.","Bent naphthodithiophenes: synthesis and characterization of isomeric fluorophores","RSC Advances","2024","14","35","25120","25129","10.1039/D4RA04850D","","","0.71073","MoKα","","0.1257","0.0774","","","0.2225","0.2622","","","","","","1.031","","","","has coordinates,has disorder","294091","2024-08-13","01:18:31",""
"7249202","7.6349","0.0007","8.9698","0.001","11.0037","0.0012","106.884","0.01","97.904","0.009","110.288","0.009","652.1","0.14","125.8","0.3","125.8","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C20 H30 Cl4 Co N12 -","- C20 H30 Cl4 Co N12 -","- C20 H30 Cl4 Co N12 -","1","0.5","","Jabeur, Wiem; Korb, Marcus; Hamdi, Mohamed; Holub, Mariia; Princík, Dávid; Zeleňák, Vladimír; Sanchez-Coronilla, Antonio; Shalash, Marwan; Čižmár, Erik; Naïli, Houcine","Structural, optical and magnetic properties of a new metal–organic CoII-based complex","RSC Advances","2024","14","34","25048","25061","10.1039/D4RA02149E","","","0.71073","MoKα","","0.0671","0.0591","","","0.1528","0.1606","","","","","","1.044","","","","has coordinates","294092","2024-08-13","01:18:51",""
"7249203","10.1343","0.0009","10.7473","0.0009","13.9008","0.0012","71.026","0.002","88.874","0.002","82.993","0.002","1420.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H28 Co N4 O8 -","- C29 H28 Co N4 O8 -","- C58 H56 Co2 N8 O16 -","2","1","","Lee, Chia-Yi; Usman, Muhammad; Wang, Song-Wei; Thapa, Kedar Bahadur; Chen, Tsun-Ren; Chen, Jhy-Der","Designed synthesis of Co(ii) coordination polymers for evaluation of structural transformations","CrystEngComm","2024","26","36","5099","5107","10.1039/D4CE00723A","","","0.71073","MoKα","","0.0914","0.0511","","","0.0948","0.1083","","","","","","1.009","","","","has coordinates","295221","2024-10-06","07:32:27",""
"7249204","9.834","0.004","11.041","0.005","11.166","0.005","85.008","0.01","76.029","0.011","85.758","0.011","1170.3","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 Co N2 O8 -","- C23 H25 Co N2 O8 -","- C46 H50 Co2 N4 O16 -","2","1","","Lee, Chia-Yi; Usman, Muhammad; Wang, Song-Wei; Thapa, Kedar Bahadur; Chen, Tsun-Ren; Chen, Jhy-Der","Designed synthesis of Co(ii) coordination polymers for evaluation of structural transformations","CrystEngComm","2024","26","36","5099","5107","10.1039/D4CE00723A","","","0.71073","MoKα","","0.0815","0.0446","","","0.0843","0.0953","","","","","","1.007","","","","has coordinates","295221","2024-10-06","07:32:28",""
"7249205","27.7041","0.0011","9.3364","0.0004","10.62","0.0004","90","","95.3715","0.0013","90","","2734.87","0.19","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H28 Co N4 O8 -","- C29 H28 Co N4 O8 -","- C116 H112 Co4 N16 O32 -","4","0.5","","Lee, Chia-Yi; Usman, Muhammad; Wang, Song-Wei; Thapa, Kedar Bahadur; Chen, Tsun-Ren; Chen, Jhy-Der","Designed synthesis of Co(ii) coordination polymers for evaluation of structural transformations","CrystEngComm","2024","26","36","5099","5107","10.1039/D4CE00723A","","","0.71073","MoKα","","0.0575","0.0343","","","0.0795","0.0895","","","","","","1.027","","","","has coordinates","295221","2024-10-06","07:32:28",""
"7249206","11.4825","0.0004","21.8344","0.0006","11.8159","0.0004","90","","114.862","0.0009","90","","2687.86","0.15","107","2","107","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H24.5 Co N4 O6.25 -","- C29 H24.5 Co N4 O6.25 -","- C116 H98 Co4 N16 O25 -","4","1","","Lee, Chia-Yi; Usman, Muhammad; Wang, Song-Wei; Thapa, Kedar Bahadur; Chen, Tsun-Ren; Chen, Jhy-Der","Designed synthesis of Co(ii) coordination polymers for evaluation of structural transformations","CrystEngComm","2024","26","36","5099","5107","10.1039/D4CE00723A","","","0.71073","MoKα","","0.0731","0.0461","","","0.101","0.1126","","","","","","1.022","","","","has coordinates","295221","2024-10-06","07:32:28",""
"7249207","8.9391","0.0009","9.8609","0.001","17.51","0.0018","90","","93.993","0.002","90","","1539.7","0.3","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C29 H32 Co N4 O10 -","- C29 H32 Co N4 O10 -","- C58 H64 Co2 N8 O20 -","2","1","","Lee, Chia-Yi; Usman, Muhammad; Wang, Song-Wei; Thapa, Kedar Bahadur; Chen, Tsun-Ren; Chen, Jhy-Der","Designed synthesis of Co(ii) coordination polymers for evaluation of structural transformations","CrystEngComm","2024","26","36","5099","5107","10.1039/D4CE00723A","","","0.71073","MoKα","","0.0942","0.0515","","","0.0997","0.1134","","","","","","1.005","","","","has coordinates","295221","2024-10-06","07:32:28",""
"7249208","9.4075","0.0006","10.5966","0.0007","10.7909","0.0007","75.498","0.006","87.29","0.005","88.701","0.005","1040.21","0.12","117.4","0.14","117.4","0.14","","","","","","","","4","P -1","-P 1","2","","","","- C5 H3 N9 O6 -","- C5 H3 N9 O6 -","- C20 H12 N36 O24 -","4","2","","Dong, Wen-Shuai; Zhang, Chao; Xu, Mei-Qi; Lu, Zu-Jia; Li, Zhi-Min; Yu, Qi-Yao; Zhang, Jian-Guo","Asymmetric functionalized modification of bi(1,2,4-triazole) towards high-energy insensitive materials","CrystEngComm","2024","26","37","5202","5207","10.1039/D4CE00141A","","x-ray","0.71073","MoKα","","0.0539","0.0427","","","0.0953","0.1039","","","","","","1.07","","","","has coordinates","295216","2024-10-06","07:30:44",""
"7249209","8.8318","0.0004","14.6939","0.0006","16.5191","0.0007","85.383","0.0015","83.159","0.0016","77.5052","0.0014","2074.75","0.15","200","2","200","2","","","","","","","","5","P -1","-P 1","2","N,N-bis(9-phenyl-9H-xanthen-9-yl)butane-1,4-diamine","","","- C51 H42 Cl3 N2 O2 -","- C51 H42 Cl3 N2 O2 -","- C102 H84 Cl6 N4 O4 -","2","1","","Barnardo, Brandon; Barton, Benita; Hosten, Eric C.","Alternative separation strategy for o-/p-dichlorobenzene mixtures through supramolecular chemistry protocols","CrystEngComm","2024","26","35","4876","4885","10.1039/D4CE00684D","","","0.71073","MoKα","","0.0927","0.0576","","","0.1372","0.1807","","","","","","1.112","","","","has coordinates,has disorder","295229","2024-10-06","07:33:47",""
"7249210","10.3738","0.0007","8.305","0.0005","13.8405","0.0009","90","","103.676","0.002","90","","1158.61","0.13","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Azathioprine","Azathioprine","","- C9 H7 N7 O2 S -","- C9 H7 N7 O2 S -","- C36 H28 N28 O8 S4 -","4","1","","Kalavalapudi, Likhitha; Palani, Sivanarayanan; Nechipadappu, Sunil Kumar","Serendipitous discovery of a novel polymorph of an immunosuppressant drug azathioprine: phase transformation, solubility, dissolution and stability study","CrystEngComm","2024","26","37","5187","5201","10.1039/D4CE00589A","","","0.71073","MoKα","","0.0751","0.0432","","","0.1107","0.1284","","","","","","1.054","","","","has coordinates","295217","2024-10-06","07:30:57",""
"7249211","4.5053","0.0003","25.0747","0.0013","24.4596","0.0013","90","","91.789","0.002","90","","2761.8","0.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Azathioprine monohydrate","Azathioprine monohydrate","","- C9 H7 N7 O3 S -","- C9 H7 N7 O3 S -","- C72 H56 N56 O24 S8 -","8","2","","Kalavalapudi, Likhitha; Palani, Sivanarayanan; Nechipadappu, Sunil Kumar","Serendipitous discovery of a novel polymorph of an immunosuppressant drug azathioprine: phase transformation, solubility, dissolution and stability study","CrystEngComm","2024","26","37","5187","5201","10.1039/D4CE00589A","","","0.71073","MoKα","","0.11","0.0661","","","0.1855","0.2204","","","","","","1.03","","","","has coordinates,has disorder","295217","2024-10-06","07:30:58",""
"7249212","4.4622","0.0008","15.295","0.002","19.852","0.003","90","","92.035","0.011","90","","1354","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Azathioprine-hemidioxane solvate","Azathioprine-hemidioxane solvate","","- C11 H11 N7 O3 S -","- C11 H11 N7 O3 S -","- C44 H44 N28 O12 S4 -","4","1","","Kalavalapudi, Likhitha; Palani, Sivanarayanan; Nechipadappu, Sunil Kumar","Serendipitous discovery of a novel polymorph of an immunosuppressant drug azathioprine: phase transformation, solubility, dissolution and stability study","CrystEngComm","2024","26","37","5187","5201","10.1039/D4CE00589A","","","0.71073","MoKα","","0.1192","0.0594","","","0.1333","0.1569","","","","","","0.991","","","","has coordinates,has disorder","295217","2024-10-06","07:30:58",""
"7249213","4.379","0.0004","25.0168","0.0019","24.5692","0.0018","90","","91.152","0.006","90","","2691","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Azathioprine-2-methoxyethanol hydrate","Azathioprine-2-methoxyethanol hydrate","","- C21 H24 N14 O7 S2 -","- C21 H24 N14 O7 S2 -","- C84 H96 N56 O28 S8 -","4","1","","Kalavalapudi, Likhitha; Palani, Sivanarayanan; Nechipadappu, Sunil Kumar","Serendipitous discovery of a novel polymorph of an immunosuppressant drug azathioprine: phase transformation, solubility, dissolution and stability study","CrystEngComm","2024","26","37","5187","5201","10.1039/D4CE00589A","","","0.71073","MoKα","","0.1609","0.0703","","","0.1438","0.1768","","","","","","0.99","","","","has coordinates","295217","2024-10-06","07:30:58",""
"7249214","12.697","0.0011","16.0824","0.0015","18.3656","0.0016","90","","94.885","0.003","90","","3736.6","0.6","100.07","","100.07","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H47 Cu N5 O8 -","- C38 H47 Cu N5 O8 -","- C152 H188 Cu4 N20 O32 -","4","1","","Tella, Adedibu C.; Olatunji, Sunday J.; Ajibade, Peter A.","Functionalization of a porous copper(ii) metal–organic framework and its capacity for loading and delivery of ibuprofen","RSC Advances","2024","14","35","25759","25770","10.1039/D4RA03678F","","","1.54178","CuKα","","0.0505","0.0465","","","0.1292","0.1309","","","","","","1.017","","","","has coordinates","294148","2024-08-16","01:22:46",""
"7249215","9.0416","0.0003","20.2173","0.0005","22.2247","0.0006","90","","90","","90","","4062.6","0.2","99.97","0.13","99.97","0.13","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O3 -","- C17 H16 O3 -","- C204 H192 O36 -","12","3","","Zhang, Yu; Yu, Yueyang; Ma, Xiaoqiang; Zhao, Xiaofei; Huang, Jialin; Zhao, Depeng","Conformational studies of biaryl-bridged seven-membered lactones with a quaternary carbon center.","RSC advances","2024","14","35","25663","25668","10.1039/d4ra04703f","","x-ray","1.54184","CuKα","","0.0881","0.0734","","","0.1726","0.2089","","","","","","1.139","","","","has coordinates","294149","2024-08-16","01:23:14",""
"7249216","8.339","0.0004","11.1632","0.0006","16.2872","0.0007","90","","93.877","0.004","90","","1512.7","0.13","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 O3 -","- C19 H20 O3 -","- C76 H80 O12 -","4","1","","Zhang, Yu; Yu, Yueyang; Ma, Xiaoqiang; Zhao, Xiaofei; Huang, Jialin; Zhao, Depeng","Conformational studies of biaryl-bridged seven-membered lactones with a quaternary carbon center.","RSC advances","2024","14","35","25663","25668","10.1039/d4ra04703f","","x-ray","1.54184","CuKα","","0.1159","0.109","","","0.322","0.3254","","","","","","1.249","","","","has coordinates","294149","2024-08-16","01:23:14",""
"7249217","7.9631","0.0001","9.0415","0.0001","19.8923","0.0001","90","","90","","90","","1432.21","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O3 -","- C18 H18 O3 -","- C72 H72 O12 -","4","1","","Zhang, Yu; Yu, Yueyang; Ma, Xiaoqiang; Zhao, Xiaofei; Huang, Jialin; Zhao, Depeng","Conformational studies of biaryl-bridged seven-membered lactones with a quaternary carbon center.","RSC advances","2024","14","35","25663","25668","10.1039/d4ra04703f","","x-ray","1.54184","CuKα","","0.0289","0.0281","","","0.0741","0.0745","","","","","","1.049","","","","has coordinates","294149","2024-08-16","01:23:15",""
"7249218","11.2957","0.0012","12.2233","0.0012","24.689","0.003","75.969","0.005","89.341","0.006","62.754","0.004","2920.6","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H75 Br N2 O10 -","- C62 H75 Br N2 O10 -","- C124 H150 Br2 N4 O20 -","2","1","","Vinodh, Mickey; Al-Azemi, Talal F.","Solvent-induced supramolecular self-assembly in a solid-state A1/A2-difunctionlized pillar[5]arene host","CrystEngComm","2024","26","37","5138","5143","10.1039/D4CE00771A","","","0.71075","MoKα","","0.2748","0.1037","","","0.2568","0.3433","","","","","","1.007","","","","has coordinates,has disorder","295215","2024-10-06","07:30:37",""
"7249219","20.9763","0.0019","12.9809","0.001","24.889","0.002","90","","106.73","0.008","90","","6490.2","1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C124 H146 Br2 Cl12 O21 -","- C124 H146 Br2 Cl12 O21 -","- C248 H292 Br4 Cl24 O42 -","2","0.5","","Vinodh, Mickey; Al-Azemi, Talal F.","Solvent-induced supramolecular self-assembly in a solid-state A1/A2-difunctionlized pillar[5]arene host","CrystEngComm","2024","26","37","5138","5143","10.1039/D4CE00771A","","","0.71075","MoKα","","0.1962","0.0896","","","0.2477","0.315","","","","","","0.983","","","","has coordinates,has disorder","295215","2024-10-06","07:30:37",""
"7249220","19.657","0.0004","16.4198","0.0003","37.8697","0.0007","90","","90.498","0.001","90","","12222.5","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H81 Br N2 O12 -","- C62 H81 Br N2 O12 -","- C496 H648 Br8 N16 O96 -","8","1","","Vinodh, Mickey; Al-Azemi, Talal F.","Solvent-induced supramolecular self-assembly in a solid-state A1/A2-difunctionlized pillar[5]arene host","CrystEngComm","2024","26","37","5138","5143","10.1039/D4CE00771A","","","1.54178","CuKα","","0.0588","0.0543","","","0.1602","0.1656","","","","","","1.032","","","","has coordinates,has disorder","295215","2024-10-06","07:30:37",""
"7249221","19.665","0.002","16.584","0.002","38.621","0.004","90","","91.573","0.006","90","","12591","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C127 H154 Br2 N5 O20 -","- C127 H154 Br2 N5 O20 -","- C508 H616 Br8 N20 O80 -","4","0.5","","Vinodh, Mickey; Al-Azemi, Talal F.","Solvent-induced supramolecular self-assembly in a solid-state A1/A2-difunctionlized pillar[5]arene host","CrystEngComm","2024","26","37","5138","5143","10.1039/D4CE00771A","","","1.54178","CuKα","","0.1349","0.1121","","","0.3233","0.3467","","","","","","1.591","","","","has coordinates,has disorder","295215","2024-10-06","07:30:37",""
"7249222","19.6591","0.0004","16.4212","0.0004","37.8641","0.0008","90","","90.487","0.001","90","","12223.1","0.5","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C245 H317 Br4 N7 O47 -","- C245 H317 Br4 N7 O47 -","- C490 H634 Br8 N14 O94 -","2","0.5","","Vinodh, Mickey; Al-Azemi, Talal F.","Solvent-induced supramolecular self-assembly in a solid-state A1/A2-difunctionlized pillar[5]arene host","CrystEngComm","2024","26","37","5138","5143","10.1039/D4CE00771A","","","1.54178","CuKα","","0.0634","0.057","","","0.1739","0.1868","","","","","","1.039","","","","has coordinates","295215","2024-10-06","07:30:37",""
"7249223","10.6674","0.0005","10.095","0.0004","11.8549","0.0006","90","","115.445","0.006","90","","1152.79","0.11","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 F3 N O -","- C13 H12 F3 N O -","- C52 H48 F12 N4 O4 -","4","1","","Huang, Tao; Liu, Can; Yuan, Pan-Feng; Wang, Tao; Yang, Biao; Ma, Yao; Liu, Qiang","Radical cascade synthesis of γ-amino acids or γ-lactams via carboxyl-mediated intramolecular C–H amination","Green Chemistry","2024","26","18","9859","9868","10.1039/D4GC03057E","","x-ray","0.71073","MoKα","","0.0508","0.0427","","","0.1061","0.1118","","","","","","1.049","","","","has coordinates","295296","2024-10-06","08:52:28",""
"7249224","10.6343","0.0007","30.9675","0.0018","12.5823","0.0008","90","","110.817","0.002","90","","3873.1","0.4","173","2","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H48 Cl2 N6 O2 Ti -","- C37 H48 Cl2 N6 O2 Ti -","- C148 H192 Cl8 N24 O8 Ti4 -","4","1","","Flores-Romero, Víctor; LeBlanc, Jesse; Chen, Zichuan; Lavoie, Gino G.","Ti and Zr complexes bearing guanidine-phenolate ligands: coordination chemistry and polymerization studies","RSC Advances","2024","14","35","25889","25899","10.1039/D4RA05146G","","","0.71073","MoKα","","0.07","0.06","","","0.1306","0.1352","","","","","","1.191","","","","has coordinates,has disorder","294166","2024-08-18","01:01:22",""
"7249225","14.5172","0.0008","11.584","0.0006","19.1268","0.001","90","","90","","90","","3216.5","0.3","173","2","173","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C30 H46 N6 O4 Ti -","- C30 H46 N6 O4 Ti -","- C120 H184 N24 O16 Ti4 -","4","1","","Flores-Romero, Víctor; LeBlanc, Jesse; Chen, Zichuan; Lavoie, Gino G.","Ti and Zr complexes bearing guanidine-phenolate ligands: coordination chemistry and polymerization studies","RSC Advances","2024","14","35","25889","25899","10.1039/D4RA05146G","","","0.71073","MoKα","","0.0924","0.0481","","","0.1066","0.1296","","","","","","1.053","","","","has coordinates","294166","2024-08-18","01:01:23",""
"7249226","9.6548","0.0004","15.7838","0.0006","19.7193","0.0007","90","","90.246","0.002","90","","3005","0.2","173","2","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 N6 O4 Zr -","- C28 H42 N6 O4 Zr -","- C112 H168 N24 O16 Zr4 -","4","1","","Flores-Romero, Víctor; LeBlanc, Jesse; Chen, Zichuan; Lavoie, Gino G.","Ti and Zr complexes bearing guanidine-phenolate ligands: coordination chemistry and polymerization studies","RSC Advances","2024","14","35","25889","25899","10.1039/D4RA05146G","","","0.71073","MoKα","","0.0976","0.058","","","0.0979","0.1126","","","","","","1.049","","","","has coordinates","294166","2024-08-18","01:01:23",""
"7249227","23.2014","0.0007","10.7004","0.0003","24.3975","0.0007","90","","95.7949","0.0012","90","","6026.1","0.3","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 N6 O4 Ti -","- C28 H42 N6 O4 Ti -","- C224 H336 N48 O32 Ti8 -","8","2","","Flores-Romero, Víctor; LeBlanc, Jesse; Chen, Zichuan; Lavoie, Gino G.","Ti and Zr complexes bearing guanidine-phenolate ligands: coordination chemistry and polymerization studies","RSC Advances","2024","14","35","25889","25899","10.1039/D4RA05146G","","","0.71073","MoKα","","0.0643","0.0532","","","0.1254","0.1316","","","","","","1.131","","","","has coordinates,has disorder","294166","2024-08-18","01:01:23",""
"7249228","17.628","0.0006","15.8038","0.0008","15.6293","0.0014","90","","90","","90","","4354.2","0.5","140","2","140","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C19 H19 N5 O6 Zn -","- C18.997 H17.996 N5 O6 Zn -","- C151.976 H143.968 N40 O48 Zn8 -","8","0.5","","Burlak, Pavel V.; Samsonenko, Denis G.; Kovalenko, Konstantin A.; Fedin, Vladimir P.","Structural polymorphism and luminescence properties of zinc(ii) and cobalt(ii) MOFs with rigid and flexible ligands","CrystEngComm","2024","26","36","5039","5045","10.1039/D4CE00573B","","x-ray","0.71073","MoKα","","0.0648","0.0537","","","0.165","0.1722","","","","","","1.098","","","","has coordinates,has disorder","295219","2024-10-06","07:31:57",""
"7249229","17.449","0.008","15.828","0.003","15.959","0.013","90","","90","","90","","4408","4","140","2","140","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C19 H19 Co N5 O6 -","- C19 H18 Co N5 O6 -","- C152 H144 Co8 N40 O48 -","8","0.5","","Burlak, Pavel V.; Samsonenko, Denis G.; Kovalenko, Konstantin A.; Fedin, Vladimir P.","Structural polymorphism and luminescence properties of zinc(ii) and cobalt(ii) MOFs with rigid and flexible ligands","CrystEngComm","2024","26","36","5039","5045","10.1039/D4CE00573B","","","0.79313","synchrotron","","0.1374","0.0779","","","0.2281","0.2727","","","","","","0.902","","","","has coordinates,has disorder","295219","2024-10-06","07:31:58",""
"7249230","32.038","0.017","15.774","0.011","17.871","0.006","90","","90","","90","","9031","8","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C19 H21 Br N4 O5 Zn -","- C19 H18.375 Br N4 O4 Zn -","- C304 H294 Br16 N64 O64 Zn16 -","16","2","","Burlak, Pavel V.; Samsonenko, Denis G.; Kovalenko, Konstantin A.; Fedin, Vladimir P.","Structural polymorphism and luminescence properties of zinc(ii) and cobalt(ii) MOFs with rigid and flexible ligands","CrystEngComm","2024","26","36","5039","5045","10.1039/D4CE00573B","","","0.79313","synchrotron","","0.2196","0.1342","","","0.3947","0.4501","","","","","","1.03","","","","has coordinates,has disorder","295219","2024-10-06","07:31:58",""
"7249231","7.754","0.0016","9.506","0.0019","24.648","0.005","90","","96.48","0.03","90","","1805.2","0.6","221","2","221","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H15 N3 O -","- C23 H15 N3 O -","- C92 H60 N12 O4 -","4","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Self-reversible mechanofluorochromic AIEgens with tunable solid-state fluorescence: effect of acceptors and intermolecular interactions","CrystEngComm","2024","26","37","5241","5248","10.1039/D4CE00729H","","","0.63","synchrotron","","0.0916","0.053","","","0.1165","0.1311","","","","","","1.008","","","","has coordinates","295214","2024-10-06","07:30:03",""
"7249232","17.95","0.004","18.111","0.004","14.354","0.003","90","","123.79","0.03","90","","3878","2","220","2","220","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H20 N2 O3 -","- C25 H20 N2 O3 -","- C200 H160 N16 O24 -","8","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Self-reversible mechanofluorochromic AIEgens with tunable solid-state fluorescence: effect of acceptors and intermolecular interactions","CrystEngComm","2024","26","37","5241","5248","10.1039/D4CE00729H","","","0.63","synchrotron","","0.062","0.0454","","","0.1152","0.1241","","","","","","1.049","","","","has coordinates","295214","2024-10-06","07:30:12",""
"7249233","12.001","0.002","12.848","0.003","15.283","0.003","67.14","0.03","84.08","0.03","70.78","0.03","2049.5","0.9","221","2","221","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H17 N3 O2 -","- C23 H17 N3 O2 -","- C92 H68 N12 O8 -","4","2","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Self-reversible mechanofluorochromic AIEgens with tunable solid-state fluorescence: effect of acceptors and intermolecular interactions","CrystEngComm","2024","26","37","5241","5248","10.1039/D4CE00729H","","","0.63","synchrotron","","0.1592","0.0735","","","0.2089","0.2533","","","","","","0.916","","","","has coordinates","295214","2024-10-06","07:30:13",""
"7249234","7.3616","0.0004","14.2632","0.0006","19.3471","0.0008","90","","90","","90","","2031.44","0.16","273.15","","273.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H4 N22 O2 Pb3 -","- C8 H4 N22 O2 Pb3 -","- C32 H16 N88 O8 Pb12 -","4","0.5","","Li, Shu-Xian; Bi, Chong-Yuan; Wang, Yu-Chen; Yang, Hong-Kun; Yu, Yang; Jing, Zhihong; He, Yuan-Chun","Two novel emissive Pb(ii) coordination polymers: syntheses, structures, properties and WLED application","CrystEngComm","2024","26","35","4848","4854","10.1039/D4CE00607K","","","0.71073","MoKα","","0.0728","0.0523","","","0.1535","0.1696","","","","","","1.088","","","","has coordinates,has disorder","295228","2024-10-06","07:33:39",""
"7249235","11.0514","0.0006","8.226","0.0006","19.8646","0.0012","90","","90.055","0.002","90","","1805.9","0.2","293.15","","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 N22 O3 Pb -","- C8 H10 N22 O3 Pb -","- C32 H40 N88 O12 Pb4 -","4","0.5","","Li, Shu-Xian; Bi, Chong-Yuan; Wang, Yu-Chen; Yang, Hong-Kun; Yu, Yang; Jing, Zhihong; He, Yuan-Chun","Two novel emissive Pb(ii) coordination polymers: syntheses, structures, properties and WLED application","CrystEngComm","2024","26","35","4848","4854","10.1039/D4CE00607K","","","0.71073","MoKα","","0.0392","0.0384","","","0.0982","0.0985","","","","","","1.219","","","","has coordinates","295228","2024-10-06","07:33:40",""
"7249236","13.1602","0.0006","9.3426","0.0004","17.4352","0.0008","90","","94.511","0.002","90","","2137.03","0.17","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H33 N O4 S -","- C20 H33 N O4 S -","- C80 H132 N4 O16 S4 -","4","1","","Zhang, Ying; Li, Kai-Dian; Zhou, Chang-Quan; Xing, Zhi-Xi; Huang, Huan-Ming","Catalytic three-component carboamination of unactivated alkenes with primary sulfonamides","Green Chemistry","2024","26","20","10434","10440","10.1039/D4GC02879A","","","1.34138","GaKα","","0.0825","0.0642","","","0.1743","0.1829","","","","","","1.051","","","","has coordinates","296610","2024-12-06","20:00:41",""
"7249237","13.3139","0.0006","13.6689","0.0006","19.2341","0.0009","86.6362","0.0008","88.2811","0.0008","76.7955","0.0007","3401.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H62 Cd3 N8 O20 -","- C46 H18 Cd3 O20 -","- C92 H36 Cd6 O40 -","2","1","","Lan, Xue; Yang, Li; Wang, Jun; Lu, Lu; Muddassir, Mohd.; Srivastava, Devyani; Kushwaha, Aparna; Kumar, Abhinav; Pan, Ying","A new Cd(ii)-based MOF displaying flu topology as a highly sensitive and selective photoluminescent sensor for ferric and chromate ions","CrystEngComm","2024","26","38","5371","5379","10.1039/D4CE00645C","","","0.71073","MoKα","","0.0375","0.0287","","","0.0715","0.075","","","","","","1.014","","","","has coordinates","295235","2024-10-06","07:35:37",""
"7249238","21.889","0.002","18.2804","0.0018","23.621","0.002","90","","90","","90","","9451.7","1.5","113","","113","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H36 F18 N6 O10 Tb -","- C38 H36 F18 N6 O10 Tb -","- C304 H288 F144 N48 O80 Tb8 -","8","1","","Sun, Juan; Fang, Yuqing; Liao, Sisi; Luo, Tong; Gao, Shixun; Qiao, Zhenhua; Yang, Jie","2p–4f one-dimensional chains and two-dimensional networks assembled by a multicoordinating nitronyl nitroxide radical ligand","CrystEngComm","2024","26","38","5351","5357","10.1039/D4CE00764F","","","0.71073","MoKα","","0.0311","0.0256","","","0.0626","0.066","","","","","","1.039","","","","has coordinates,has disorder","295234","2024-10-06","07:35:25",""
"7249239","20.971","0.003","18.677","0.003","21.585","0.003","90","","90","","90","","8454","2","113","2","113","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H24 F18 N6 O8 Pr -","- C34 H24 F18 N6 O8 Pr -","- C272 H192 F144 N48 O64 Pr8 -","8","1","","Sun, Juan; Fang, Yuqing; Liao, Sisi; Luo, Tong; Gao, Shixun; Qiao, Zhenhua; Yang, Jie","2p–4f one-dimensional chains and two-dimensional networks assembled by a multicoordinating nitronyl nitroxide radical ligand","CrystEngComm","2024","26","38","5351","5357","10.1039/D4CE00764F","","","0.71073","MoKα","","0.1559","0.0959","","","0.2248","0.3042","","","","","","1.211","","","","has coordinates","295234","2024-10-06","07:35:26",""
"7249240","20.994","0.005","18.661","0.004","21.608","0.005","90","","90","0.007","90","","8465","3","113","","113","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H24 F18 N6 Nd O8 -","- C34 H24 F18 N6 Nd O8 -","- C272 H192 F144 N48 Nd8 O64 -","8","1","","Sun, Juan; Fang, Yuqing; Liao, Sisi; Luo, Tong; Gao, Shixun; Qiao, Zhenhua; Yang, Jie","2p–4f one-dimensional chains and two-dimensional networks assembled by a multicoordinating nitronyl nitroxide radical ligand","CrystEngComm","2024","26","38","5351","5357","10.1039/D4CE00764F","","","0.71073","MoKα","","0.1078","0.0536","","","0.1209","0.1646","","","","","","1.152","","","","has coordinates","295234","2024-10-06","07:35:28",""
"7249241","21.8966","0.0011","18.2508","0.001","23.5379","0.0013","90","","90","","90","","9406.5","0.9","113","","113","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H36 Dy F18 N6 O10 -","- C38 H36 Dy F18 N6 O10 -","- C304 H288 Dy8 F144 N48 O80 -","8","1","","Sun, Juan; Fang, Yuqing; Liao, Sisi; Luo, Tong; Gao, Shixun; Qiao, Zhenhua; Yang, Jie","2p–4f one-dimensional chains and two-dimensional networks assembled by a multicoordinating nitronyl nitroxide radical ligand","CrystEngComm","2024","26","38","5351","5357","10.1039/D4CE00764F","","","0.71073","MoKα","","0.0361","0.0313","","","0.0885","0.0906","","","","","","1.063","","","","has coordinates,has disorder","295234","2024-10-06","07:35:28",""
"7249242","9.578","0.0003","16.2412","0.0006","33.3733","0.0012","90","","96.353","0.001","90","","5159.6","0.3","145","2","145","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 I2 N4 Pd -","- C24 H26 I2 N4 Pd -","- C192 H208 I16 N32 Pd8 -","8","2","","Joshi, Om Prakash; Thirumoorthi, Ramalingam; Pardasani, Ram T.; Ray, Sriparna; Dash, Chandrakanta","Palladium(ii) complexes bearing mesoionic carbene ligands: catalytic application in domino Sonogashira coupling/cyclization reactions for one-pot synthesis of benzofuran and indole derivatives.","RSC advances","2024","14","37","27141","27152","10.1039/d4ra03485f","","","0.71073","MoKα","","0.0498","0.043","","","0.0883","0.0906","","","","","","1.206","","","","has coordinates","294268","2024-08-29","01:10:41",""
"7249243","16.017","0.003","14.142","0.003","26.803","0.006","90","","90.347","0.009","90","","6071","2","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H28 Fe2 N10 O22 -","- C54 H28 Fe2 N10 O22 -","- C216 H112 Fe8 N40 O88 -","4","0.5","","Sendh, Jagajiban; Baruah, Jubaraj B.","Bi-component sensing platform for the detection of Cd<sup>2+</sup>, Fe<sup>2+</sup>and Fe<sup>3+</sup> ions.","RSC advances","2024","14","37","27153","27161","10.1039/d4ra04655b","","","0.71073","MoKα","","0.0532","0.0404","","","0.1122","0.1258","","","","","","1.045","","","","has coordinates","294269","2024-08-29","01:11:11",""
"7249244","7.808","0.006","14.712","0.011","14.844","0.012","117.038","0.016","92.27","0.02","98.607","0.015","1490","2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H20 Fe N5 O12 -","- C32 H20 Fe N5 O12 -","- C64 H40 Fe2 N10 O24 -","2","1","","Sendh, Jagajiban; Baruah, Jubaraj B.","Bi-component sensing platform for the detection of Cd<sup>2+</sup>, Fe<sup>2+</sup>and Fe<sup>3+</sup> ions.","RSC advances","2024","14","37","27153","27161","10.1039/d4ra04655b","","","0.71073","MoKα","","0.0415","0.0375","","","0.1037","0.1062","","","","","","1.067","","","","has coordinates","294269","2024-08-29","01:11:11",""
"7249245","10.9599","0.0003","10.3802","0.0004","14.7603","0.0004","90","","92.621","0.003","90","","1677.46","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Nifedipine","dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C68 H72 N8 O24 -","4","1","","Singh, Vishal; Rajput, Khushbu; Singh, Sundaram; Srivastava, Vandana","Montmorillonite K-10 catalyzed synthesis of Hantzsch dihydropyridine derivatives from methyl arenes <i>via in situ</i> generated ammonia under microwave irradiation in neat conditions.","RSC advances","2024","14","37","27086","27091","10.1039/d4ra04990j","","x-ray","1.54184","CuKα","","0.1041","0.0873","","","0.2781","0.2991","","","","","","1.106","","","","has coordinates","294270","2024-08-29","01:11:27",""
"7249246","18.7156","0.0007","8.5123","0.0003","21.5158","0.0009","90","","90","","90","","3427.7","0.2","180","","180","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6,6-difluoro-4-(4-methoxyphenyl)-5-(p-tolyl)-2-(trifluoromethyl)-6H-1,3-oxazine","","- C19 H14 F5 N O2 -","- C19 H14 F5 N O2 -","- C152 H112 F40 N8 O16 -","8","1","","Janecký, Lukáš; Klepetářová, Blanka; Beier, Petr","Transformation of 5-acylated <i>N</i>-fluoroalkyl-1,2,3-triazoles to trifluoromethylated ring-fused isoquinolines, 1,3-oxazines, and 1,3-oxazin-6-ones <i>via</i> ketenimines.","RSC advances","2024","14","37","26938","26942","10.1039/d4ra04794j","","x-ray","1.54178","CuKα","","0.0452","0.0398","","0.1099","0.1033","0.1098","","","","","","0.9901","","","","has coordinates","294271","2024-08-29","01:12:04",""
"7249247","4.8502","0.0002","10.1006","0.0003","14.4402","0.0005","109.303","0.0012","97.3122","0.0013","95.91","0.0013","654.23","0.04","180","","180","","","","","","","","","5","P -1","-P 1","2","","2-fluoro-8-methoxy-2-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-cyclopenta[c]isoquinolin-1-one","","- C15 H11 F4 N O2 -","- C15 H11 F4 N O2 -","- C30 H22 F8 N2 O4 -","2","1","","Janecký, Lukáš; Klepetářová, Blanka; Beier, Petr","Transformation of 5-acylated <i>N</i>-fluoroalkyl-1,2,3-triazoles to trifluoromethylated ring-fused isoquinolines, 1,3-oxazines, and 1,3-oxazin-6-ones <i>via</i> ketenimines.","RSC advances","2024","14","37","26938","26942","10.1039/d4ra04794j","","x-ray","1.54178","CuKα","","0.0355","0.0335","","0.0963","0.0929","0.0963","","","","","","0.978","","","","has coordinates","294271","2024-08-29","01:12:04",""
"7249248","11.2617","0.0004","14.3039","0.0005","9.125","0.0003","90","","109.16","0.0011","90","","1388.48","0.08","180","","180","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-phenyl-4-(thiophen-2-yl)-2-(trifluoromethyl)-6H-1,3-oxazin-6-one","","- C15 H8 F3 N O2 S -","- C15 H8 F3 N O2 S -","- C60 H32 F12 N4 O8 S4 -","4","1","","Janecký, Lukáš; Klepetářová, Blanka; Beier, Petr","Transformation of 5-acylated <i>N</i>-fluoroalkyl-1,2,3-triazoles to trifluoromethylated ring-fused isoquinolines, 1,3-oxazines, and 1,3-oxazin-6-ones <i>via</i> ketenimines.","RSC advances","2024","14","37","26938","26942","10.1039/d4ra04794j","","x-ray","1.54178","CuKα","","0.0298","0.0284","","0.0738","0.0719","0.0738","","","","","","0.9336","","","","has coordinates,has disorder","294271","2024-08-29","01:12:04",""
"7249249","19.8615","0.0012","17.7218","0.001","17.2448","0.0012","90","","90","","90","","6069.9","0.7","150","","150","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C54 H48 Cl2 N3 O21 Zr6 -","- C54 H48 Cl2 N3 O21 Zr6 -","- C216 H192 Cl8 N12 O84 Zr24 -","4","0.25","","Xu, Ting-Ting; Wei, De-Sheng; Li, Shuang-Bao; Zhang, Yu-Teng; Lv, Nan","One-step synthesis of pure-phase amino-functionalized zirconium-based capsule ZrC-1-NH2 for photocatalytic degradation of tetracycline","CrystEngComm","2024","26","38","5431","5439","10.1039/D4CE00721B","","","1.34139","GaKα","","0.0716","0.068","","","0.1991","0.2027","","","","","","1.046","","","","has coordinates","295236","2024-10-06","07:35:45",""
"7249250","17.9102","0.0006","7.1842","0.0003","18.6886","0.0007","90","","103.454","0.002","90","","2338.68","0.15","193","","193","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H16 N4 O2 -","- C33 H16 N4 O2 -","- C132 H64 N16 O8 -","4","1","","Zhang, Jiacheng; Yao, Lei; Li, Wenju; Zhang, Yongyi; Jin, Tao; Wang, Guan; Zhang, Jing; Zhao, Jianfeng","Red luminescent helical ribbons based on a non-polar charge-transfer complex","CrystEngComm","2024","26","35","4777","4781","10.1039/D4CE00733F","","","1.54178","CuKα","","0.073","0.0491","","","0.121","0.1371","","","","","","1.025","","","","has coordinates","295231","2024-10-06","07:34:02",""
"7249251","6.5962","0.0001","9.2091","0.0002","42.8057","0.0008","90","","93.645","0.001","90","","2594.98","0.08","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H18 F6 N2 S2 -","- C29 H18 F6 N2 S2 -","- C116 H72 F24 N8 S8 -","4","1","","Shiromae, Ryotaro; Nakagawa, Yuma; Watanabe, Shota; Nishimura, Ryo; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo","Reversible change of luster color from pale yellow to wine red in microcrystalline film by photochromic diarylethene having a naphthyl group","CrystEngComm","2024","26","36","5090","5098","10.1039/D4CE00717D","","","0.71073","MoKa","","0.0535","0.0482","","","0.1303","0.1329","","","","","","1.04","","","","has coordinates,has disorder","295227","2024-10-06","07:33:31",""
"7249252","6.5925","0.0001","9.2167","0.0002","42.8136","0.0009","90","","93.633","0.001","90","","2596.17","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H18 F6 N2 S2 -","- C29 H18 F6 N2 S2 -","- C116 H72 F24 N8 S8 -","4","1","","Shiromae, Ryotaro; Nakagawa, Yuma; Watanabe, Shota; Nishimura, Ryo; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo","Reversible change of luster color from pale yellow to wine red in microcrystalline film by photochromic diarylethene having a naphthyl group","CrystEngComm","2024","26","36","5090","5098","10.1039/D4CE00717D","","","0.71073","MoKa","","0.0623","0.0555","","","0.156","0.1591","","","","","","1.067","","","","has coordinates,has disorder","295227","2024-10-06","07:33:31",""
"7249253","8.2038","0.0009","8.2643","0.0009","10.5638","0.001","105.06","0.009","106.146","0.009","103.841","0.01","625.76","0.13","149.99","0.1","149.99","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C17 H14 S -","- C17 H14 S -","- C34 H28 S2 -","2","1","","Qin, Shengxiang; Zhang, Yaqi; Jiang, Long; Tse, Man Kin; Chan, Albert S. C.; Qiu, Liqin","Acid-catalyzed regioselective remote heteroarylation of alkenes via CC bond migration","Green Chemistry","2024","26","19","10299","10307","10.1039/D4GC03356F","","x-ray","1.54184","CuKα","","0.0502","0.0436","","","0.1285","0.14","","","","","","0.986","","","","has coordinates","295294","2024-10-06","08:52:06",""
"7249254","7.639","0.0005","9.6446","0.0005","15.2699","0.0009","90.88","0.002","100.392","0.002","102.199","0.002","1079.9","0.11","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H35 Cl2 N -","- C21.924 H34.772 Cl1.91 N -","- C43.848 H69.544 Cl3.82 N2 -","2","1","","Zheng, Cameron H. M.; Nadeau, Ben E.; Trajano, Heather L.; Schafer, Laurel L.","Exploiting natural complexity for substrate controlled regioselectivity and stereoselectivity in tantalum catalysed hydroaminoalkylation","Green Chemistry","2024","26","18","9729","9736","10.1039/D4GC01614A","","","0.71073","MoKα","","0.0687","0.0496","","","0.1101","0.1194","","","","","","1.036","","","","has coordinates,has disorder","295295","2024-10-06","08:52:20",""
"7249255","7.0051","0.0006","18.9291","0.0014","36.914","0.003","90","","90","","90","","4894.8","0.7","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H68 Cl2 N2 -","- C44 H68 Cl2 N2 -","- C176 H272 Cl8 N8 -","4","1","","Zheng, Cameron H. M.; Nadeau, Ben E.; Trajano, Heather L.; Schafer, Laurel L.","Exploiting natural complexity for substrate controlled regioselectivity and stereoselectivity in tantalum catalysed hydroaminoalkylation","Green Chemistry","2024","26","18","9729","9736","10.1039/D4GC01614A","","","1.54178","CuKα","","0.1935","0.1423","","","0.3421","0.3828","","","","","","1.305","","","","has coordinates,has disorder","295295","2024-10-06","08:52:21",""
"7249256","6.3413","0.0001","27.4987","0.0005","7.7848","0.0001","90","","91.554","0.002","90","","1356.99","0.04","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 F5 I P Se -","- C9 H9 F5 I P Se -","- C36 H36 F20 I4 P4 Se4 -","4","1","","Zakharov, Anton S.; Krutin, Danil V.; Mosalyov, Pavel O.; Tupikina, Elena Yu; Antonov, Alexander S.; Tolstoy, Peter M.; Mulloyarova, Valeriya V.","Phosphine selenides: versatile NMR probes for analyzing hydrogen OH⋯Se and halogen I⋯Se bonds.","Physical chemistry chemical physics : PCCP","2024","26","37","24488","24497","10.1039/d4cp01895h","","x-ray","1.54184","CuKα","","0.0257","0.0244","","","0.0602","0.061","","","","","","1.048","","","","has coordinates","296704","2024-12-06","20:49:25",""
"7249257","45.2038","0.0008","19.0461","0.0003","28.9481","0.0005","90","","114.7","0.001","90","","22642.8","0.7","193","","193","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","123","","- C72 H56.82 Cu4 I2 N14 O2 S4 W -","- C65.9996 H42.812 Cu4 I2 N12.0004 S4 W -","- C527.997 H342.496 Cu32 I16 N96.0032 S32 W8 -","8","1","","Xu, Meng-Yuan; Wu, Qian; Wang, Chen; Sun, Yao; Teng, Yu-Kang; Zhang, Rui; Lu, Zhen-Zhong","Coordination polymers and supramolecular cages based on [(MS4)Cux]x−2 cluster units and N-containing ligands","CrystEngComm","2024","26","39","5585","5590","10.1039/D4CE00493K","","","1.54178","CuKα","","0.0672","0.0479","","","0.139","0.1506","","","","","","1.061","","","","has coordinates,has disorder","296469","2024-12-06","17:37:20",""
"7249258","13.515","0.0004","17.6465","0.0007","28.1103","0.0009","90","","93.475","0.002","90","","6691.8","0.4","193","","193","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C49 H49 Cu4 I2 N11 O3 S4 W -","- C49 H49 Cu4 I2 N11 O3 S4 W -","- C196 H196 Cu16 I8 N44 O12 S16 W4 -","4","1","","Xu, Meng-Yuan; Wu, Qian; Wang, Chen; Sun, Yao; Teng, Yu-Kang; Zhang, Rui; Lu, Zhen-Zhong","Coordination polymers and supramolecular cages based on [(MS4)Cux]x−2 cluster units and N-containing ligands","CrystEngComm","2024","26","39","5585","5590","10.1039/D4CE00493K","","","1.54178","CuKα","","0.0622","0.0497","","","0.137","0.1454","","","","","","1.049","","","","has coordinates,has disorder","296469","2024-12-06","17:37:21",""
"7249259","11.3271","0.0005","13.5211","0.0006","33.2108","0.0016","90","","90","","90","","5086.4","0.4","213","","213","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C31 H57 Cl5 Cu4 N6 O2 S6 W -","- C31 H57 Cl5 Cu4 N6 O2 S6 W -","- C124 H228 Cl20 Cu16 N24 O8 S24 W4 -","4","1","","Xu, Meng-Yuan; Wu, Qian; Wang, Chen; Sun, Yao; Teng, Yu-Kang; Zhang, Rui; Lu, Zhen-Zhong","Coordination polymers and supramolecular cages based on [(MS4)Cux]x−2 cluster units and N-containing ligands","CrystEngComm","2024","26","39","5585","5590","10.1039/D4CE00493K","","","1.54178","CuKα","","0.0674","0.0636","","","0.1467","0.1491","","","","","","1.059","","","","has coordinates","296469","2024-12-06","17:37:21",""
"7249260","11.839","0.0007","13.8931","0.0008","21.9722","0.0014","82.885","0.004","77.181","0.004","89.955","0.003","3495.5","0.4","223","","223","","","","","","","","","8","P 1","P 1","1","","","","- C72 H132 Cu10 I12 Mo2 N18 O6 S8 -","- C54 H90 Cu10 I12 Mo2 N12 S8 -","- C54 H90 Cu10 I12 Mo2 N12 S8 -","1","1","","Xu, Meng-Yuan; Wu, Qian; Wang, Chen; Sun, Yao; Teng, Yu-Kang; Zhang, Rui; Lu, Zhen-Zhong","Coordination polymers and supramolecular cages based on [(MS4)Cux]x−2 cluster units and N-containing ligands","CrystEngComm","2024","26","39","5585","5590","10.1039/D4CE00493K","","","1.54178","CuKα","","0.1066","0.0902","","","0.2435","0.2661","","","","","","0.993","","","","has coordinates","296469","2024-12-06","17:37:21",""
"7249261","11.3261","0.0007","13.5698","0.0008","33.11","0.002","90","","90.112","0.003","90","","5088.8","0.5","193","","193","","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C66 H125 Br2 Cl8 Cu8 N12 O6 S14 W2 -","- C66 H125 Br2 Cl8 Cu8 N12 O6 S14 W2 -","- C132 H250 Br4 Cl16 Cu16 N24 O12 S28 W4 -","2","1","","Xu, Meng-Yuan; Wu, Qian; Wang, Chen; Sun, Yao; Teng, Yu-Kang; Zhang, Rui; Lu, Zhen-Zhong","Coordination polymers and supramolecular cages based on [(MS4)Cux]x−2 cluster units and N-containing ligands","CrystEngComm","2024","26","39","5585","5590","10.1039/D4CE00493K","","","1.54178","CuKα","","0.0501","0.0467","","","0.1346","0.139","","","","","","1.052","","","","has coordinates","296469","2024-12-06","17:37:21",""
"7249262","20.0824","0.0003","20.0824","0.0003","20.0824","0.0003","90","","90","","90","","8099.3","0.2","213","","213","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C30 H51 Cu3 I4 N6 S4 W -","- C30 H51 Cu3 I4 N6 S4 W -","- C240 H408 Cu24 I32 N48 S32 W8 -","8","0.333333","","Xu, Meng-Yuan; Wu, Qian; Wang, Chen; Sun, Yao; Teng, Yu-Kang; Zhang, Rui; Lu, Zhen-Zhong","Coordination polymers and supramolecular cages based on [(MS4)Cux]x−2 cluster units and N-containing ligands","CrystEngComm","2024","26","39","5585","5590","10.1039/D4CE00493K","","","0.71073","MoKα","","0.0321","0.0311","","","0.0958","0.0967","","","","","","1.063","","","","has coordinates","296469","2024-12-06","17:37:21",""
"7249263","19.6933","0.0003","19.6933","0.0003","19.6933","0.0003","90","","90","","90","","7637.6","0.2","223","","223","","","","","","","","","8","P a -3","-P 2ac 2ab 3","205","","","","- C30 H51 Br Cl3 Cu3 N6 S4 W -","- C30 H51 Br Cl3 Cu3 N6 S4 W -","- C240 H408 Br8 Cl24 Cu24 N48 S32 W8 -","8","0.333333","","Xu, Meng-Yuan; Wu, Qian; Wang, Chen; Sun, Yao; Teng, Yu-Kang; Zhang, Rui; Lu, Zhen-Zhong","Coordination polymers and supramolecular cages based on [(MS4)Cux]x−2 cluster units and N-containing ligands","CrystEngComm","2024","26","39","5585","5590","10.1039/D4CE00493K","","","0.71073","MoKα","","0.068","0.0621","","","0.1989","0.2049","","","","","","0.912","","","","has coordinates","296469","2024-12-06","17:37:21",""
"7249264","19.6427","0.0017","18.5826","0.0016","8.2741","0.0006","90","","90","","90","","3020.1","0.4","100","2","100","2","","","","","","","","3","A e a 2","A 2 -2ab","41","","1,1?-(octa-1,3,5,7-tetrayne-1,8-diyl)dicyclopentanol","","- C18 H18 O2 -","- C18 H18 O2 -","- C144 H144 O16 -","8","1","","Sethi, Tapaswini; Das, Dinabandhu","Switching from positive to negative thermal expansion in a tetrayne-diol compound","CrystEngComm","2024","26","37","5133","5137","10.1039/D4CE00703D","","","0.71073","MoKα","","0.0388","0.0365","","","0.096","0.0985","","","","","","1.051","","","","has coordinates","295213","2024-10-06","07:29:48",""
"7249265","19.6451","0.0012","18.8313","0.0011","8.3108","0.0004","90","","90","","90","","3074.5","0.3","200","2","200","2","","","","","","","","3","A e a 2","A 2 -2ab","41","","1,1?-(octa-1,3,5,7-tetrayne-1,8-diyl)dicyclopentanol","","- C18 H18 O2 -","- C18 H18 O2 -","- C144 H144 O16 -","8","1","","Sethi, Tapaswini; Das, Dinabandhu","Switching from positive to negative thermal expansion in a tetrayne-diol compound","CrystEngComm","2024","26","37","5133","5137","10.1039/D4CE00703D","","","0.71073","MoKα","","0.0515","0.0448","","","0.1205","0.1273","","","","","","1.044","","","","has coordinates","295213","2024-10-06","07:29:48",""
"7249266","19.6437","0.0013","18.7051","0.0012","8.2918","0.0005","90","","90","","90","","3046.7","0.3","150","2","150","2","","","","","","","","3","A e a 2","A 2 -2ab","41","","1,1?-(octa-1,3,5,7-tetrayne-1,8-diyl)dicyclopentanol","","- C18 H18 O2 -","- C18 H18 O2 -","- C144 H144 O16 -","8","1","","Sethi, Tapaswini; Das, Dinabandhu","Switching from positive to negative thermal expansion in a tetrayne-diol compound","CrystEngComm","2024","26","37","5133","5137","10.1039/D4CE00703D","","","0.71073","MoKα","","0.045","0.0414","","","0.1091","0.1125","","","","","","1.082","","","","has coordinates","295213","2024-10-06","07:29:48",""
"7249267","19.6354","0.0011","18.9619","0.001","8.3324","0.0004","90","","90","","90","","3102.4","0.3","250","2","250","2","","","","","","","","3","A e a 2","A 2 -2ab","41","","1,1?-(octa-1,3,5,7-tetrayne-1,8-diyl)dicyclopentanol","","- C18 H18 O2 -","- C18 H18 O2 -","- C144 H144 O16 -","8","1","","Sethi, Tapaswini; Das, Dinabandhu","Switching from positive to negative thermal expansion in a tetrayne-diol compound","CrystEngComm","2024","26","37","5133","5137","10.1039/D4CE00703D","","","0.71073","MoKα","","0.0593","0.0469","","","0.124","0.1359","","","","","","1.047","","","","has coordinates","295213","2024-10-06","07:29:48",""
"7249268","19.6266","0.001","19.0995","0.0009","8.357","0.0004","90","","90","","90","","3132.7","0.3","300","2","300","2","","","","","","","","3","A e a 2","A 2 -2ab","41","","1,1?-(octa-1,3,5,7-tetrayne-1,8-diyl)dicyclopentanol","","- C18 H18 O2 -","- C18 H18 O2 -","- C144 H144 O16 -","8","1","","Sethi, Tapaswini; Das, Dinabandhu","Switching from positive to negative thermal expansion in a tetrayne-diol compound","CrystEngComm","2024","26","37","5133","5137","10.1039/D4CE00703D","","","0.71073","MoKα","","0.0638","0.051","","","0.1446","0.1587","","","","","","1.089","","","","has coordinates","295213","2024-10-06","07:29:48",""
"7249269","19.6202","0.0013","19.2474","0.0012","8.3912","0.0005","90","","90","","90","","3168.8","0.3","350","2","350","2","","","","","","","","3","A e a 2","A 2 -2ab","41","","1,1?-(octa-1,3,5,7-tetrayne-1,8-diyl)dicyclopentanol","","- C18 H18 O2 -","- C18 H18 O2 -","- C144 H144 O16 -","8","1","","Sethi, Tapaswini; Das, Dinabandhu","Switching from positive to negative thermal expansion in a tetrayne-diol compound","CrystEngComm","2024","26","37","5133","5137","10.1039/D4CE00703D","","","0.71073","MoKα","","0.0799","0.0572","","","0.1607","0.1822","","","","","","1.063","","","","has coordinates","295213","2024-10-06","07:29:48",""
"7249270","14.0652","0.0003","8.189","0.0002","17.7221","0.0004","90","","103.601","0.002","90","","1983.99","0.08","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","cesium cerium iodate","dicesium cerium hexaiodate","","- Ce Cs2 I6 O18 -","- Ce Cs2 I6 O18 -","- Ce4 Cs8 I24 O72 -","4","0.5","","Grigorieva, Oksana P.; Shvanskaya, Larisa V.; Shatalova, Tatiana B.; Zolotarev, Andrey A.; Berdonosov, Peter S.; Dolgikh, Valery A.","Novel cesium cerium(iv) iodate Cs2Ce(IO3)6: hydrothermal synthesis, crystal structures and thermal stability","CrystEngComm","2024","26","39","5599","5606","10.1039/D4CE00722K","","","0.71073","MoKα","","0.0179","0.0164","","","0.0361","0.0365","","","","","","1.075","","","","has coordinates","296462","2024-12-06","17:30:26",""
"7249271","11.057","","10.978","","7.917","","90","","90","","90","","960.995","","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","2PyMIGHBr","","","- C7 H10 Br N5 -","- C7 H10 Br N5 -","- C28 H40 Br4 N20 -","4","1","","Dang, Duy-Khoi; Einkauf, Jeffrey D.; Ma, Xinyou; Custelcean, Radu; Ma, Ying-Zhong; Zimmerman, Paul M.; Bryantsev, Vyacheslav S.","Photoisomerization mechanism of iminoguanidinium receptors from spectroscopic methods and quantum chemical calculations.","Physical chemistry chemical physics : PCCP","2024","26","36","24008","24020","10.1039/d4cp02747g","","","0.71073","MoKα","","0.0193","0.0183","","","0.0422","0.0427","","","","","","1.077","","","","has coordinates","296712","2024-12-06","20:51:31",""
"7249272","13.8767","0.0004","13.7096","0.0004","26.8754","0.0008","90","","103.797","0.003","90","","4965.4","0.3","299","2","299","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H16 Cd N2 O12 -","- C28 H16 Cd N2 O12 -","- C224 H128 Cd8 N16 O96 -","8","1","","Hou, Yaxin; Liu, Yang; Chai, Juan","A Cd-based MOF: iodine capture and enhanced efficiency of perovskite solar cells","RSC Advances","2024","14","38","27697","27702","10.1039/D4RA05219F","","x-ray","0.71073","MoKα","","0.0505","0.0378","","","0.0969","0.1033","","","","","","1.062","","","","has coordinates","294335","2024-09-03","01:17:51",""
"7249273","22.162","0.003","7.1809","0.001","10.8505","0.0015","90","","90","","90","","1726.8","0.4","100.01","0.1","100.01","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C7 H8 N2 O3 S -","- C7 H8 N2 O3 S -","- C56 H64 N16 O24 S8 -","8","1","","Pate, Sophie; Taujanskas, Joshua; Wells, Robyn; Robertson, Craig M.; O'Neill, Paul M.; Stachulski, Andrew V.","Convenient syntheses of 2-acylamino-4-halothiazoles and acylated derivatives using a versatile Boc-intermediate","RSC Advances","2024","14","38","27894","27903","10.1039/D4RA04959D","","x-ray","0.71073","MoKα","","0.0349","0.0306","","","0.0833","0.0867","","","","","","1.064","","","","has coordinates","294336","2024-09-03","01:18:20",""
"7249274","5.0499","0.0002","7.4591","0.0003","9.4964","0.0003","90.462","0.003","91.106","0.003","108.081","0.004","339.94","0.02","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C5 H5 Cl N2 O S -","- C5 H5 Cl N2 O S -","- C10 H10 Cl2 N4 O2 S2 -","2","1","","Pate, Sophie; Taujanskas, Joshua; Wells, Robyn; Robertson, Craig M.; O'Neill, Paul M.; Stachulski, Andrew V.","Convenient syntheses of 2-acylamino-4-halothiazoles and acylated derivatives using a versatile Boc-intermediate","RSC Advances","2024","14","38","27894","27903","10.1039/D4RA04959D","","x-ray","0.71073","MoKα","","0.0264","0.0251","","","0.0691","0.0701","","","","","","1.067","","","","has coordinates","294336","2024-09-03","01:18:20",""
"7249275","20.4035","0.0006","8.6054","0.0003","23.5849","0.0006","90","","90","","90","","4141","0.2","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H30 Cl2 N4 O12 S2 -","- C42 H30 Cl2 N4 O12 S2 -","- C168 H120 Cl8 N16 O48 S8 -","4","1","","Pate, Sophie; Taujanskas, Joshua; Wells, Robyn; Robertson, Craig M.; O'Neill, Paul M.; Stachulski, Andrew V.","Convenient syntheses of 2-acylamino-4-halothiazoles and acylated derivatives using a versatile Boc-intermediate","RSC Advances","2024","14","38","27894","27903","10.1039/D4RA04959D","","","0.71073","MoKα","","0.0584","0.0441","","","0.0999","0.1082","","","","","","1.038","","","","has coordinates","294336","2024-09-03","01:18:20",""
"7249276","7.6951","0.0003","8.025","0.0002","11.2161","0.0006","83.335","0.003","76.981","0.004","81.112","0.003","664.34","0.05","303","2","303","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 Co N5 O4 -","- C14 H11 Co N5 O4 -","- C28 H22 Co2 N10 O8 -","2","1","","Mei, Zhen-Zhong; Wang, Hong-Yu; Ren, Chao; Yang, Ying; Gu, Jin-Zhong","Hydrothermal synthesis, structures, and catalytic performance of five coordination compounds driven by 5-aminoisophthalic acid","RSC Advances","2024","14","38","28160","28167","10.1039/D4RA05352D","","","0.71073","MoKα","","0.0406","0.0369","","","0.0759","0.0772","","","","","","1.136","","","","has coordinates","294354","2024-09-04","01:18:05",""
"7249277","7.8965","0.0001","8.168","0.0001","11.425","0.0002","83.743","0.001","77.408","0.002","81.266","0.001","708.63","0.018","285","2","285","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 Cd N5 O4 -","- C14 H11 Cd N5 O4 -","- C28 H22 Cd2 N10 O8 -","2","1","","Mei, Zhen-Zhong; Wang, Hong-Yu; Ren, Chao; Yang, Ying; Gu, Jin-Zhong","Hydrothermal synthesis, structures, and catalytic performance of five coordination compounds driven by 5-aminoisophthalic acid","RSC Advances","2024","14","38","28160","28167","10.1039/D4RA05352D","","","1.54184","CuKα","","0.0237","0.0226","","","0.0579","0.0584","","","","","","1.037","","","","has coordinates","294354","2024-09-04","01:18:05",""
"7249278","11.9238","0.0003","8.0959","0.0002","18.3412","0.0005","90","","95.998","0.002","90","","1760.85","0.08","303","2","303","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 N10 Ni2 O16 -","- C28 H38 N10 Ni2 O16 -","- C56 H76 N20 Ni4 O32 -","2","0.5","","Mei, Zhen-Zhong; Wang, Hong-Yu; Ren, Chao; Yang, Ying; Gu, Jin-Zhong","Hydrothermal synthesis, structures, and catalytic performance of five coordination compounds driven by 5-aminoisophthalic acid","RSC Advances","2024","14","38","28160","28167","10.1039/D4RA05352D","","","0.71073","MoKα","","0.0384","0.0324","","","0.0864","0.0922","","","","","","1.031","","","","has coordinates","294354","2024-09-04","01:18:05",""
"7249279","11.0968","0.0004","22.3594","0.0007","11.6156","0.0004","90","","107.065","0.004","90","","2755.15","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H25 N4 Ni O5 -","- C32 H25 N4 Ni O5 -","- C128 H100 N16 Ni4 O20 -","4","1","","Mei, Zhen-Zhong; Wang, Hong-Yu; Ren, Chao; Yang, Ying; Gu, Jin-Zhong","Hydrothermal synthesis, structures, and catalytic performance of five coordination compounds driven by 5-aminoisophthalic acid","RSC Advances","2024","14","38","28160","28167","10.1039/D4RA05352D","","","0.71073","MoKα","","0.0364","0.03","","","0.0788","0.0826","","","","","","1.051","","","","has coordinates","294354","2024-09-04","01:18:06",""
"7249280","10.1262","0.0003","13.2389","0.0003","13.3575","0.0003","88.8838","0.0017","75.6606","0.0019","74.27","0.002","1667.76","0.08","303","2","303","2","","","","","","","","5","P 1","P 1","1","","","","- C60 H55 N9 Ni3 O14 -","- C60 H55 N9 Ni3 O14 -","- C60 H55 N9 Ni3 O14 -","1","1","","Mei, Zhen-Zhong; Wang, Hong-Yu; Ren, Chao; Yang, Ying; Gu, Jin-Zhong","Hydrothermal synthesis, structures, and catalytic performance of five coordination compounds driven by 5-aminoisophthalic acid","RSC Advances","2024","14","38","28160","28167","10.1039/D4RA05352D","","","1.54184","CuKα","","0.0438","0.042","","","0.1184","0.1205","","","","","","1.066","","","","has coordinates","294354","2024-09-04","01:18:07",""
"7249281","9.5063","0.0002","16.1542","0.0006","19.9926","0.0007","90","","95.61","0.003","90","","3055.49","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H35 Br2 Co N5 O2 -","- C27 H35 Br2 Co N5 O2 -","- C108 H140 Br8 Co4 N20 O8 -","4","1","","Zahradníková, Eva; Pichon, Céline; Duhayon, Carine; Sutter, Jean-Pascal; Halaš, Petr; Drahoš, Bohuslav","Synthesis, structural and magnetic properties of cobalt(ii) complexes with pyridine-based macrocyclic ligand containing two pyridine pendant arms","RSC Advances","2024","14","38","28138","28147","10.1039/D4RA02387K","","","1.54184","CuKα","","0.0754","0.0538","","","0.1438","0.1588","","","","","","1.037","","","","has coordinates","294355","2024-09-04","01:19:11",""
"7249282","9.4553","0.0003","9.5655","0.0003","18.0521","0.0005","84.509","0.002","85.684","0.002","69.475","0.003","1520.53","0.09","99.98","0.13","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H35 Co N7 O2 S2 -","- C29 H35 Co N7 O2 S2 -","- C58 H70 Co2 N14 O4 S4 -","2","1","","Zahradníková, Eva; Pichon, Céline; Duhayon, Carine; Sutter, Jean-Pascal; Halaš, Petr; Drahoš, Bohuslav","Synthesis, structural and magnetic properties of cobalt(ii) complexes with pyridine-based macrocyclic ligand containing two pyridine pendant arms","RSC Advances","2024","14","38","28138","28147","10.1039/D4RA02387K","","","1.54184","CuKα","","0.0697","0.0624","","","0.1597","0.1647","","","","","","1.03","","","","has coordinates,has disorder","294355","2024-09-04","01:19:12",""
"7249283","9.8084","0.0002","16.5786","0.0003","20.3177","0.0003","90","","92.489","0.002","90","","3300.73","0.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H35 Cl0.51 Co I1.49 N5 O4.05 -","- C27 H35 Cl0.513 Co I1.487 N5 O4.052 -","- C108 H140 Cl2.052 Co4 I5.948 N20 O16.208 -","4","1","","Zahradníková, Eva; Pichon, Céline; Duhayon, Carine; Sutter, Jean-Pascal; Halaš, Petr; Drahoš, Bohuslav","Synthesis, structural and magnetic properties of cobalt(ii) complexes with pyridine-based macrocyclic ligand containing two pyridine pendant arms","RSC Advances","2024","14","38","28138","28147","10.1039/D4RA02387K","","","1.54184","CuKα","","0.0561","0.0473","","","0.1282","0.1341","","","","","","1.032","","","","has coordinates,has disorder","294355","2024-09-04","01:19:12",""
"7249284","10.1831","0.0003","15.8178","0.0004","19.919","0.0006","90","","93.777","0.003","90","","3201.47","0.16","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H35 Cl Co N6 O7 -","- C28 H35 Cl Co N6 O7 -","- C112 H140 Cl4 Co4 N24 O28 -","4","1","","Zahradníková, Eva; Pichon, Céline; Duhayon, Carine; Sutter, Jean-Pascal; Halaš, Petr; Drahoš, Bohuslav","Synthesis, structural and magnetic properties of cobalt(ii) complexes with pyridine-based macrocyclic ligand containing two pyridine pendant arms","RSC Advances","2024","14","38","28138","28147","10.1039/D4RA02387K","","","1.54184","CuKα","","0.071","0.0567","","","0.1553","0.1634","","","","","","1.077","","","","has coordinates,has disorder","294355","2024-09-04","01:19:12",""
"7249285","10.2781","0.0004","15.7954","0.0004","19.6987","0.0005","90","","95.297","0.003","90","","3184.36","0.17","100","0.13","100","0.13","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H35 Cl Co N8 O6 -","- C27 H35 Cl Co N8 O6 -","- C108 H140 Cl4 Co4 N32 O24 -","4","1","","Zahradníková, Eva; Pichon, Céline; Duhayon, Carine; Sutter, Jean-Pascal; Halaš, Petr; Drahoš, Bohuslav","Synthesis, structural and magnetic properties of cobalt(ii) complexes with pyridine-based macrocyclic ligand containing two pyridine pendant arms","RSC Advances","2024","14","38","28138","28147","10.1039/D4RA02387K","","","1.54184","CuKα","","0.0881","0.0639","","","0.1708","0.1869","","","","","","1.033","","","","has coordinates,has disorder","294355","2024-09-04","01:19:12",""
"7249286","9.2098","0.0001","32.9484","0.0003","9.7803","0.0001","90","","90","","90","","2967.81","0.05","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H35 Co N7 O2 S2 -","- C29 H35 Co N7 O2 S2 -","- C116 H140 Co4 N28 O8 S8 -","4","1","","Zahradníková, Eva; Pichon, Céline; Duhayon, Carine; Sutter, Jean-Pascal; Halaš, Petr; Drahoš, Bohuslav","Synthesis, structural and magnetic properties of cobalt(ii) complexes with pyridine-based macrocyclic ligand containing two pyridine pendant arms","RSC Advances","2024","14","38","28138","28147","10.1039/D4RA02387K","","","1.54184","CuKα","","0.0274","0.0268","","0.0733","0.073","0.0733","","","","","","0.9526","","","","has coordinates","294355","2024-09-04","01:19:13",""
"7249287","11.7197","0.0002","12.7121","0.0002","17.4599","0.0003","74.413","0.002","71.436","0.002","86.54","0.001","2374.28","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H88 Dy2 N10 O46 -","- C96 H88 Dy2 N10 O46 -","- C96 H88 Dy2 N10 O46 -","1","0.5","","Chen, Jia-Ting; Kuang, Xiao-Man; Li, You-Hong; Zhong, Yun-Jing; Zhang, Hui; Su, Jia-Yin; Chen, Wen-Bin; Dong, Wen","Syntheses, structures and magnetic properties of three dinuclear, one-dimensional and two-dimensional dysprosium(iii) complexes based on naphthalene diimide salicylic acid","CrystEngComm","2024","26","38","5461","5468","10.1039/D4CE00751D","","","0.71073","MoKα","","0.0489","0.0398","","","0.1018","0.1059","","","","","","1.072","","","","has coordinates,has disorder","295232","2024-10-06","07:34:18",""
"7249288","8.877","0.0003","37.7347","0.0009","8.9024","0.0004","90","","119.789","0.005","90","","2588","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Dy N2 O14 -","- C28 H19 Dy N2 O14 -","- C112 H76 Dy4 N8 O56 -","4","1","","Chen, Jia-Ting; Kuang, Xiao-Man; Li, You-Hong; Zhong, Yun-Jing; Zhang, Hui; Su, Jia-Yin; Chen, Wen-Bin; Dong, Wen","Syntheses, structures and magnetic properties of three dinuclear, one-dimensional and two-dimensional dysprosium(iii) complexes based on naphthalene diimide salicylic acid","CrystEngComm","2024","26","38","5461","5468","10.1039/D4CE00751D","","x-ray","0.71073","MoKα","","0.0483","0.0382","","","0.0738","0.0768","","","","","","1.124","","","","has coordinates","295232","2024-10-06","07:34:18",""
"7249289","11.554","0.0002","12.8863","0.0002","19.4414","0.0003","83.021","0.001","74.564","0.002","84.63","0.001","2763.83","0.08","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C54 H58 Dy N7 O25 -","- C54 H58 Dy N7 O25 -","- C108 H116 Dy2 N14 O50 -","2","1","","Chen, Jia-Ting; Kuang, Xiao-Man; Li, You-Hong; Zhong, Yun-Jing; Zhang, Hui; Su, Jia-Yin; Chen, Wen-Bin; Dong, Wen","Syntheses, structures and magnetic properties of three dinuclear, one-dimensional and two-dimensional dysprosium(iii) complexes based on naphthalene diimide salicylic acid","CrystEngComm","2024","26","38","5461","5468","10.1039/D4CE00751D","","x-ray","1.54184","CuKα","","0.0588","0.0514","","","0.1348","0.1396","","","","","","1.054","","","","has coordinates,has disorder","295232","2024-10-06","07:34:18",""
"7249290","9.7335","0.0002","13.0898","0.0004","38.4467","0.0011","90","","90","","90","","4898.5","0.2","200","0.1","200","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C54 H65 N2 O8 -","- C54 H65 N2 O8 -","- C216 H260 N8 O32 -","4","1","","Zhang, Liming; Yang, Chen; Wang, Xinhai; Yang, Taixin; Yang, Dandan; Dou, Yingchao; Niu, Jun-Long","Enantioselective electrosynthesis of inherently chiral calix[4]arenes via a cobalt-catalyzed aryl C–H acyloxylation","Green Chemistry","2024","26","19","10232","10239","10.1039/D4GC02877E","","x-ray","1.54184","CuKα","","0.0666","0.0552","","","0.153","0.1636","","","","","","1.051","","","","has coordinates","295293","2024-10-06","08:51:56",""
"7249291","6.6573","0.0006","11.266","0.0008","16.8729","0.0014","97.191","0.003","93.243","0.003","102.955","0.003","1218.88","0.17","193","","193","","","","","","","","","3","P -1","-P 1","2","","","","- C31 H30 O4 -","- C31 H30 O4 -","- C62 H60 O8 -","2","1","","Yuan, Chengcheng; Liu, Guanru; Guan, Wenjing; Hang, Jinlin; Fang, Zheng; Liu, Chengkou; Guo, Kai","De novo synthesis of 6-6-5 fused systems through electrochemical decarboxylation and radical domino additions","Green Chemistry","2024","26","19","10308","10313","10.1039/D4GC03260H","","x-ray","0.71073","MoKα","","0.103","0.066","","","0.1699","0.2009","","","","","","1.04","","","","has coordinates","295292","2024-10-06","08:51:31",""
"7249292","7.1863","0.0006","12.593","0.0011","12.7172","0.0008","73.565","0.007","88.489","0.006","82.365","0.007","1093.98","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","nitropentaamminecobalt(III)-nitro-nitritopentaamminecobalt(III)tri-iodidechloride(nitrito-deficient)","nitropentaamminecobalt(III)-nitro-nitritopentaamminecobalt(III)tri-iodidechloride(nitrito-deficient)","","- Cl Co2 H30 I3 N12 O4 -","- Cl Co2 H30 I3 N12 O4 -","- Cl2 Co4 H60 I6 N24 O8 -","2","1","","Kalinina, Polina P.; Zakharov, Boris A.","Unusual linkage photoisomerization in [Co(NH3)2NO2]2I3Cl single crystals","CrystEngComm","2024","26","36","4958","4963","10.1039/D4CE00734D","","","0.71073","MoKα","","0.0617","0.0415","","","0.0966","0.1035","","","","","","1.032","","","","has coordinates,has disorder","295218","2024-10-06","07:31:44",""
"7249293","7.184","0.0003","12.5765","0.0004","12.7925","0.0004","72.667","0.003","88.833","0.003","82.125","0.003","1092.65","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","di-pentaamminenitrocobalt(III)tri-iodidechloride","di-pentaamminenitrocobalt(III)tri-iodidechloride","","- Cl Co2 H30 I3 N12 O4 -","- Cl Co2 H30 I3 N12 O4 -","- Cl2 Co4 H60 I6 N24 O8 -","2","1","","Kalinina, Polina P.; Zakharov, Boris A.","Unusual linkage photoisomerization in [Co(NH3)2NO2]2I3Cl single crystals","CrystEngComm","2024","26","36","4958","4963","10.1039/D4CE00734D","","","0.71073","MoKα","","0.0359","0.0268","","","0.061","0.071","","","","","","1.11","","","","has coordinates","295218","2024-10-06","07:31:45",""
"7249294","17.2168","0.0004","13.7528","0.0003","31.2747","0.0008","90","","90","","90","","7405.2","0.3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H24 N5 Nd O7 -","- C32 H24 N5 Nd O7 -","- C256 H192 N40 Nd8 O56 -","8","1","","Wang, Shengyu; Macreadie, Lauren K.; Hanton, Lyall R.","Pillared lanthanide metal organic frameworks with sinusoidal channels formed from bent mixed-donor phenanthroline based ligands of different length","CrystEngComm","2024","26","39","5541","5549","10.1039/D4CE00691G","","","1.54184","CuKα","","0.0732","0.0538","","","0.1359","0.152","","","","","","1.038","","","","has coordinates","296465","2024-12-06","17:31:20",""
"7249295","16.9927","0.0002","13.7367","0.0002","31.1677","0.0004","90","","90","","90","","7275.28","0.17","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H14 Gd N4 O6 -","- C28 H14 Gd N4 O6 -","- C224 H112 Gd8 N32 O48 -","8","1","","Wang, Shengyu; Macreadie, Lauren K.; Hanton, Lyall R.","Pillared lanthanide metal organic frameworks with sinusoidal channels formed from bent mixed-donor phenanthroline based ligands of different length","CrystEngComm","2024","26","39","5541","5549","10.1039/D4CE00691G","","","1.54184","CuKα","","0.0614","0.0448","","","0.1143","0.1226","","","","","","1.034","","","","has coordinates","296465","2024-12-06","17:31:20",""
"7249296","20.278","0.002","19.807","0.003","13.8628","0.0013","90","","90.242","0.01","90","","5567.9","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H19 N4 Nd O6 -","- C34 H19 N4 Nd O6 -","- C136 H76 N16 Nd4 O24 -","4","1","","Wang, Shengyu; Macreadie, Lauren K.; Hanton, Lyall R.","Pillared lanthanide metal organic frameworks with sinusoidal channels formed from bent mixed-donor phenanthroline based ligands of different length","CrystEngComm","2024","26","39","5541","5549","10.1039/D4CE00691G","","","1.54184","CuKα","","0.1738","0.1502","","","0.432","0.4566","","","","","","1.008","","","","has coordinates","296465","2024-12-06","17:31:20",""
"7249297","20.1","0.002","15.437","0.0019","17.768","0.003","90","","90.956","0.013","90","","5512.4","1.3","100","3","100","3","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C41 H37 N6 Nd O6 -","- C41 H37 N6 Nd O6 -","- C164 H148 N24 Nd4 O24 -","4","1","","Wang, Shengyu; Macreadie, Lauren K.; Hanton, Lyall R.","Pillared lanthanide metal organic frameworks with sinusoidal channels formed from bent mixed-donor phenanthroline based ligands of different length","CrystEngComm","2024","26","39","5541","5549","10.1039/D4CE00691G","","","1.54184","CuKα","","0.1659","0.0766","","","0.1715","0.2057","","","","","","0.898","","","","has coordinates","296465","2024-12-06","17:31:20",""
"7249298","24.8521","0.0012","15.2782","0.0004","29.4804","0.0011","90","","94.618","0.004","90","","11157.2","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H27.5 Gd N4.5 O6.62 -","- C42 H27.5 Gd N4.5 O6.625 -","- C336 H220 Gd8 N36 O53 -","8","2","","Wang, Shengyu; Macreadie, Lauren K.; Hanton, Lyall R.","Pillared lanthanide metal organic frameworks with sinusoidal channels formed from bent mixed-donor phenanthroline based ligands of different length","CrystEngComm","2024","26","39","5541","5549","10.1039/D4CE00691G","","","1.54184","CuKα","","0.1811","0.0935","","","0.2557","0.3105","","","","","","0.976","","","","has coordinates","296465","2024-12-06","17:31:20",""
"7249299","11.3262","0.0017","15.883","0.002","16.168","0.002","90","","109.122","0.006","90","","2748","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H60 Br4 N4 O8 -","- C62 H60 Br4 N4 O8 -","- C124 H120 Br8 N8 O16 -","2","0.5","","Shinkawa, Shoyo; Kawahata, Masatoshi; Yamaguchi, Kentaro; Tominaga, Masahide","Dimeric structures of ketones and esters in porous adaptive crystals of adamantane-containing macrocycle","CrystEngComm","2024","26","38","5358","5363","10.1039/D4CE00718B","","","1.54178","CuKα","","0.0369","0.0345","","","0.0924","0.0945","","","","","","1.026","","","","has coordinates","295238","2024-10-06","07:36:11",""
"7249300","10.8936","0.001","11.346","0.001","12.0159","0.0011","68.692","0.004","89.676","0.004","86.232","0.004","1380.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H60 Br4 N4 O12 -","- C62 H60 Br4 N4 O12 -","- C62 H60 Br4 N4 O12 -","1","0.5","","Shinkawa, Shoyo; Kawahata, Masatoshi; Yamaguchi, Kentaro; Tominaga, Masahide","Dimeric structures of ketones and esters in porous adaptive crystals of adamantane-containing macrocycle","CrystEngComm","2024","26","38","5358","5363","10.1039/D4CE00718B","","","1.54178","CuKα","","0.0509","0.0482","","","0.1331","0.1358","","","","","","1.041","","","","has coordinates","295238","2024-10-06","07:36:11",""
"7249301","10.7974","0.0015","11.3923","0.0016","12.1371","0.0017","67.421","0.004","88.195","0.005","85.102","0.004","1373.5","0.3","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H60 Br4 N4 O10 -","- C52 H44 Br4 N4 O4 -","- C52 H44 Br4 N4 O4 -","1","0.5","","Shinkawa, Shoyo; Kawahata, Masatoshi; Yamaguchi, Kentaro; Tominaga, Masahide","Dimeric structures of ketones and esters in porous adaptive crystals of adamantane-containing macrocycle","CrystEngComm","2024","26","38","5358","5363","10.1039/D4CE00718B","","","1.54178","CuKα","","0.0317","0.0298","","","0.081","0.0822","","","","","","1.057","","","","has coordinates","295238","2024-10-06","07:36:11",""
"7249302","10.7974","0.0015","11.3923","0.0016","12.1371","0.0017","67.421","0.004","88.195","0.005","85.102","0.004","1373.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60.84 H58.15 Br4 N4 O9.3 -","- C60.84 H58.144 Br4 N4 O9.304 -","- C60.84 H58.144 Br4 N4 O9.304 -","1","0.5","","Shinkawa, Shoyo; Kawahata, Masatoshi; Yamaguchi, Kentaro; Tominaga, Masahide","Dimeric structures of ketones and esters in porous adaptive crystals of adamantane-containing macrocycle","CrystEngComm","2024","26","38","5358","5363","10.1039/D4CE00718B","","","1.54178","CuKα","","0.0574","0.055","","","0.1591","0.161","","","","","","1.087","","","","has coordinates,has disorder","295238","2024-10-06","07:36:11",""
"7249303","11.6223","0.0018","15.384","0.002","15.956","0.003","90","","109.037","0.005","90","","2696.9","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H60 Br4 N4 O8 -","- C60 H60 Br4 N4 O8 -","- C120 H120 Br8 N8 O16 -","2","0.5","","Shinkawa, Shoyo; Kawahata, Masatoshi; Yamaguchi, Kentaro; Tominaga, Masahide","Dimeric structures of ketones and esters in porous adaptive crystals of adamantane-containing macrocycle","CrystEngComm","2024","26","38","5358","5363","10.1039/D4CE00718B","","","1.54178","CuKα","","0.0342","0.0328","","","0.091","0.0927","","","","","","1.06","","","","has coordinates","295238","2024-10-06","07:36:11",""
"7249304","24.8694","0.0003","7.34027","0.00012","15.1137","0.0002","90","","102.084","0.0013","90","","2697.84","0.07","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 F3 I N2 -","- C14 H8 F3 I N2 -","- C112 H64 F24 I8 N16 -","8","1","","Li, Haonan; Gao, Chenping; Li, Zhibin; Guo, Yanchun; Cao, Shuxia; Zhao, Yufen","Structural insight into imidazopyridines and benzimidazoles: the importance of the hydrogen bond, π-stacking interactions and intramolecular charge transfer effect for fluorescence","CrystEngComm","2024","26","38","5380","5392","10.1039/D4CE00714J","","x-ray","1.54184","CuKα","","0.0494","0.0455","","","0.1178","0.1224","","","","","","1.102","","","","has coordinates,has disorder","295237","2024-10-06","07:35:55",""
"7249305","7.4481","0.0003","12.5608","0.0007","13.0832","0.0008","90","","90","","90","","1223.99","0.11","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 N2 -","- C17 H12 N2 -","- C68 H48 N8 -","4","1","","Li, Haonan; Gao, Chenping; Li, Zhibin; Guo, Yanchun; Cao, Shuxia; Zhao, Yufen","Structural insight into imidazopyridines and benzimidazoles: the importance of the hydrogen bond, π-stacking interactions and intramolecular charge transfer effect for fluorescence","CrystEngComm","2024","26","38","5380","5392","10.1039/D4CE00714J","","x-ray","1.54184","CuKα","","0.0507","0.0401","","","0.0968","0.1043","","","","","","1.059","","","","has coordinates","295237","2024-10-06","07:35:56",""
"7249306","8.8835","0.0011","8.8835","0.0011","14.4","0.002","90","","90","","90","","1136.4","0.3","293","2","293","2","","","","","","","","3","P 41","P 4w","76","","","","- C14 H12 N2 -","- C14 H12 N2 -","- C56 H48 N8 -","4","1","","Li, Haonan; Gao, Chenping; Li, Zhibin; Guo, Yanchun; Cao, Shuxia; Zhao, Yufen","Structural insight into imidazopyridines and benzimidazoles: the importance of the hydrogen bond, π-stacking interactions and intramolecular charge transfer effect for fluorescence","CrystEngComm","2024","26","38","5380","5392","10.1039/D4CE00714J","","","1.54184","CuKα","","0.0508","0.0392","","","0.1048","0.1181","","","","","","1.051","","","","has coordinates","295237","2024-10-06","07:35:56",""
"7249307","7.2378","0.001","11.8288","0.0014","12.7296","0.0017","90","","92.175","0.005","90","","1089.1","0.2","300","","300","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 N3 -","- C14 H9 N3 -","- C56 H36 N12 -","4","1","","Li, Haonan; Gao, Chenping; Li, Zhibin; Guo, Yanchun; Cao, Shuxia; Zhao, Yufen","Structural insight into imidazopyridines and benzimidazoles: the importance of the hydrogen bond, π-stacking interactions and intramolecular charge transfer effect for fluorescence","CrystEngComm","2024","26","38","5380","5392","10.1039/D4CE00714J","","","0.71073","MoKα","","0.0455","0.0356","","","0.0874","0.0935","","","","","","1.107","","","","has coordinates","295237","2024-10-06","07:35:56",""
"7249308","8.269","0.008","40.45","0.05","9.081","0.01","90","","112.25","0.03","90","","2811","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Cu N4 O7 -","- C30 H26 Cu N4 O7 -","- C120 H104 Cu4 N16 O28 -","4","1","","Stocchetti, Sara; Vanco, Jan; Belza, Jan; Dvorak, Zdenek; Travnicek, Zdenek","Strong in vitro anticancer activity of copper(II) and zinc(II) complexes containing naturally occurring Lapachol: Cellular effects in ovarian A2780 cells","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00543K","","","0.71073","MoKα","","0.0828","0.0582","","","0.1255","0.1341","","","","","","1.272","","","","has coordinates","294693","2024-09-09","23:59:31",""
"7249309","10.625","0.01","14.831","0.016","22.8","0.02","90","","93","0.05","90","","3588","6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H36 N2 O6 Zn -","- C43 H36 N2 O6 Zn -","- C172 H144 N8 O24 Zn4 -","4","1","","Stocchetti, Sara; Vanco, Jan; Belza, Jan; Dvorak, Zdenek; Travnicek, Zdenek","Strong in vitro anticancer activity of copper(II) and zinc(II) complexes containing naturally occurring Lapachol: Cellular effects in ovarian A2780 cells","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00543K","","","0.71073","MoKα","","0.1546","0.0755","","","0.1625","0.197","","","","","","1.021","","","","has coordinates","294693","2024-09-09","23:59:32",""
"7249310","12.533","0.006","13.657","0.006","14.655","0.007","104.069","0.015","106.86","0.02","100.62","0.03","2239.1","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H42 N2 O6 Zn -","- C54 H42 N2 O6 Zn -","- C108 H84 N4 O12 Zn2 -","2","1","","Stocchetti, Sara; Vanco, Jan; Belza, Jan; Dvorak, Zdenek; Travnicek, Zdenek","Strong in vitro anticancer activity of copper(II) and zinc(II) complexes containing naturally occurring Lapachol: Cellular effects in ovarian A2780 cells","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00543K","","","0.71073","MoKα","","0.0882","0.05","","","0.1056","0.1237","","","","","","1.027","","","","has coordinates","294693","2024-09-09","23:59:33",""
"7249311","19.69338","0.00009","11.64098","0.00005","16.29945","0.00009","90","","111.348","0.0006","90","","3480.27","0.03","273","2","273","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Dy N15 O9 -","- C28 H22 Dy N15 O9 -","- C112 H88 Dy4 N60 O36 -","4","0.5","","Zou, Chen; Jiang, Xiaofeng; Mei, Hao; Xu, Guiying; Tan, Jiashuo; Chen, Sihuai; Yuan, Jun; Jia, Lihui","Luminescence and magnetic properties of mononuclear Ln(iii) complexes using an N1-substituted 1,2,3-triazole ligand","CrystEngComm","2024","26","39","5655","5663","10.1039/D4CE00713A","","x-ray","1.54184","CuKα","","0.0213","0.0211","","","0.0582","0.0584","","","","","","1.08","","","","has coordinates","296466","2024-12-06","17:31:41",""
"7249312","19.5199","0.0001","11.4695","0.0001","16.2186","0.0001","90","","111.286","0.001","90","","3383.36","0.05","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N15 O9 Tb -","- C28 H24 N15 O9 Tb -","- C112 H96 N60 O36 Tb4 -","4","0.5","","Zou, Chen; Jiang, Xiaofeng; Mei, Hao; Xu, Guiying; Tan, Jiashuo; Chen, Sihuai; Yuan, Jun; Jia, Lihui","Luminescence and magnetic properties of mononuclear Ln(iii) complexes using an N1-substituted 1,2,3-triazole ligand","CrystEngComm","2024","26","39","5655","5663","10.1039/D4CE00713A","","x-ray","1.54184","CuKα","","0.0315","0.0311","","","0.0817","0.0821","","","","","","1.052","","","","has coordinates","296466","2024-12-06","17:31:42",""
"7249313","19.5223","0.0002","11.4455","0.0001","16.287","0.0001","90","","111.382","0.001","90","","3388.72","0.06","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Eu N15 O9 -","- C28 H24 Eu N15 O9 -","- C112 H96 Eu4 N60 O36 -","4","0.5","","Zou, Chen; Jiang, Xiaofeng; Mei, Hao; Xu, Guiying; Tan, Jiashuo; Chen, Sihuai; Yuan, Jun; Jia, Lihui","Luminescence and magnetic properties of mononuclear Ln(iii) complexes using an N1-substituted 1,2,3-triazole ligand","CrystEngComm","2024","26","39","5655","5663","10.1039/D4CE00713A","","x-ray","1.54184","CuKα","","0.0324","0.0319","","","0.0804","0.0809","","","","","","1.05","","","","has coordinates","296466","2024-12-06","17:31:42",""
"7249314","10.1573","0.0009","12.2406","0.0011","12.6327","0.0012","115.38","0.002","93.68","0.003","107.83","0.002","1315.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H16 I2 N4 O4 Zn -","- C26 H16 I2 N4 O4 Zn -","- C52 H32 I4 N8 O8 Zn2 -","2","1","","Zhang, Yifang; Kang, Ming; Zhang, Shimin; Gao, Bohong; Hao, Pengfei; Shen, Junju; Li, Gaopeng; Fu, Yunlong","Effect of iodide on the electronic and photoresponsive behaviors of 1D naphthalenediimide-based zinc coordination polymers","CrystEngComm","2024","26","40","5757","5766","10.1039/D4CE00882K","","","0.71073","MoKα","","0.1023","0.0465","","","0.0805","0.0957","","","","","","1.005","","","","has coordinates","296484","2024-12-06","17:45:28",""
"7249315","25.3483","0.0017","13.9149","0.0008","16.2708","0.001","90","","103.754","0.003","90","","5574.5","0.6","293.15","","293.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C55 H39 I4 N9 O9 Zn2 -","- C55 H39 I4 N9 O9 Zn2 -","- C220 H156 I16 N36 O36 Zn8 -","4","0.5","","Zhang, Yifang; Kang, Ming; Zhang, Shimin; Gao, Bohong; Hao, Pengfei; Shen, Junju; Li, Gaopeng; Fu, Yunlong","Effect of iodide on the electronic and photoresponsive behaviors of 1D naphthalenediimide-based zinc coordination polymers","CrystEngComm","2024","26","40","5757","5766","10.1039/D4CE00882K","","","0.71073","MoKα","","0.087","0.0445","","","0.1268","0.1501","","","","","","0.961","","","","has coordinates,has disorder","296484","2024-12-06","17:45:30",""
"7249316","25.494","0.003","13.9506","0.0019","16.205","0.002","90","","102.081","0.005","90","","5635.8","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C57 H41 I4 N9 O9 Zn2 -","- C57 H41 I4 N9 O9 Zn2 -","- C228 H164 I16 N36 O36 Zn8 -","4","0.5","","Zhang, Yifang; Kang, Ming; Zhang, Shimin; Gao, Bohong; Hao, Pengfei; Shen, Junju; Li, Gaopeng; Fu, Yunlong","Effect of iodide on the electronic and photoresponsive behaviors of 1D naphthalenediimide-based zinc coordination polymers","CrystEngComm","2024","26","40","5757","5766","10.1039/D4CE00882K","","","0.71073","MoKα","","0.0629","0.0373","","","0.1142","0.1334","","","","","","0.932","","","","has coordinates,has disorder","296484","2024-12-06","17:45:30",""
"7249317","25.493","0.004","13.949","0.003","16.199","0.003","90","","102.121","0.006","90","","5632","1.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H41 I4 N9 O9 Zn2 -","- C56 H41 I4 N9 O9 Zn2 -","- C224 H164 I16 N36 O36 Zn8 -","4","0.5","","Zhang, Yifang; Kang, Ming; Zhang, Shimin; Gao, Bohong; Hao, Pengfei; Shen, Junju; Li, Gaopeng; Fu, Yunlong","Effect of iodide on the electronic and photoresponsive behaviors of 1D naphthalenediimide-based zinc coordination polymers","CrystEngComm","2024","26","40","5757","5766","10.1039/D4CE00882K","","","0.71073","MoKα","","0.0791","0.0426","","","0.0825","0.0939","","","","","","1.018","","","","has coordinates,has disorder","296484","2024-12-06","17:45:30",""
"7249318","7.0942","0.0003","10.814","0.0005","12.5483","0.0006","79.409","0.001","79.146","0.001","76.001","0.001","907.66","0.07","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C8.5 H13.1 N2 S0.5 -","- C8.5 H13.1 N2 S0.5 -","- C34 H52.4 N8 S2 -","4","2","","Shukla, Soni; Trivedi, Prince; Johnson, Delna; Sharma, Pulkit; Jha, Abhinav; Khan, Habiba; Thiruvenkatam, Vijay; Banerjee, Monisha; Bishnoi, Abha","Synthesis, crystal structure analysis, computational modelling and evaluation of anti-cervical cancer activity of novel 1,5-dicyclooctyl thiocarbohydrazone.","Physical chemistry chemical physics : PCCP","2024","26","36","24135","24150","10.1039/d4cp02286f","","","0.71073","MoKα","","0.0737","0.0529","","","0.1477","0.1652","","","","","","1.054","","","","has coordinates,has disorder","296711","2024-12-06","20:51:23",""
"7249319","8.1008","0.0007","8.2512","0.0006","10.7542","0.0008","76.846","0.006","78.005","0.007","89.406","0.006","684.17","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 F8 I4 O4 -","- C20 H16 F8 I4 O4 -","- C20 H16 F8 I4 O4 -","1","0.5","","Wang, Weizhou; Ji, Baoming","The C–I⋯O halogen bonding in crown ether chemistry","CrystEngComm","2024","26","38","5309","5313","10.1039/D4CE00853G","","","0.71073","MoKα","","0.0534","0.0377","","","0.0685","0.0776","","","","","","1.042","","","","has coordinates","295233","2024-10-06","07:34:47",""
"7249320","12.3775","0.0018","7.6176","0.001","22.623","0.003","90","","100.287","0.013","90","","2098.8","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 F4 I2 O5 -","- C16 H20 F4 I2 O5 -","- C64 H80 F16 I8 O20 -","4","1","","Wang, Weizhou; Ji, Baoming","The C–I⋯O halogen bonding in crown ether chemistry","CrystEngComm","2024","26","38","5309","5313","10.1039/D4CE00853G","","","0.71073","MoKα","","0.1262","0.0878","","","0.246","0.3317","","","","","","1.128","","","","has coordinates,has disorder","295233","2024-10-06","07:34:47",""
"7249321","14.2455","0.0005","10.6548","0.0005","15.5033","0.0005","90","","94.012","0.003","90","","2347.37","0.16","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C18 H24 F4 I2 O6 -","- C18 H24 F4 I2 O6 -","- C72 H96 F16 I8 O24 -","4","0.5","","Wang, Weizhou; Ji, Baoming","The C–I⋯O halogen bonding in crown ether chemistry","CrystEngComm","2024","26","38","5309","5313","10.1039/D4CE00853G","","x-ray","0.71073","MoKα","","0.0317","0.0268","","","0.0524","0.0544","","","","","","1.059","","","","has coordinates","295233","2024-10-06","07:34:47",""
"7249322","9.7355","0.0006","12.4217","0.0007","18.1787","0.0011","88.582","0.005","80.631","0.005","78.136","0.005","2122.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H40 F8 I4 O10 -","- C32 H40 F8 I4 O10 -","- C64 H80 F16 I8 O20 -","2","1","","Wang, Weizhou; Ji, Baoming","The C–I⋯O halogen bonding in crown ether chemistry","CrystEngComm","2024","26","38","5309","5313","10.1039/D4CE00853G","","","0.71073","MoKα","","0.093","0.0607","","","0.1542","0.1778","","","","","","1.033","","","","has coordinates","295233","2024-10-06","07:34:47",""
"7249323","7.6327","0.0005","8.0627","0.0006","15.0373","0.0012","88.107","0.006","77.223","0.006","89.966","0.006","901.97","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 F8 I4 O10 -","- C24 H32 F8 I4 O10 -","- C24 H32 F8 I4 O10 -","1","0.5","","Wang, Weizhou; Ji, Baoming","The C–I⋯O halogen bonding in crown ether chemistry","CrystEngComm","2024","26","38","5309","5313","10.1039/D4CE00853G","","","0.71073","MoKα","","0.0601","0.0419","","","0.0885","0.0957","","","","","","1.11","","","","has coordinates","295233","2024-10-06","07:34:47",""
"7249324","7.5395","0.0006","8.6077","0.0007","12.2413","0.001","94.007","0.007","103.778","0.007","113.576","0.007","694.9","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 F4 I2 O2 -","- C10 H8 F4 I2 O2 -","- C20 H16 F8 I4 O4 -","2","1","","Wang, Weizhou; Ji, Baoming","The C–I⋯O halogen bonding in crown ether chemistry","CrystEngComm","2024","26","38","5309","5313","10.1039/D4CE00853G","","","0.71073","MoKα","","0.0609","0.041","","","0.0819","0.0966","","","","","","1.056","","","","has coordinates","295233","2024-10-06","07:34:47",""
"7249325","4.6368","0.0005","29.139","0.004","7.3508","0.0006","90","","97.411","0.009","90","","984.88","0.19","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H16 F3 I3 O4 -","- C14 H16 F3 I3 O4 -","- C28 H32 F6 I6 O8 -","2","0.5","","Wang, Weizhou; Ji, Baoming","The C–I⋯O halogen bonding in crown ether chemistry","CrystEngComm","2024","26","38","5309","5313","10.1039/D4CE00853G","","x-ray","0.71073","MoKα","","0.08","0.0531","","","0.0957","0.1101","","","","","","1.078","","","","has coordinates,has disorder","295233","2024-10-06","07:34:47",""
"7249326","7.5332","0.0005","13.18","0.0008","14.1357","0.0008","105.855","0.005","91.408","0.005","103.061","0.005","1309.59","0.15","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H30 F4 I2 O9 -","- C18 H30 F4 I2 O9 -","- C36 H60 F8 I4 O18 -","2","1","","Wang, Weizhou; Ji, Baoming","The C–I⋯O halogen bonding in crown ether chemistry","CrystEngComm","2024","26","38","5309","5313","10.1039/D4CE00853G","","","1.54184","CuKα","","0.0677","0.0572","","","0.1499","0.1642","","","","","","1.026","","","","has coordinates","295233","2024-10-06","07:34:47",""
"7249327","12.0376","0.0004","15.4508","0.0008","7.5142","0.0003","90","","95.12","0.003","90","","1391.99","0.1","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 F4 I2 O2 -","- C10 H8 F4 I2 O2 -","- C40 H32 F16 I8 O8 -","4","1","","Wang, Weizhou; Ji, Baoming","The C–I⋯O halogen bonding in crown ether chemistry","CrystEngComm","2024","26","38","5309","5313","10.1039/D4CE00853G","","x-ray","0.71073","MoKα","","0.0615","0.0439","","","0.0858","0.0949","","","","","","1.06","","","","has coordinates,has disorder","295233","2024-10-06","07:34:47",""
"7249328","16.1779","0.0009","8.4631","0.0004","25.3518","0.0015","90","","105.819","0.006","90","","3339.6","0.3","295","2","295.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H19 F6 I6 O5 -","- C22 H20 F6 I6 O5 -","- C88 H80 F24 I24 O20 -","4","1","","Wang, Weizhou; Ji, Baoming","The C–I⋯O halogen bonding in crown ether chemistry","CrystEngComm","2024","26","38","5309","5313","10.1039/D4CE00853G","","x-ray","0.71073","MoKα","","0.0432","0.0388","","","0.0902","0.0949","","","","","","1.05","","","","has coordinates","295233","2024-10-06","07:34:47",""
"7249329","7.481","0.0005","22.1452","0.0019","14.686","0.0011","90","","103.285","0.007","90","","2367.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 F4 I2 O7 -","- C16 H24 F4 I2 O7 -","- C64 H96 F16 I8 O28 -","4","1","","Wang, Weizhou; Ji, Baoming","The C–I⋯O halogen bonding in crown ether chemistry","CrystEngComm","2024","26","38","5309","5313","10.1039/D4CE00853G","","x-ray","0.71073","MoKα","","0.0865","0.0594","","","0.1128","0.1279","","","","","","1.024","","","","has coordinates","295233","2024-10-06","07:34:47",""
"7249330","7.854","0.0006","15.3678","0.0014","27.2763","0.0016","90","","90","","90","","3292.2","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H12 F4 I2 O3 -","- C12 H12 F4 I2 O3 -","- C96 H96 F32 I16 O24 -","8","1","","Wang, Weizhou; Ji, Baoming","The C–I⋯O halogen bonding in crown ether chemistry","CrystEngComm","2024","26","38","5309","5313","10.1039/D4CE00853G","","","0.71073","MoKα","","0.0665","0.049","","","0.0987","0.1059","","","","","","1.133","","","","has coordinates","295233","2024-10-06","07:34:47",""
"7249331","8.5263","0.0006","25.6556","0.0016","8.8944","0.0005","90","","115.244","0.008","90","","1759.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 F6 I6 O6 -","- C24 H24 F6 I6 O6 -","- C48 H48 F12 I12 O12 -","2","0.5","","Wang, Weizhou; Ji, Baoming","The C–I⋯O halogen bonding in crown ether chemistry","CrystEngComm","2024","26","38","5309","5313","10.1039/D4CE00853G","","","0.71073","MoKα","","0.0815","0.0629","","","0.151","0.1642","","","","","","1.0778","","","","has coordinates","295233","2024-10-06","07:34:47",""
"7249332","10.1982","0.0003","15.7867","0.0006","35.274","0.0011","87.532","0.003","83.977","0.003","72.535","0.003","5386.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H72 Cl2 Fe N5 O7 -","- C57 H72 Cl2 Fe N5 O7 -","- C228 H288 Cl8 Fe4 N20 O28 -","4","2","","Poungsripong, Peeranuch; Boonprab, Theerapoom; Harding, Phimphaka; Murray, Keith S.; Phonsri, Wasinee; Zhang, Ningjin; Kitchen, Jonathan A.; Harding, David J.","Synthesis, mixed-spin-state structure and Langmuir-Blodgett deposition of amphiphilic Fe(iii) quinolylsalicylaldiminate complexes.","RSC advances","2024","14","39","28716","28723","10.1039/d4ra06111j","","x-ray","0.71073","MoKα","K-L~3~","0.1346","0.072","","","0.1572","0.1923","","","","","","1.025","","","","has coordinates","294728","2024-09-12","01:06:19",""
"7249333","11.284","0.0004","12.1389","0.0004","19.1724","0.0005","87.836","0.002","79.244","0.002","74.869","0.003","2490.4","0.14","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C28 H37 N2 O2.5 -","- C28 H37 N2 O2.5 -","- C112 H148 N8 O10 -","4","2","","Poungsripong, Peeranuch; Boonprab, Theerapoom; Harding, Phimphaka; Murray, Keith S.; Phonsri, Wasinee; Zhang, Ningjin; Kitchen, Jonathan A.; Harding, David J.","Synthesis, mixed-spin-state structure and Langmuir-Blodgett deposition of amphiphilic Fe(iii) quinolylsalicylaldiminate complexes.","RSC advances","2024","14","39","28716","28723","10.1039/d4ra06111j","","x-ray","0.71073","MoKα","","0.1076","0.0568","","","0.1323","0.158","","","","","","1.017","","","","has coordinates,has disorder","294728","2024-09-12","01:06:21",""
"7249334","9.8693","0.0002","13.684","0.0004","19.1526","0.0005","73.048","0.001","84.514","0.001","70.062","0.001","2325.88","0.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H44 Ho2 N8 O17 -","- C39 H44 Ho2 N8 O17 -","- C78 H88 Ho4 N16 O34 -","2","1","","Abbas, Muhammad; Degani, Murtaza; Sheybani, Simin; Shah, Tejas; Joy, Monu; Balkus, Kenneth J.","Synthesis and characterization of holmium based metal–organic frameworks","CrystEngComm","2024","26","39","5567","5573","10.1039/D4CE00592A","","","0.71073","MoKα","","0.0326","0.0251","","","0.0498","0.0559","","","","","","1.222","","","","has coordinates,has disorder","296468","2024-12-06","17:36:36",""
"7249335","18.0917","0.0005","18.0917","0.0005","45.523","0.002","90","","90","","120","","12903.9","0.8","200","2","200","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C96 H36 F12.98 Ho12 N12 O51.02 -","- C96 H36 F13 Ho12 N12 O51 -","- C288 H108 F39 Ho36 N36 O153 -","3","0.0833333","","Abbas, Muhammad; Degani, Murtaza; Sheybani, Simin; Shah, Tejas; Joy, Monu; Balkus, Kenneth J.","Synthesis and characterization of holmium based metal–organic frameworks","CrystEngComm","2024","26","39","5567","5573","10.1039/D4CE00592A","","","0.71073","MoKα","","0.0958","0.0615","","","0.148","0.1906","","","","","","1.196","","","","has coordinates,has disorder","296468","2024-12-06","17:36:36",""
"7249336","11.8573","0.0009","6.2066","0.0005","15.9257","0.0012","90","","99.161","0.007","90","","1157.08","0.16","100","2","100","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C22 H14 F10 Hg O4 Pd -","- C22 H14 F10 Hg O4 Pd -","- C44 H28 F20 Hg2 O8 Pd2 -","2","0.25","","Rozhkov, Anton V.; Tupikina, Elena Yu.; Tugashov, Kirill I.; Kukushkin, Vadim Yu.","Pure heterometallic spodium bonding","CrystEngComm","2024","26","39","5607","5616","10.1039/D4CE00825A","","x-ray","1.54184","CuKα","","0.0408","0.0405","","","0.1134","0.1137","","","","","","1.189","","","","has coordinates,has disorder","296463","2024-12-06","17:30:45",""
"7249337","11.8245","0.0003","6.2102","0.0002","15.9199","0.0004","90","","99.276","0.002","90","","1153.75","0.06","100","2","100","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C22 H14 F10 Hg O4 Pt -","- C22 H14 F10 Hg O4 Pt -","- C44 H28 F20 Hg2 O8 Pt2 -","2","0.25","","Rozhkov, Anton V.; Tupikina, Elena Yu.; Tugashov, Kirill I.; Kukushkin, Vadim Yu.","Pure heterometallic spodium bonding","CrystEngComm","2024","26","39","5607","5616","10.1039/D4CE00825A","","x-ray","1.54184","CuKα","","0.0358","0.0348","","","0.0964","0.0981","","","","","","1.175","","","","has coordinates,has disorder","296463","2024-12-06","17:30:45",""
"7249338","9.567","0.0019","21.6","0.004","12.483","0.003","90","","107","0.03","90","","2466.9","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H25 B F2 O3 -","- C33 H25 B F2 O3 -","- C132 H100 B4 F8 O12 -","4","1","","Wang, Guangming; Chen, Yuanyuan; Chen, Xuefeng; Zha, Jinqi; Guo, Xiaoya; Zhang, Kaka","Engineering high-brightness and long-lived organic room-temperature phosphorescence <i>via</i> systematic molecular design.","Physical chemistry chemical physics : PCCP","2024","26","38","24774","24778","10.1039/d4cp02927e","","","0.6702","synchrotron","","0.0627","0.056","","","0.154","0.1593","","","","","","1.113","","","","has coordinates","296713","2024-12-06","20:51:41",""
"7249339","15.8992","0.0014","16.2547","0.0016","21.196","0.002","78.983","0.002","83.604","0.003","89.648","0.004","5342.8","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H100 Ce O60 P7 W12 -","- C42 H100 Ce O60 P7 W12 -","- C84 H200 Ce2 O120 P14 W24 -","2","1","","Li, Ying-Yu; Qiu, Qi-Ming; Fan, Si-Jie; Xu, Jian-Jie; Mou, Wen-Long; Hou, Chuan-Bing; Liu, Min; Yang, Yu-Ping; Dai, Li-Xiong; Han, Hong-Liang; Jin, Qiong-Hua","A series of rare-earth phosphine-oxygen complexes containing [PW12O40]3− with highly efficient photocatalytic degradation of MB","CrystEngComm","2024","26","40","5809","5819","10.1039/D4CE00851K","","","0.71073","MoKα","","0.2944","0.2258","","","0.4643","0.4957","","","","","","1.524","","","","has coordinates,has disorder","296485","2024-12-06","17:46:19",""
"7249340","15.9297","0.0018","16.2805","0.0019","21.296","0.002","79.204","0.002","83.313","0.003","89.273","0.004","5388.1","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H100 O60 P7 Pr W12 -","- C42 H100 O60 P7 Pr W12 -","- C84 H200 O120 P14 Pr2 W24 -","2","1","","Li, Ying-Yu; Qiu, Qi-Ming; Fan, Si-Jie; Xu, Jian-Jie; Mou, Wen-Long; Hou, Chuan-Bing; Liu, Min; Yang, Yu-Ping; Dai, Li-Xiong; Han, Hong-Liang; Jin, Qiong-Hua","A series of rare-earth phosphine-oxygen complexes containing [PW12O40]3− with highly efficient photocatalytic degradation of MB","CrystEngComm","2024","26","40","5809","5819","10.1039/D4CE00851K","","","0.71073","MoKα","","0.1495","0.08","","","0.1768","0.1989","","","","","","1.064","","","","has coordinates,has disorder","296485","2024-12-06","17:46:19",""
"7249341","15.8105","0.0016","16.1724","0.0017","21.118","0.002","79.484","0.001","83.225","0.002","89.199","0.003","5271.8","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H100 O60 P7 Sm W12 -","- C42 H100 O60 P7 Sm W12 -","- C84 H200 O120 P14 Sm2 W24 -","2","1","","Li, Ying-Yu; Qiu, Qi-Ming; Fan, Si-Jie; Xu, Jian-Jie; Mou, Wen-Long; Hou, Chuan-Bing; Liu, Min; Yang, Yu-Ping; Dai, Li-Xiong; Han, Hong-Liang; Jin, Qiong-Hua","A series of rare-earth phosphine-oxygen complexes containing [PW12O40]3− with highly efficient photocatalytic degradation of MB","CrystEngComm","2024","26","40","5809","5819","10.1039/D4CE00851K","","","0.71073","MoKα","","0.1814","0.1095","","","0.2415","0.2724","","","","","","1.035","","","","has coordinates,has disorder","296485","2024-12-06","17:46:19",""
"7249342","15.6938","0.0015","16.0627","0.0014","20.983","0.002","79.328","0.001","83.149","0.002","89.207","0.003","5160.7","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H100 Nd O60 P7 W12 -","- C42 H100 Nd O60 P7 W12 -","- C84 H200 Nd2 O120 P14 W24 -","2","1","","Li, Ying-Yu; Qiu, Qi-Ming; Fan, Si-Jie; Xu, Jian-Jie; Mou, Wen-Long; Hou, Chuan-Bing; Liu, Min; Yang, Yu-Ping; Dai, Li-Xiong; Han, Hong-Liang; Jin, Qiong-Hua","A series of rare-earth phosphine-oxygen complexes containing [PW12O40]3− with highly efficient photocatalytic degradation of MB","CrystEngComm","2024","26","40","5809","5819","10.1039/D4CE00851K","","","0.71073","MoKα","","0.1417","0.083","","","0.1705","0.195","","","","","","0.853","","","","has coordinates,has disorder","296485","2024-12-06","17:46:19",""
"7249343","15.5991","0.0005","16.9243","0.0005","21.7605","0.0005","104.628","0.002","94.579","0.002","116.295","0.003","4860.2","0.3","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C Cl Ho O P W -","- C1.82609 Ho0.0434783 O2.6087 P0.304348 W0.521739 -","- C84 Ho2 O120 P14 W24 -","46","23","","Li, Ying-Yu; Qiu, Qi-Ming; Fan, Si-Jie; Xu, Jian-Jie; Mou, Wen-Long; Hou, Chuan-Bing; Liu, Min; Yang, Yu-Ping; Dai, Li-Xiong; Han, Hong-Liang; Jin, Qiong-Hua","A series of rare-earth phosphine-oxygen complexes containing [PW12O40]3− with highly efficient photocatalytic degradation of MB","CrystEngComm","2024","26","40","5809","5819","10.1039/D4CE00851K","","x-ray","0.71073","MoKα","","0.1644","0.14","","","0.361","0.3686","","","","","","1.049","","","","has coordinates","296485","2024-12-06","17:46:19",""
"7249344","15.5908","0.0014","15.9996","0.0016","20.8558","0.0016","79.353","0.003","83.486","0.002","89.311","0.004","5079.6","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H100 Eu O60 P7 W12 -","- C42 H100 Eu O60 P7 W12 -","- C84 H200 Eu2 O120 P14 W24 -","2","1","","Li, Ying-Yu; Qiu, Qi-Ming; Fan, Si-Jie; Xu, Jian-Jie; Mou, Wen-Long; Hou, Chuan-Bing; Liu, Min; Yang, Yu-Ping; Dai, Li-Xiong; Han, Hong-Liang; Jin, Qiong-Hua","A series of rare-earth phosphine-oxygen complexes containing [PW12O40]3− with highly efficient photocatalytic degradation of MB","CrystEngComm","2024","26","40","5809","5819","10.1039/D4CE00851K","","","0.71073","MoKα","","0.297","0.1723","","","0.388","0.4453","","","","","","1.094","","","","has coordinates,has disorder","296485","2024-12-06","17:46:19",""
"7249345","15.5807","0.0003","16.94","0.0003","21.771","0.0004","104.785","0.002","94.446","0.002","116.285","0.002","4859.7","0.2","149.99","0.1","149.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C46 H104 N2 O60 P7 Tm W12 -","- C46 H104 N2 O60 P7 Tm W12 -","- C92 H208 N4 O120 P14 Tm2 W24 -","2","1","","Li, Ying-Yu; Qiu, Qi-Ming; Fan, Si-Jie; Xu, Jian-Jie; Mou, Wen-Long; Hou, Chuan-Bing; Liu, Min; Yang, Yu-Ping; Dai, Li-Xiong; Han, Hong-Liang; Jin, Qiong-Hua","A series of rare-earth phosphine-oxygen complexes containing [PW12O40]3− with highly efficient photocatalytic degradation of MB","CrystEngComm","2024","26","40","5809","5819","10.1039/D4CE00851K","","x-ray","0.71073","MoKα","","0.0696","0.058","","","0.1237","0.128","","","","","","1.103","","","","has coordinates,has disorder","296485","2024-12-06","17:46:19",""
"7249346","15.76","0.0017","16.9001","0.0018","22.29","0.002","104.23","0.004","95.08","0.003","116.55","0.005","5011.2","0.9","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H100 Er O60 P7 W12 -","- C42 H100 Er O60 P7 W12 -","- C84 H200 Er2 O120 P14 W24 -","2","1","","Li, Ying-Yu; Qiu, Qi-Ming; Fan, Si-Jie; Xu, Jian-Jie; Mou, Wen-Long; Hou, Chuan-Bing; Liu, Min; Yang, Yu-Ping; Dai, Li-Xiong; Han, Hong-Liang; Jin, Qiong-Hua","A series of rare-earth phosphine-oxygen complexes containing [PW12O40]3− with highly efficient photocatalytic degradation of MB","CrystEngComm","2024","26","40","5809","5819","10.1039/D4CE00851K","","","0.71073","MoKα","","0.234","0.1304","","","0.2903","0.345","","","","","","1.316","","","","has coordinates","296485","2024-12-06","17:46:19",""
"7249347","15.8884","0.0016","16.2671","0.0017","21.247","0.002","78.978","0.003","83.287","0.004","89.249","0.004","5353","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H100 Dy O60 P7 W12 -","- C42 H100 Dy O60 P7 W12 -","- C84 H200 Dy2 O120 P14 W24 -","2","1","","Li, Ying-Yu; Qiu, Qi-Ming; Fan, Si-Jie; Xu, Jian-Jie; Mou, Wen-Long; Hou, Chuan-Bing; Liu, Min; Yang, Yu-Ping; Dai, Li-Xiong; Han, Hong-Liang; Jin, Qiong-Hua","A series of rare-earth phosphine-oxygen complexes containing [PW12O40]3− with highly efficient photocatalytic degradation of MB","CrystEngComm","2024","26","40","5809","5819","10.1039/D4CE00851K","","","0.71073","MoKα","","0.2609","0.1466","","","0.3014","0.3322","","","","","","1.091","","","","has coordinates,has disorder","296485","2024-12-06","17:46:19",""
"7249348","15.7502","0.0018","16.181","0.0017","21.056","0.003","79.203","0.002","83.359","0.003","88.955","0.004","5235.8","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H100 O60 P7 Tb W12 -","- C42 H100 O60 P7 Tb W12 -","- C84 H200 O120 P14 Tb2 W24 -","2","1","","Li, Ying-Yu; Qiu, Qi-Ming; Fan, Si-Jie; Xu, Jian-Jie; Mou, Wen-Long; Hou, Chuan-Bing; Liu, Min; Yang, Yu-Ping; Dai, Li-Xiong; Han, Hong-Liang; Jin, Qiong-Hua","A series of rare-earth phosphine-oxygen complexes containing [PW12O40]3− with highly efficient photocatalytic degradation of MB","CrystEngComm","2024","26","40","5809","5819","10.1039/D4CE00851K","","","0.71073","MoKα","","0.1799","0.1018","","","0.2291","0.2516","","","","","","1.173","","","","has coordinates,has disorder","296485","2024-12-06","17:46:19",""
"7249349","15.902","0.0016","16.2959","0.0018","21.296","0.002","79.254","0.002","83.242","0.003","88.856","0.003","5384.1","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H100 Gd O60 P7 W12 -","- C42 H100 Gd O60 P7 W12 -","- C84 H200 Gd2 O120 P14 W24 -","2","1","","Li, Ying-Yu; Qiu, Qi-Ming; Fan, Si-Jie; Xu, Jian-Jie; Mou, Wen-Long; Hou, Chuan-Bing; Liu, Min; Yang, Yu-Ping; Dai, Li-Xiong; Han, Hong-Liang; Jin, Qiong-Hua","A series of rare-earth phosphine-oxygen complexes containing [PW12O40]3− with highly efficient photocatalytic degradation of MB","CrystEngComm","2024","26","40","5809","5819","10.1039/D4CE00851K","","","0.71073","MoKα","","0.1418","0.0795","","","0.1811","0.1994","","","","","","1.076","","","","has coordinates,has disorder","296485","2024-12-06","17:46:19",""
"7249350","12.5984","0.0006","10.5934","0.0005","13.2326","0.0006","90","","108.318","0.002","90","","1676.53","0.14","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 F N O3 -","- C21 H18 F N O3 -","- C84 H72 F4 N4 O12 -","4","1","","Zi, Jingjing; Tang, Huiling; Wang, Dongyin; Li, Meng; Zhou, Yuxiang; Lv, Sihui; Liang, Deqiang; Shi, Lou","Electrochemically enabled dearomative [2 + 2] cycloadditions of indoles with alkynes to access cyclobutene-fused indolines","Green Chemistry","2024","26","20","10397","10403","10.1039/D4GC04126G","","x-ray","1.34139","GaKα","","0.0362","0.0329","","","0.0815","0.0832","","","","","","1.03","","","","has coordinates","296611","2024-12-06","20:00:50",""
"7249351","5.3771","0.0002","5.7567","0.0002","12.4675","0.0005","90","","101.824","0.003","90","","377.73","0.02","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H9 N O2 -","- C9 H9 N O2 -","- C18 H18 N2 O4 -","2","1","","Heiner, Benjamin R.; Handy, Kaitlyn M.; Devlin, Angela M.; Soucek, Jewel L.; Pittsford, Alexander M.; Turner, David A.; Petersen, Jacob P.; Oliver, Allen G.; Corcelli, Steven A.; Kandel, S. Alex","Enantiopure molecules form apparently racemic monolayers of chiral cyclic pentamers.","Physical chemistry chemical physics : PCCP","2024","26","39","25430","25438","10.1039/d4cp02094d","","","1.54178","CuKα","","0.0464","0.0408","","","0.0968","0.1","","","","","","1.091","","","","has coordinates","296706","2024-12-06","20:49:50",""
"7249352","4.4615","0.0001","15.3156","0.0003","13.0669","0.0003","90","","97.558","0.002","90","","885.11","0.03","115","2","115","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H20 N8 O6 -","- C14 H20 N8 O6 -","- C28 H40 N16 O12 -","2","1","","Konovalova, Irina S.; Shishkina, Svitlana V.; Wyshusek, Maik; Patzer, Michael; Reiss, Guido J.","Supramolecular architecture of theophylline polymorphs, monohydrate and co-crystals with iodine: study from the energetic viewpoint","RSC Advances","2024","14","41","29774","29788","10.1039/D4RA04368E","","","0.71073","MoKα","","0.0551","0.0407","","","0.0859","0.0926","","","","","","1.009","","","","has coordinates","294793","2024-09-19","01:15:52",""
"7249353","3.8744","0.0004","12.8898","0.0009","8.1167","0.0006","90","","98.965","0.008","90","","400.4","0.06","290","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C14 H16 N8 O4 -","2","1","","Konovalova, Irina S.; Shishkina, Svitlana V.; Wyshusek, Maik; Patzer, Michael; Reiss, Guido J.","Supramolecular architecture of theophylline polymorphs, monohydrate and co-crystals with iodine: study from the energetic viewpoint","RSC Advances","2024","14","41","29774","29788","10.1039/D4RA04368E","","","0.71073","MoKα","","0.0689","0.0491","","","0.0908","0.0983","","","","","","1.033","","","","has coordinates","294793","2024-09-19","01:15:54",""
"7249354","6.0794","0.0001","16.9054","0.0003","9.2013","0.0002","90","","99.973","0.002","90","","931.37","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 I N4 O2 -","- C7 H8 I N4 O2 -","- C28 H32 I4 N16 O8 -","4","1","","Konovalova, Irina S.; Shishkina, Svitlana V.; Wyshusek, Maik; Patzer, Michael; Reiss, Guido J.","Supramolecular architecture of theophylline polymorphs, monohydrate and co-crystals with iodine: study from the energetic viewpoint","RSC Advances","2024","14","41","29774","29788","10.1039/D4RA04368E","","x-ray","0.71073","MoKα","","0.0194","0.0182","","","0.0482","0.0489","","","","","","1.069","","","","has coordinates","294793","2024-09-19","01:15:56",""
"7249355","4.1492","0.0001","19.9564","0.0005","9.7232","0.0003","90","","90","","90","","805.11","0.04","135.15","","135.15","","","","","","","","","4","P b c m","-P 2c 2b","57","","5-(4-bromophenyl)-2H-tetrazole","","- C7 H5 Br N4 -","- C3.5 H2.5 Br0.5 N2 -","- C28 H20 Br4 N16 -","8","1","","Maurya, Anand; Patel, Upendra Kumar; Kumar, Sanjeev; Agarwal, Alka","Molybdenum trioxide as a newer diversified economic catalyst for the transformation of nitroarenes to arylamine and 5-substituted-1H-tetrazole","RSC Advances","2024","14","40","29505","29517","10.1039/D4RA05443A","","","1.54184","CuKα","","0.0441","0.0393","","","0.1207","0.1254","","","","","","1.088","","","","has coordinates","294794","2024-09-19","01:16:26",""
"7249356","25.2752","0.0012","4.1184","0.0002","14.1008","0.0006","90","","90","","90","","1467.8","0.12","298","2","298","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H16 O4 S -","- C16 H16 O4 S -","- C64 H64 O16 S4 -","4","1","","Munthikkot, Shilpa; Tothadi, Srinu; Joseph, Sumy","Photoinduced irreversible transformation from elastic to bent brittle crystals: importance of the reaction pathway in the irreversibility of the molecular movement","CrystEngComm","2024","26","42","6065","6074","10.1039/D4CE00875H","","","0.71073","MoKα","","0.1224","0.0497","","","0.1262","0.1904","","","","","","1.149","","","","has coordinates","296457","2024-12-06","17:29:16",""
"7249357","13.9608","0.0013","27.9958","0.0019","14.7493","0.0011","90","","116.436","0.011","90","","5161.9","0.9","298","2","298.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H58 O53 S4 Zr6 -","- C8 H32 O40 S4 Zr6 -","- C32 H128 O160 S16 Zr24 -","4","1","","Garzón-Serrano, Andrea Y.; Lozano, Johan D.; Perez, Leon D.; Sierra, César A.; Macías, Mario A.","Zr6O8 core cluster with formula unit [Zr6O4(OH)4(OH2)8(CH3COO)4(SO4)4]·nH2O obtained under mild conditions","RSC Advances","2024","14","41","29910","29918","10.1039/D4RA03940H","","","1.54184","CuKα","","0.0632","0.0517","","","0.1315","0.1437","","","","","","1.0233","","","","has coordinates","294817","2024-09-20","01:21:44",""
"7249358","73.099","0.015","73.099","0.015","73.099","0.015","90","","90","","90","","390602","14","100","","100","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C25.5 H8.5 Fe4.25 O22.67 -","- C25.5 H8.5 Fe4.25 O22.6667 -","- C4896 H1632 Fe816 O4352 -","192","1","","De Zitter, Elke; Perl, David; Savko, Martin; Paley, Daniel W.; Thom, Alexander J.; Jeangerard, Damien; Brewster, Aaron S.; Tissot, Antoine; Serre, Christian; Shepard, William","Elucidating metal–organic framework structures using synchrotron serial crystallography","CrystEngComm","2024","26","39","5644","5654","10.1039/D4CE00735B","","x-ray","0.72932","synchrotron","","0.0861","0.0631","","","0.1888","0.2086","","","","","","1.073","","","","has coordinates","296467","2024-12-06","17:36:14",""
"7249359","16.902","","16.902","","16.902","","90","","90","","90","","4828.52","","100","","100","","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF-8","Zn(mim)2","","- C8 H10 N4 Zn -","- C8 H10 N4 Zn -","- C96 H120 N48 Zn12 -","12","0.25","","De Zitter, Elke; Perl, David; Savko, Martin; Paley, Daniel W.; Thom, Alexander J.; Jeangerard, Damien; Brewster, Aaron S.; Tissot, Antoine; Serre, Christian; Shepard, William","Elucidating metal–organic framework structures using synchrotron serial crystallography","CrystEngComm","2024","26","39","5644","5654","10.1039/D4CE00735B","","x-ray","0.73","synchrotron","","0.0994","0.0929","","","0.2456","0.2672","","","","","","1.093","","","","has coordinates,has disorder","296467","2024-12-06","17:36:15",""
"7249360","16.99","0.04","16.99","0.04","16.99","0.04","90","","90","","90","","4904","2","100","","100","","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF-8","Zn(mim)2","","- C8 H10 N4 Zn -","- C8 H10 N4 Zn -","- C96 H120 N48 Zn12 -","12","0.25","","De Zitter, Elke; Perl, David; Savko, Martin; Paley, Daniel W.; Thom, Alexander J.; Jeangerard, Damien; Brewster, Aaron S.; Tissot, Antoine; Serre, Christian; Shepard, William","Elucidating metal–organic framework structures using synchrotron serial crystallography","CrystEngComm","2024","26","39","5644","5654","10.1039/D4CE00735B","","x-ray","0.7293","synchrotron","","0.0467","0.0462","","","0.1281","0.1289","","","","","","1.114","","","","has coordinates,has disorder","296467","2024-12-06","17:36:15",""
"7249361","73.09","0.18","73.09","0.14","73.09","0.18","90","","90","","90","","390458","16","100","","100","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","MIL100(Fe)","","- C25.5 H12.5 Fe4.25 O22.67 -","- C25.5 H12.5 Fe4.25 O22.6667 -","- C4896 H2400 Fe816 O4352 -","192","1","","De Zitter, Elke; Perl, David; Savko, Martin; Paley, Daniel W.; Thom, Alexander J.; Jeangerard, Damien; Brewster, Aaron S.; Tissot, Antoine; Serre, Christian; Shepard, William","Elucidating metal–organic framework structures using synchrotron serial crystallography","CrystEngComm","2024","26","39","5644","5654","10.1039/D4CE00735B","","x-ray","0.72931","synchrotron","","0.1122","0.0952","","","0.2744","0.2997","","","","","","1.094","","","","has coordinates","296467","2024-12-06","17:36:15",""
"7249362","73.27","0.18","73.27","0.15","73.27","0.19","90","","90","","90","","393349","16","100","","100","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","MIL100(Fe)","","- C25.5 H8.5 Fe4.25 O22.67 -","- C25.5 H8.5 Fe4.25 O22.6667 -","- C4896 H1632 Fe816 O4352 -","192","1","","De Zitter, Elke; Perl, David; Savko, Martin; Paley, Daniel W.; Thom, Alexander J.; Jeangerard, Damien; Brewster, Aaron S.; Tissot, Antoine; Serre, Christian; Shepard, William","Elucidating metal–organic framework structures using synchrotron serial crystallography","CrystEngComm","2024","26","39","5644","5654","10.1039/D4CE00735B","","x-ray","0.72931","synchrotron","","0.194","0.1381","","","0.3477","0.4214","","","","","","1.018","","","","has coordinates","296467","2024-12-06","17:36:15",""
"7249363","73.2","0.6","73.2","0.6","73.2","0.6","90","","90","","90","","392223","6","100","","100","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","MIL100(Fe)","","- C25.5 H8.5 Fe4.25 O22.67 -","- C25.5 H8.5 Fe4.25 O22.6667 -","- C4896 H1632 Fe816 O4352 -","192","1","","De Zitter, Elke; Perl, David; Savko, Martin; Paley, Daniel W.; Thom, Alexander J.; Jeangerard, Damien; Brewster, Aaron S.; Tissot, Antoine; Serre, Christian; Shepard, William","Elucidating metal–organic framework structures using synchrotron serial crystallography","CrystEngComm","2024","26","39","5644","5654","10.1039/D4CE00735B","","x-ray","0.729","synchrotron","","0.1144","0.0696","","","0.1686","0.2","","","","","","0.889","","","","has coordinates","296467","2024-12-06","17:36:15",""
"7249364","72.89","0.16","72.89","0.16","72.89","0.16","90","","90","","90","","387261","15","100","","100","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","MIL100(Fe)","","- C25.5 H8.5 Fe4.25 O22.67 -","- C25.5 H8.5 Fe4.25 O22.6667 -","- C4896 H1632 Fe816 O4352 -","192","1","","De Zitter, Elke; Perl, David; Savko, Martin; Paley, Daniel W.; Thom, Alexander J.; Jeangerard, Damien; Brewster, Aaron S.; Tissot, Antoine; Serre, Christian; Shepard, William","Elucidating metal–organic framework structures using synchrotron serial crystallography","CrystEngComm","2024","26","39","5644","5654","10.1039/D4CE00735B","","x-ray","0.826","synchrotron","","0.0662","0.0552","","","0.1651","0.1753","","","","","","1.059","","","","has coordinates","296467","2024-12-06","17:36:15",""
"7249365","16.924","0.002","24.938","0.004","17.141","0.004","90","","119.327","0.004","90","","6307","2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C41 H33 Br2 Co3 N3 O13 -","- C41 H33 Br2 Co3 N3 O13 -","- C164 H132 Br8 Co12 N12 O52 -","4","1","","Xu, Li-Mei; Wang, Qian; Zhang, Lin; Shen, Jin-Qiu; Chen, Xiao-Lu; Zhang, Jian-Yong; Liu, Zhen-Jiang","Controllable assembly over two CoII-based coordination polymers: structures and catalytic properties towards the alkene oxyalkylation reaction","CrystEngComm","2024","26","43","6134","6142","10.1039/D4CE00857J","","x-ray","0.71073","MoKα","","0.0803","0.0491","","","0.1137","0.1249","","","","","","0.974","","","","has coordinates,has disorder","296456","2024-12-06","17:29:03",""
"7249366","15.187","0.0006","14.6764","0.0006","23.0468","0.0009","90","","90","","90","","5136.9","0.4","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C32 H64 Br Co N3 O24 -","- C32 H24 Br Co N3 O4 -","- C128 H96 Br4 Co4 N12 O16 -","4","0.5","","Xu, Li-Mei; Wang, Qian; Zhang, Lin; Shen, Jin-Qiu; Chen, Xiao-Lu; Zhang, Jian-Yong; Liu, Zhen-Jiang","Controllable assembly over two CoII-based coordination polymers: structures and catalytic properties towards the alkene oxyalkylation reaction","CrystEngComm","2024","26","43","6134","6142","10.1039/D4CE00857J","","x-ray","1.54184","CuKα","","0.078","0.061","","","0.1758","0.1876","","","","","","1.115","","","","has coordinates","296456","2024-12-06","17:29:03",""
"7249367","36.492","0.003","12.6245","0.001","20.7562","0.0016","90","","101.443","0.003","90","","9372.2","1.3","298","2","298.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H28 Cl Eu2 N4 O23 -","- C40 H28 Cl Eu2 N4 O23 -","- C320 H224 Cl8 Eu16 N32 O184 -","8","1","","Cui, Wen-Bo; Huang, Li; Shen, Yuan; Yu, Xiao-Yang; Li, Zi-Yi; Zhang, Hong","Viologen-based Ln-MOF material with photochromicity and photoluminescence for anticounterfeiting","CrystEngComm","2024","26","41","5877","5882","10.1039/D4CE00652F","","","0.71073","MoKα","","0.0529","0.0449","","","0.1295","0.1353","","","","","","1.073","","","","has coordinates","296449","2024-12-06","17:26:55",""
"7249368","36.461","0.003","12.5228","0.0009","20.6904","0.0014","90","","101.468","0.003","90","","9258.5","1.2","293","2","298.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H30 Cl N4 O24 Tb2 -","- C40 H30 Cl N4 O24 Tb2 -","- C320 H240 Cl8 N32 O192 Tb16 -","8","1","","Cui, Wen-Bo; Huang, Li; Shen, Yuan; Yu, Xiao-Yang; Li, Zi-Yi; Zhang, Hong","Viologen-based Ln-MOF material with photochromicity and photoluminescence for anticounterfeiting","CrystEngComm","2024","26","41","5877","5882","10.1039/D4CE00652F","","","0.71073","MoKα","","0.0795","0.0584","","","0.149","0.1613","","","","","","1.048","","","","has coordinates","296449","2024-12-06","17:26:55",""
"7249369","9.8359","0.0002","13.2198","0.0003","15.2566","0.0002","85.451","0.001","82.673","0.001","69.423","0.002","1840.79","0.07","100","0.13","100","0.13","","","","","","","","4","P -1","-P 1","2","","","","- C46 H50 N2 O2 -","- C46 H50 N2 O2 -","- C92 H100 N4 O4 -","2","1","","Dangar, Shilpa; Roy, Tiyasa; Noskar, Suman; Bisai, Alakesh","Total synthesis of bicyclomahanimbine by Cu(ii)-promoted photoredox process.","RSC advances","2024","14","41","30110","30115","10.1039/d4ra05863a","","x-ray","1.54184","CuKα","","0.048","0.0415","","","0.1112","0.1164","","","","","","1.057","","","","has coordinates","294877","2024-09-25","01:19:47",""
"7249370","10.8951","0.0006","12.6583","0.0007","12.8328","0.0007","87.684","0.002","77.714","0.002","72.944","0.002","1652.77","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Cl2 N6 Ni O9 -","- C28 H28 Cl2 N6 Ni O9 -","- C56 H56 Cl4 N12 Ni2 O18 -","2","1","","Rajeev, Anjana; Muthuramalingam, Sethuraman; Sankaralingam, Muniyandi","Selective synthesis of cyclic alcohols from cycloalkanes using nickel(ii) complexes of tetradentate amidate ligands","RSC Advances","2024","14","41","30440","30451","10.1039/D4RA05222F","","","0.71073","MoKα","","0.0763","0.0708","","","0.2171","0.2247","","","","","","0.915","","","","has coordinates,has disorder","294878","2024-09-25","01:20:12",""
"7249371","17.786","0.003","7.4291","0.0013","21.345","0.004","90","","101.411","0.005","90","","2764.6","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 Cl2 N5 Ni O10 -","- C23 H27 Cl2 N5 Ni O10 -","- C92 H108 Cl8 N20 Ni4 O40 -","4","1","","Rajeev, Anjana; Muthuramalingam, Sethuraman; Sankaralingam, Muniyandi","Selective synthesis of cyclic alcohols from cycloalkanes using nickel(ii) complexes of tetradentate amidate ligands","RSC Advances","2024","14","41","30440","30451","10.1039/D4RA05222F","","","0.71073","MoKα","","0.0633","0.0429","","","0.0942","0.1045","","","","","","1.034","","","","has coordinates,has disorder","294878","2024-09-25","01:20:13",""
"7249372","20.1367","0.0018","11.0593","0.0011","21.1107","0.0018","90","","127.242","0.002","90","","3742.6","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 N O6 Zn -","- C21 H14 N O6 Zn -","- C168 H112 N8 O48 Zn8 -","8","1","","Chen, Jiali; Fu, Yuying; Liu, Qiaoyun; Shen, Shoujie; Liu, Jinjian","Design and synthesis of two functional coordination polymers based on the 1,1′-bis(3-carboxybenzyl)-4,4′-bipyridinium ligand","CrystEngComm","2024","26","39","5518","5524","10.1039/D4CE00732H","","","0.71073","MoKα","","0.1225","0.0577","","","0.1096","0.132","","","","","","1.08","","","","has coordinates","296464","2024-12-06","17:30:57",""
"7249373","10.9146","0.0004","10.098","0.0003","15.0368","0.0004","90","","99.246","0.003","90","","1635.76","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 N O7 Zn -","- C18 H13 N O7 Zn -","- C72 H52 N4 O28 Zn4 -","4","1","","Chen, Jiali; Fu, Yuying; Liu, Qiaoyun; Shen, Shoujie; Liu, Jinjian","Design and synthesis of two functional coordination polymers based on the 1,1′-bis(3-carboxybenzyl)-4,4′-bipyridinium ligand","CrystEngComm","2024","26","39","5518","5524","10.1039/D4CE00732H","","x-ray","0.71073","MoKα","","0.0899","0.0481","","","0.1009","0.1195","","","","","","1.022","","","","has coordinates,has disorder","296464","2024-12-06","17:30:57",""
"7249374","7.4824","0.0003","8.4218","0.0004","11.4038","0.0006","80.323","0.002","73.083","0.002","67.581","0.002","634.23","0.05","253","","253","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H14 Co N2 O9 -","- C9 H14 Co N2 O9 -","- C18 H28 Co2 N4 O18 -","2","1","","Tian, Zhengfang; Yang, Shun-Yi; Zhu, Junlun; Ruan, Zhijun; Shao, Dong","Topological and magnetic regulation in three cobalt(ii) coordination polymers constructed using a mixed bipyrimidine–tetracarboxylate strategy","CrystEngComm","2024","26","41","5933","5940","10.1039/D4CE00902A","","","0.71073","MoKα","","0.0369","0.0361","","","0.1063","0.1069","","","","","","1.09","","","","has coordinates","296452","2024-12-06","17:27:31",""
"7249375","8.5279","0.0008","9.8241","0.0009","11.5691","0.0008","110.011","0.003","94.217","0.003","107.725","0.003","850.22","0.13","190","","190","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H9 Co N4 O8 -","- C18 H9 Co N4 O8 -","- C36 H18 Co2 N8 O16 -","2","1","","Tian, Zhengfang; Yang, Shun-Yi; Zhu, Junlun; Ruan, Zhijun; Shao, Dong","Topological and magnetic regulation in three cobalt(ii) coordination polymers constructed using a mixed bipyrimidine–tetracarboxylate strategy","CrystEngComm","2024","26","41","5933","5940","10.1039/D4CE00902A","","","0.71073","MoKα","","0.0554","0.0404","","","0.0884","0.0973","","","","","","1.082","","","","has coordinates","296452","2024-12-06","17:27:31",""
"7249376","12.0964","0.0005","15.9359","0.0006","7.9797","0.0002","90","","100.67","0.001","90","","1511.63","0.09","250","","250","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 Co N3 O8 -","- C12 H17 Co N3 O8 -","- C48 H68 Co4 N12 O32 -","4","1","","Tian, Zhengfang; Yang, Shun-Yi; Zhu, Junlun; Ruan, Zhijun; Shao, Dong","Topological and magnetic regulation in three cobalt(ii) coordination polymers constructed using a mixed bipyrimidine–tetracarboxylate strategy","CrystEngComm","2024","26","41","5933","5940","10.1039/D4CE00902A","","","0.71073","MoKα","","0.0607","0.0452","","","0.1201","0.13","","","","","","1.044","","","","has coordinates","296452","2024-12-06","17:27:31",""
"7249377","4.9049","0.0002","7.0364","0.0002","24.1144","0.0008","90","","90","","90","","832.26","0.05","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","NIPht","N-iodophtalimide","","- C8 H4 I N O2 -","- C8 H4 I N O2 -","- C32 H16 I4 N4 O8 -","4","1","","Jeon, Ie-Rang; Jeannin, Olivier; Robert, Antoine; Barrière, Frédéric; Fourmigué, Marc","N-Iodophthalimide as a halogen bond donor, a comparison with N-iodosuccinimide and N-iodosaccharin","CrystEngComm","2024","26","42","6075","6081","10.1039/D4CE00654B","","x-ray","0.71073","MoKα","","0.0297","0.0271","","","0.0559","0.0572","","","","","","1.069","","","","has coordinates","296459","2024-12-06","17:29:47",""
"7249378","4.8622","0.0003","33.38","0.003","8.0329","0.0005","90","","104.989","0.003","90","","1259.38","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","alpha-(NIPht)2(p-bipy)","Bis(N(iodophtalimide)(4,4'-bipyridine), alpha phase","","- C26 H16 I2 N4 O4 -","- C26 H16 I2 N4 O4 -","- C52 H32 I4 N8 O8 -","2","0.5","","Jeon, Ie-Rang; Jeannin, Olivier; Robert, Antoine; Barrière, Frédéric; Fourmigué, Marc","N-Iodophthalimide as a halogen bond donor, a comparison with N-iodosuccinimide and N-iodosaccharin","CrystEngComm","2024","26","42","6075","6081","10.1039/D4CE00654B","","x-ray","0.71073","MoKα","","0.0669","0.0447","","","0.0777","0.0838","","","","","","1.043","","","","has coordinates","296459","2024-12-06","17:29:48",""
"7249379","9.2802","0.0009","11.898","0.0011","13.5467","0.0011","90","","100.135","0.003","90","","1472.4","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(NIPht)(DMAP)","(N-iodophtalimide)(4-dimethylaminopyridine)","","- C15 H14 I N3 O2 -","- C15 H14 I N3 O2 -","- C60 H56 I4 N12 O8 -","4","1","","Jeon, Ie-Rang; Jeannin, Olivier; Robert, Antoine; Barrière, Frédéric; Fourmigué, Marc","N-Iodophthalimide as a halogen bond donor, a comparison with N-iodosuccinimide and N-iodosaccharin","CrystEngComm","2024","26","42","6075","6081","10.1039/D4CE00654B","","x-ray","0.71073","MoKα","","0.0182","0.016","","","0.0381","0.0399","","","","","","1.115","","","","has coordinates","296459","2024-12-06","17:29:48",""
"7249380","9.921","0.0019","11.407","0.003","16.152","0.003","102.724","0.008","99.561","0.007","114.396","0.007","1554.3","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","[Potassium(18-crown-6)][iodonium bis(phtamlimidate)]","","- C28 H32 I K N2 O10 -","- C28 H32 I K N2 O10 -","- C56 H64 I2 K2 N4 O20 -","2","1","","Jeon, Ie-Rang; Jeannin, Olivier; Robert, Antoine; Barrière, Frédéric; Fourmigué, Marc","N-Iodophthalimide as a halogen bond donor, a comparison with N-iodosuccinimide and N-iodosaccharin","CrystEngComm","2024","26","42","6075","6081","10.1039/D4CE00654B","","x-ray","0.71073","MoKα","","0.0566","0.0389","","","0.0855","0.0954","","","","","","1.042","","","","has coordinates,has disorder","296459","2024-12-06","17:29:48",""
"7249381","8.0405","0.0006","12.0158","0.0008","17.3956","0.0012","94.17","0.002","102.71","0.002","105.874","0.002","1561.04","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bis(N-iodosaccharin)(2,2'-bipyridine)","","- C24 H16 I2 N4 O6 S2 -","- C24 H16 I2 N4 O6 S2 -","- C48 H32 I4 N8 O12 S4 -","2","1","","Jeon, Ie-Rang; Jeannin, Olivier; Robert, Antoine; Barrière, Frédéric; Fourmigué, Marc","N-Iodophthalimide as a halogen bond donor, a comparison with N-iodosuccinimide and N-iodosaccharin","CrystEngComm","2024","26","42","6075","6081","10.1039/D4CE00654B","","x-ray","0.71073","MoKα","","0.0725","0.0423","","","0.0946","0.1054","","","","","","1.021","","","","has coordinates","296459","2024-12-06","17:29:48",""
"7249382","7.5392","0.0008","9.431","0.001","17.2253","0.0018","90","","97.896","0.003","90","","1213.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","beta-(NIPht)2(p-bipy)","Bis(N(iodophtalimide)(4,4'-bipyridine), beta phase","","- C26 H16 I2 N4 O4 -","- C26 H16 I2 N4 O4 -","- C52 H32 I4 N8 O8 -","2","0.5","","Jeon, Ie-Rang; Jeannin, Olivier; Robert, Antoine; Barrière, Frédéric; Fourmigué, Marc","N-Iodophthalimide as a halogen bond donor, a comparison with N-iodosuccinimide and N-iodosaccharin","CrystEngComm","2024","26","42","6075","6081","10.1039/D4CE00654B","","x-ray","0.71073","MoKα","","0.0563","0.0374","","","0.0726","0.0788","","","","","","1.188","","","","has coordinates","296459","2024-12-06","17:29:48",""
"7249383","25.6531","0.0016","14.227","0.0008","4.1646","0.0003","90","","90","","90","","1519.94","0.17","296","2","296","2","","","","","","","","6","P b a 2","P 2 -2ab","32","(NIPht)2(o-Me2bipy),(CH2Cl2)","Bis(N-iodophalimide)(5,5?-dimethyl-2,2?-bipyridine), (dichloromethane)","","- C29 H22 Cl2 I2 N4 O4 -","- C29 H22 Cl2 I2 N4 O4 -","- C58 H44 Cl4 I4 N8 O8 -","2","0.5","","Jeon, Ie-Rang; Jeannin, Olivier; Robert, Antoine; Barrière, Frédéric; Fourmigué, Marc","N-Iodophthalimide as a halogen bond donor, a comparison with N-iodosuccinimide and N-iodosaccharin","CrystEngComm","2024","26","42","6075","6081","10.1039/D4CE00654B","","x-ray","0.71073","MoKα","","0.0618","0.04","","","0.0759","0.0818","","","","","","1.061","","","","has coordinates","296459","2024-12-06","17:29:48",""
"7249384","21.488","0.002","10.0888","0.0008","9.4428","0.0009","90","","90.324","0.003","90","","2047.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(NISucc)2(o-bipy)","Bis(N-iodosuccinimide)(2,2'-bipyridine)","","- C18 H16 I2 N4 O4 -","- C18 H16 I2 N4 O4 -","- C72 H64 I8 N16 O16 -","4","1","","Jeon, Ie-Rang; Jeannin, Olivier; Robert, Antoine; Barrière, Frédéric; Fourmigué, Marc","N-Iodophthalimide as a halogen bond donor, a comparison with N-iodosuccinimide and N-iodosaccharin","CrystEngComm","2024","26","42","6075","6081","10.1039/D4CE00654B","","x-ray","0.71073","MoKα","","0.0213","0.0206","","","0.0444","0.0447","","","","","","1.197","","","","has coordinates","296459","2024-12-06","17:29:48",""
"7249385","8.4092","0.0008","16.8459","0.0018","15.5232","0.0016","90","","94.164","0.004","90","","2193.2","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(NISucc)2(o-Me2bipy)","Bis(N-iodosuccinimide)(5,5?-dimethyl-2,2?-bipyridine)","","- C20 H20 I2 N4 O4 -","- C20 H20 I2 N4 O4 -","- C80 H80 I8 N16 O16 -","4","1","","Jeon, Ie-Rang; Jeannin, Olivier; Robert, Antoine; Barrière, Frédéric; Fourmigué, Marc","N-Iodophthalimide as a halogen bond donor, a comparison with N-iodosuccinimide and N-iodosaccharin","CrystEngComm","2024","26","42","6075","6081","10.1039/D4CE00654B","","x-ray","0.71073","MoKα","","0.0183","0.0173","","","0.0428","0.0439","","","","","","0.72","","","","has coordinates","296459","2024-12-06","17:29:48",""
"7249386","8.6873","0.0009","9.2187","0.001","16.9914","0.0016","90","","105.954","0.003","90","","1308.4","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(NISacc)2(p-bipy)","bis(N-iodosaccharin)(4,4'-bipyridine)","","- C24 H16 I2 N4 O6 S2 -","- C24 H16 I2 N4 O6 S2 -","- C48 H32 I4 N8 O12 S4 -","2","0.5","","Jeon, Ie-Rang; Jeannin, Olivier; Robert, Antoine; Barrière, Frédéric; Fourmigué, Marc","N-Iodophthalimide as a halogen bond donor, a comparison with N-iodosuccinimide and N-iodosaccharin","CrystEngComm","2024","26","42","6075","6081","10.1039/D4CE00654B","","x-ray","0.71073","MoKα","","0.0474","0.0324","","","0.0732","0.0828","","","","","","0.907","","","","has coordinates","296459","2024-12-06","17:29:48",""
"7249387","17.078","0.002","9.7734","0.0014","7.2286","0.0011","90","","102.954","0.005","90","","1175.8","0.3","273.15","","273.15","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C11 H11 N Ni O6 -","- C11 H11 N Ni O6 -","- C44 H44 N4 Ni4 O24 -","4","0.5","","Wu, Si-Tong; Ruan, Zhijun; Tian, Zhengfang; Shi, Le; Yang, Jiong; Shao, Dong","Construction, structures, and magnetic studies of two cobalt(ii) and nickel(ii) coordination polymers displaying bex topology","CrystEngComm","2024","26","41","5850","5858","10.1039/D4CE00935E","","","0.71073","MoKα","","0.0565","0.0555","","","0.1397","0.1404","","","","","","1.066","","","","has coordinates,has disorder","296450","2024-12-06","17:27:05",""
"7249388","7.2564","0.0008","9.876","0.0015","16.8793","0.0019","90","","100.663","0.005","90","","1188.8","0.3","273.15","","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 Co N O6 -","- C11 H11 Co N O6 -","- C44 H44 Co4 N4 O24 -","4","1","","Wu, Si-Tong; Ruan, Zhijun; Tian, Zhengfang; Shi, Le; Yang, Jiong; Shao, Dong","Construction, structures, and magnetic studies of two cobalt(ii) and nickel(ii) coordination polymers displaying bex topology","CrystEngComm","2024","26","41","5850","5858","10.1039/D4CE00935E","","","0.71073","MoKα","","0.0345","0.0282","","","0.0684","0.0718","","","","","","1.04","","","","has coordinates","296450","2024-12-06","17:27:05",""
"7249389","21.631","0.0004","5.52013","0.0001","30.7878","0.0006","90","","90.895","0.006","90","","3675.8","0.12","93","","93","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H24 N2 O -","- C23 H24 N2 O -","- C184 H192 N16 O8 -","8","1","","Itoh, Kennosuke; Nakahara, Hiroki; Takashino, Atsushi; Hara, Aya; Katsuno, Akiho; Abe, Yuriko; Mizuguchi, Takaaki; Karaki, Fumika; Hirayama, Shigeto; Nagai, Kenichiro; Seki, Reiko; Sato, Noriko; Okuyama, Kazuki; Hashimoto, Masashi; Tokunaga, Ken; Ishida, Hitoshi; Mikami, Fusako; Kwofie, Kofi Dadzie; Kawada, Hayato; Lin, Bangzhong; NUNOMURA, Kazuto; Kanai, Toshio; Hatta, Takeshi; Tsuji, Naotoshi; Haruta, Junichi; Fujii, Hideaki","Anti-Schistosomal Activity and ADMET Properties of 1,2,5-Oxadiazinane-Containing Compound Synthesized by Visible-Light Photoredox Catalysis","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00599F","","","1.54187","CuKα","","0.0426","0.0382","","","0.0934","0.0958","","","","","","1.078","","","","has coordinates","294911","2024-09-27","00:10:28",""
"7249390","15.4613","0.0003","7.7422","0.0002","20.6904","0.0004","90","","102.765","0.002","90","","2415.52","0.09","278","1","278.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C112 H120 N8 O16 -","8","1","","Figueroa, Laura P. R.; Carvalho, Renato; Almeida, Renata G.; Paz, Esther R. S.; Diogo, Emilay; Araujo, Maria Helena; de souza Borges, Warley; dos Santos Ramos, Victor Feliciano; Menna-Barreto, Rubem F. S.; Wood, James M.; Bower, John; da Silva Júnior, Eufrânio N.","Generation and Capture of Naphthoquinonynes: A New Frontier in the Development of Trypanocidal Quinones via Aryne Chemistry","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00558A","","","1.54184","CuKα","","0.0471","0.038","","","0.1053","0.1126","","","","","","1.045","","","","has coordinates","294912","2024-09-27","00:10:54",""
"7249391","35.2203","0.0012","20.9152","0.0007","9.2515","0.0003","90","","90","","90","","6815","0.4","271","4","271.15","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C22 H15 N O2 -","- C22 H15 N O2 -","- C352 H240 N16 O32 -","16","1","","Figueroa, Laura P. R.; Carvalho, Renato; Almeida, Renata G.; Paz, Esther R. S.; Diogo, Emilay; Araujo, Maria Helena; de souza Borges, Warley; dos Santos Ramos, Victor Feliciano; Menna-Barreto, Rubem F. S.; Wood, James M.; Bower, John; da Silva Júnior, Eufrânio N.","Generation and Capture of Naphthoquinonynes: A New Frontier in the Development of Trypanocidal Quinones via Aryne Chemistry","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00558A","","","1.54184","CuKα","","0.0441","0.0343","","","0.0876","0.1004","","","","","","1.132","","","","has coordinates","294912","2024-09-27","00:10:55",""
"7249392","8.1231","0.0001","9.1098","0.0002","19.3288","0.0003","90","","94.209","0.002","90","","1426.47","0.04","266.5","0.3","266.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C64 H76 N4 O8 -","4","1","","Figueroa, Laura P. R.; Carvalho, Renato; Almeida, Renata G.; Paz, Esther R. S.; Diogo, Emilay; Araujo, Maria Helena; de souza Borges, Warley; dos Santos Ramos, Victor Feliciano; Menna-Barreto, Rubem F. S.; Wood, James M.; Bower, John; da Silva Júnior, Eufrânio N.","Generation and Capture of Naphthoquinonynes: A New Frontier in the Development of Trypanocidal Quinones via Aryne Chemistry","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00558A","","","1.54184","CuKα","","0.052","0.0442","","","0.1274","0.133","","","","","","1.113","","","","has coordinates","294912","2024-09-27","00:10:55",""
"7249393","14.9362","0.0003","14.9362","0.0003","8.0716","0.0003","90","","90","","120","","1559.45","0.07","100","","100","","","","","","","","","5","P -3","-P 3","147","","","","- C33 H31 B N9 Na -","- C33 H31 B N9 Na -","- C66 H62 B2 N18 Na2 -","2","0.333333","","Thomas, Jarrod R.; Mifsud, Jonathan T.; Sulway, Scott A.","Optimised syntheses and purifications of 3-aryl/heterocyclic dihydrobis- and hydrotris-(pyrazolyl)borate ligands as their alkali salts","RSC Advances","2024","14","42","30713","30718","10.1039/D4RA05723F","","","0.71073","MoKα","","0.0603","0.0439","","","0.0983","0.1156","","","","","","1.099","","","","has coordinates,has disorder","294917","2024-09-27","01:26:49",""
"7249394","17.1463","0.0005","17.1463","0.0005","17.0555","0.0007","90","","90","","120","","4342.5","0.3","100","","100","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C27 H25 B N9 Na S3 -","- C27 H25 B N9 Na S3 -","- C162 H150 B6 N54 Na6 S18 -","6","0.333333","","Thomas, Jarrod R.; Mifsud, Jonathan T.; Sulway, Scott A.","Optimised syntheses and purifications of 3-aryl/heterocyclic dihydrobis- and hydrotris-(pyrazolyl)borate ligands as their alkali salts","RSC Advances","2024","14","42","30713","30718","10.1039/D4RA05723F","","","0.71073","MoKα","","0.0399","0.0343","","","0.0782","0.0852","","","","","","1.18","","","","has coordinates","294917","2024-09-27","01:26:51",""
"7249395","11.7918","0.0006","23.2058","0.0013","5.2271","0.0003","90","","90","","90","","1430.33","0.14","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H12 B K N4 O2 -","- C14 H12 B K N4 O2 -","- C56 H48 B4 K4 N16 O8 -","4","0.5","","Thomas, Jarrod R.; Mifsud, Jonathan T.; Sulway, Scott A.","Optimised syntheses and purifications of 3-aryl/heterocyclic dihydrobis- and hydrotris-(pyrazolyl)borate ligands as their alkali salts","RSC Advances","2024","14","42","30713","30718","10.1039/D4RA05723F","","","0.71073","MoKα","","0.0349","0.0313","","","0.0747","0.0786","","","","","","1.109","","","","has coordinates","294917","2024-09-27","01:26:52",""
"7249396","17.4388","0.0008","17.4388","0.0008","16.8446","0.0007","90","","90","","120","","4436.3","0.3","100","","100","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C27 H25 B K N9 S3 -","- C27 H25 B K N9 S3 -","- C162 H150 B6 K6 N54 S18 -","6","0.333333","","Thomas, Jarrod R.; Mifsud, Jonathan T.; Sulway, Scott A.","Optimised syntheses and purifications of 3-aryl/heterocyclic dihydrobis- and hydrotris-(pyrazolyl)borate ligands as their alkali salts","RSC Advances","2024","14","42","30713","30718","10.1039/D4RA05723F","","","0.71073","MoKα","","0.0605","0.0452","","","0.0962","0.1122","","","","","","1.267","","","","has coordinates","294917","2024-09-27","01:27:01",""
"7249397","15.7237","0.001","10.8738","0.0007","20.0182","0.0011","90","","111.251","0.002","90","","3189.9","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 B2 N12 Na2 -","- C32 H28 B2 N12 Na2 -","- C128 H112 B8 N48 Na8 -","4","0.5","","Thomas, Jarrod R.; Mifsud, Jonathan T.; Sulway, Scott A.","Optimised syntheses and purifications of 3-aryl/heterocyclic dihydrobis- and hydrotris-(pyrazolyl)borate ligands as their alkali salts","RSC Advances","2024","14","42","30713","30718","10.1039/D4RA05723F","","","0.71073","MoKα","","0.0767","0.0571","","","0.1335","0.1616","","","","","","1.126","","","","has coordinates","294917","2024-09-27","01:27:03",""
"7249398","10.5827","0.0005","21.2856","0.0011","14.616","0.0006","90","","104.567","0.002","90","","3186.6","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 B2 Li2 N12 -","- C32 H28 B2 Li2 N12 -","- C128 H112 B8 Li8 N48 -","4","0.5","","Thomas, Jarrod R.; Mifsud, Jonathan T.; Sulway, Scott A.","Optimised syntheses and purifications of 3-aryl/heterocyclic dihydrobis- and hydrotris-(pyrazolyl)borate ligands as their alkali salts","RSC Advances","2024","14","42","30713","30718","10.1039/D4RA05723F","","","0.71073","MoKα","","0.087","0.061","","","0.1429","0.1817","","","","","","1.157","","","","has coordinates,has disorder","294917","2024-09-27","01:27:03",""
"7249399","9.851","0.005","10.127","0.005","16.933","0.005","90","0.005","90","0.005","90","0.005","1689.3","1.3","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H18 N2 -","- C23 H18 N2 -","- C92 H72 N8 -","4","1","","Zhang, Hong; Jiang, Yunhe; Sun, Xiaoxue; Liang, Tianyu; Wang, Xiang; Li, Yang","A new synthesis of indolo[2,3-b]quinolines from 3-acetyl-N-alkyl-2-chloroindoles with 2-aminobenzophenone","RSC Advances","2024","14","42","30707","30712","10.1039/D4RA05176A","","","0.71069","MoKα","","0.0849","0.0663","","","0.1769","0.1923","","","","","","1.08","","","","has coordinates","294919","2024-09-27","01:27:47",""
"7249400","8.5868","0.0004","13.6623","0.0006","31.998","0.0016","90","","90","","90","","3753.9","0.3","296","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H19 Cl N2 -","- C24 H19 Cl N2 -","- C192 H152 Cl8 N16 -","8","1","","Zhang, Hong; Jiang, Yunhe; Sun, Xiaoxue; Liang, Tianyu; Wang, Xiang; Li, Yang","A new synthesis of indolo[2,3-b]quinolines from 3-acetyl-N-alkyl-2-chloroindoles with 2-aminobenzophenone","RSC Advances","2024","14","42","30707","30712","10.1039/D4RA05176A","","","0.71073","MoKα","","0.0963","0.0612","","","0.1475","0.165","","","","","","1.087","","","","has coordinates","294919","2024-09-27","01:27:49",""
"7249401","24.4222","0.0005","22.5632","0.0006","13.7569","0.0002","90","","90","","90","","7580.6","0.3","297","","297","","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C62 H36 Cl4 Dy2 F18 N6 O12 S6 -","- C62 H36 Cl4 Dy2 F18 N6 O12 S6 -","- C248 H144 Cl16 Dy8 F72 N24 O48 S24 -","4","0.5","","Chen, Ji-Tun; Guo, Rui; Zhang, Yi-Quan; Sun, Wen-Bin","Dinuclear lanthanide molecular magnetic materials bridged by tetrazine derivatives containing N6 and N8 atom sites display slow magnetic relaxation behavior","CrystEngComm","2024","26","43","6184","6193","10.1039/D4CE00748D","","x-ray","0.71073","MoKα","","0.0733","0.0384","","","0.074","0.0893","","","","","","1.078","","","","has coordinates,has disorder","296454","2024-12-06","17:28:25",""
"7249402","12.3888","0.0011","13.792","0.001","18.7166","0.0014","88.227","0.006","86.765","0.006","74.619","0.007","3078.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H18 Dy2 F36 N8 O14 -","- C40 H18 Dy2 F36 N8 O14 -","- C80 H36 Dy4 F72 N16 O28 -","2","1","","Chen, Ji-Tun; Guo, Rui; Zhang, Yi-Quan; Sun, Wen-Bin","Dinuclear lanthanide molecular magnetic materials bridged by tetrazine derivatives containing N6 and N8 atom sites display slow magnetic relaxation behavior","CrystEngComm","2024","26","43","6184","6193","10.1039/D4CE00748D","","","1.54184","CuKα","","0.1514","0.0727","","","0.1243","0.168","","","","","","0.985","","","","has coordinates,has disorder","296454","2024-12-06","17:28:28",""
"7249403","32.874","0.003","10.4191","0.0012","19.9901","0.0016","90","","97.144","0.009","90","","6793.8","1.1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H15 Dy F9 N4 O6 S3 -","- C29 H15 Dy F9 N4 O6 S3 -","- C232 H120 Dy8 F72 N32 O48 S24 -","8","1","","Chen, Ji-Tun; Guo, Rui; Zhang, Yi-Quan; Sun, Wen-Bin","Dinuclear lanthanide molecular magnetic materials bridged by tetrazine derivatives containing N6 and N8 atom sites display slow magnetic relaxation behavior","CrystEngComm","2024","26","43","6184","6193","10.1039/D4CE00748D","","x-ray","1.54184","CuKα","","0.232","0.0964","","","0.2005","0.2719","","","","","","0.987","","","","has coordinates,has disorder","296454","2024-12-06","17:28:32",""
"7249404","19.806","0.008","4.4215","0.0009","16.055","0.003","90","","113.91","0.02","90","","1285.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F2 N O3 -","- C14 H9 F2 N O3 -","- C56 H36 F8 N4 O12 -","4","1","","Khorasani, Fereshteh; Ranjbar-Karimi, Reza; Mohammadiannejad, Kazem","Utilizing perhalopyridine-based alkynes as suitable precursors for the synthesis of novel poly(1,2,3-triazolyl)-substituted perhalopyridines","RSC Advances","2024","14","42","30873","30885","10.1039/D4RA05861E","","","0.71073","MoKα","","0.1076","0.0786","","","0.1597","0.1736","","","","","","1.168","","","","has coordinates","294938","2024-09-29","00:59:06",""
"7249405","13.02","0.003","9.949","0.004","27.886","0.006","90","","93.46","0.03","90","","3605.7","1.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H9 Br Cl4 N4 O -","- C15 H9 Br Cl4 N4 O -","- C120 H72 Br8 Cl32 N32 O8 -","8","1","","Khorasani, Fereshteh; Ranjbar-Karimi, Reza; Mohammadiannejad, Kazem","Utilizing perhalopyridine-based alkynes as suitable precursors for the synthesis of novel poly(1,2,3-triazolyl)-substituted perhalopyridines","RSC Advances","2024","14","42","30873","30885","10.1039/D4RA05861E","","","0.71073","MoKα","","0.1046","0.0771","","","0.2002","0.2207","","","","","","1.063","","","","has coordinates","294938","2024-09-29","00:59:08",""
"7249406","21.5606","0.0009","4.5954","0.0002","25.0465","0.001","90","","110.368","0.001","90","","2326.44","0.17","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 Br4 N2 O4 Zn -","- C20 H20 Br4 N2 O4 Zn -","- C80 H80 Br16 N8 O16 Zn4 -","4","0.5","","Gishan, Md; Middya, Puspendu; Drew, Michael G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","Synthesis, structural characterization, and theoretical analysis of novel zinc(ii) schiff base complexes with halogen and hydrogen bonding interactions","RSC Advances","2024","14","42","30896","30911","10.1039/D4RA06217E","","","0.71073","MoKα","","0.0619","0.0449","","","0.1099","0.1341","","","","","","1.201","","","","has coordinates,has disorder","294939","2024-09-29","00:59:34",""
"7249407","21.494","0.002","13.8469","0.0013","9.6418","0.0013","90","","90","","90","","2869.6","0.5","273","2","273","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C26 H34 N2 O8 Zn -","- C26 H34 N2 O8 Zn -","- C104 H136 N8 O32 Zn4 -","4","0.5","","Gishan, Md; Middya, Puspendu; Drew, Michael G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","Synthesis, structural characterization, and theoretical analysis of novel zinc(ii) schiff base complexes with halogen and hydrogen bonding interactions","RSC Advances","2024","14","42","30896","30911","10.1039/D4RA06217E","","","0.71073","MoKα","","0.0646","0.05","","","0.14","0.1548","","","","","","1.027","","","","has coordinates,has disorder","294939","2024-09-29","00:59:35",""
"7249408","12.5138","0.0005","11.9667","0.0004","16.7858","0.0007","90","","108.173","0.001","90","","2388.27","0.16","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Br2 N2 O4 Zn -","- C22 H26 Br2 N2 O4 Zn -","- C88 H104 Br8 N8 O16 Zn4 -","4","1","","Gishan, Md; Middya, Puspendu; Drew, Michael G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","Synthesis, structural characterization, and theoretical analysis of novel zinc(ii) schiff base complexes with halogen and hydrogen bonding interactions","RSC Advances","2024","14","42","30896","30911","10.1039/D4RA06217E","","","0.71073","MoKα","","0.0949","0.0682","","","0.1997","0.2263","","","","","","1.037","","","","has coordinates","294939","2024-09-29","00:59:36",""
"7249409","9.2241","0.0008","10.399","0.001","25.056","0.002","90","","90","","90","","2403.4","0.4","287","2","287.16","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H38 Br2 N4 O4 S2 -","- C54 H38 Br2 N4 O4 S2 -","- C108 H76 Br4 N8 O8 S4 -","2","0.5","","Wu, Yingtao; Guan, Xin; Jiao, Kehan; Zhao, Huaqiu; Li, Mingrui; Sun, Jiaqiong; Zheng, Guangfan; Zhang, Qian","Synthesis of axially chiral thiourea by NHC-catalyzed desymmetrizative amidation","Green Chemistry","2024","26","21","10940","10949","10.1039/D4GC03113J","","","1.54178","CuKα","","0.0464","0.0436","","","0.1121","0.115","","","","","","1.071","","","","has coordinates","296613","2024-12-06","20:01:14",""
"7249410","7.3836","0.0003","8.3568","0.0003","15.1792","0.0005","90","","98.58","0.001","90","","926.12","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 N4 O6 -","- C6 H8 N4 O6 -","- C24 H32 N16 O24 -","4","1","","Churakov, Andrei V.","Three peroxomorphic H2O2 adducts of antibiotic furacin: the first cases of 2D hydrogen-bonded peroxide layers and concerted flip-flop hydrogen disorder of peroxide species","CrystEngComm","2024","26","42","5996","6002","10.1039/D4CE00822G","","","0.71073","MoKα","","0.037","0.0315","","","0.0768","0.0799","","","","","","1.029","","","","has coordinates","296461","2024-12-06","17:30:15",""
"7249411","12.642","0.0004","8.4671","0.0003","18.6298","0.0006","90","","101.447","0.001","90","","1954.49","0.11","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H9 N4 O7 -","- C6 H9 N4 O7 -","- C48 H72 N32 O56 -","8","1","","Churakov, Andrei V.","Three peroxomorphic H2O2 adducts of antibiotic furacin: the first cases of 2D hydrogen-bonded peroxide layers and concerted flip-flop hydrogen disorder of peroxide species","CrystEngComm","2024","26","42","5996","6002","10.1039/D4CE00822G","","","0.71073","MoKα","","0.0385","0.0315","","","0.0803","0.0844","","","","","","1.048","","","","has coordinates","296461","2024-12-06","17:30:15",""
"7249412","8.8432","0.0003","12.7456","0.0005","13.2427","0.0005","105.681","0.0013","108.501","0.0013","103.703","0.0014","1274.85","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H26 N8 O22 -","- C12 H26 N8 O22 -","- C24 H52 N16 O44 -","2","1","","Churakov, Andrei V.","Three peroxomorphic H2O2 adducts of antibiotic furacin: the first cases of 2D hydrogen-bonded peroxide layers and concerted flip-flop hydrogen disorder of peroxide species","CrystEngComm","2024","26","42","5996","6002","10.1039/D4CE00822G","","","0.71073","MoKα","","0.0584","0.0426","","","0.1026","0.1107","","","","","","1.027","","","","has coordinates,has disorder","296461","2024-12-06","17:30:15",""
"7249413","11.7657","0.0003","15.6126","0.0003","19.2536","0.0004","67.274","0.002","76.636","0.002","87.587","0.002","3169.44","0.13","100.15","","100.15","","","","","","","","","8","P -1","-P 1","2","","zxy48","","- C25 H40 Co3.5 Ge K2 N5 O54 W9 -","- C25 H40 Co3.5 Ge K2 N5 O53.998 W9 -","- C50 H80 Co7 Ge2 K4 N10 O107.996 W18 -","2","1","","Chen, Zhe-Hong; Zhang, Xiao-Yue; Li, Da-Huan; Li, Xin-Xiong; Sun, Yan-Qiong; Sun, Cai; Zheng, Shou-Tian","Organic–inorganic hybrid Co-containing polyoxotungstate as an oxygen evolution catalyst","CrystEngComm","2024","26","41","5840","5844","10.1039/D4CE00873A","","","0.71073","MoKα","","0.0744","0.0526","","","0.1436","0.1605","","","","","","1.064","","","","has coordinates,has disorder","296448","2024-12-06","17:26:38",""
"7249414","11.7109","0.0003","15.5844","0.0006","19.2261","0.0008","67.382","0.004","76.551","0.003","87.841","0.002","3145","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H42.5 Ge K2 N5 O53.5 W9 Zn3.5 -","- C25 H40 Ge K2 N5 O53.5 W9.02 Zn3.5 -","- C50 H80 Ge2 K4 N10 O107 W18.04 Zn7 -","2","1","","Chen, Zhe-Hong; Zhang, Xiao-Yue; Li, Da-Huan; Li, Xin-Xiong; Sun, Yan-Qiong; Sun, Cai; Zheng, Shou-Tian","Organic–inorganic hybrid Co-containing polyoxotungstate as an oxygen evolution catalyst","CrystEngComm","2024","26","41","5840","5844","10.1039/D4CE00873A","","","0.71073","MoKα","","0.0875","0.062","","","0.1792","0.2039","","","","","","1.07","","","","has coordinates,has disorder","296448","2024-12-06","17:26:38",""
"7249415","8.552","0.002","9.056","0.004","9.909","0.003","68.308","0.01","71.722","0.013","79.828","0.013","675.5","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Borane-N-benzyl-1-cyclohexylmethanamine","","- C14 H24 B N -","- C14 H24 B N -","- C28 H48 B2 N2 -","2","1","","Snyder, Madison J.; Alawaed, Abdulkhaliq A.; Li, Chunge; Pacentine, Samantha; Hamann, Henry J.; Ramachandran, P. Veeraraghavan","TiF<sub>4</sub>-mediated, one-pot, reductive amination of carboxylic acids with borane-ammonia.","RSC advances","2024","14","42","31205","31209","10.1039/d4ra05888g","","","0.71073","MoKα","","0.0698","0.0467","","","0.1199","0.1336","","","","","","1.048","","","","has coordinates","294978","2024-10-02","01:16:39",""
"7249416","8.6436","0.0005","18.9145","0.0012","8.3234","0.0005","90","","99.035","0.006","90","","1343.9","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N3 O2 -","- C13 H17 N3 O2 -","- C52 H68 N12 O8 -","4","1","","Ajormal, Fatemeh; Bikas, Rahman; Ghasemzadeh, Hossein; Noshiranzadeh, Nader; Kozakiewicz-Piekarz, Anna","Green and recyclable catalyst based on chitosan/CuFe2O4 nanocomposite hydrogel for one-step synthesis of 1,2,3-triazoles","RSC Advances","2024","14","43","31320","31331","10.1039/D4RA05626D","","","0.71073","MoKα","","0.1097","0.0602","","","0.1184","0.1442","","","","","","1.041","","","","has coordinates","294979","2024-10-02","01:16:59",""
"7249417","11.7049","0.0003","14.686","0.0003","8.72913","0.00018","90","","110.758","0.002","90","","1403.12","0.06","99.99","0.1","99.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","1","","Chiu, Wei-Jung; Sun, Chung-Ming","Electrochemistry-enabled Rh-catalyzed regioselective [4 + 1] and [4 + 2] cycloaddition of benzoic acid with alkynyl esters/amides","Green Chemistry","2024","26","21","10996","11002","10.1039/D4GC03753G","","x-ray","1.54184","CuKα","","0.059","0.0517","","","0.1332","0.1386","","","","","","1.058","","","","has coordinates","296614","2024-12-06","20:01:23",""
"7249418","7.4776","0.0002","9.1826","0.0002","12.9115","0.0003","83.847","0.002","78.595","0.002","81.772","0.002","857.25","0.04","99.98","0.1","99.98","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C20 H22 O4 -","- C20 H22 O4 -","- C40 H44 O8 -","2","1","","Chiu, Wei-Jung; Sun, Chung-Ming","Electrochemistry-enabled Rh-catalyzed regioselective [4 + 1] and [4 + 2] cycloaddition of benzoic acid with alkynyl esters/amides","Green Chemistry","2024","26","21","10996","11002","10.1039/D4GC03753G","","x-ray","1.54184","CuKα","","0.0426","0.0352","","","0.0892","0.0943","","","","","","1.069","","","","has coordinates","296614","2024-12-06","20:01:23",""
"7249419","10.208","0.0008","12.3079","0.0005","13.6327","0.0011","92.111","0.005","94.947","0.007","92.151","0.005","1703.8","0.2","295","2","295","2","","","","","","","","7","P -1","-P 1","2","Naphthalenediimide-bis-methoxyphenylphosphonium","","","- C68 H70 B2 F8 N2 O10 P2 -","- C68 H70 B2 F8 N2 O10 P2 -","- C68 H70 B2 F8 N2 O10 P2 -","1","0.5","","Kumar, Sharvan; Mandal, Kalyanashis; M R, Ajayakumar; Hundal, Geeta; Mukhopadhyay, Pritam","Unravelling the intramolecular n → σ* interaction in ultra-electron deficient naphthalenediimides and their radical ions.","Physical chemistry chemical physics : PCCP","2024","26","40","26076","26083","10.1039/d4cp02834a","","","0.71073","MoKα","","0.1305","0.0873","","","0.2728","0.3127","","","","","","1.015","","","","has coordinates,has disorder","296707","2024-12-06","20:50:06",""
"7249420","15.845","0.003","4.6481","0.0009","26.022","0.005","90","","104.992","0.005","90","","1851.3","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H38 N6 O2 -","- C42 H38 N6 O2 -","- C84 H76 N12 O4 -","2","0.5","","Islam, Md Faizul; Wijesekera, Gamage Isuri P.; Sindt, Ammon J.; Smith, Mark D.; Shimizu, Linda S.","Examination of photoinduced radicals in two crystal forms of triphenylamine bis-urea macrocycles","CrystEngComm","2024","26","42","6025","6033","10.1039/D4CE00839A","","x-ray","0.71073","MoKα","","0.144","0.1165","","","0.2137","0.2254","","","","","","1.222","","","","has coordinates","296460","2024-12-06","17:30:02",""
"7249421","15.7922","0.0012","4.7118","0.0004","26.096","0.002","90","","104.8","0.002","90","","1877.4","0.3","301","2","301","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43.81 H42.51 N6 O2.9 -","- C43.8 H42.5 N6 O2.9 -","- C87.6 H85 N12 O5.8 -","2","0.5","","Islam, Md Faizul; Wijesekera, Gamage Isuri P.; Sindt, Ammon J.; Smith, Mark D.; Shimizu, Linda S.","Examination of photoinduced radicals in two crystal forms of triphenylamine bis-urea macrocycles","CrystEngComm","2024","26","42","6025","6033","10.1039/D4CE00839A","","x-ray","0.71073","MoKα","","0.1235","0.0834","","","0.204","0.231","","","","","","1.054","","","","has coordinates,has disorder","296460","2024-12-06","17:30:02",""
"7249422","15.878","0.002","4.6413","0.0006","26.735","0.003","90","","99.584","0.003","90","","1942.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43.43 H40.29 Br2 N6 O2.72 S0.71 -","- C43.432 H40.296 Br2 N6 O2.716 S0.716 -","- C86.864 H80.592 Br4 N12 O5.432 S1.432 -","2","0.5","","Islam, Md Faizul; Wijesekera, Gamage Isuri P.; Sindt, Ammon J.; Smith, Mark D.; Shimizu, Linda S.","Examination of photoinduced radicals in two crystal forms of triphenylamine bis-urea macrocycles","CrystEngComm","2024","26","42","6025","6033","10.1039/D4CE00839A","","x-ray","0.71073","MoKα","","0.0823","0.0667","","","0.112","0.1168","","","","","","1.222","","","","has coordinates,has disorder","296460","2024-12-06","17:30:02",""
"7249423","12.5361","0.0006","15.4564","0.0007","23.5236","0.0012","90","","92.009","0.001","90","","4555.2","0.4","296.15","","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H80 Co2 Mo12 N16 O52 Si -","- C52 H72 Co2 Mo12 N16 O48 Si -","- C104 H144 Co4 Mo24 N32 O96 Si2 -","2","0.5","","Gong, Yuan; Liu, Tao; Tian, Aixiang; Ying, Jun; Yang, Mengle","A series of polyoxometalate compounds: syntheses, characterization, electrochemical sensing and photocatalytic properties","CrystEngComm","2024","26","43","6155","6160","10.1039/D4CE00897A","","","0.71073","MoKα","","0.0697","0.0407","","","0.0788","0.0937","","","","","","1.046","","","","has coordinates","296453","2024-12-06","17:28:05",""
"7249424","12.7451","0.0007","12.7628","0.0008","13.4678","0.0007","95.939","0.002","109.007","0.002","112.422","0.002","1848.57","0.19","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H34 Cu2 Mo4 N8 O16 -","- C26 H34 Cu2 Mo4 N8 O16 -","- C52 H68 Cu4 Mo8 N16 O32 -","2","1","","Gong, Yuan; Liu, Tao; Tian, Aixiang; Ying, Jun; Yang, Mengle","A series of polyoxometalate compounds: syntheses, characterization, electrochemical sensing and photocatalytic properties","CrystEngComm","2024","26","43","6155","6160","10.1039/D4CE00897A","","","0.71073","MoKα","","0.0889","0.0452","","","0.0921","0.1139","","","","","","1.035","","","","has coordinates","296453","2024-12-06","17:28:05",""
"7249425","12.5392","0.0003","13.1412","0.0003","21.0778","0.0005","89.219","0.001","83.579","0.001","62.077","0.001","3046.62","0.13","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C52 H95 Cu2 Mo24 N16 O97.5 Si2 -","- C52 H88 Cu2 Mo24 N16 O94 Si2 -","- C52 H88 Cu2 Mo24 N16 O94 Si2 -","1","0.5","","Gong, Yuan; Liu, Tao; Tian, Aixiang; Ying, Jun; Yang, Mengle","A series of polyoxometalate compounds: syntheses, characterization, electrochemical sensing and photocatalytic properties","CrystEngComm","2024","26","43","6155","6160","10.1039/D4CE00897A","","","0.71073","MoKα","","0.0876","0.068","","","0.1329","0.145","","","","","","1.139","","","","has coordinates,has disorder","296453","2024-12-06","17:28:05",""
"7249426","12.5205","0.0004","15.3929","0.0006","23.5897","0.0008","90","","91.987","0.001","90","","4543.6","0.3","296.15","","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H77 Mo12 N16 Ni2 O50.5 Si -","- C52 H72 Mo12 N16 Ni2 O48 Si -","- C104 H144 Mo24 N32 Ni4 O96 Si2 -","2","0.5","","Gong, Yuan; Liu, Tao; Tian, Aixiang; Ying, Jun; Yang, Mengle","A series of polyoxometalate compounds: syntheses, characterization, electrochemical sensing and photocatalytic properties","CrystEngComm","2024","26","43","6155","6160","10.1039/D4CE00897A","","","0.71073","MoKα","","0.0383","0.032","","","0.0704","0.0761","","","","","","1.106","","","","has coordinates","296453","2024-12-06","17:28:05",""
"7249427","11.1116","0.0007","14.8127","0.0009","15.3395","0.0009","90","","101.802","0.001","90","","2471.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 Cd N4 O7.5 S -","- C21 H20 Cd N4 O7.5 S -","- C84 H80 Cd4 N16 O30 S4 -","4","1","","Li, Senlin; Gu, Yanan; Zhao, Bo; Cai, Haocheng; Zhao, Zhuo; Sun, Qiaozhen; Zhang, Bingguang","Effects of the recognition sites of MOFs on turn-off fluorescence detection of Fe3+","CrystEngComm","2024","26","43","6126","6133","10.1039/D4CE00899E","","","0.71073","MoKα","","0.0448","0.0374","","","0.1064","0.1109","","","","","","1.029","","","","has coordinates,has disorder","296455","2024-12-06","17:28:45",""
"7249428","10.327","0.001","13.8387","0.0013","18.3399","0.0018","102.548","0.001","101.141","0.001","102.354","0.001","2418.9","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H34 Cd2 N6 O10 S2 -","- C42 H34 Cd2 N6 O10 S2 -","- C84 H68 Cd4 N12 O20 S4 -","2","1","","Li, Senlin; Gu, Yanan; Zhao, Bo; Cai, Haocheng; Zhao, Zhuo; Sun, Qiaozhen; Zhang, Bingguang","Effects of the recognition sites of MOFs on turn-off fluorescence detection of Fe3+","CrystEngComm","2024","26","43","6126","6133","10.1039/D4CE00899E","","","0.71073","MoKα","","0.0601","0.036","","","0.08","0.0848","","","","","","1.036","","","","has coordinates","296455","2024-12-06","17:28:45",""
"7249429","12.3314","0.0002","13.5371","0.0002","17.361","0.0003","90","","102.929","0.001","90","","2824.62","0.08","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 Br N4 O3 P Re -","- C30 H25 Br N4 O3 P Re -","- C120 H100 Br4 N16 O12 P4 Re4 -","4","1","","Valdivieso, Jorge P.; Erickson, Alexander N.; Gardinier, James R.","Group 7 carbonyl complexes of a PNN-heteroscorpionate ligand","RSC Advances","2024","14","43","31502","31516","10.1039/D4RA05287K","","x-ray","1.54184","CuKα","","0.0337","0.0302","","","0.0719","0.0737","","","","","","1.138","","","","has coordinates,has disorder","295078","2024-10-06","00:20:28",""
"7249430","16.4795","0.0002","12.8391","0.0002","16.5133","0.0003","90","","111.481","0.0018","90","","3251.22","0.1","100","0.1","100","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31.84 H27.51 F3 Mn N4.84 O5.16 P S -","- C31.836 H27.508 F3 Mn N4.836 O5.164 P S -","- C127.344 H110.032 F12 Mn4 N19.344 O20.656 P4 S4 -","4","1","","Valdivieso, Jorge P.; Erickson, Alexander N.; Gardinier, James R.","Group 7 carbonyl complexes of a PNN-heteroscorpionate ligand","RSC Advances","2024","14","43","31502","31516","10.1039/D4RA05287K","","x-ray","1.54184","CuKα","","0.0383","0.0347","","","0.0894","0.0922","","","","","","1.032","","","","has coordinates,has disorder","295078","2024-10-06","00:20:42",""
"7249431","16.4795","0.0002","12.8391","0.0002","16.5133","0.0003","90","","111.481","0.0018","90","","3251.22","0.1","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31.92 H27.77 F3 Mn N4.92 O5.08 P S -","- C31.924 H27.772 F3 Mn N4.924 O5.076 P S -","- C127.696 H111.088 F12 Mn4 N19.696 O20.304 P4 S4 -","4","1","","Valdivieso, Jorge P.; Erickson, Alexander N.; Gardinier, James R.","Group 7 carbonyl complexes of a PNN-heteroscorpionate ligand","RSC Advances","2024","14","43","31502","31516","10.1039/D4RA05287K","","x-ray","1.54184","CuKα","","0.0262","0.0261","","","0.0693","0.0694","","","","","","1.052","","","","has coordinates,has disorder","295078","2024-10-06","00:20:44",""
"7249432","16.6364","0.0003","12.9137","0.0002","16.678","0.0003","90","","111.962","0.002","90","","3323.04","0.11","100","0.1","100","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 F3 N5 O5 P Re S -","- C32 H28 F3 N5 O5 P Re S -","- C128 H112 F12 N20 O20 P4 Re4 S4 -","4","1","","Valdivieso, Jorge P.; Erickson, Alexander N.; Gardinier, James R.","Group 7 carbonyl complexes of a PNN-heteroscorpionate ligand","RSC Advances","2024","14","43","31502","31516","10.1039/D4RA05287K","","x-ray","1.54184","CuKα","","0.0431","0.0345","","","0.0839","0.0897","","","","","","1.052","","","","has coordinates","295078","2024-10-06","00:20:44",""
"7249433","11.99461","0.00014","14.01447","0.00015","19.186","0.0002","90","","96.0115","0.0011","90","","3207.39","0.06","100","0.1","100","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H25 F3 Mn N4 O6 P S -","- C31 H25 F3 Mn N4 O6 P S -","- C124 H100 F12 Mn4 N16 O24 P4 S4 -","4","1","","Valdivieso, Jorge P.; Erickson, Alexander N.; Gardinier, James R.","Group 7 carbonyl complexes of a PNN-heteroscorpionate ligand","RSC Advances","2024","14","43","31502","31516","10.1039/D4RA05287K","","x-ray","1.54184","CuKα","","0.0321","0.0293","","","0.0743","0.0762","","","","","","1.045","","","","has coordinates","295078","2024-10-06","00:20:46",""
"7249434","9.3815","0.0003","12.9857","0.0004","13.075","0.0005","64.443","0.003","85.597","0.003","88.991","0.003","1432.56","0.09","99.9","0.3","99.9","0.3","","","","","","","","8","P -1","-P 1","2","","","","- C28 H25 F3 Mn0.5 N4 O4 P S -","- C28 H25 F3 Mn0.5 N4 O4 P S -","- C56 H50 F6 Mn N8 O8 P2 S2 -","2","1","","Valdivieso, Jorge P.; Erickson, Alexander N.; Gardinier, James R.","Group 7 carbonyl complexes of a PNN-heteroscorpionate ligand","RSC Advances","2024","14","43","31502","31516","10.1039/D4RA05287K","","x-ray","1.54184","CuKα","","0.034","0.0307","","","0.0785","0.0815","","","","","","1.042","","","","has coordinates","295078","2024-10-06","00:20:47",""
"7249435","8.9587","0.0003","12.2629","0.0004","14.9571","0.0005","99.615","0.002","90.746","0.002","94.564","0.002","1614.38","0.09","100","0.1","100","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C31 H25 F3 N4 O6 P Re S -","- C31 H25 F3 N4 O6 P Re S -","- C62 H50 F6 N8 O12 P2 Re2 S2 -","2","1","","Valdivieso, Jorge P.; Erickson, Alexander N.; Gardinier, James R.","Group 7 carbonyl complexes of a PNN-heteroscorpionate ligand","RSC Advances","2024","14","43","31502","31516","10.1039/D4RA05287K","","x-ray","1.54184","CuKα","","0.0384","0.0349","","","0.0856","0.0881","","","","","","1.034","","","","has coordinates","295078","2024-10-06","00:20:50",""
"7249436","5.9259","0.0001","10.326","0.0003","17.558","0.0004","90","","96.5555","0.001","90","","1067.36","0.04","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cd N4 O4 S2 -","- C18 H18 Cd N4 O4 S2 -","- C36 H36 Cd2 N8 O8 S4 -","2","0.5","","Saleh, Dalia I.; Mahmoud, Samy F.; Etaiw, Safaa Eldin H.","Synergistic impact of nano-supramolecular coordination polymer based on cadmium, ethyl nicotinate and thiocyanate ligands as efficient catalyst to remove harmful elements from wastewater","RSC Advances","2024","14","43","31471","31485","10.1039/D4RA05068A","","","0.71073","MoKα","","0.0799","0.0343","","0.1082","0.0711","0.0711","","","","","","0.9894","","","","has coordinates","295079","2024-10-06","00:22:02",""
"7249437","7.4858","0.0003","8.0027","0.0003","12.7743","0.0005","90","","90","","90","","765.27","0.05","121","2","121","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C2 H4 As F7 O3 -","- C2 H4 As F7 O3 -","- C8 H16 As4 F28 O12 -","4","1","","Virmani, Alan; Jessen, Christoph; Nitzer, Alexander; Kornath, Andreas J.","Deoxyfluorination with superacids – synthesis and characterization of protonated α-fluorohydroxyacetic acid","RSC Advances","2024","14","43","31517","31523","10.1039/D4RA05449K","","","0.71073","MoKα","","0.0416","0.032","","","0.0587","0.0631","","","","","","1.028","","","","has coordinates","295080","2024-10-06","00:22:47",""
"7249438","10.4665","0.0007","10.8561","0.0008","16.2199","0.0011","86.643","0.003","76.578","0.002","61.751","0.002","1576.31","0.19","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 N3 O4 S -","- C12.5 H10.5 N1.5 O2 S0.5 -","- C50 H42 N6 O8 S2 -","4","2","","Roys, Krupa Elsa; Manju, S. L.; Siddiq, Mohamed; Sambandam, Anandan","Novel A-π-D-A organic dyes for better photovoltaic performance.","RSC advances","2024","14","40","29229","29241","10.1039/d4ra05341a","","","0.71073","MoKα","","0.1416","0.0906","","","0.3076","0.375","","","","","","1.2725","","","","has coordinates","295081","2024-10-06","00:24:17",""
"7249439","15.433","0.0011","15.7491","0.0019","19.3229","0.0015","90","","91.05","0.003","90","","4695.8","0.8","193","","193","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H42 F12 N12 P2 Pt3 S2 -","- C30 H42 F12 N12 P2 Pt3 S2 -","- C120 H168 F48 N48 P8 Pt12 S8 -","4","1","","Yabune, Natsuki; Nakajima, Hiroshi; Nishioka, Takanori","Restriction of reaction sites on metal-sulfide cores induced by steric repulsion of bis-N-heterocyclic carbene ligands in trinuclear complexes bearing triply bridging sulfide ligands.","RSC advances","2024","14","40","29355","29367","10.1039/d4ra01671h","","","0.71075","MoKα","","0.0544","0.0513","","","0.1054","0.1073","","","","","","1.002","","","","has coordinates","295082","2024-10-06","00:27:04",""
"7249440","12.4809","0.0002","14.6151","0.0005","15.7052","0.0001","77.649","0.018","66.585","0.013","77.483","0.017","2540.1","0.3","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C30.5 H46 F12 N12 O1.5 P2 Pt3 S2 -","- C29 H40 F12 N12 P2 Pt3 S2 -","- C58 H80 F24 N24 P4 Pt6 S4 -","2","1","","Yabune, Natsuki; Nakajima, Hiroshi; Nishioka, Takanori","Restriction of reaction sites on metal-sulfide cores induced by steric repulsion of bis-N-heterocyclic carbene ligands in trinuclear complexes bearing triply bridging sulfide ligands.","RSC advances","2024","14","40","29355","29367","10.1039/d4ra01671h","","","0.71075","MoKα","","0.0437","0.0384","","","0.0889","0.0938","","","","","","1.062","","","","has coordinates","295082","2024-10-06","00:27:18",""
"7249441","10.2266","0.0003","13.017","0.0008","16.8232","0.0011","99.891","0.004","93.302","0.003","90.379","0.002","2202.2","0.2","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C30.5 H40 F12 N12 P2 Pt3 S2 -","- C28 H38 F12 N12 P2 Pt3 S2 -","- C56 H76 F24 N24 P4 Pt6 S4 -","2","1","","Yabune, Natsuki; Nakajima, Hiroshi; Nishioka, Takanori","Restriction of reaction sites on metal-sulfide cores induced by steric repulsion of bis-N-heterocyclic carbene ligands in trinuclear complexes bearing triply bridging sulfide ligands.","RSC advances","2024","14","40","29355","29367","10.1039/d4ra01671h","","","0.71075","MoKα","","0.0255","0.0248","","","0.0581","0.0585","","","","","","1.119","","","","has coordinates","295082","2024-10-06","00:27:22",""
"7249442","12.3687","0.0011","12.3687","0.0011","27.8127","0.0018","90","","90","","90","","4254.9","0.6","193","2","193.35","","","","","","","","","8","I 41","I 4bw","80","","","","- C32 H45 F6 N11 P Pt2 Rh S2 -","- C26 H36 F6 N8 P Pt2 Rh S2 -","- C104 H144 F24 N32 P4 Pt8 Rh4 S8 -","4","0.5","","Yabune, Natsuki; Nakajima, Hiroshi; Nishioka, Takanori","Restriction of reaction sites on metal-sulfide cores induced by steric repulsion of bis-N-heterocyclic carbene ligands in trinuclear complexes bearing triply bridging sulfide ligands.","RSC advances","2024","14","40","29355","29367","10.1039/d4ra01671h","","","0.71075","MoKα","","0.0555","0.0492","","","0.1122","0.1169","","","","","","1.0062","","","","has coordinates,has disorder","295082","2024-10-06","00:27:24",""
"7249443","16.814","0.007","17.82","0.007","22.082","0.009","101.846","0.007","92.738","0.012","92.657","0.005","6457","5","193","","193","","","","","","","","","8","P -1","-P 1","2","","","","- C72 H102 Ag3 F42 N30 P7 Pt6 S4 -","- C72 H102 Ag3 F42 N30 P7 Pt6 S4 -","- C144 H204 Ag6 F84 N60 P14 Pt12 S8 -","2","1","","Yabune, Natsuki; Nakajima, Hiroshi; Nishioka, Takanori","Restriction of reaction sites on metal-sulfide cores induced by steric repulsion of bis-N-heterocyclic carbene ligands in trinuclear complexes bearing triply bridging sulfide ligands.","RSC advances","2024","14","40","29355","29367","10.1039/d4ra01671h","","","0.71075","MoKα","","0.0766","0.0625","","","0.1521","0.1643","","","","","","1.016","","","","has coordinates","295082","2024-10-06","00:27:30",""
"7249444","14.1996","0.0006","14.1996","0.0006","16.3484","0.0007","90","","90","","120","","2854.7","0.2","193","","193.35","","","","","","","","","7","P 63/m","-P 6c","176","","","","- C39 H57 F12 N15 P2 Pt3 S2 -","- C39 H57 F12 N15 P2 Pt3 S2 -","- C78 H114 F24 N30 P4 Pt6 S4 -","2","0.166667","","Yabune, Natsuki; Nakajima, Hiroshi; Nishioka, Takanori","Restriction of reaction sites on metal-sulfide cores induced by steric repulsion of bis-N-heterocyclic carbene ligands in trinuclear complexes bearing triply bridging sulfide ligands.","RSC advances","2024","14","40","29355","29367","10.1039/d4ra01671h","","","0.71075","MoKα","","0.0329","0.0328","","","0.0737","0.0737","","","","","","1.0282","","","","has coordinates,has disorder","295082","2024-10-06","00:27:34",""
"7249445","17.827","0.004","25.802","0.004","13.476","0.003","90","","128.641","0.005","90","","4841.6","1.7","193","2","193.35","","","","","","","","","8","C 1 m 1","C -2y","8","","","","- C79 H85 B2 Cl6 N8 Pt2 Rh S2 -","- C76 H79 B2 N8 Pt2 Rh S2 -","- C152 H158 B4 N16 Pt4 Rh2 S4 -","2","0.5","","Yabune, Natsuki; Nakajima, Hiroshi; Nishioka, Takanori","Restriction of reaction sites on metal-sulfide cores induced by steric repulsion of bis-N-heterocyclic carbene ligands in trinuclear complexes bearing triply bridging sulfide ligands.","RSC advances","2024","14","40","29355","29367","10.1039/d4ra01671h","","","0.71075","MoKα","","0.0447","0.0399","","","0.0958","0.102","","","","","","0.8978","","","","has coordinates,has disorder","295082","2024-10-06","00:27:37",""
"7249446","24.235","0.002","12.8335","0.0009","20.6397","0.0018","90","","112.905","0.002","90","","5913.2","0.8","193","2","193.35","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36.2 H53.8 Ag2 F13 N15.2 O5.8 P3.5 Pt3 S2 -","- C30.2 H44.8 Ag2 F13 N12.2 O5.8 P3.5 Pt3 S2 -","- C120.8 H179.2 Ag8 F52 N48.8 O23.2 P14 Pt12 S8 -","4","1","","Yabune, Natsuki; Nakajima, Hiroshi; Nishioka, Takanori","Restriction of reaction sites on metal-sulfide cores induced by steric repulsion of bis-N-heterocyclic carbene ligands in trinuclear complexes bearing triply bridging sulfide ligands.","RSC advances","2024","14","40","29355","29367","10.1039/d4ra01671h","","","0.71075","MoKα","","0.0763","0.0684","","","0.1236","0.1283","","","","","","1.039","","","","has coordinates,has disorder","295082","2024-10-06","00:27:39",""
"7249447","10.3826","0.0006","16.2352","0.001","21.2335","0.0014","106.864","0.002","102.927","0.002","102.216","0.002","3188.4","0.3","301","2","301","","","","","","","","","5","P -1","-P 1","2","","","","- C66.9 H43.1 N5.3 O21.3 Zn4 -","- C66 H41 N5 O21 Zn4 -","- C132 H82 N10 O42 Zn8 -","2","1","","Sendh, Jagajiban; Baruah, Jubaraj B.","Sequential effects of two cations on the fluorescence emission of a coordination polymer with Zn<sub>4</sub>O core in node.","RSC advances","2024","14","43","31598","31606","10.1039/d4ra06309k","","","0.71073","MoKα","","0.0704","0.0479","","","0.1309","0.1583","","","","","","1.098","","","","has coordinates,has disorder","295376","2024-10-09","01:25:01",""
"7249448","9.9899","0.0011","14.6866","0.0016","17.88","0.002","88.277","0.005","77.431","0.004","78.288","0.005","2506.9","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Bis-(triphenylphosphine)- ?3-2,4,6-tris-(2-pyridyl)-1,3,5-triazine silver (I) perchlorate ethanol mono solvate","","- C56 H48 Ag Cl N6 O5 P2 -","- C56 H48 Ag Cl N6 O5 P2 -","- C112 H96 Ag2 Cl2 N12 O10 P4 -","2","1","","Hassoon, Azza A.; Smith, Stacey J.; Harrison, Roger G.","Cadmium and silver complexes of a pyridine containing ligand: syntheses, structural studies, biological activity and docking studies","RSC Advances","2024","14","43","31850","31860","10.1039/D4RA05305B","","","1.54178","CuKα","","0.0342","0.0336","","","0.0864","0.087","","","","","","1.075","","","","has coordinates,has disorder","295377","2024-10-09","01:25:26",""
"7249449","13.9944","0.0008","12.1989","0.0007","13.1277","0.0008","90","","90","","90","","2241.1","0.2","298","","298","","","","","","","","","6","P c a 21","P 2c -2ac","29","(NpO2)3(PO4)2(Terpy)","","","- C15 H11 N3 Np3 O14 P2 -","- C15 H11 N3 Np3 O14 P2 -","- C60 H44 N12 Np12 O56 P8 -","4","1","","Zhang, Lei; Wang, Yu; Xu, Mengyu; Kokot, Alex M.; Qiu, Jie; Burns, Peter C.","Hydrothermal synthesis and structure of organically templated layered neptunyl(vi) phosphate (NpO2)3(PO4)2(Terpy)","CrystEngComm","2024","26","42","5991","5995","10.1039/D4CE00121D","","","0.71073","MoKα","","0.018","0.0176","","","0.0452","0.0455","","","","","","1.069","","","","has coordinates","296458","2024-12-06","17:29:25",""
"7249450","10.5018","0.00006","10.5018","0.00006","10.5018","0.00006","90","","90","","90","","1158.22","0.011","90","2","90","0.1","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- S4 Sn3 -","- S4 Sn3 -","- S32 Sn24 -","8","0.0416667","","Gajda, Roman; Podsiadło, Sławomir; Jastrzębski, Cezariusz; Dłużewski, Piotr; Woźniak, Krzysztof","Sn3S4: a new mixed-valence tin sulfide","CrystEngComm","2024","26","46","6553","6561","10.1039/D4CE00629A","","","0.56085","AgKα","","0.0265","0.0265","","","0.0802","0.0802","","","","","","1.233","","","","has coordinates","296472","2024-12-06","17:40:02",""
"7249451","17.492","0.004","4.754","0.001","34.846","0.007","90","","98.42","0.03","90","","2866.5","1.1","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C28 H54 O6 -","- C28 H54 O6 -","- C112 H216 O24 -","4","1","","Gwóźdź, Magdalena; Markiewicz, Marta; Stolte, Stefan; Chrobok, Anna; Turner, David R.; Matuszek, Karolina; Brzęczek-Szafran, Alina","Biomass-derived polyol esters as sustainable phase change materials for renewable energy storage","Green Chemistry","2024","26","22","11259","11271","10.1039/D4GC03460K","","","0.71073","MoKα","","0.0902","0.0858","","","0.2103","0.2201","","","","","","0.9969","","","","has coordinates","296609","2024-12-06","20:00:22",""
"7249452","18.197","0.004","4.763","0.001","45.953","0.009","90","","93.13","0.03","90","","3976.9","1.4","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C40 H78 O6 -","- C40 H78 O6 -","- C160 H312 O24 -","4","1","","Gwóźdź, Magdalena; Markiewicz, Marta; Stolte, Stefan; Chrobok, Anna; Turner, David R.; Matuszek, Karolina; Brzęczek-Szafran, Alina","Biomass-derived polyol esters as sustainable phase change materials for renewable energy storage","Green Chemistry","2024","26","22","11259","11271","10.1039/D4GC03460K","","","0.71073","MoKα","","0.117","0.0812","","","0.23","0.2764","","","","","","1.06","","","","has coordinates","296609","2024-12-06","20:00:23",""
"7249453","7.629","0.0001","7.6702","0.0001","14.1025","0.0004","94.2128","0.0019","99.531","0.002","98.0165","0.0016","801.93","0.03","95","","95","","","","","","","","","7","P -1","-P 1","2","","","","- C12 H18 Cl N2 O2 P S2 -","- C12 H18 Cl N2 O2 P S2 -","- C24 H36 Cl2 N4 O4 P2 S4 -","2","1","","Hosseinpoor, Saeed; Pourayoubi, Mehrdad; Zmeškalová, Eliška; Poupon, Morgane","Supramolecular motifs formed by CH3/Cl-substituted arene groups: evidence for structural differences in thiophosphoramides and similarities in their complexes","RSC Advances","2024","14","44","32206","32220","10.1039/D4RA05281A","","","1.54184","CuKα","","0.0258","0.0255","","0.0713","0.071","0.0713","","","","","","0.9743","","","","has coordinates","295471","2024-10-13","00:55:42",""
"7249454","7.8502","0.0002","10.1868","0.0004","11.6914","0.0004","113.275","0.003","97.462","0.003","97.123","0.003","835.66","0.05","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C12 H17 Cl N2 Ni0.5 O2 P S2 -","- C12 H17 Cl N2 Ni0.5 O2 P S2 -","- C24 H34 Cl2 N4 Ni O4 P2 S4 -","2","1","","Hosseinpoor, Saeed; Pourayoubi, Mehrdad; Zmeškalová, Eliška; Poupon, Morgane","Supramolecular motifs formed by CH3/Cl-substituted arene groups: evidence for structural differences in thiophosphoramides and similarities in their complexes","RSC Advances","2024","14","44","32206","32220","10.1039/D4RA05281A","","","1.54184","CuKα","","0.0534","0.0496","","0.1414","0.1338","0.1414","","","","","","1.0003","","","","has coordinates","295471","2024-10-13","00:55:43",""
"7249455","8.2171","0.0003","9.9942","0.0004","11.1612","0.0004","113.611","0.003","93.655","0.003","92.926","0.003","835.21","0.06","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C13 H20 N2 Ni0.5 O2 P S2 -","- C13 H20 N2 Ni0.5 O2 P S2 -","- C26 H40 N4 Ni O4 P2 S4 -","2","1","","Hosseinpoor, Saeed; Pourayoubi, Mehrdad; Zmeškalová, Eliška; Poupon, Morgane","Supramolecular motifs formed by CH3/Cl-substituted arene groups: evidence for structural differences in thiophosphoramides and similarities in their complexes","RSC Advances","2024","14","44","32206","32220","10.1039/D4RA05281A","","","1.5418","CuKα","","0.049","0.045","","0.1393","0.1332","0.1393","","","","","","0.9943","","","","has coordinates","295471","2024-10-13","00:55:43",""
"7249456","5.8046","0.0002","10.7878","0.0002","13.3907","0.0003","81.0002","0.0018","83.334","0.002","89.276","0.002","822.58","0.04","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H21 N2 O2 P S2 -","- C13 H21 N2 O2 P S2 -","- C26 H42 N4 O4 P2 S4 -","2","1","","Hosseinpoor, Saeed; Pourayoubi, Mehrdad; Zmeškalová, Eliška; Poupon, Morgane","Supramolecular motifs formed by CH3/Cl-substituted arene groups: evidence for structural differences in thiophosphoramides and similarities in their complexes","RSC Advances","2024","14","44","32206","32220","10.1039/D4RA05281A","","","1.54184","CuKα","","0.0328","0.0308","","0.0965","0.0877","0.0965","","","","","","1.0378","","","","has coordinates","295471","2024-10-13","00:55:44",""
"7249457","26.4492","0.001","16.7231","0.0006","5.3699","0.0002","90","","94.146","0.004","90","","2368.96","0.15","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H19 F3 N2 O2 -","- C33 H19 F3 N2 O2 -","- C132 H76 F12 N8 O8 -","4","1","","Chen, Meiling; Chen, Yuzhuo; Zhang, Ting; Zhang, Hua; Xiao, Zhiwen; Su, Zhongzhen; Wu, Yunan","Molecular design and functional outcomes of RTP and TADF traits in isomers","RSC Advances","2024","14","44","32221","32228","10.1039/D4RA05807K","","x-ray","1.54184","CuKα","","0.1138","0.0901","","","0.2456","0.267","","","","","","1.07","","","","has coordinates","295472","2024-10-13","00:56:07",""
"7249458","9.9594","0.0003","7.892","0.0002","32.1717","0.0009","90","","93.018","0.002","90","","2525.18","0.12","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H19 F3 N2 O2 -","- C33 H19 F3 N2 O2 -","- C132 H76 F12 N8 O8 -","4","1","","Chen, Meiling; Chen, Yuzhuo; Zhang, Ting; Zhang, Hua; Xiao, Zhiwen; Su, Zhongzhen; Wu, Yunan","Molecular design and functional outcomes of RTP and TADF traits in isomers","RSC Advances","2024","14","44","32221","32228","10.1039/D4RA05807K","","","1.54184","CuKα","","0.076","0.0628","","","0.1616","0.1715","","","","","","1.049","","","","has coordinates","295472","2024-10-13","00:56:08",""
"7249459","14.1951","0.0003","10.5832","0.0002","17.5467","0.0003","90","","98.318","0.002","90","","2608.3","0.09","292.9","0.3","292.9","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H19 F3 N2 O2 -","- C33 H19 F3 N2 O2 -","- C132 H76 F12 N8 O8 -","4","1","","Chen, Meiling; Chen, Yuzhuo; Zhang, Ting; Zhang, Hua; Xiao, Zhiwen; Su, Zhongzhen; Wu, Yunan","Molecular design and functional outcomes of RTP and TADF traits in isomers","RSC Advances","2024","14","44","32221","32228","10.1039/D4RA05807K","","x-ray","1.54184","CuKα","","0.0772","0.0643","","","0.1798","0.1967","","","","","","1.048","","","","has coordinates","295472","2024-10-13","00:56:08",""
"7249460","16.07317","0.0001","6.24689","0.00004","35.5828","0.0002","90","","101.201","0.0006","90","","3504.71","0.04","100","0.2","100","0.2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C176 H136 F32 N8 O8 -","8","1","","., Sakshi; Gupta, Yogita; Robertson, Craig; Roy Choudhury, Angshuman; Munshi, Parthapratim","Organic Fluorine Mediated Intermolecular Interactions: Insights from Experimental and Theoretical Charge Density Analyses","CrystEngComm","2024","","","","","10.1039/D4CE00829D","","x-ray","0.71073","MoKα","","0.0368","0.0326","","","0.105","0.1092","","","","","","1.081","","","","has coordinates","295483","2024-10-14","22:35:31",""
"7249461","17.648","0.003","30.273","0.005","22.438","0.004","90","","90","","90","","11988","4","100","","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C36 H18 Eu F18 N3 O6 -","- C36 H18 Eu F18 N3 O6 -","- C432 H216 Eu12 F216 N36 O72 -","12","3","","Al-Sharji, Houda; Ilmi, Rashid; Oliveira, Willyan F.; Al-Saadi, Balqees S.; Dutra, José D. L.; Abou-Zied, Osama K.; Raithby, Paul R.; Khan, Muhammad S.","Deciphering intersystem crossing and energy transfer mechanisms in a nonacoordinated ternary europium(iii) complex: a combined spectroscopic and theoretical study","RSC Advances","2024","14","44","32573","32582","10.1039/D4RA06727D","","","0.71073","MoKα","","0.1048","0.0954","","","0.2334","0.2444","","","","","","1.079","","","","has coordinates,has disorder","295500","2024-10-16","01:15:03",""
"7249462","8.2136","0.0001","12.8837","0.0002","9.3506","0.0002","90","","97.325","0.001","90","","981.42","0.03","194","2","194","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N6 -","- C24 H22 N6 -","- C48 H44 N12 -","2","0.5","","Kwon, So Hyeon; Lee, Sunwoo; Tessarolo, Jacopo; Lee, Haeri","Stimuli-responsive Zn(ii) complexes showing the structural conversion and on/off switching of catalytic properties","RSC Advances","2024","14","44","32655","32660","10.1039/D4RA06058J","","","0.71073","MoKα","","0.0444","0.0405","","","0.1073","0.1116","","","","","","1.044","","","","has coordinates","295515","2024-10-17","01:09:36",""
"7249463","7.9002","0.0008","11.6313","0.0012","14.4637","0.0014","90","","90.13","0.003","90","","1329.1","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Cl4 N6 Zn2 -","- C24 H22 Cl4 N6 Zn2 -","- C48 H44 Cl8 N12 Zn4 -","2","0.5","","Kwon, So Hyeon; Lee, Sunwoo; Tessarolo, Jacopo; Lee, Haeri","Stimuli-responsive Zn(ii) complexes showing the structural conversion and on/off switching of catalytic properties","RSC Advances","2024","14","44","32655","32660","10.1039/D4RA06058J","","","0.71073","MoKα","","0.0892","0.0747","","","0.1247","0.1295","","","","","","1.161","","","","has coordinates","295515","2024-10-17","01:09:37",""
"7249464","8.1556","0.0004","11.6931","0.0007","14.6784","0.0008","90","","90.389","0.002","90","","1399.76","0.13","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Br4 N6 Zn2 -","- C24 H22 Br4 N6 Zn2 -","- C48 H44 Br8 N12 Zn4 -","2","0.5","","Kwon, So Hyeon; Lee, Sunwoo; Tessarolo, Jacopo; Lee, Haeri","Stimuli-responsive Zn(ii) complexes showing the structural conversion and on/off switching of catalytic properties","RSC Advances","2024","14","44","32655","32660","10.1039/D4RA06058J","","","0.71073","MoKα","","0.0509","0.0338","","","0.0682","0.0787","","","","","","1.131","","","","has coordinates","295515","2024-10-17","01:09:37",""
"7249465","7.9366","0.0006","19.2414","0.0016","11.2733","0.0009","90","","96.936","0.002","90","","1709","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 Cl2 N6 O12 Zn -","- C28 H38 Cl2 N6 O12 Zn -","- C56 H76 Cl4 N12 O24 Zn2 -","2","0.5","","Kwon, So Hyeon; Lee, Sunwoo; Tessarolo, Jacopo; Lee, Haeri","Stimuli-responsive Zn(ii) complexes showing the structural conversion and on/off switching of catalytic properties","RSC Advances","2024","14","44","32655","32660","10.1039/D4RA06058J","","","0.71073","MoKα","","0.0421","0.036","","","0.0924","0.0981","","","","","","1.054","","","","has coordinates","295515","2024-10-17","01:09:38",""
"7249466","14.9058","0.0003","10.4325","0.0002","20.5991","0.0004","90","","109.478","0.001","90","","3019.93","0.1","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 I4 N6 Zn2 -","- C24 H22 I4 N6 Zn2 -","- C96 H88 I16 N24 Zn8 -","4","1","","Kwon, So Hyeon; Lee, Sunwoo; Tessarolo, Jacopo; Lee, Haeri","Stimuli-responsive Zn(ii) complexes showing the structural conversion and on/off switching of catalytic properties","RSC Advances","2024","14","44","32655","32660","10.1039/D4RA06058J","","","0.71073","MoKα","","0.0419","0.034","","","0.0705","0.0739","","","","","","1.031","","","","has coordinates","295515","2024-10-17","01:09:38",""
"7249467","10.9854","0.0009","12.5818","0.0011","25.124","0.002","81.71","0.002","80.594","0.003","75.975","0.002","3303.8","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H68 Cl4 N12 O22 Zn2 -","- C54 H68 Cl4 N12 O22.003 Zn2 -","- C108 H136 Cl8 N24 O44.006 Zn4 -","2","1","","Kwon, So Hyeon; Lee, Sunwoo; Tessarolo, Jacopo; Lee, Haeri","Stimuli-responsive Zn(ii) complexes showing the structural conversion and on/off switching of catalytic properties","RSC Advances","2024","14","44","32655","32660","10.1039/D4RA06058J","","","0.71073","MoKα","","0.0933","0.057","","","0.116","0.1334","","","","","","1.074","","","","has coordinates,has disorder","295515","2024-10-17","01:09:38",""
"7249468","6.662","0.002","21.965","0.001","16.468","0.001","90","","91.69","0.01","90","","2408.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 F N3 O7 -","- C26 H26 F N3 O7 -","- C104 H104 F4 N12 O28 -","4","1","","Kenguva, Gowtham; Rekha Rout, Smruti; Shaikh, Tabrez R.; Baidya, Debjani; Shelke, Nikita; Sanphui, Palash; Dandela, Rambabu","Structural insights into ketanserin salts with aliphatic acids and their physiochemical properties","CrystEngComm","2024","26","44","6260","6268","10.1039/D4CE00738G","","","0.71073","MoKα","","0.0881","0.0537","","","0.1154","0.133","","","","","","1.062","","","","has coordinates","296447","2024-12-06","17:26:18",""
"7249469","9.104","0.003","10.937","0.004","12.774","0.005","86.214","0.011","71.917","0.01","82.894","0.012","1199.3","0.8","301","","301","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H29 F N4 O8 S -","- C22 H29 F N4 O8 S -","- C44 H58 F2 N8 O16 S2 -","2","1","","Kenguva, Gowtham; Rekha Rout, Smruti; Shaikh, Tabrez R.; Baidya, Debjani; Shelke, Nikita; Sanphui, Palash; Dandela, Rambabu","Structural insights into ketanserin salts with aliphatic acids and their physiochemical properties","CrystEngComm","2024","26","44","6260","6268","10.1039/D4CE00738G","","","0.71073","MoKα","","0.1757","0.0902","","","0.2316","0.2646","","","","","","1.061","","","","has coordinates,has disorder","296447","2024-12-06","17:26:18",""
"7249470","6.0189","0.0005","31.707","0.002","12.5009","0.0007","90","","96.981","0.002","90","","2368","0.3","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 F N3 O7 -","- C26 H26 F N3 O7 -","- C104 H104 F4 N12 O28 -","4","1","","Kenguva, Gowtham; Rekha Rout, Smruti; Shaikh, Tabrez R.; Baidya, Debjani; Shelke, Nikita; Sanphui, Palash; Dandela, Rambabu","Structural insights into ketanserin salts with aliphatic acids and their physiochemical properties","CrystEngComm","2024","26","44","6260","6268","10.1039/D4CE00738G","","","0.71073","MoKα","","0.1012","0.0479","","","0.1109","0.1476","","","","","","1.097","","","","has coordinates","296447","2024-12-06","17:26:18",""
"7249471","8.554","0.003","10.936","0.005","12.526","0.005","85.91","0.02","76.418","0.019","87.737","0.017","1135.8","0.8","100","2","99.98","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H28 F N4 O7 S -","- C22 H28 F N4 O7 S -","- C44 H56 F2 N8 O14 S2 -","2","1","","Kenguva, Gowtham; Rekha Rout, Smruti; Shaikh, Tabrez R.; Baidya, Debjani; Shelke, Nikita; Sanphui, Palash; Dandela, Rambabu","Structural insights into ketanserin salts with aliphatic acids and their physiochemical properties","CrystEngComm","2024","26","44","6260","6268","10.1039/D4CE00738G","","","0.71073","MoKα","","0.0623","0.0456","","","0.1015","0.1098","","","","","","1.051","","","","has coordinates","296447","2024-12-06","17:26:18",""
"7249472","11.6451","0.0003","9.4203","0.0003","17.2278","0.0004","90","","107.197","0.001","90","","1805.41","0.09","298","2","298.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Atenolol fumarate hydrate","","- C16 H26 N2 O6 -","- C16 H26 N2 O6 -","- C64 H104 N8 O24 -","4","1","","Shajan, Daliya K.; Pandey, Noopur; Ghosh, Animesh; Srivastava, Anubha; Sanphui, Palash","Pharmaceutical salts to improve diffusion permeability of a BCS class III β-blocker drug atenolol","CrystEngComm","2024","26","45","6420","6431","10.1039/D4CE01003E","","","0.71073","MoKα","","0.0629","0.0577","","","0.1535","0.1579","","","","","","1.0452","","","","has coordinates","296491","2024-12-06","17:48:03",""
"7249473","7.6162","0.0007","12.3399","0.0017","12.7919","0.0013","66.228","0.012","89.807","0.008","74.215","0.01","1051","0.2","113.15","","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 N4 O2 S -","- C23 H22 N4 O2 S -","- C46 H44 N8 O4 S2 -","2","1","","Li, Tong; Zhang, Jin; Li, Maolin; Qu, Haibin; Wu, Songgu; Gong, Junbo","Mechanism of solvent-mediated polymorphic transformation to prepare axitinib form XLI controlled by water activity","CrystEngComm","2024","26","46","6562","6572","10.1039/D4CE00863D","","x-ray","0.71073","MoKα","","0.1879","0.1375","","","0.3422","0.3747","","","","","","1.109","","","","has coordinates","296476","2024-12-06","17:41:22",""
"7249474","9.8122","0.0012","10.5321","0.0013","14.9799","0.0017","87.605","0.004","87.231","0.004","86.746","0.004","1542.6","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H84 N6 O14 Zn3 -","- C58 H84 N6 O14 Zn3 -","- C58 H84 N6 O14 Zn3 -","1","0.5","","Gak Simić, Kristina; Đorđević, Ivana; Mašulović, Aleksandra; Radovanović, Lidija; Jeannin, Olivier; Camerel, Franck; Trišović, Nemanja","Self-assembly properties of zinc(ii) complexes with azo ligands grafted with dodecyl chains: towards supramolecular materials driven by coordination and hydrophobic effect","CrystEngComm","2024","26","45","6448","6464","10.1039/D4CE00983E","","x-ray","0.71073","MoKα","","0.0505","0.0341","","","0.0756","0.0828","","","","","","1.011","","","","has coordinates","296487","2024-12-06","17:47:06",""
"7249475","15.459","0.002","10.6509","0.0013","30.001","0.004","90","","103.017","0.006","90","","4812.8","1.1","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H64 N10 O8 Zn -","- C44 H64 N10 O8 Zn -","- C176 H256 N40 O32 Zn4 -","4","0.5","","Gak Simić, Kristina; Đorđević, Ivana; Mašulović, Aleksandra; Radovanović, Lidija; Jeannin, Olivier; Camerel, Franck; Trišović, Nemanja","Self-assembly properties of zinc(ii) complexes with azo ligands grafted with dodecyl chains: towards supramolecular materials driven by coordination and hydrophobic effect","CrystEngComm","2024","26","45","6448","6464","10.1039/D4CE00983E","","x-ray","0.71073","MoKα","","0.0751","0.062","","","0.1695","0.1788","","","","","","1.088","","","","has coordinates","296487","2024-12-06","17:47:07",""
"7249476","10.5388","0.0006","19.0742","0.0009","9.8492","0.0005","90","","107.023","0.005","90","","1893.13","0.18","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N O3 P -","- C21 H20 N O3 P -","- C84 H80 N4 O12 P4 -","4","1","","Boruah, Tribani; Ishizeki, Ren; Roldan, Alberto; Melen, Rebecca L.; Wirth, Thomas","Flow electrosynthesis of phosphinamides and phosphoramidates through P–N coupling","Green Chemistry","2024","26","23","11722","11727","10.1039/D4GC04450A","","","0.71073","MoKα","","0.0636","0.046","","","0.1085","0.1206","","","","","","1.058","","","","has coordinates","296612","2024-12-06","20:01:06",""
"7249477","16.9837","0.0012","9.6048","0.0006","9.6892","0.0007","90","","90","","90","","1580.55","0.19","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H16 N O P -","- C18 H16 N O P -","- C72 H64 N4 O4 P4 -","4","1","","Boruah, Tribani; Ishizeki, Ren; Roldan, Alberto; Melen, Rebecca L.; Wirth, Thomas","Flow electrosynthesis of phosphinamides and phosphoramidates through P–N coupling","Green Chemistry","2024","26","23","11722","11727","10.1039/D4GC04450A","","","0.71073","MoKα","","0.0707","0.0454","","","0.0927","0.1071","","","","","","1.086","","","","has coordinates","296612","2024-12-06","20:01:06",""
"7249478","11.4422","0.0006","6.0033","0.0003","15.6542","0.0009","90","","100.064","0.005","90","","1058.76","0.1","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 O2 P -","- C12 H11 O2 P -","- C48 H44 O8 P4 -","4","1","","Boruah, Tribani; Ishizeki, Ren; Roldan, Alberto; Melen, Rebecca L.; Wirth, Thomas","Flow electrosynthesis of phosphinamides and phosphoramidates through P–N coupling","Green Chemistry","2024","26","23","11722","11727","10.1039/D4GC04450A","","","0.71073","MoKα","","0.0578","0.0406","","","0.0914","0.1036","","","","","","1.115","","","","has coordinates","296612","2024-12-06","20:01:06",""
"7249479","9.2605","0.0004","11.3986","0.0005","14.1564","0.0005","90","","93.665","0.003","90","","1491.25","0.11","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 O2 P -","- C18 H15 O2 P -","- C72 H60 O8 P4 -","4","1","","Boruah, Tribani; Ishizeki, Ren; Roldan, Alberto; Melen, Rebecca L.; Wirth, Thomas","Flow electrosynthesis of phosphinamides and phosphoramidates through P–N coupling","Green Chemistry","2024","26","23","11722","11727","10.1039/D4GC04450A","","","0.71073","MoKα","","0.0775","0.057","","","0.1411","0.155","","","","","","1.069","","","","has coordinates","296612","2024-12-06","20:01:06",""
"7249480","15.6012","0.0012","9.0207","0.0005","11.749","0.0009","90","","107.452","0.008","90","","1577.4","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N O2 P -","- C18 H16 N O2 P -","- C72 H64 N4 O8 P4 -","4","1","","Boruah, Tribani; Ishizeki, Ren; Roldan, Alberto; Melen, Rebecca L.; Wirth, Thomas","Flow electrosynthesis of phosphinamides and phosphoramidates through P–N coupling","Green Chemistry","2024","26","23","11722","11727","10.1039/D4GC04450A","","","0.71073","MoKα","","0.1203","0.062","","","0.1278","0.1578","","","","","","1.037","","","","has coordinates","296612","2024-12-06","20:01:06",""
"7249481","12.2065","0.0013","15.7058","0.0016","14.4096","0.0015","90","","104.927","0.004","90","","2669.3","0.5","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H46 N16 O20 U4 -","- C32 H46 N16 O20 U4 -","- C64 H92 N32 O40 U8 -","2","0.5","","S., Nakul; R., Bhagavathish; Kulkarni, Naveen V.; Patil, Ajeetkumar; Arakera, Suresh B.; John, Sam","Synthesis and characterization of novel uranyl clusters supported by bis(pyrazolyl) methane ligands: biomimetic catalytic oxidation, BSA protein interaction and cytotoxicity studies","RSC Advances","2024","14","45","32802","32817","10.1039/D4RA06347C","","","0.71073","MoKα","","0.087","0.0509","","","0.0934","0.1048","","","","","","1.054","","","","has coordinates","295562","2024-10-20","01:16:32",""
"7249482","8.4881","0.0017","9.075","0.0018","14.96","0.003","93.295","0.006","105.306","0.006","92.251","0.006","1107.9","0.4","298","2","298","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H24 Cu I2 N8 O6 -","- C42 H24 Cu I2 N8 O6 -","- C42 H24 Cu I2 N8 O6 -","1","0.5","","Paul, Eshani; Raza, Rameez; Dhara, Subrata Ranjan; Baildya, Nabajyoti; Ghosh, Kumaresh","6-Aminocoumarin-derived Schiff base gelators: aggregation and sensing of CN−, Fe3+, Cu2+ and CO2 under different conditions","RSC Advances","2024","14","45","32759","32770","10.1039/D4RA05503A","","","0.71073","MoKα","","0.1975","0.1089","","","0.1656","0.1987","","","","","","1.062","","","","has coordinates","295563","2024-10-20","01:16:44",""
"7249483","11.43","0.002","10.72","0.002","27.57","0.006","90","","97.95","0.03","90","","3345.7","1.1","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","CuPMTT","","- C21 H21.5 Cu2 N10.5 S8.98 -","- C12 H8 Cu2 N6 S8.995 -","- C48 H32 Cu8 N24 S35.98 -","4","2","","Jie, Hao-Chen; Lan, Zhi-Qing; Li, Ke-Feng; Ye, Xiao-Liang; Duan, Shui-Lin; Fu, Zhi-Hua; Wang, Guan-E; Xu, Gang","Surface functionalized chalcogenides for highly selective removal of Hg2+","CrystEngComm","2024","26","44","6255","6259","10.1039/D4CE00923A","","","0.71073","MoKα","","0.1815","0.1424","","","0.3384","0.3648","","","","","","0.999","","","","has coordinates,has disorder","296445","2024-12-06","17:25:08",""
"7249484","7.3072","0.0003","10.6416","0.0004","12.3542","0.0004","65.804","0.001","74.301","0.002","72.465","0.002","823.52","0.05","297","","297","","","","","","","","","4","P -1","-P 1","2","","6-(pyridin-4-ylmethyl)-5H-quinazolino[3,2-a]quinazoline-5,12(6H)-dione","","- C21 H14 N4 O2 -","- C21 H14 N4 O2 -","- C42 H28 N8 O4 -","2","1","","Pathi , Vijay Babu; Das, Pranotosh; Guin, Abhyuday; Debnath, Manish; Banerji, Biswadip","Metal-Free Synthesis of N-fused Quinazolino-quinazoline-diones as MALAT1 RNA triple helix Intercalator","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00614C","","x-ray","1.54178","CuKα","","0.123","0.1107","","","0.2912","0.3116","","","","","","1.2779","","","","has coordinates","295585","2024-10-22","23:55:32",""
"7249485","8.0947","0.001","10.0181","0.0013","11.8931","0.0015","71.761","0.004","77.741","0.004","86.957","0.004","895","0.2","130","","130","","","","","","","","","4","P -1","-P 1","2","","methyl 2-(3,10-dimethoxy-5,12-dioxo-5H-quinazolino[3,2-a]quinazolin-6(12H)-yl)acetate","","- C20 H17 N3 O6 -","- C20 H17 N3 O6 -","- C40 H34 N6 O12 -","2","1","","Pathi , Vijay Babu; Das, Pranotosh; Guin, Abhyuday; Debnath, Manish; Banerji, Biswadip","Metal-Free Synthesis of N-fused Quinazolino-quinazoline-diones as MALAT1 RNA triple helix Intercalator","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00614C","","x-ray","1.54178","CuKα","","0.0463","0.0452","","","0.1248","0.1263","","","","","","1.0611","","","","has coordinates","295585","2024-10-22","23:55:33",""
"7249486","9.1156","0.0005","9.7993","0.0005","10.6132","0.0005","93.016","0.002","112.64","0.002","111.021","0.002","796.49","0.07","100","","100","","","","","","","","","4","P -1","-P 1","2","","6-(pyridin-2-ylmethyl)-5H-quinazolino[3,2-a]quinazoline-5,12(6H)-dione","","- C21 H14 N4 O2 -","- C21 H14 N4 O2 -","- C42 H28 N8 O4 -","2","1","","Pathi , Vijay Babu; Das, Pranotosh; Guin, Abhyuday; Debnath, Manish; Banerji, Biswadip","Metal-Free Synthesis of N-fused Quinazolino-quinazoline-diones as MALAT1 RNA triple helix Intercalator","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00614C","","x-ray","1.54178","CuKα","","0.0624","0.0594","","","0.1642","0.1676","","","","","","1.0668","","","","has coordinates","295585","2024-10-22","23:55:34",""
"7249487","7.08","0.0005","21.6873","0.0017","22.6977","0.0018","90","","90","","90","","3485.1","0.5","125","","125","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6-(4-nitrobenzyl)-5H-quinazolino[3,2-a]quinazoline-5,12(6H)-dione","","- C22 H14 N4 O4 -","- C22 H14 N4 O4 -","- C176 H112 N32 O32 -","8","1","","Pathi , Vijay Babu; Das, Pranotosh; Guin, Abhyuday; Debnath, Manish; Banerji, Biswadip","Metal-Free Synthesis of N-fused Quinazolino-quinazoline-diones as MALAT1 RNA triple helix Intercalator","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00614C","","","1.54178","CuKα","","0.0655","0.0631","","","0.1618","0.1649","","","","","","1.0524","","","","has coordinates","295585","2024-10-22","23:55:35",""
"7249488","12.5135","0.0005","15.5149","0.0005","11.9063","0.0005","90","","113.94","0.002","90","","2112.7","0.14","193","","193","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C19 H14 Cl Cu N4 O4 -","- C19 H14 Cl Cu N4 O4 -","- C76 H56 Cl4 Cu4 N16 O16 -","4","1","","Wang, Fang-Fang; Wang, Yu-Jie; Qiu, Zhao-Feng; Zhang, Kai-Yang; Zhao, Yue; Sun, Wei-Yin","Copper(i) and cobalt(ii) frameworks with a tetraphenylethene–imidazole ligand for the electroreduction of CO2 to CH4","CrystEngComm","2024","26","45","6465","6471","10.1039/D4CE00991F","","x-ray","1.34139","GaKα","","0.06","0.0499","","","0.1275","0.1339","","","","","","1.078","","","","has coordinates,has disorder","296488","2024-12-06","17:47:20",""
"7249489","15.0501","0.0015","13.4447","0.0013","24.018","0.003","90","","93.932","0.005","90","","4848.5","0.9","193","","193","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H42 Co F6 N10 O6 -","- C48 H42 Co F6 N10 O6 -","- C192 H168 Co4 F24 N40 O24 -","4","1","","Wang, Fang-Fang; Wang, Yu-Jie; Qiu, Zhao-Feng; Zhang, Kai-Yang; Zhao, Yue; Sun, Wei-Yin","Copper(i) and cobalt(ii) frameworks with a tetraphenylethene–imidazole ligand for the electroreduction of CO2 to CH4","CrystEngComm","2024","26","45","6465","6471","10.1039/D4CE00991F","","","1.34139","GaKα","","0.0788","0.0666","","","0.1935","0.2031","","","","","","1.027","","","","has coordinates,has disorder","296488","2024-12-06","17:47:20",""
"7249490","10.137","0.002","11.456","0.003","13.238","0.003","113.447","0.009","91.736","0.01","95.668","0.01","1399.4","0.6","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","RN_BP_BDS110","","- C36 H29 Cl2 N3 -","- C35 H27 N3 -","- C70 H54 N6 -","2","1","","Das, Barnali; Bhattacharyya, Arghyadeep; Paul, Bhaswati; Natarajan, Ramalingam; Majumdar, Swapan","An elegant approach for the synthesis of multisubstituted imidazole <i>via</i> FeCl<sub>3</sub>/SiO<sub>2</sub> catalyzed activation of acetals: a photophysical study of an imidazole-carbazole hybrid.","RSC advances","2024","14","45","33512","33523","10.1039/d4ra06436d","","x-ray","1.54178","CuKα","","0.0692","0.0649","","","0.2066","0.212","","","","","","1.033","","","","has coordinates","295602","2024-10-24","01:01:28",""
"7249491","28.989","0.009","9.949","0.003","7.723","0.003","90","","90","","90","","2227.4","1.3","296.15","","296.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H30 Cl7 In N4 O -","- C10 H30 Cl7 In N4 O -","- C40 H120 Cl28 In4 N16 O4 -","4","0.5","","Wang, Qi; Jiang, Wei; Xuan, Peng-Yao; Zhao, Ke; Fu, Xiu-Yue; Zhang, Xiao-Rui; Lei, Xiao-Wu; Yue, Cheng-Yang; Kong, Xiang-Wen","Zero-dimensional organic–inorganic hybrid indium halide perovskite with broadband yellow light emission","CrystEngComm","2024","26","45","6486","6492","10.1039/D4CE00895B","","","0.71073","MoKα","","0.0378","0.0277","","","0.0586","0.062","","","","","","1.016","","","","has coordinates,has disorder","296486","2024-12-06","17:46:51",""
"7249492","31.5957","0.0019","16.8364","0.0009","28.2441","0.0016","90","","90","","90","","15024.7","1.5","100","2","100","2","","","","","","","","5","I m a 2","I 2 -2a","46","Hacac@UoC-9(Ca)","","","- C93 H55 Ca5 F9 O27 -","- C93 H55 Ca5 F9 O27 -","- C372 H220 Ca20 F36 O108 -","4","0.5","","Sebastian, Sean S.; Dicke, Finn P.; Ruschewitz, Uwe","Exploring the host–guest interactions of small molecules in UoC-9(Ca)","CrystEngComm","2024","26","44","6361","6368","10.1039/D4CE01007H","","","1.54178","CuKα","","0.0666","0.0608","","","0.1586","0.1658","","","","","","1.045","","","","has coordinates,has disorder","296446","2024-12-06","17:26:00",""
"7249493","31.7465","0.0013","16.6974","0.0007","28.4978","0.0011","90","","90","","90","","15106.2","1.1","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","Toluene@UoC-9","","","- C103.62 H76.75 Ca5 F9 N3.97 O24.97 -","- C103.617 H76.748 Ca5 F9 N3.972 O24.972 -","- C414.468 H306.992 Ca20 F36 N15.888 O99.888 -","4","1","","Sebastian, Sean S.; Dicke, Finn P.; Ruschewitz, Uwe","Exploring the host–guest interactions of small molecules in UoC-9(Ca)","CrystEngComm","2024","26","44","6361","6368","10.1039/D4CE01007H","","","0.71073","MoKα","","0.084","0.0726","","","0.1977","0.2096","","","","","","1.018","","","","has coordinates,has disorder","296446","2024-12-06","17:26:01",""
"7249494","31.6409","0.0019","16.5291","0.0009","28.7463","0.0015","90","","90","","90","","15034.2","1.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C95 H63 Ca5 F9 O25 -","- C95 H63 Ca5 F9 O25 -","- C380 H252 Ca20 F36 O100 -","4","1","","Sebastian, Sean S.; Dicke, Finn P.; Ruschewitz, Uwe","Exploring the host–guest interactions of small molecules in UoC-9(Ca)","CrystEngComm","2024","26","44","6361","6368","10.1039/D4CE01007H","","","0.71073","MoKα","","0.0923","0.0739","","","0.1978","0.2144","","","","","","1.035","","","","has coordinates,has disorder","296446","2024-12-06","17:26:01",""
"7249495","32.033","0.006","49.659","0.01","28.956","0.006","90","","90","","90","","46061","16","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","NMP@UoC-9","","","- C111.835 H90.23666 Ca5 F9 N5.76666 O25.76666 -","- C111.835 H90.2363 Ca5 F9 N5.767 O25.767 -","- C1342.02 H1082.84 Ca60 F108 N69.204 O309.204 -","12","3","","Sebastian, Sean S.; Dicke, Finn P.; Ruschewitz, Uwe","Exploring the host–guest interactions of small molecules in UoC-9(Ca)","CrystEngComm","2024","26","44","6361","6368","10.1039/D4CE01007H","","","0.5","synchrotron","","0.1699","0.097","","","0.257","0.3181","","","","","","0.951","","","","has coordinates,has disorder","296446","2024-12-06","17:26:01",""
"7249496","31.6786","0.0008","16.5991","0.0005","28.8107","0.0008","90","","90","","90","","15149.7","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","Propylenecarbonate@UoC-9","","","- C103 H69 Ca5 F9 O36 -","- C103 H69 Ca5 F9 O36 -","- C412 H276 Ca20 F36 O144 -","4","1","","Sebastian, Sean S.; Dicke, Finn P.; Ruschewitz, Uwe","Exploring the host–guest interactions of small molecules in UoC-9(Ca)","CrystEngComm","2024","26","44","6361","6368","10.1039/D4CE01007H","","","0.71073","MoKα","","0.0721","0.0623","","","0.1802","0.1913","","","","","","1.039","","","","has coordinates,has disorder","296446","2024-12-06","17:26:01",""
"7249497","31.8875","0.0014","16.6009","0.0007","28.7479","0.0011","90","","90","","90","","15218","1.1","100","2","100","2","","","","","","","","6","I m a 2","I 2 -2a","46","","","","- C117.76 H83.26 Ca5 F9 N7.25 O25 -","- C117.764 H83.26 Ca5 F9 N7.252 O25 -","- C471.056 H333.04 Ca20 F36 N29.008 O100 -","4","0.5","","Sebastian, Sean S.; Dicke, Finn P.; Ruschewitz, Uwe","Exploring the host–guest interactions of small molecules in UoC-9(Ca)","CrystEngComm","2024","26","44","6361","6368","10.1039/D4CE01007H","","","0.71073","MoKα","","0.0491","0.0478","","","0.1379","0.1408","","","","","","1.068","","","","has coordinates,has disorder","296446","2024-12-06","17:26:01",""
"7249498","15.451","0.003","5.2329","0.0007","12.2017","0.0016","90","","111.585","0.005","90","","917.4","0.2","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H8 O8 Zn -","- C8 H8 O8 Zn -","- C32 H32 O32 Zn4 -","4","0.5","","Starodubtseva, Alena A.; Dubrovskiy, Vladislav A.; Malik, Seiilbek D.; Lyssenko, Konstantin A.; Sembayeva, Aliya M.; Morontsev, Aleksandr A.; Galeyeva, Alina K.; Trussov, Ivan A.","Some aspects of MOF-74 (Zn2DOBDC) metal–organic framework formation using THF as the solvent","CrystEngComm","2024","26","43","6161","6171","10.1039/D4CE00905C","","","0.71073","MoKα","","0.1032","0.0644","","","0.1006","0.1155","","","","","","0.855","","","","has coordinates","296444","2024-12-06","17:24:46",""
"7249499","22.9353","0.0004","22.9353","0.0004","15.9392","0.0003","90","","90","","120","","7261.2","0.2","295","0.1","295","0.1","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C8 H5 O7.5 Zn2 -","- C8 H2 O6 Zn2 -","- C144 H36 O108 Zn36 -","18","1","","Starodubtseva, Alena A.; Dubrovskiy, Vladislav A.; Malik, Seiilbek D.; Lyssenko, Konstantin A.; Sembayeva, Aliya M.; Morontsev, Aleksandr A.; Galeyeva, Alina K.; Trussov, Ivan A.","Some aspects of MOF-74 (Zn2DOBDC) metal–organic framework formation using THF as the solvent","CrystEngComm","2024","26","43","6161","6171","10.1039/D4CE00905C","","x-ray","0.71073","MoKα","","0.0763","0.0724","","","0.1925","0.1974","","","","","","1.089","","","","has coordinates,has disorder","296444","2024-12-06","17:24:47",""
"7249500","9.3834","0.0007","13.8555","0.0011","29.438","0.002","96.035","0.002","92.269","0.002","103.563","0.002","3691.8","0.5","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C80 H79.85 Cd2 N4 O14.3 -","- C80 H79.85 Cd2 N4 O14.3 -","- C160 H159.7 Cd4 N8 O28.6 -","2","1","","Shit, Manik; Das, Pubali; Samanta, Arnab; Dutta, Basudeb; Das, Mainak; Roy, Sourav; Sinha, Chittaranjan; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Regulating electrical conductivity and Schottky nature of d10 metal ion-based nanoarchitectonics in coordination polymers","CrystEngComm","2024","26","46","6618","6626","10.1039/D4CE00901K","","","0.71073","MoKα","","0.096","0.0778","","","0.1827","0.2014","","","","","","1.111","","","","has coordinates,has disorder","296473","2024-12-06","17:40:18",""
"7249501","9.489","0.003","14.585","0.004","15.052","0.004","72.307","0.013","72.215","0.01","76.897","0.009","1869.1","0.9","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H39 N3 O10 Zn2 -","- C40 H39 N3 O10 Zn2 -","- C80 H78 N6 O20 Zn4 -","2","1","","Shit, Manik; Das, Pubali; Samanta, Arnab; Dutta, Basudeb; Das, Mainak; Roy, Sourav; Sinha, Chittaranjan; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Regulating electrical conductivity and Schottky nature of d10 metal ion-based nanoarchitectonics in coordination polymers","CrystEngComm","2024","26","46","6618","6626","10.1039/D4CE00901K","","","0.71073","MoKα","","0.0286","0.0241","","","0.0609","0.064","","","","","","1.042","","","","has coordinates","296473","2024-12-06","17:40:19",""
"7249502","14.0131","0.0002","17.7473","0.0003","20.2507","0.0003","64.714","0.001","83.76","0.001","76.182","0.001","4421.79","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H36 I8 N8 Zn2 -","- C28 H36 I8 N8 Zn2 -","- C112 H144 I32 N32 Zn8 -","4","2","","Sharma, Preeti; Ahmad, Musheer; Haq, Nazrul; Siddiqui, Kafeel Ahmad","I3− entrapped cationic Zn(ii) coordination polymer: selective detection and dose-dependent photocatalytic degradation of roxithromycin","CrystEngComm","2024","26","45","6472","6485","10.1039/D4CE01006J","","x-ray","0.71073","MoKα","","0.12","0.0616","","","0.187","0.2349","","","","","","1.0275","","","","has coordinates","296489","2024-12-06","17:47:30",""
"7249503","12.7443","0.0004","12.7443","0.0004","7.1295","0.0004","90","","90","","90","","1157.95","0.08","99.99","0.1","99.99","0.1","","","","","","","","5","I 4","I 4","79","","","","- Cl Cs O24 Se8 V4 -","- Cl Cs O24 Se8 V4 -","- Cl2 Cs2 O48 Se16 V8 -","2","0.25","","Xiang, Wenya; Wang, Guozhao; Zhao, Zhiying; Cui, Meiyan; He, Zhangzhen","A new salt-inclusion compound CsCl·(VOSe2O5)4 showing nearly isolated spin-1/2 chain structure with a typical square lattice","CrystEngComm","2024","26","45","6392","6395","10.1039/D4CE00936C","","x-ray","0.71073","MoKα","","0.0481","0.0383","","","0.0796","0.0832","","","","","","0.952","","","","has coordinates","296492","2024-12-06","17:48:13",""
"7249504","6.2461","0.0002","18.7509","0.0005","19.0329","0.0004","90","","90","","90","","2229.13","0.1","120.01","0.1","120.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Cl Eu O12 -","- C18 H22 Cl Eu O12 -","- C72 H88 Cl4 Eu4 O48 -","4","1","","Wang, Xue-Ting; Lv, Fang-Wen; Qin, Hang; Dai, Xin-Tong; Jin, Shan; Zheng, Xiu-Ying","Amplified circularly polarized luminescence of chiral lanthanide-based chains through helical assembly","CrystEngComm","2024","26","47","6676","6682","10.1039/D4CE00957F","","x-ray","1.54184","CuKα","","0.0729","0.0693","","","0.1876","0.1933","","","","","","1.037","","","","has coordinates,has disorder","296481","2024-12-06","17:44:07",""
"7249505","18.7651","0.0008","18.9706","0.001","6.2102","0.0003","90","","90","","90","","2210.74","0.18","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Cl O12 Tb -","- C18 H22 Cl O12 Tb -","- C72 H88 Cl4 O48 Tb4 -","4","1","","Wang, Xue-Ting; Lv, Fang-Wen; Qin, Hang; Dai, Xin-Tong; Jin, Shan; Zheng, Xiu-Ying","Amplified circularly polarized luminescence of chiral lanthanide-based chains through helical assembly","CrystEngComm","2024","26","47","6676","6682","10.1039/D4CE00957F","","","1.54186","CuKα","","0.0496","0.0467","","","0.1178","0.1242","","","","","","1.065","","","","has coordinates,has disorder","296481","2024-12-06","17:44:07",""
"7249506","18.7948","0.0007","18.9335","0.0007","6.2122","0.0003","90","","90","","90","","2210.62","0.16","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Cl O12 Tb -","- C18 H22 Cl O12 Tb -","- C72 H88 Cl4 O48 Tb4 -","4","1","","Wang, Xue-Ting; Lv, Fang-Wen; Qin, Hang; Dai, Xin-Tong; Jin, Shan; Zheng, Xiu-Ying","Amplified circularly polarized luminescence of chiral lanthanide-based chains through helical assembly","CrystEngComm","2024","26","47","6676","6682","10.1039/D4CE00957F","","","1.54186","CuKα","","0.0467","0.0429","","","0.1119","0.1149","","","","","","1.034","","","","has coordinates,has disorder","296481","2024-12-06","17:44:07",""
"7249507","13.7229","0.0008","28.1271","0.0019","17.387","0.001","90","","99.673","0.005","90","","6615.7","0.7","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C69 H64 Cl Eu2 N4 O20.5 -","- C69 H64 Cl Eu2 N4 O20.5 -","- C276 H256 Cl4 Eu8 N16 O82 -","4","2","","Wang, Xue-Ting; Lv, Fang-Wen; Qin, Hang; Dai, Xin-Tong; Jin, Shan; Zheng, Xiu-Ying","Amplified circularly polarized luminescence of chiral lanthanide-based chains through helical assembly","CrystEngComm","2024","26","47","6676","6682","10.1039/D4CE00957F","","","1.54186","CuKα","","0.0656","0.0528","","","0.1188","0.1278","","","","","","1.073","","","","has coordinates","296481","2024-12-06","17:44:07",""
"7249508","13.6925","0.0002","28.1386","0.0004","17.4098","0.0002","90","","99.5968","0.0013","90","","6613.91","0.16","120","0.1","120","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C138 H128 Cl2 Eu4 N8 O41 -","- C138 H128 Cl2 Eu4 N8 O41 -","- C276 H256 Cl4 Eu8 N16 O82 -","2","1","","Wang, Xue-Ting; Lv, Fang-Wen; Qin, Hang; Dai, Xin-Tong; Jin, Shan; Zheng, Xiu-Ying","Amplified circularly polarized luminescence of chiral lanthanide-based chains through helical assembly","CrystEngComm","2024","26","47","6676","6682","10.1039/D4CE00957F","","x-ray","1.54184","CuKα","","0.0897","0.0727","","","0.1823","0.2058","","","","","","1.028","","","","has coordinates","296481","2024-12-06","17:44:07",""
"7249509","13.6917","0.0007","28.115","0.0014","17.3468","0.0009","90","","99.903","0.004","90","","6578","0.6","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C69 H64 Cl N4 O20.5 Tb2 -","- C69 H64 Cl N4 O20.5 Tb2 -","- C276 H256 Cl4 N16 O82 Tb8 -","4","2","","Wang, Xue-Ting; Lv, Fang-Wen; Qin, Hang; Dai, Xin-Tong; Jin, Shan; Zheng, Xiu-Ying","Amplified circularly polarized luminescence of chiral lanthanide-based chains through helical assembly","CrystEngComm","2024","26","47","6676","6682","10.1039/D4CE00957F","","","1.54186","CuKα","","0.1053","0.088","","","0.2205","0.2318","","","","","","1.125","","","","has coordinates","296481","2024-12-06","17:44:07",""
"7249510","13.7334","0.0005","28.0916","0.0007","17.3794","0.0006","90","","99.823","0.003","90","","6606.6","0.4","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C69 H64 Cl N4 O20.5 Tb2 -","- C69 H64 Cl N4 O20.5 Tb2 -","- C276 H256 Cl4 N16 O82 Tb8 -","4","2","","Wang, Xue-Ting; Lv, Fang-Wen; Qin, Hang; Dai, Xin-Tong; Jin, Shan; Zheng, Xiu-Ying","Amplified circularly polarized luminescence of chiral lanthanide-based chains through helical assembly","CrystEngComm","2024","26","47","6676","6682","10.1039/D4CE00957F","","","1.54186","CuKα","","0.1152","0.0815","","","0.1966","0.2268","","","","","","1.014","","","","has coordinates","296481","2024-12-06","17:44:07",""
"7249511","18.7671","0.0004","19.0219","0.0003","6.2535","0.0001","90","","90","","90","","2232.41","0.07","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Cl Eu O12 -","- C18 H22 Cl Eu O12 -","- C72 H88 Cl4 Eu4 O48 -","4","1","","Wang, Xue-Ting; Lv, Fang-Wen; Qin, Hang; Dai, Xin-Tong; Jin, Shan; Zheng, Xiu-Ying","Amplified circularly polarized luminescence of chiral lanthanide-based chains through helical assembly","CrystEngComm","2024","26","47","6676","6682","10.1039/D4CE00957F","","","1.54186","CuKα","","0.0284","0.0252","","","0.0575","0.0592","","","","","","1.047","","","","has coordinates,has disorder","296481","2024-12-06","17:44:07",""
"7249512","8.0608","0.0009","13.3977","0.0014","11.7569","0.0014","90","","91.241","0.006","90","","1269.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Mn N2 O6 -","- C26 H28 Mn N2 O6 -","- C52 H56 Mn2 N4 O12 -","2","0.5","","Kamin, Ashlyn A.; Brannan, E. J.; Snook, Kathleen M.; Krajewski, Sebastian; Gannon, Paige M.; Kaminsky, Werner; Xiao, Dianne J.","Solvation and oxidation effects on the crystal structure and morphology of tetraoxolene-based materials","CrystEngComm","2024","26","45","6396","6402","10.1039/D4CE00921E","","x-ray","0.71073","MoKα","","0.1057","0.0479","","","0.0963","0.1153","","","","","","0.976","","","","has coordinates,has disorder","296490","2024-12-06","17:47:41",""
"7249513","10.1118","0.0012","10.1118","0.0012","18.832","0.003","90","","90","","120","","1667.6","0.4","100","2","100","2","","","","","","","","5","P 31","P 31","144","","","","- C24 H24 Mn N2 O6 -","- C24 H24 Mn N2 O6 -","- C72 H72 Mn3 N6 O18 -","3","1","","Kamin, Ashlyn A.; Brannan, E. J.; Snook, Kathleen M.; Krajewski, Sebastian; Gannon, Paige M.; Kaminsky, Werner; Xiao, Dianne J.","Solvation and oxidation effects on the crystal structure and morphology of tetraoxolene-based materials","CrystEngComm","2024","26","45","6396","6402","10.1039/D4CE00921E","","x-ray","0.7288","synchrotron","","0.0403","0.0374","","","0.0982","0.1001","","","","","","1.073","","","","has coordinates","296490","2024-12-06","17:47:41",""
"7249514","10.4589","0.0017","12.0484","0.0019","12.74","0.002","93.854","0.008","113.574","0.008","91.387","0.008","1465.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H31 N4 Nd O10 -","- C27 H31 N4 Nd O10 -","- C54 H62 N8 Nd2 O20 -","2","1","","Kamin, Ashlyn A.; Brannan, E. J.; Snook, Kathleen M.; Krajewski, Sebastian; Gannon, Paige M.; Kaminsky, Werner; Xiao, Dianne J.","Solvation and oxidation effects on the crystal structure and morphology of tetraoxolene-based materials","CrystEngComm","2024","26","45","6396","6402","10.1039/D4CE00921E","","x-ray","0.71073","MoKα","","0.0213","0.019","","","0.0448","0.0457","","","","","","1.046","","","","has coordinates,has disorder","296490","2024-12-06","17:47:41",""
"7249515","12.033","0.006","14.668","0.007","27.099","0.012","81.48","0.02","88.19","0.02","69.49","0.02","4429","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H102 N10 Nd2 O23 -","- C84 H102 N10 Nd2 O23 -","- C168 H204 N20 Nd4 O46 -","2","1","","Kamin, Ashlyn A.; Brannan, E. J.; Snook, Kathleen M.; Krajewski, Sebastian; Gannon, Paige M.; Kaminsky, Werner; Xiao, Dianne J.","Solvation and oxidation effects on the crystal structure and morphology of tetraoxolene-based materials","CrystEngComm","2024","26","45","6396","6402","10.1039/D4CE00921E","","x-ray","0.7288","synchrotron","","0.1301","0.0903","","","0.2262","0.2547","","","","","","0.977","","","","has coordinates,has disorder","296490","2024-12-06","17:47:41",""
"7249516","7.7958","0.0004","6.4753","0.0003","22.4577","0.0012","90","","90.521","0.002","90","","1133.62","0.1","273.15","","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 Br Cl N5 O2 -","- C8 H9 Br Cl N5 O2 -","- C32 H36 Br4 Cl4 N20 O8 -","4","1","","Naskar, Shibu; Mal, Susital; Shivangi, Shivangi; Das, Subrata","A rapid and scalable method for visible light induced bromination of uracil derivatives in a falling film looping photoreactor","RSC Advances","2024","14","47","34925","34937","10.1039/D4RA05774K","","","0.71073","MoKα","","0.0381","0.0376","","","0.1051","0.1056","","","","","","1.156","","","","has coordinates","295725","2024-11-02","02:03:46",""
"7249517","4.6708","0.0005","15.134","0.001","13.5776","0.0008","90","","92.765","0.007","90","","958.65","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 Br Cl N2 O2 -","- C7 H8 Br Cl N2 O2 -","- C28 H32 Br4 Cl4 N8 O8 -","4","1","","Naskar, Shibu; Mal, Susital; Shivangi, Shivangi; Das, Subrata","A rapid and scalable method for visible light induced bromination of uracil derivatives in a falling film looping photoreactor","RSC Advances","2024","14","47","34925","34937","10.1039/D4RA05774K","","x-ray","0.71073","MoKα","","0.0787","0.047","","","0.0944","0.1076","","","","","","1.004","","","","has coordinates","295725","2024-11-02","02:03:47",""
"7249518","10.9173","0.0007","8.5748","0.0004","8.1733","0.0005","90","","109.345","0.007","90","","721.93","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H4 Br Cl N2 O2 -","- C5 H4 Br Cl N2 O2 -","- C20 H16 Br4 Cl4 N8 O8 -","4","1","","Naskar, Shibu; Mal, Susital; Shivangi, Shivangi; Das, Subrata","A rapid and scalable method for visible light induced bromination of uracil derivatives in a falling film looping photoreactor","RSC Advances","2024","14","47","34925","34937","10.1039/D4RA05774K","","x-ray","0.71073","MoKα","","0.0427","0.0416","","","0.1014","0.1034","","","","","","1.096","","","","has coordinates","295725","2024-11-02","02:03:47",""
"7249519","37.8579","0.0008","9.9633","0.0001","28.307","0.0006","90","","109.014","0.002","90","","10094.6","0.3","220","80","220","80","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H40 Cd N7 O11 S -","- C32 H22 Cd N5 O9 S -","- C256 H176 Cd8 N40 O72 S8 -","8","1","","Rani, Nitu; Bhasin, Aman K. K.; Husain, Ahmad; Kumari, Annu; Verma, Reshu; Bhasin, K. K.; Kumar, Girijesh","Sulfur-hinged L-shaped ligand-based Cd(ii)–organic framework: a fluorescent tool for targeting environmental nitroaromatics","CrystEngComm","2024","26","47","6719","6728","10.1039/D4CE01050G","","x-ray","0.71073","MoKα","","0.0546","0.0412","","","0.1228","0.1367","","","","","","1.071","","","","has coordinates","296477","2024-12-06","17:41:38",""
"7249520","9.3689","0.0003","12.8121","0.0003","18.4744","0.0003","98.161","0.002","90.769","0.002","111.088","0.002","2043.11","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 N4 O2 S -","- C24 H18 N4 O2 S -","- C96 H72 N16 O8 S4 -","4","2","","Rani, Nitu; Bhasin, Aman K. K.; Husain, Ahmad; Kumari, Annu; Verma, Reshu; Bhasin, K. K.; Kumar, Girijesh","Sulfur-hinged L-shaped ligand-based Cd(ii)–organic framework: a fluorescent tool for targeting environmental nitroaromatics","CrystEngComm","2024","26","47","6719","6728","10.1039/D4CE01050G","","x-ray","0.71073","MoKα","","0.0825","0.0519","","","0.1276","0.1423","","","","","","1.118","","","","has coordinates","296477","2024-12-06","17:41:38",""
"7249521","9.8129","0.0002","13.7036","0.0003","22.6169","0.0004","97.7991","0.001","100.633","0.001","105.398","0.0009","2826.55","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H46 Cl N17 O5 S3 Zn3 -","- C51 H46 Cl N17 O5 S3 Zn3 -","- C102 H92 Cl2 N34 O10 S6 Zn6 -","2","1","","Zhang, Guoqiang; Pan, Rongkai; Liu, Shenggui; Chen, Huihui","Synthesis, crystal structures and luminescence properties of Zn(ii) and Cd(ii) coordination compounds assembled from flexible bis(quinolyl) ligands with symmetrical spacers: the influence of coordinated anions","CrystEngComm","2024","26","46","6627","6639","10.1039/D4CE00768A","","","1.54178","CuKα","","0.0524","0.0484","","","0.1447","0.1478","","","","","","1.0418","","","","has coordinates","296471","2024-12-06","17:39:38",""
"7249522","11.0646","0.0014","11.8428","0.0015","12.9025","0.0015","110.603","0.011","97.125","0.01","101.299","0.011","1517.2","0.4","170","","170","","","","","","","","","7","P -1","-P 1","2","","","","- C51 H57 Cl4 N15 O7 S2 Zn4 -","- C51 H57 Cl4 N15 O7 S2 Zn4 -","- C51 H57 Cl4 N15 O7 S2 Zn4 -","1","0.5","","Zhang, Guoqiang; Pan, Rongkai; Liu, Shenggui; Chen, Huihui","Synthesis, crystal structures and luminescence properties of Zn(ii) and Cd(ii) coordination compounds assembled from flexible bis(quinolyl) ligands with symmetrical spacers: the influence of coordinated anions","CrystEngComm","2024","26","46","6627","6639","10.1039/D4CE00768A","","x-ray","0.71073","MoKα","","0.1652","0.0821","","","0.1504","0.1909","","","","","","1.014","","","","has coordinates,has disorder","296471","2024-12-06","17:39:38",""
"7249523","12.5273","0.0011","13.4647","0.0017","13.625","0.002","60.806","0.015","67.338","0.012","81.515","0.009","1849.1","0.5","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H31.5 Cd2 I3 N8 O4.25 -","- C27 H31.5 Cd2 I3 N8 O4.25 -","- C54 H63 Cd4 I6 N16 O8.5 -","2","1","","Zhang, Guoqiang; Pan, Rongkai; Liu, Shenggui; Chen, Huihui","Synthesis, crystal structures and luminescence properties of Zn(ii) and Cd(ii) coordination compounds assembled from flexible bis(quinolyl) ligands with symmetrical spacers: the influence of coordinated anions","CrystEngComm","2024","26","46","6627","6639","10.1039/D4CE00768A","","","0.71073","MoKα","","0.1261","0.0647","","","0.1075","0.1359","","","","","","1.024","","","","has coordinates,has disorder","296471","2024-12-06","17:39:38",""
"7249524","9.9962","0.0009","17.1239","0.0015","18.0077","0.0015","88.751","0.007","80.7","0.007","86.179","0.007","3035","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H51 Cl N18 O3 S5 Zn3 -","- C54 H51 Cl N18 O3 S5 Zn3 -","- C108 H102 Cl2 N36 O6 S10 Zn6 -","2","1","","Zhang, Guoqiang; Pan, Rongkai; Liu, Shenggui; Chen, Huihui","Synthesis, crystal structures and luminescence properties of Zn(ii) and Cd(ii) coordination compounds assembled from flexible bis(quinolyl) ligands with symmetrical spacers: the influence of coordinated anions","CrystEngComm","2024","26","46","6627","6639","10.1039/D4CE00768A","","","1.54178","CuKα","","0.1281","0.0675","","","0.1595","0.1927","","","","","","0.992","","","","has coordinates","296471","2024-12-06","17:39:38",""
"7249525","11.0324","0.0002","11.5939","0.0002","11.6322","0.0002","87.6516","0.0012","64.7318","0.001","75.0133","0.0011","1295.62","0.04","158","2","158","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H48 Cl3.8 I0.2 N12 O12 Zn4 -","- C42 H48 Cl3.7986 I0.2014 N12 O12 Zn4 -","- C42 H48 Cl3.7986 I0.2014 N12 O12 Zn4 -","1","0.5","","Zhang, Guoqiang; Pan, Rongkai; Liu, Shenggui; Chen, Huihui","Synthesis, crystal structures and luminescence properties of Zn(ii) and Cd(ii) coordination compounds assembled from flexible bis(quinolyl) ligands with symmetrical spacers: the influence of coordinated anions","CrystEngComm","2024","26","46","6627","6639","10.1039/D4CE00768A","","","1.54178","CuKα","","0.0324","0.0267","","","0.0642","0.0664","","","","","","1.06","","","","has coordinates,has disorder","296471","2024-12-06","17:39:38",""
"7249526","13.4958","0.0005","13.0911","0.0006","18.1432","0.001","90","","105.152","0.005","90","","3094","0.3","170","0.1","170","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H44 Cd4 I6 N14 O2 S2 -","- C48 H44 Cd4 I6 N14 O2 S2 -","- C96 H88 Cd8 I12 N28 O4 S4 -","2","0.5","","Zhang, Guoqiang; Pan, Rongkai; Liu, Shenggui; Chen, Huihui","Synthesis, crystal structures and luminescence properties of Zn(ii) and Cd(ii) coordination compounds assembled from flexible bis(quinolyl) ligands with symmetrical spacers: the influence of coordinated anions","CrystEngComm","2024","26","46","6627","6639","10.1039/D4CE00768A","","","0.71073","MoKα","","0.0932","0.0553","","","0.0823","0.0938","","","","","","1.071","","","","has coordinates,has disorder","296471","2024-12-06","17:39:38",""
"7249527","13.6636","0.0005","23.7116","0.0011","18.948","0.0009","90","","100.645","0.0014","90","","6033.2","0.5","302","0.1","302","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H55 Cl4 N15 O5 S2 Zn3 -","- C51 H55 Cl4 N15 O5 S2 Zn3 -","- C204 H220 Cl16 N60 O20 S8 Zn12 -","4","1","","Zhang, Guoqiang; Pan, Rongkai; Liu, Shenggui; Chen, Huihui","Synthesis, crystal structures and luminescence properties of Zn(ii) and Cd(ii) coordination compounds assembled from flexible bis(quinolyl) ligands with symmetrical spacers: the influence of coordinated anions","CrystEngComm","2024","26","46","6627","6639","10.1039/D4CE00768A","","x-ray","0.71073","MoKα","","0.1024","0.0506","","","0.097","0.1235","","","","","","1.024","","","","has coordinates,has disorder","296471","2024-12-06","17:39:38",""
"7249528","9.5427","0.0002","20.9229","0.0005","12.6458","0.0004","90","","93.541","0.003","90","","2520.05","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C61 H50 Eu N3 O6 -","- C61 H50 Eu N3 O6 -","- C122 H100 Eu2 N6 O12 -","2","1","","Zhang, Jinliang; Zhang, Zhiqiang; Gao, Congli; Li, Xi-Li","Two chiral EuIII and SmIII enantiomeric pairs with enantiopure N-donor ligands: showing strong third-harmonic generation and photoluminescence properties","CrystEngComm","2024","26","47","6757","6764","10.1039/D4CE01052C","","","0.71073","MoKα","","0.0431","0.0353","","","0.0639","0.0667","","","","","","1.015","","","","has coordinates","296483","2024-12-06","17:44:59",""
"7249529","9.5481","0.0002","20.9561","0.0004","12.6388","0.0004","90","","93.576","0.002","90","","2523.99","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C61 H50 N3 O6 Sm -","- C61 H50 N3 O6 Sm -","- C122 H100 N6 O12 Sm2 -","2","1","","Zhang, Jinliang; Zhang, Zhiqiang; Gao, Congli; Li, Xi-Li","Two chiral EuIII and SmIII enantiomeric pairs with enantiopure N-donor ligands: showing strong third-harmonic generation and photoluminescence properties","CrystEngComm","2024","26","47","6757","6764","10.1039/D4CE01052C","","","1.54178","CuKα","","0.0552","0.0491","","","0.1275","0.1346","","","","","","1.057","","","","has coordinates","296483","2024-12-06","17:45:00",""
"7249530","9.5536","0.0009","20.8906","0.0012","12.6394","0.001","90","","93.363","0.009","90","","2518.2","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C61 H50 Eu N3 O6 -","- C61 H50 Eu N3 O6 -","- C122 H100 Eu2 N6 O12 -","2","1","","Zhang, Jinliang; Zhang, Zhiqiang; Gao, Congli; Li, Xi-Li","Two chiral EuIII and SmIII enantiomeric pairs with enantiopure N-donor ligands: showing strong third-harmonic generation and photoluminescence properties","CrystEngComm","2024","26","47","6757","6764","10.1039/D4CE01052C","","","0.71073","MoKα","","0.1146","0.0824","","","0.1527","0.1748","","","","","","1.048","","","","has coordinates","296483","2024-12-06","17:45:00",""
"7249531","9.552","0.0002","20.9501","0.0005","12.6405","0.0003","90","","93.56","0.002","90","","2524.68","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C61 H50 N3 O6 Sm -","- C61 H50 N3 O6 Sm -","- C122 H100 N6 O12 Sm2 -","2","1","","Zhang, Jinliang; Zhang, Zhiqiang; Gao, Congli; Li, Xi-Li","Two chiral EuIII and SmIII enantiomeric pairs with enantiopure N-donor ligands: showing strong third-harmonic generation and photoluminescence properties","CrystEngComm","2024","26","47","6757","6764","10.1039/D4CE01052C","","","1.54178","CuKα","","0.0882","0.0833","","","0.2166","0.2257","","","","","","1.062","","","","has coordinates","296483","2024-12-06","17:45:00",""
"7249532","15.637","0.008","15.719","0.005","15.754","0.006","60.328","0.011","65.25","0.04","82.83","0.03","3039","2","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H102 N6 O50 P8 V12 -","- C70 H102 N6 O50 P8 V12 -","- C70 H102 N6 O50 P8 V12 -","1","0.5","","Huang, Li; Yang, Yufan; Yu, Xiaoyang; Li, Xiaonan; Shen, Yuan; Song, Runhong; Zhang, Hong","Two polyoxovanadates for visible light driven photocatalytic performance","CrystEngComm","2024","26","43","6226","6234","10.1039/D4CE00494A","","","1.54178","CuKα","","0.1224","0.0763","","","0.1951","0.2208","","","","","","1.034","","","","has coordinates","295759","2024-11-04","14:37:49",""
"7249533","21.11","0.004","25.413","0.004","26.005","0.005","90","","90.082","0.006","90","","13951","4","295","2","294.85","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H104 N8 O56 P8 V16 -","- C63.9998 H103.999 N7.9999 O56 P8 V16 -","- C255.999 H415.997 N31.9996 O224 P32 V64 -","4","1","","Huang, Li; Yang, Yufan; Yu, Xiaoyang; Li, Xiaonan; Shen, Yuan; Song, Runhong; Zhang, Hong","Two polyoxovanadates for visible light driven photocatalytic performance","CrystEngComm","2024","26","43","6226","6234","10.1039/D4CE00494A","","","0.71073","MoKα","","0.1338","0.0804","","","0.2105","0.2472","","","","","","1.039","","","","has coordinates","295759","2024-11-04","14:37:50",""
"7249534","6.648","0.0006","7.4057","0.0005","7.122","0.0007","90","","113.802","0.011","90","","320.81","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C5 H4 K N5 -","- C5 H4 K N5 -","- C10 H8 K2 N10 -","2","1","","Kaur, Sarabjeet; Harvey, Jeremy; Van Meervelt, Luc; Kirschhock, Christine","Crystal structures of potassium and cesium salts of adenine: the role of alkali cations.","CrystEngComm","2024","","","","","10.1039/D4CE00892H","","x-ray","0.71073","MoKα","","0.0265","0.0244","","","0.0644","0.065","","","","","","1.064","","","","has coordinates","295762","2024-11-04","23:27:37",""
"7249535","12.7149","0.0008","11.1762","0.0008","10.8144","0.0009","90","","90","","90","","1536.77","0.19","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C5 H4 Cs N5 -","- C5 H4 Cs N5 -","- C40 H32 Cs8 N40 -","8","1","","Kaur, Sarabjeet; Harvey, Jeremy; Van Meervelt, Luc; Kirschhock, Christine","Crystal structures of potassium and cesium salts of adenine: the role of alkali cations.","CrystEngComm","2024","","","","","10.1039/D4CE00892H","","x-ray","0.71073","MoKα","","0.0625","0.0551","","","0.1358","0.1415","","","","","","1.113","","","","has coordinates","295762","2024-11-04","23:27:38",""
"7249536","4.7062","0.0004","23.5001","0.0018","6.3164","0.0005","90","","107.641","0.001","90","","665.72","0.09","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-Benzylsulfinyl-1-methyl-1H-benzo[d]imidazole","","- C15 H14 N2 O S -","- C15 H14 N2 O S -","- C30 H28 N4 O2 S2 -","2","1","","Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo","Investigation of the titanium-mediated catalytic enantioselective oxidation of aryl benzyl sulfides containing heterocyclic groups","RSC Advances","2024","14","47","35105","35113","10.1039/D4RA07088G","","","0.71073","MoKα","","0.0481","0.0446","","","0.1116","0.1142","","","","","","1.094","","","","has coordinates","295771","2024-11-05","02:06:41",""
"7249537","8.188","0.0004","7.0323","0.0004","12.3527","0.0007","90","","102.82","0.03","90","","693.54","0.11","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(2,3,4,5,6-pentafluorobenzylsulfinyl)-1H-benzo[d]imidazole","","- C14 H7 F5 N2 O S -","- C14 H7 F5 N2 O S -","- C28 H14 F10 N4 O2 S2 -","2","1","","Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo","Investigation of the titanium-mediated catalytic enantioselective oxidation of aryl benzyl sulfides containing heterocyclic groups","RSC Advances","2024","14","47","35105","35113","10.1039/D4RA07088G","","","0.71073","MoKα","","0.0361","0.0351","","","0.0965","0.0976","","","","","","1.056","","","","has coordinates","295771","2024-11-05","02:06:53",""
"7249538","5.4947","0.0011","9.2154","0.0018","23.473","0.005","90","","90","","90","","1188.6","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(2,3,4,5,6-pentafluorobenzylsulfinyl)thiophene","","- C11 H5 F5 O S2 -","- C11 H5 F5 O S2 -","- C44 H20 F20 O4 S8 -","4","1","","Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo","Investigation of the titanium-mediated catalytic enantioselective oxidation of aryl benzyl sulfides containing heterocyclic groups","RSC Advances","2024","14","47","35105","35113","10.1039/D4RA07088G","","","0.71073","MoKα","","0.042","0.0407","","","0.1218","0.1236","","","","","","1.078","","","","has coordinates","295771","2024-11-05","02:06:56",""
"7249539","13.2625","0.001","13.2625","0.001","12.4674","0.001","90","","90","","120","","1899.1","0.3","296","2","296","2","","","","","","","","5","P 64","P 64","172","","Benzylsulfinyl-1H-benzo[d]imidazole","","- C14 H12 N2 O S -","- C14 H12 N2 O S -","- C84 H72 N12 O6 S6 -","6","1","","Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo","Investigation of the titanium-mediated catalytic enantioselective oxidation of aryl benzyl sulfides containing heterocyclic groups","RSC Advances","2024","14","47","35105","35113","10.1039/D4RA07088G","","","0.71073","MoKα","","0.1141","0.0659","","","0.0907","0.1026","","","","","","1.096","","","","has coordinates","295771","2024-11-05","02:06:57",""
"7249540","8.239","0.002","20.45","0.004","6.036","0.001","90","","90","","90","","1017","0.4","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C14 H11 N -","- C14 H11 N -","- C56 H44 N4 -","4","0.5","","Giunchi, Andrea; Pandolfi, Lorenzo; Della Valle, Raffaele G.; Salzillo, Tommaso; Venuti, Elisabetta; Demitri, Nicola; Riegler, Hans; Petschacher, Christina; Liu, Jie; Werzer, Oliver","Structural properties and lattice phonons evolution in phenothiazine/iminostilbene solid solutions","CrystEngComm","2024","26","46","6573","6584","10.1039/D4CE00605D","","","0.7","Synchrotron","","0.0581","0.0537","","","0.1493","0.1579","","","","","","1.055","","","","has coordinates","296475","2024-12-06","17:41:03",""
"7249541","7.923","0.002","20.978","0.004","5.897","0.001","90","","90","","90","","980.1","0.4","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H9 N S -","- C12 H9 N S -","- C48 H36 N4 S4 -","4","0.5","","Giunchi, Andrea; Pandolfi, Lorenzo; Della Valle, Raffaele G.; Salzillo, Tommaso; Venuti, Elisabetta; Demitri, Nicola; Riegler, Hans; Petschacher, Christina; Liu, Jie; Werzer, Oliver","Structural properties and lattice phonons evolution in phenothiazine/iminostilbene solid solutions","CrystEngComm","2024","26","46","6573","6584","10.1039/D4CE00605D","","","0.7","Synchrotron","","0.0655","0.0427","","","0.1229","0.1403","","","","","","1.016","","","","has coordinates","296475","2024-12-06","17:41:05",""
"7249542","5.825","0.001","7.79","0.002","20.775","0.004","90","","95.03","0.03","90","","939.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 N S -","- C12 H9 N S -","- C48 H36 N4 S4 -","4","1","","Giunchi, Andrea; Pandolfi, Lorenzo; Della Valle, Raffaele G.; Salzillo, Tommaso; Venuti, Elisabetta; Demitri, Nicola; Riegler, Hans; Petschacher, Christina; Liu, Jie; Werzer, Oliver","Structural properties and lattice phonons evolution in phenothiazine/iminostilbene solid solutions","CrystEngComm","2024","26","46","6573","6584","10.1039/D4CE00605D","","","0.7","Synchrotron","","0.0593","0.0555","","","0.1724","0.1758","","","","","","1.048","","","","has coordinates","296475","2024-12-06","17:41:05",""
"7249543","7.959","0.002","20.594","0.004","5.977","0.001","90","","90","","90","","979.7","0.4","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C13.28 H10.28 N S0.36 -","- C13.28 H10.28 N S0.36 -","- C53.12 H41.12 N4 S1.44 -","4","0.5","","Giunchi, Andrea; Pandolfi, Lorenzo; Della Valle, Raffaele G.; Salzillo, Tommaso; Venuti, Elisabetta; Demitri, Nicola; Riegler, Hans; Petschacher, Christina; Liu, Jie; Werzer, Oliver","Structural properties and lattice phonons evolution in phenothiazine/iminostilbene solid solutions","CrystEngComm","2024","26","46","6573","6584","10.1039/D4CE00605D","","","0.7","Synchrotron","","0.1094","0.0636","","","0.1738","0.207","","","","","","1.023","","","","has coordinates,has disorder","296475","2024-12-06","17:41:05",""
"7249544","8.169","0.002","20.915","0.004","6.053","0.001","90","","90","","90","","1034.2","0.4","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C13.36 H10.36 N S0.32 -","- C13.36 H10.36 N S0.32 -","- C53.44 H41.44 N4 S1.28 -","4","0.5","","Giunchi, Andrea; Pandolfi, Lorenzo; Della Valle, Raffaele G.; Salzillo, Tommaso; Venuti, Elisabetta; Demitri, Nicola; Riegler, Hans; Petschacher, Christina; Liu, Jie; Werzer, Oliver","Structural properties and lattice phonons evolution in phenothiazine/iminostilbene solid solutions","CrystEngComm","2024","26","46","6573","6584","10.1039/D4CE00605D","","","0.7","Synchrotron","","0.1886","0.1205","","","0.271","0.3268","","","","","","1.003","","","","has coordinates,has disorder","296475","2024-12-06","17:41:05",""
"7249545","8.081","0.002","20.137","0.004","6.033","0.001","90","","90","","90","","981.7","0.4","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C14 H11 N -","- C14 H11 N -","- C56 H44 N4 -","4","0.5","","Giunchi, Andrea; Pandolfi, Lorenzo; Della Valle, Raffaele G.; Salzillo, Tommaso; Venuti, Elisabetta; Demitri, Nicola; Riegler, Hans; Petschacher, Christina; Liu, Jie; Werzer, Oliver","Structural properties and lattice phonons evolution in phenothiazine/iminostilbene solid solutions","CrystEngComm","2024","26","46","6573","6584","10.1039/D4CE00605D","","","0.7","Synchrotron","","0.0553","0.0468","","","0.1181","0.1243","","","","","","1.043","","","","has coordinates","296475","2024-12-06","17:41:05",""
"7249546","12.909","0.002","10.4158","0.0018","15.096","0.003","90","","96.127","0.002","90","","2018.2","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O6 S2 -","- C18 H18 N2 O6 S2 -","- C72 H72 N8 O24 S8 -","4","1","","Yang, Li-Hua; Li, Bei; Chen, Lin; Yao, Wen-Shi; Peng, Han-Yue; Peng, Sha; Xie, Long-Yong","Ball Milling-Promoting Difunctionalizaiton of Alkynyl Sulfonium Salts with Sulfinic Acids towards (Z)-1,2-Disulfonylethenes","Green Chemistry","2024","","","","","10.1039/D4GC04895D","","","0.71073","MOKα","","0.0747","0.0483","","","0.1209","0.1368","","","","","","1.023","","","","has coordinates","295788","2024-11-06","00:39:29",""
"7249547","12.7872","0.0006","14.4008","0.0007","15.0129","0.0007","90","","111.431","0.002","90","","2573.4","0.2","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N4 O6 S -","- C29 H24 N4 O6 S -","- C116 H96 N16 O24 S4 -","4","1","","Shen, Yao-Bin; Zhuang, Qian-Hao; Wang, Xiao-Lin; An, Xiao-De; Qiu, Bin; Shi, Tiesheng; Xiao, Jian","EtOH-mediated cascade C(sp3)–H alkylation via aromatization-driven [1,6]-hydride transfer: green and divergent synthesis of spirocyclic azepino[4,3,2-cd]indoles","Green Chemistry","2024","","","","","10.1039/D4GC04534C","","","0.71073","MoKα","","0.0947","0.0541","","","0.1408","0.1528","","","","","","1.043","","","","has coordinates","295789","2024-11-06","00:40:02",""
"7249548","13.5403","0.0017","19.974","0.002","9.3867","0.0011","90","","108.212","0.003","90","","2411.5","0.5","303","2","303","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N2 O3 S2 -","- C28 H24 N2 O3 S2 -","- C112 H96 N8 O12 S8 -","4","1","","Shen, Yao-Bin; Zhuang, Qian-Hao; Wang, Xiao-Lin; An, Xiao-De; Qiu, Bin; Shi, Tiesheng; Xiao, Jian","EtOH-mediated cascade C(sp3)–H alkylation via aromatization-driven [1,6]-hydride transfer: green and divergent synthesis of spirocyclic azepino[4,3,2-cd]indoles","Green Chemistry","2024","","","","","10.1039/D4GC04534C","","","0.71073","MoKα","","0.1176","0.07","","","0.1205","0.1424","","","","","","1.161","","","","has coordinates","295789","2024-11-06","00:40:04",""
"7249549","24.189","0.004","8.6185","0.0015","11.782","0.002","90","","103.147","0.005","90","","2391.8","0.7","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N2 O3 S2 -","- C28 H24 N2 O3 S2 -","- C112 H96 N8 O12 S8 -","4","1","","Shen, Yao-Bin; Zhuang, Qian-Hao; Wang, Xiao-Lin; An, Xiao-De; Qiu, Bin; Shi, Tiesheng; Xiao, Jian","EtOH-mediated cascade C(sp3)–H alkylation via aromatization-driven [1,6]-hydride transfer: green and divergent synthesis of spirocyclic azepino[4,3,2-cd]indoles","Green Chemistry","2024","","","","","10.1039/D4GC04534C","","","0.71073","MoKα","","0.1782","0.0952","","","0.1487","0.1835","","","","","","1.099","","","","has coordinates","295789","2024-11-06","00:40:04",""
"7249550","11.497","0.0008","12.2004","0.0008","12.3148","0.0008","78.604","0.002","66.263","0.002","73.732","0.002","1510.84","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H29 Br N4 O3 S -","- C35 H29 Br N4 O3 S -","- C70 H58 Br2 N8 O6 S2 -","2","1","","Shen, Yao-Bin; Zhuang, Qian-Hao; Wang, Xiao-Lin; An, Xiao-De; Qiu, Bin; Shi, Tiesheng; Xiao, Jian","EtOH-mediated cascade C(sp3)–H alkylation via aromatization-driven [1,6]-hydride transfer: green and divergent synthesis of spirocyclic azepino[4,3,2-cd]indoles","Green Chemistry","2024","","","","","10.1039/D4GC04534C","","","0.71073","MoKα","","0.0762","0.0502","","","0.1216","0.1324","","","","","","1.046","","","","has coordinates,has disorder","295789","2024-11-06","00:40:04",""
"7249551","17.9401","0.0007","11.5274","0.0005","18.6602","0.0007","90","","109.066","0.0012","90","","3647.3","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H36 N2 O15 Tb2 -","- C34 H36 N2 O15 Tb2 -","- C136 H144 N8 O60 Tb8 -","4","0.5","","Liu, Ching-Ping; Lin, Ting-En; Chiang, Jung-Chang; Chen, Bo-Jhen; Chien, Po-Hsiu; Chien, Su-Ying; Lee, Gene-Hsiang; Liu, Yen-Hsiang; Lu, Kuang-Lieh","An exceptional water stable terbium-based metal–organic framework for selective detection of pesticides","RSC Advances","2024","14","47","35220","35226","10.1039/D4RA06622G","","","0.71073","MoKα","","0.0347","0.0307","","","0.0711","0.0738","","","","","","1.279","","","","has coordinates,has disorder","295790","2024-11-06","02:16:59",""
"7249552","6.46278","0.00008","14.69136","0.00016","7.1434","0.00007","90","","91.2107","0.001","90","","678.093","0.013","293","","293","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H16 Cl4 N2 Zn -","- C6 H16 Cl4 N2 Zn -","- C12 H32 Cl8 N4 Zn2 -","2","0.5","","Zhang, Jie; Ma, Yu-Xin; Wu, Ming; He, Qing; Chen, Shuya; Ju, Ping; He, Yuan-Chun; Lei, Xiaowu","Zero-dimensional organic–inorganic hybrid zinc halide with stable broadband blue light emissions","CrystEngComm","2024","26","46","6585","6590","10.1039/D4CE00841C","","x-ray","1.54184","CuKα","","0.0805","0.0791","","","0.2406","0.2427","","","","","","1.151","","","","has coordinates","296474","2024-12-06","17:40:43",""
"7249553","11.5162","0.0008","9.6416","0.0006","23.7933","0.0015","90","","90","","90","","2641.9","0.3","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H16 Cl4 N2 Zn -","- C6 H16 Cl4 N2 Zn -","- C48 H128 Cl32 N16 Zn8 -","8","1","","Zhang, Jie; Ma, Yu-Xin; Wu, Ming; He, Qing; Chen, Shuya; Ju, Ping; He, Yuan-Chun; Lei, Xiaowu","Zero-dimensional organic–inorganic hybrid zinc halide with stable broadband blue light emissions","CrystEngComm","2024","26","46","6585","6590","10.1039/D4CE00841C","","","0.71073","MoKα","","0.0293","0.0238","","","0.0535","0.0557","","","","","","1.05","","","","has coordinates","296474","2024-12-06","17:40:43",""
"7249554","6.6474","0.0005","14.8298","0.0011","21.9069","0.0019","90","","94.637","0.003","90","","2152.5","0.3","273.15","","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H28 Br6 N4 Zn -","- C10 H28 Br6 N4 Zn -","- C40 H112 Br24 N16 Zn4 -","4","1","","Zhang, Jie; Ma, Yu-Xin; Wu, Ming; He, Qing; Chen, Shuya; Ju, Ping; He, Yuan-Chun; Lei, Xiaowu","Zero-dimensional organic–inorganic hybrid zinc halide with stable broadband blue light emissions","CrystEngComm","2024","26","46","6585","6590","10.1039/D4CE00841C","","","0.71073","MoKα","","0.0702","0.0416","","","0.0809","0.0885","","","","","","1.141","","","","has coordinates","296474","2024-12-06","17:40:43",""
"7249555","8.1323","0.0003","16.4609","0.0006","13.2339","0.0005","90","","105.928","0.001","90","","1703.54","0.11","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 Br4 N2 Zn -","- C11 H18 Br4 N2 Zn -","- C44 H72 Br16 N8 Zn4 -","4","1","","Zhang, Jie; Ma, Yu-Xin; Wu, Ming; He, Qing; Chen, Shuya; Ju, Ping; He, Yuan-Chun; Lei, Xiaowu","Zero-dimensional organic–inorganic hybrid zinc halide with stable broadband blue light emissions","CrystEngComm","2024","26","46","6585","6590","10.1039/D4CE00841C","","","0.71076","MoKα","","0.0633","0.0348","","","0.0702","0.078","","","","","","1.044","","","","has coordinates","296474","2024-12-06","17:40:43",""
"7249556","33.0404","0.001","33.0404","0.001","54.083","0.002","90","","90","","90","","59041","3","120.01","0.1","120.01","0.1","","","","","","","","6","I 4/m","-I 4","87","","","","- C432 H360 Co24 N24 O126 S24 -","- C432 H360 Co24 N24 O126 S24 -","- C864 H720 Co48 N48 O252 S48 -","2","0.125","","KHARIUSHIN, Ivan; Bulach, Veronique; Ward, Jas S.; Rissanen, Kari; Solovieva, Svetlana; Antipin, Igor S.; Ovsyannikov, Alexander; Ferlay, Sylvie","Synthesis, crystal structure, and gas sorption studies of two neutral octahedral {MII24}-cages built from sulfonylthiacalix[4]arene tetranuclear clusters and triazine linkers","CrystEngComm","2024","","","","","10.1039/D4CE00964A","","x-ray","1.54184","CuKα","","0.151","0.0858","","","0.2686","0.3117","","","","","","1.027","","","","has coordinates","295824","2024-11-07","23:30:52",""
"7249557","32.9311","0.0003","32.9311","0.0003","54.0192","0.0006","90","","90","","90","","58581.5","1","120.01","0.1","120.01","0.1","","","","","","","","6","I 4/m","-I 4","87","","","","- C432 H360 N24 Ni24 O126 S24 -","- C432 H360 N24 Ni24 O126 S24 -","- C864 H720 N48 Ni48 O252 S48 -","2","0.125","","KHARIUSHIN, Ivan; Bulach, Veronique; Ward, Jas S.; Rissanen, Kari; Solovieva, Svetlana; Antipin, Igor S.; Ovsyannikov, Alexander; Ferlay, Sylvie","Synthesis, crystal structure, and gas sorption studies of two neutral octahedral {MII24}-cages built from sulfonylthiacalix[4]arene tetranuclear clusters and triazine linkers","CrystEngComm","2024","","","","","10.1039/D4CE00964A","","x-ray","1.54184","CuKα","","0.1144","0.0895","","","0.2632","0.2982","","","","","","1.029","","","","has coordinates","295824","2024-11-07","23:30:53",""
"7249558","13.395","0.003","13.251","0.003","9.036","0.002","90","","98.213","0.004","90","","1587.4","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl2 O2 Te -","- C16 H14 Cl2 O2 Te -","- C64 H56 Cl8 O8 Te4 -","4","1","","Singh, Puspendra; Khan, Mariya; Duthie, Andrew; Butcher, Ray J.","Synthesis and characterization of carbonyl functionalized organotellurium(iv) derivatives","RSC Advances","2024","14","48","35650","35656","10.1039/D4RA06023G","","","0.71073","MoKα","","0.0255","0.0224","","","0.057","0.0586","","","","","","1.04","","","","has coordinates","295849","2024-11-09","02:04:17",""
"7249559","8.389","0.005","12.312","0.005","8.461","0.005","90","0.005","116.32","0.005","90","0.005","783.3","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H18 Cl2 O2 Te -","- C14 H18 Cl2 O2 Te -","- C28 H36 Cl4 O4 Te2 -","2","1","","Singh, Puspendra; Khan, Mariya; Duthie, Andrew; Butcher, Ray J.","Synthesis and characterization of carbonyl functionalized organotellurium(iv) derivatives","RSC Advances","2024","14","48","35650","35656","10.1039/D4RA06023G","","","0.71073","MoKα","","0.0344","0.0292","","","0.0569","0.0601","","","","","","1.019","","","","has coordinates","295849","2024-11-09","02:04:18",""
"7249560","8.7845","0.0004","19.5434","0.0008","11.0751","0.0005","90","","97.679","0.004","90","","1884.31","0.14","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Cl2 O2 Te -","- C19 H20 Cl2 O2 Te -","- C76 H80 Cl8 O8 Te4 -","4","1","","Singh, Puspendra; Khan, Mariya; Duthie, Andrew; Butcher, Ray J.","Synthesis and characterization of carbonyl functionalized organotellurium(iv) derivatives","RSC Advances","2024","14","48","35650","35656","10.1039/D4RA06023G","","","0.71073","MoKα","","0.0515","0.0345","","","0.0652","0.0707","","","","","","1.088","","","","has coordinates","295849","2024-11-09","02:04:18",""
"7249561","19.262","0.003","4.9631","0.0009","30.819","0.005","90","","98.509","0.003","90","","2913.8","0.8","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22.67 H18.67 N2.67 O1.33 S1.33 -","- C22.6667 H18.6667 N2.66667 O1.33333 S1.33333 -","- C136 H112 N16 O8 S8 -","6","0.75","","Aggarwal, Ranjana; Sharma, Shilpa; Jain, Naman; Sanz, Dionisia; Claramunt, Rosa M.; Delgado, Patricia; Torralba, M. Carmen","Reaction of unsymmetrical α-bromo-1,3-diketones with N-substituted thioureas: regioselective access to 2-(N-arylamino)-5-acyl-4-methylthiazoles and/or rearranged 2-(N-acylimino)-3-N-aryl-4-methylthiazoles","RSC Advances","2024","14","48","35585","35600","10.1039/D4RA05436A","","","0.71073","MoKα","","0.1173","0.058","","","0.1336","0.1535","","","","","","0.967","","","","has coordinates,has disorder","295850","2024-11-09","02:04:51",""
"7249562","9.4627","0.001","9.6608","0.001","11.0027","0.0011","107.81","0.002","110.578","0.002","96.95","0.002","866.57","0.16","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 Cl N2 O2 S -","- C18 H15 Cl N2 O2 S -","- C36 H30 Cl2 N4 O4 S2 -","2","1","","Aggarwal, Ranjana; Sharma, Shilpa; Jain, Naman; Sanz, Dionisia; Claramunt, Rosa M.; Delgado, Patricia; Torralba, M. Carmen","Reaction of unsymmetrical α-bromo-1,3-diketones with N-substituted thioureas: regioselective access to 2-(N-arylamino)-5-acyl-4-methylthiazoles and/or rearranged 2-(N-acylimino)-3-N-aryl-4-methylthiazoles","RSC Advances","2024","14","48","35585","35600","10.1039/D4RA05436A","","","0.71073","MoKα","","0.0994","0.048","","","0.1115","0.1292","","","","","","0.97","","","","has coordinates","295850","2024-11-09","02:04:53",""
"7249563","20.1281","0.0015","6.9154","0.0005","11.345","0.0009","90","","90","","90","","1579.2","0.2","296","2","296.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H16 N2 O S -","- C18 H16 N2 O S -","- C72 H64 N8 O4 S4 -","4","0.5","","Aggarwal, Ranjana; Sharma, Shilpa; Jain, Naman; Sanz, Dionisia; Claramunt, Rosa M.; Delgado, Patricia; Torralba, M. Carmen","Reaction of unsymmetrical α-bromo-1,3-diketones with N-substituted thioureas: regioselective access to 2-(N-arylamino)-5-acyl-4-methylthiazoles and/or rearranged 2-(N-acylimino)-3-N-aryl-4-methylthiazoles","RSC Advances","2024","14","48","35585","35600","10.1039/D4RA05436A","","","0.71073","MoKα","","0.088","0.0441","","","0.1198","0.1377","","","","","","1.004","","","","has coordinates,has disorder","295850","2024-11-09","02:04:53",""
"7249564","7.4426","0.0002","16.8474","0.0004","19.2123","0.0005","90","","90","","90","","2409","0.11","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Ag Bi Br8 N2 -","- C13 H14 Ag Bi Br8 N2 -","- C52 H56 Ag4 Bi4 Br32 N8 -","4","1","","Shentseva, Irina; Usoltsev, Andrey N.; Korobeynikov, Nikita A.; Sokolov, Maksim Nailyevich; Adonin, Sergey A.","One-dimensional heterometallic Bi/Ag and Sb/Ag bromometalates(III): structures, thermal stability and optical properties","CrystEngComm","2024","","","","","10.1039/D4CE01083C","","","0.71073","MoKα","","0.0379","0.0308","","","0.0596","0.0617","","","","","","1.008","","","","has coordinates","295870","2024-11-11","23:37:05",""
"7249565","7.9539","0.0003","11.8928","0.0004","12.5004","0.0004","96.348","0.001","105.426","0.001","108.237","0.001","1058.08","0.06","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H16 Ag Bi Br6 N4 -","- C10 H16 Ag Bi Br6 N4 -","- C20 H32 Ag2 Bi2 Br12 N8 -","2","1","","Shentseva, Irina; Usoltsev, Andrey N.; Korobeynikov, Nikita A.; Sokolov, Maksim Nailyevich; Adonin, Sergey A.","One-dimensional heterometallic Bi/Ag and Sb/Ag bromometalates(III): structures, thermal stability and optical properties","CrystEngComm","2024","","","","","10.1039/D4CE01083C","","","0.71073","MoKα","","0.0456","0.0326","","","0.0609","0.0649","","","","","","1.015","","","","has coordinates","295870","2024-11-11","23:37:06",""
"7249566","22.2373","0.0007","8.0757","0.0002","35.0456","0.0009","90","","104.866","0.001","90","","6082.9","0.3","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H48 Ag2 Br17 N12 Sb3 -","- C30 H48 Ag2 Br17 N12 Sb3 -","- C120 H192 Ag8 Br68 N48 Sb12 -","4","0.5","","Shentseva, Irina; Usoltsev, Andrey N.; Korobeynikov, Nikita A.; Sokolov, Maksim Nailyevich; Adonin, Sergey A.","One-dimensional heterometallic Bi/Ag and Sb/Ag bromometalates(III): structures, thermal stability and optical properties","CrystEngComm","2024","","","","","10.1039/D4CE01083C","","","0.71073","MoKα","","0.0398","0.0278","","","0.0531","0.0564","","","","","","1.022","","","","has coordinates","295870","2024-11-11","23:37:06",""
"7249567","32.665","0.003","32.665","0.003","8.0636","0.0008","90","","90","","90","","8603.9","1.4","150","2","150","2","","","","","","","","6","I -4","I -4","82","","","","- C24 H22 Cu2 N10 O9 S2 -","- C24 H22 Cu2 N10 O9 S2 -","- C192 H176 Cu16 N80 O72 S16 -","8","1","","Gurbanov, Atash V.; Mahmoudi, Ghodrat; Zangrando, Ennio; Zubkov, Fedor I.; Hasanov, Khudayar I.; Mahmudov, Kamran T.","Bridging linker installation strategy in the engineering of copper(ii) complexes: activation of nitriles, efficient catalysts for the cyanosilylation of aldehydes","CrystEngComm","2024","26","47","6692","6700","10.1039/D4CE00950A","","","0.71073","MoKα","","0.1058","0.0665","","","0.1381","0.1541","","","","","","0.99","","","","has coordinates","296482","2024-12-06","17:44:43",""
"7249568","35.241","0.003","8.9159","0.0008","13.4655","0.001","90","","103.584","0.003","90","","4112.6","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H40 Cu2 N10 O12 S2 -","- C34 H40 Cu2 N10 O12 S2 -","- C136 H160 Cu8 N40 O48 S8 -","4","0.5","","Gurbanov, Atash V.; Mahmoudi, Ghodrat; Zangrando, Ennio; Zubkov, Fedor I.; Hasanov, Khudayar I.; Mahmudov, Kamran T.","Bridging linker installation strategy in the engineering of copper(ii) complexes: activation of nitriles, efficient catalysts for the cyanosilylation of aldehydes","CrystEngComm","2024","26","47","6692","6700","10.1039/D4CE00950A","","","0.71073","MoKα","","0.0859","0.0594","","","0.1581","0.1789","","","","","","1.032","","","","has coordinates","296482","2024-12-06","17:44:44",""
"7249569","7.3614","0.0009","20.225","0.003","12.8581","0.0019","90","","99.97","0.005","90","","1885.5","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Cu2 N10 O10 S2 -","- C36 H32 Cu2 N10 O10 S2 -","- C72 H64 Cu4 N20 O20 S4 -","2","0.5","","Gurbanov, Atash V.; Mahmoudi, Ghodrat; Zangrando, Ennio; Zubkov, Fedor I.; Hasanov, Khudayar I.; Mahmudov, Kamran T.","Bridging linker installation strategy in the engineering of copper(ii) complexes: activation of nitriles, efficient catalysts for the cyanosilylation of aldehydes","CrystEngComm","2024","26","47","6692","6700","10.1039/D4CE00950A","","","0.71073","MoKα","","0.1283","0.0686","","","0.1389","0.1676","","","","","","1.06","","","","has coordinates","296482","2024-12-06","17:44:44",""
"7249570","35.463","0.004","8.9912","0.0011","12.8607","0.0014","90","","109.184","0.004","90","","3873","0.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Cu2 N10 O12 S2 -","- C30 H32 Cu2 N10 O12 S2 -","- C120 H128 Cu8 N40 O48 S8 -","4","0.5","","Gurbanov, Atash V.; Mahmoudi, Ghodrat; Zangrando, Ennio; Zubkov, Fedor I.; Hasanov, Khudayar I.; Mahmudov, Kamran T.","Bridging linker installation strategy in the engineering of copper(ii) complexes: activation of nitriles, efficient catalysts for the cyanosilylation of aldehydes","CrystEngComm","2024","26","47","6692","6700","10.1039/D4CE00950A","","","0.71073","MoKα","","0.0477","0.0417","","","0.105","0.1088","","","","","","1.071","","","","has coordinates","296482","2024-12-06","17:44:44",""
"7249571","8.808","0.002","13.721","0.003","18.327","0.004","103.78","0.008","103.852","0.007","94.205","0.007","2068.5","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H76 Cu4 N20 O26 S4 -","- C66 H76 Cu4 N20 O26 S4 -","- C66 H76 Cu4 N20 O26 S4 -","1","0.5","","Gurbanov, Atash V.; Mahmoudi, Ghodrat; Zangrando, Ennio; Zubkov, Fedor I.; Hasanov, Khudayar I.; Mahmudov, Kamran T.","Bridging linker installation strategy in the engineering of copper(ii) complexes: activation of nitriles, efficient catalysts for the cyanosilylation of aldehydes","CrystEngComm","2024","26","47","6692","6700","10.1039/D4CE00950A","","","0.71073","MoKα","","0.0779","0.0506","","","0.1261","0.1436","","","","","","1.031","","","","has coordinates","296482","2024-12-06","17:44:44",""
"7249572","11.938","0.004","30.421","0.01","15.066","0.004","90","","106.633","0.01","90","","5243","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Cu N6 O4 S3 -","- C20 H16 Cu N6 O4 S3 -","- C160 H128 Cu8 N48 O32 S24 -","8","1","","Gurbanov, Atash V.; Mahmoudi, Ghodrat; Zangrando, Ennio; Zubkov, Fedor I.; Hasanov, Khudayar I.; Mahmudov, Kamran T.","Bridging linker installation strategy in the engineering of copper(ii) complexes: activation of nitriles, efficient catalysts for the cyanosilylation of aldehydes","CrystEngComm","2024","26","47","6692","6700","10.1039/D4CE00950A","","","0.71073","MoKα","","0.0877","0.0595","","","0.1441","0.1632","","","","","","1.086","","","","has coordinates","296482","2024-12-06","17:44:44",""
"7249573","11.2298","0.0012","11.8856","0.001","20.87","0.002","83.037","0.003","87.851","0.004","69.678","0.003","2592.9","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H76 Cu6 N32 O30 S6 -","- C80 H76 Cu6 N32 O30 S6 -","- C80 H76 Cu6 N32 O30 S6 -","1","0.5","","Gurbanov, Atash V.; Mahmoudi, Ghodrat; Zangrando, Ennio; Zubkov, Fedor I.; Hasanov, Khudayar I.; Mahmudov, Kamran T.","Bridging linker installation strategy in the engineering of copper(ii) complexes: activation of nitriles, efficient catalysts for the cyanosilylation of aldehydes","CrystEngComm","2024","26","47","6692","6700","10.1039/D4CE00950A","","","0.71073","MoKα","","0.0934","0.054","","","0.1222","0.1409","","","","","","1.007","","","","has coordinates","296482","2024-12-06","17:44:44",""
"7249574","9.3838","0.0007","9.3838","0.0007","6.1509","0.0007","90","","90","","90","","541.62","0.08","296.15","","296.15","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Eu2 Ge2 O S6 Zn -","- Eu2 Ge2 O S6 Zn -","- Eu4 Ge4 O2 S12 Zn2 -","2","0.25","","Wang, Guili; Wu, Wentian; Li, Chunxiao; Yao, Jiyong","Rare-earth oxychalcogenide Eu2ZnGe2OS6: a phase-matching infrared nonlinear optical material with [GeOS3] units","CrystEngComm","2024","26","47","6683","6687","10.1039/D4CE01051E","","","0.71073","MoKα","","0.0228","0.0219","","","0.05","0.0505","","","","","","1.104","","","","has coordinates","296480","2024-12-06","17:43:18",""
"7249575","17.0841","0.0008","17.0841","0.0008","14.98","0.0009","90","","90","","120","","3786.4","0.3","296.15","","296.15","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C61 H73.97 Co3 N8 O22 -","- C43.9998 H25.9998 Co3 N3.9999 O13 -","- C87.9996 H51.9996 Co6 N7.9998 O26 -","2","0.0833333","","Ding, Wenyu; Tang, Xinyu; Jin, Sheng; Li, Zhao; Xu, Dongwei; Kang, Xiaomin; Liu, Zhiliang","High-efficient green catalytic conversion for waste CS2 by non-noble metal cage-based MOFs: An access to high-valued thiazolidine-2-thione","Green Chemistry","2024","","","","","10.1039/D4GC04541F","","","0.71073","MoKα","","0.0493","0.0379","","","0.1001","0.1062","","","","","","1.023","","","","has coordinates","295895","2024-11-13","00:47:43",""
"7249576","9.8282","0.0005","19.5453","0.0009","16.251","0.0008","90","","98.094","0.002","90","","3090.6","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H31 Cl N5 O3 Ru2 -","- C34 H31 Cl N5 O3 Ru2 -","- C136 H124 Cl4 N20 O12 Ru8 -","4","1","","Coloma, Isabel; Herrero, Santiago; Cortijo, Miguel","Intrinsically chiral paddlewheel diruthenium complexes","CrystEngComm","2024","26","47","6739","6747","10.1039/D4CE01040J","","","1.54178","CuKα","","0.0373","0.0357","","","0.1003","0.1018","","","","","","1.073","","","","has coordinates","296478","2024-12-06","17:42:10",""
"7249577","12.9823","0.0004","13.7386","0.0004","14.3812","0.0004","93.766","0.002","109.216","0.003","112.885","0.003","2175.45","0.14","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C41 H46 Cl N6 O6 Ru2 -","- C41 H46 Cl N6 O6 Ru2 -","- C82 H92 Cl2 N12 O12 Ru4 -","2","1","","Coloma, Isabel; Herrero, Santiago; Cortijo, Miguel","Intrinsically chiral paddlewheel diruthenium complexes","CrystEngComm","2024","26","47","6739","6747","10.1039/D4CE01040J","","x-ray","1.54184","CuKα","","0.0366","0.0352","","","0.1165","0.1177","","","","","","1.094","","","","has coordinates,has disorder","296478","2024-12-06","17:42:10",""
"7249578","12.5721","0.0007","21.1723","0.0009","13.9407","0.0007","90","","97.231","0.004","90","","3681.2","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H39 Cl N5 O7 Ru2 -","- C38 H39 Cl N5 O7 Ru2 -","- C152 H156 Cl4 N20 O28 Ru8 -","4","1","","Coloma, Isabel; Herrero, Santiago; Cortijo, Miguel","Intrinsically chiral paddlewheel diruthenium complexes","CrystEngComm","2024","26","47","6739","6747","10.1039/D4CE01040J","","","1.54178","CuKα","","0.125","0.0687","","","0.1593","0.1914","","","","","","1.025","","","","has coordinates","296478","2024-12-06","17:42:10",""
"7249579","12.6609","0.0006","12.1468","0.0006","24.352","0.0012","90","","100.814","0.002","90","","3678.6","0.3","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H42 Cl N6 O3 Ru2 -","- C38 H42 Cl N6 O3 Ru2 -","- C152 H168 Cl4 N24 O12 Ru8 -","4","1","","Coloma, Isabel; Herrero, Santiago; Cortijo, Miguel","Intrinsically chiral paddlewheel diruthenium complexes","CrystEngComm","2024","26","47","6739","6747","10.1039/D4CE01040J","","","1.54178","CuKα","","0.0272","0.0264","","","0.0749","0.0756","","","","","","1.07","","","","has coordinates","296478","2024-12-06","17:42:10",""
"7249580","5.3382","0.0003","12.9726","0.0008","10.5955","0.0007","90","","101.71","0.002","90","","718.47","0.08","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C4 H5 N2 O4 Re -","- C4 H5 N2 O4 Re -","- C16 H20 N8 O16 Re4 -","4","1","","Novikov, Anton P.; Sitanskaia, Anastasiia V.; Volkov, Mikhail A.; Nevolin, Iurii M.; Grigoriev, Mikhail S.","Intermolecular non-covalent interactions in the organic perrhenates crystal structures: from theory to practice","CrystEngComm","2024","26","46","6640","6649","10.1039/D4CE00951G","","","0.71073","MoKα","","0.0199","0.0154","","","0.0302","0.0311","","","","","","1.074","","","","has coordinates","296470","2024-12-06","17:38:01",""
"7249581","5.807","0.002","6.087","0.002","6.157","0.002","95.814","0.011","94.57","0.011","100.825","0.011","211.57","0.12","100","2","100.15","","","","","","","","","5","P 1","P 1","1","","","","- C5 H12 N O4 Re -","- C5 H12 N O4 Re -","- C5 H12 N O4 Re -","1","1","","Novikov, Anton P.; Sitanskaia, Anastasiia V.; Volkov, Mikhail A.; Nevolin, Iurii M.; Grigoriev, Mikhail S.","Intermolecular non-covalent interactions in the organic perrhenates crystal structures: from theory to practice","CrystEngComm","2024","26","46","6640","6649","10.1039/D4CE00951G","","","0.71073","MoKα","","0.0187","0.0187","","","0.0333","0.0333","","","","","","1.011","","","","has coordinates","296470","2024-12-06","17:38:02",""
"7249582","12.086","0.002","8.5629","0.0014","8.349","0.0013","90","","90","","90","","864","0.2","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H10 N2 O4 Re -","- C5 H10 N2 O4 Re -","- C20 H40 N8 O16 Re4 -","4","0.5","","Novikov, Anton P.; Sitanskaia, Anastasiia V.; Volkov, Mikhail A.; Nevolin, Iurii M.; Grigoriev, Mikhail S.","Intermolecular non-covalent interactions in the organic perrhenates crystal structures: from theory to practice","CrystEngComm","2024","26","46","6640","6649","10.1039/D4CE00951G","","","0.71073","MoKα","","0.0376","0.0274","","","0.0531","0.0566","","","","","","1.064","","","","has coordinates","296470","2024-12-06","17:38:12",""
"7249583","6.2945","0.0004","7.3292","0.0004","7.3349","0.0004","115.398","0.002","107.627","0.002","90.178","0.002","287.83","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H12 N2 O8 Re2 -","- C4 H12 N2 O8 Re2 -","- C4 H12 N2 O8 Re2 -","1","0.5","","Novikov, Anton P.; Sitanskaia, Anastasiia V.; Volkov, Mikhail A.; Nevolin, Iurii M.; Grigoriev, Mikhail S.","Intermolecular non-covalent interactions in the organic perrhenates crystal structures: from theory to practice","CrystEngComm","2024","26","46","6640","6649","10.1039/D4CE00951G","","","0.71073","MoKα","","0.0249","0.0218","","","0.0358","0.0367","","","","","","1.055","","","","has coordinates","296470","2024-12-06","17:38:13",""
"7249584","5.8384","0.0005","8.7977","0.0007","14.3012","0.0012","90","","99.293","0.002","90","","724.93","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 N2 O4 Re -","- C4 H5 N2 O4 Re -","- C16 H20 N8 O16 Re4 -","4","1","","Novikov, Anton P.; Sitanskaia, Anastasiia V.; Volkov, Mikhail A.; Nevolin, Iurii M.; Grigoriev, Mikhail S.","Intermolecular non-covalent interactions in the organic perrhenates crystal structures: from theory to practice","CrystEngComm","2024","26","46","6640","6649","10.1039/D4CE00951G","","","0.71073","MoKα","","0.0347","0.0269","","","0.0526","0.0549","","","","","","1.061","","","","has coordinates","296470","2024-12-06","17:38:24",""
"7249585","7.0126","0.0009","8.0573","0.001","14.2499","0.0017","99.816","0.005","91.37","0.005","93.454","0.005","791.45","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H7 N2 O4 Re -","- C4 H7 N2 O4 Re -","- C16 H28 N8 O16 Re4 -","4","2","","Novikov, Anton P.; Sitanskaia, Anastasiia V.; Volkov, Mikhail A.; Nevolin, Iurii M.; Grigoriev, Mikhail S.","Intermolecular non-covalent interactions in the organic perrhenates crystal structures: from theory to practice","CrystEngComm","2024","26","46","6640","6649","10.1039/D4CE00951G","","","0.71073","MoKα","","0.0661","0.0464","","","0.0929","0.1002","","","","","","1.031","","","","has coordinates","296470","2024-12-06","17:38:25",""
"7249586","5.1704","0.0002","12.0115","0.0006","9.95","0.0005","90","","94.583","0.001","90","","615.96","0.05","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C2 H4 N3 O4 Re -","- C2 H4 N3 O4 Re -","- C8 H16 N12 O16 Re4 -","4","1","","Novikov, Anton P.; Sitanskaia, Anastasiia V.; Volkov, Mikhail A.; Nevolin, Iurii M.; Grigoriev, Mikhail S.","Intermolecular non-covalent interactions in the organic perrhenates crystal structures: from theory to practice","CrystEngComm","2024","26","46","6640","6649","10.1039/D4CE00951G","","","0.71073","MoKα","","0.0223","0.0208","","","0.0488","0.0495","","","","","","1.163","","","","has coordinates","296470","2024-12-06","17:38:35",""
"7249587","5.4022","0.0003","14.7984","0.0009","9.4457","0.0006","90","","94.184","0.003","90","","753.11","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H7 N2 O4 Re -","- C4 H7 N2 O4 Re -","- C16 H28 N8 O16 Re4 -","4","1","","Novikov, Anton P.; Sitanskaia, Anastasiia V.; Volkov, Mikhail A.; Nevolin, Iurii M.; Grigoriev, Mikhail S.","Intermolecular non-covalent interactions in the organic perrhenates crystal structures: from theory to practice","CrystEngComm","2024","26","46","6640","6649","10.1039/D4CE00951G","","","0.71073","MoKα","","0.0429","0.0293","","","0.0545","0.0597","","","","","","1.06","","","","has coordinates","296470","2024-12-06","17:38:45",""
"7249588","10.7017","0.0009","11.3642","0.0009","12.4987","0.0011","90","","106.006","0.003","90","","1461.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N2 O8 Re -","- C12 H11 N2 O8 Re -","- C48 H44 N8 O32 Re4 -","4","1","","Novikov, Anton P.; Sitanskaia, Anastasiia V.; Volkov, Mikhail A.; Nevolin, Iurii M.; Grigoriev, Mikhail S.","Intermolecular non-covalent interactions in the organic perrhenates crystal structures: from theory to practice","CrystEngComm","2024","26","46","6640","6649","10.1039/D4CE00951G","","","0.71073","MoKα","","0.0723","0.0438","","","0.0764","0.0871","","","","","","1.005","","","","has coordinates","296470","2024-12-06","17:38:46",""
"7249589","9.8128","0.0003","9.7587","0.0003","7.4027","0.0002","90","","101.976","0.001","90","","693.45","0.04","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H5 N2 O4 Re -","- C4 H5 N2 O4 Re -","- C16 H20 N8 O16 Re4 -","4","1","","Novikov, Anton P.; Sitanskaia, Anastasiia V.; Volkov, Mikhail A.; Nevolin, Iurii M.; Grigoriev, Mikhail S.","Intermolecular non-covalent interactions in the organic perrhenates crystal structures: from theory to practice","CrystEngComm","2024","26","46","6640","6649","10.1039/D4CE00951G","","","0.71073","MoKα","","0.0171","0.0143","","","0.0299","0.0305","","","","","","1.093","","","","has coordinates","296470","2024-12-06","17:38:47",""
"7249590","5.4974","0.0003","8.7838","0.0006","15.4679","0.001","90","","96.576","0.003","90","","742","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 N O4 Re -","- C4 H10 N O4 Re -","- C16 H40 N4 O16 Re4 -","4","1","","Novikov, Anton P.; Sitanskaia, Anastasiia V.; Volkov, Mikhail A.; Nevolin, Iurii M.; Grigoriev, Mikhail S.","Intermolecular non-covalent interactions in the organic perrhenates crystal structures: from theory to practice","CrystEngComm","2024","26","46","6640","6649","10.1039/D4CE00951G","","","0.71073","MoKα","","0.0218","0.0197","","","0.0388","0.0392","","","","","","1.293","","","","has coordinates","296470","2024-12-06","17:38:57",""
"7249591","14.7703","0.0005","9.2488","0.0003","26.0606","0.0008","90","","90","","90","","3560.1","0.2","101","2","101","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H30 Cl4 Cu2 N10 S4 -","- C28 H30 Cl4 Cu2 N10 S4 -","- C112 H120 Cl16 Cu8 N40 S16 -","4","1","","Rogalewicz, B.; Sierański, T; Szczesio, M.; Olczak, A.; Gobis, K.; Orlewska, C.; Korona-Głowniak, I; Korga-Plewko, A; Iwan, M.; Michalczuk, M.; Kubik, J.; Adamczuk, G.; Korga, M.; Rutkowska, N.; Boruta, T.; Gas, K.; Sawicki, M.; Poleszak, E.; Maniukiewicz, W.; Świątkowski, M; Czylkowska, A.","Physicochemical properties and mechanism of action of a new copper(ii) pyrazine-based complex with high anticancer activity and selectivity towards cancer cells.","RSC advances","2024","14","49","36295","36307","10.1039/d4ra06874b","","x-ray","0.71073","MoKα","","0.0551","0.0475","","","0.1005","0.1026","","","","","","1.039","","","","has coordinates","295913","2024-11-14","02:16:11",""
"7249592","6.9582","0.0003","7.7761","0.0004","34.9263","0.0015","88.781","0.004","89.088","0.003","89.979","0.004","1889.11","0.15","295","2","295","2","","","","","","","","2","P -1","-P 1","2","","","","- C46 H62 -","- C46 H62 -","- C92 H124 -","2","1","","Yang, Tengzhou; Zhang, Liang; Bao, Yucong; Wei, Haoming","Dialkylated dibenzo[a,h]anthracenes for solution-processable organic thin-film transistors","RSC Advances","2024","14","49","36390","36397","10.1039/D4RA07439D","","x-ray","1.54184","CuKα","","0.1679","0.1174","","","0.3056","0.3415","","","","","","1.088","","","","has coordinates","295926","2024-11-15","02:06:31",""
"7249593","25.7538","0.0005","5.7788","0.0001","25.3638","0.0004","90","","112.982","0.002","90","","3475.18","0.12","289","1","289","1","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C44 H54 -","- C44 H54 -","- C176 H216 -","4","0.5","","Yang, Tengzhou; Zhang, Liang; Bao, Yucong; Wei, Haoming","Dialkylated dibenzo[a,h]anthracenes for solution-processable organic thin-film transistors","RSC Advances","2024","14","49","36390","36397","10.1039/D4RA07439D","","x-ray","1.54184","CuKα","","0.0863","0.0782","","","0.2576","0.2708","","","","","","1.132","","","","has coordinates","295926","2024-11-15","02:06:31",""
"7249594","25.8074","0.0013","4.65278","0.00014","26.1585","0.0013","90","","116.535","0.006","90","","2810.1","0.3","99.97","0.15","99.97","0.15","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 F3 N3 O3 -","- C15 H12 F3 N3 O3 -","- C120 H96 F24 N24 O24 -","8","2","","Hu, Ming-Cheng; Zhou, Hai-Tao; Fang, Yu-Chen; Zhang, Li-Ren; Cui, Bao-Dong; Chen, Yong-Zheng; Bai, Mei","In situ generated CF3CHN2 with 3-ylideneoxindoles to access CF3-containing pyrazolo[1,5-c]quinazolines derivatives","RSC Advances","2024","14","49","36410","36415","10.1039/D4RA06651K","","x-ray","1.54184","CuKα","","0.1181","0.1144","","","0.3068","0.3085","","","","","","1.108","","","","has coordinates","295927","2024-11-15","02:06:54",""
"7249595","18.778","0.0006","22.8484","0.0006","18.0407","0.0006","90","","90","","90","","7740.3","0.4","130","2","130","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Poly{[bis(2-oxo-6-methyl-1H-pyridine-3-carboxylato-kO,kO')(mu-2-oxo-6-methyl-1H-pyridine-3-carboxylato-kO,kO':kO'')(mu-2-oxo-6-methyl-1H-pyridine-3-carboxylato-kO,kO':kO',kO'')triaquasodium(I)thulium(III)] octahydrate}","","- C28 H46 N4 Na O23 Tm -","- C28 H46 N4 Na O23 Tm -","- C224 H368 N32 Na8 O184 Tm8 -","8","1","","Razquin-Bobillo, Laura; García, Jose Angel; Hernández, Ricardo; Rodríguez-Diéguez, Antonio; Cepeda, Javier","A family of luminescent heterometallic coordination polymers based on lanthanide(iii) ions and 6-methyl-2-oxonicotinate: near-infrared/visible emitters and colour fine-tuning","CrystEngComm","2024","26","47","6707","6718","10.1039/D4CE00881B","","","0.71073","MoKα","","0.0479","0.0268","","","0.0493","0.0583","","","","","","1.05","","","","has coordinates","296479","2024-12-06","17:42:43",""
"7249596","22.937","0.005","18.16","0.004","18.791","0.004","90","","90","","90","","7827","3","150","","150","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","Poly{[bis(2-oxo-6-methyl-1H-pyridine-3-carboxylato-kO,kO')(mu-2-oxo-6-methyl-1H-pyridine-3-carboxylato-kO,kO':kO'')(mu-2-oxo-6-methyl-1H-pyridine-3-carboxylato-kO,kO':kO',kO'')triaquasodium(I)dysprosium(III)/europium(III)/yttrium(III) (0.77/0.12/0.11] octahydrate}","","- C28 H46 Dy0.77 Eu0.12 N4 Na O23 Y0.11 -","- C28 H46 Dy0.77 Eu0.12 N4 Na O23 Y0.11 -","- C224 H368 Dy6.16 Eu0.96 N32 Na8 O184 Y0.88 -","8","1","","Razquin-Bobillo, Laura; García, Jose Angel; Hernández, Ricardo; Rodríguez-Diéguez, Antonio; Cepeda, Javier","A family of luminescent heterometallic coordination polymers based on lanthanide(iii) ions and 6-methyl-2-oxonicotinate: near-infrared/visible emitters and colour fine-tuning","CrystEngComm","2024","26","47","6707","6718","10.1039/D4CE00881B","","","0.71073","MoKα","","0.0752","0.0445","","","0.0836","0.1118","","","","","","1.124","","","","has coordinates","296479","2024-12-06","17:42:56",""
"7249597","18.2627","0.0007","18.6667","0.0009","22.938","0.0009","90","","90","","90","","7819.7","0.6","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Poly{[bis(2-oxo-6-methyl-1H-pyridine-3-carboxylato-kO,kO')(mu-2-oxo-6-methyl-1H-pyridine-3-carboxylato-kO,kO':kO'')(mu-2-oxo-6-methyl-1H-pyridine-3-carboxylato-kO,kO':kO',kO'')triaquasodium(I)neodymium(III)] octahydrate}","","- C28 H46 N4 Na Nd O23 -","- C28 H46 N4 Na Nd O23 -","- C224 H368 N32 Na8 Nd8 O184 -","8","1","","Razquin-Bobillo, Laura; García, Jose Angel; Hernández, Ricardo; Rodríguez-Diéguez, Antonio; Cepeda, Javier","A family of luminescent heterometallic coordination polymers based on lanthanide(iii) ions and 6-methyl-2-oxonicotinate: near-infrared/visible emitters and colour fine-tuning","CrystEngComm","2024","26","47","6707","6718","10.1039/D4CE00881B","","","0.71073","MoKα","","0.0318","0.024","","","0.0584","0.0625","","","","","","1.033","","","","has coordinates","296479","2024-12-06","17:42:56",""
"7249598","13.4291","0.0006","4.1088","0.0002","16.6768","0.0007","90","","90","","90","","920.18","0.07","173","","173","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H7 Br N2 -","- C11 H7 Br N2 -","- C44 H28 Br4 N8 -","4","1","","Li, Yingqian; Liu, Yali; Hao, Di; Xu, Liang; Liu, Ping","Regioselective bromination of pyrrolo[1,2-a]quinoxalines","RSC Advances","2024","14","49","36488","36496","10.1039/D4RA07358D","","","1.54178","CuKα","","0.0309","0.028","","","0.0635","0.0659","","","","","","1.053","","","","has coordinates","295960","2024-11-16","02:08:09",""
"7249599","11.6467","0.0003","5.656","0.0001","31.9545","0.0012","90","","90","","90","","2104.96","0.1","293","","293","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H6 F3 N5 O4 -","- C6 H6 F3 N5 O4 -","- C48 H48 F24 N40 O32 -","8","2","","Yin, Dangyue; Yang, Boqian; Lv, Hongyu; Song, Siwei; Wang, Yi; Zhang, Qinghua","3,5-Dinitro-1-(3,3,3-trifluoropropyl)-1H-pyrazol-4-amine as insensitive and thermostable energetic melt-castable materials","CrystEngComm","2024","","","","","10.1039/D4CE01036A","","","1.54178","CuKα","","0.0785","0.0664","","","0.1828","0.1933","","","","","","1.056","","","","has coordinates","295986","2024-11-18","23:34:17",""
"7249600","10.7755","0.0006","26.7963","0.0015","12.0718","0.0006","90","","102.178","0.003","90","","3407.2","0.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-1-(4-nitrophenyl)methanimine","","- C20 H13 Cl N4 O2 -","- C20 H13 Cl N4 O2 -","- C160 H104 Cl8 N32 O16 -","8","2","","Azzouzi, Mohamed; Ouchaoui, Abderrahim Ait; Azougagh, Omar; El Hadad, Salah Eddine; Abou-salama, Mohamed; Oussaid, Adyl; Pannecouque, Christophe; Rohand, Taoufik","Synthesis, crystal structure, and antiviral evaluation of new imidazopyridine-schiff base derivatives: in vitro and in silico anti-HIV studies","RSC Advances","2024","14","50","36902","36918","10.1039/D4RA07561G","","x-ray","1.34139","GaKα","","0.0508","0.0407","","","0.1019","0.1088","","","","","","1.064","","","","has coordinates","296002","2024-11-20","02:01:23",""
"7249601","12.7721","0.0003","9.5804","0.0002","19.5867","0.0004","90","","101.106","0.002","90","","2351.78","0.09","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C11 H8 Hg O3 S -","- C11 H8 Hg O3 S -","- C88 H64 Hg8 O24 S8 -","8","2","","Kushwaha, Aparna; Srivastava, Devyani; Kociok-Köhn, Gabriele; Ahmed, Sarfaraz; Tiekink, Edward R. T.; Kumar, Abhinav","On the nature and interplay of Hg···O/S spodium-bonding and O···S chalcogen-bonding in one-dimensional phenylmercury(II) 3-alkoxycyclobutene-1,2-dione-4-thiolate coordination polymers","CrystEngComm","2024","","","","","10.1039/D4CE00879K","","x-ray","1.54184","CuKα","","0.0402","0.0396","","","0.1001","0.1005","","","","","","1.24","","","","has coordinates","296024","2024-11-20","23:36:14",""
"7249602","6.112","0.0002","7.8713","0.0003","14.3546","0.0008","101.423","0.004","102.236","0.004","90.002","0.003","660.9","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Hg O3 S -","- C12 H10 Hg O3 S -","- C24 H20 Hg2 O6 S2 -","2","1","","Kushwaha, Aparna; Srivastava, Devyani; Kociok-Köhn, Gabriele; Ahmed, Sarfaraz; Tiekink, Edward R. T.; Kumar, Abhinav","On the nature and interplay of Hg···O/S spodium-bonding and O···S chalcogen-bonding in one-dimensional phenylmercury(II) 3-alkoxycyclobutene-1,2-dione-4-thiolate coordination polymers","CrystEngComm","2024","","","","","10.1039/D4CE00879K","","x-ray","0.71073","MoKα","","0.0487","0.0396","","","0.0717","0.075","","","","","","1.075","","","","has coordinates,has disorder","296024","2024-11-20","23:36:14",""
"7249603","11.2805","0.0014","10.9819","0.0018","38.981","0.004","90","","90","","90","","4829","1.1","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H30 Cl3 N3 O3 S -","- C21 H30 Cl3 N3 O3 S -","- C168 H240 Cl24 N24 O24 S8 -","8","1","","Hardin, Maison; Zeller, Matthias; Rosokha, Sergiy","Complexes of N-Chloroquinuclidinium with Chloride: Strong Halogen Bonding via Chlorine Atoms","CrystEngComm","2024","","","","","10.1039/D4CE01053A","","","1.54178","CuKα","","0.0467","0.0412","","","0.1249","0.1297","","","","","","1.064","","","","has coordinates","296025","2024-11-20","23:36:45",""
"7249604","8.4794","0.0005","28.338","0.0018","7.7102","0.0005","90","","116.892","0.002","90","","1652.33","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 Cl N O3 S -","- C7 H4 Cl N O3 S -","- C56 H32 Cl8 N8 O24 S8 -","8","2","","Hardin, Maison; Zeller, Matthias; Rosokha, Sergiy","Complexes of N-Chloroquinuclidinium with Chloride: Strong Halogen Bonding via Chlorine Atoms","CrystEngComm","2024","","","","","10.1039/D4CE01053A","","","0.71073","MoKα","","0.0312","0.0284","","","0.0772","0.0783","","","","","","1.124","","","","has coordinates","296025","2024-11-20","23:36:46",""
"7249605","7.0792","0.0008","10.8984","0.0012","11.037","0.0013","90","","90","","90","","851.53","0.17","150","2","150","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C7 H13 Cl2 N -","- C7 H13 Cl2 N -","- C28 H52 Cl8 N4 -","4","0.5","","Hardin, Maison; Zeller, Matthias; Rosokha, Sergiy","Complexes of N-Chloroquinuclidinium with Chloride: Strong Halogen Bonding via Chlorine Atoms","CrystEngComm","2024","","","","","10.1039/D4CE01053A","","","1.54178","CuKα","","0.0327","0.0309","","","0.0788","0.0798","","","","","","1.136","","","","has coordinates","296025","2024-11-20","23:36:46",""
"7249606","7.2355","0.0013","18.528","0.003","8.8381","0.0014","90","","108.97","0.02","90","","1120.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H24 N4 O14 P4 -","- C10 H24 N4 O14 P4 -","- C20 H48 N8 O28 P8 -","2","0.5","","Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Structural landscape studies of aminopyridinium hypodiphosphates: dehydration and polymorphism in 4‑aminopyridinium salts","CrystEngComm","2024","","","","","10.1039/D4CE01048E","","x-ray","0.71073","MoKα","","0.0342","0.0262","","","0.0683","0.072","","","","","","1.085","","","","has coordinates","296026","2024-11-20","23:37:22",""
"7249607","6.41","0.002","15.099","0.004","10.548","0.003","90","","100.68","0.03","90","","1003.2","0.5","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H10 N2 O6 P2 -","- C5 H10 N2 O6 P2 -","- C20 H40 N8 O24 P8 -","4","1","","Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Structural landscape studies of aminopyridinium hypodiphosphates: dehydration and polymorphism in 4‑aminopyridinium salts","CrystEngComm","2024","","","","","10.1039/D4CE01048E","","x-ray","0.71073","MoKα","","0.062","0.0549","","","0.152","0.1634","","","","","","1.055","","","","has coordinates","296026","2024-11-20","23:37:23",""
"7249608","6.999","0.003","7.137","0.003","9.596","0.003","104.55","0.03","93.32","0.03","117.03","0.04","405","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H20 N4 O8 P2 -","- C10 H20 N4 O8 P2 -","- C10 H20 N4 O8 P2 -","1","0.5","","Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Structural landscape studies of aminopyridinium hypodiphosphates: dehydration and polymorphism in 4‑aminopyridinium salts","CrystEngComm","2024","","","","","10.1039/D4CE01048E","","x-ray","0.71073","MoKα","","0.0341","0.0269","","","0.0757","0.0782","","","","","","1.065","","","","has coordinates","296026","2024-11-20","23:37:23",""
"7249609","17.485","0.003","11.248","0.002","16.257","0.003","90","","101.7","0.02","90","","3130.9","1","290","2","290","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 N4 O6 P2 -","- C10 H16 N4 O6 P2 -","- C80 H128 N32 O48 P16 -","8","1","","Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Structural landscape studies of aminopyridinium hypodiphosphates: dehydration and polymorphism in 4‑aminopyridinium salts","CrystEngComm","2024","","","","","10.1039/D4CE01048E","","x-ray","1.5418","CuKα","","0.1579","0.0653","","","0.1168","0.1437","","","","","","0.992","","","","has coordinates","296026","2024-11-20","23:37:23",""
"7249610","12.496","0.002","16.008","0.003","15.982","0.002","90","","90","","90","","3197","0.9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 N4 O6 P2 -","- C10 H16 N4 O6 P2 -","- C80 H128 N32 O48 P16 -","8","2","","Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Structural landscape studies of aminopyridinium hypodiphosphates: dehydration and polymorphism in 4‑aminopyridinium salts","CrystEngComm","2024","","","","","10.1039/D4CE01048E","","x-ray","1.5418","CuKα","","0.0465","0.0384","","","0.0905","0.0948","","","","","","1.058","","","","has coordinates,has disorder","296026","2024-11-20","23:37:23",""
"7249611","13.6868","0.0007","27.5022","0.0013","14.2474","0.0007","90","","107.142","0.002","90","","5124.7","0.4","296.15","","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C94 H46 Cl20 Co2 N4 Nd2 O20 -","- C94 H46 Cl20 Co2 N4 Nd2 O20 -","- C188 H92 Cl40 Co4 N8 Nd4 O40 -","2","0.5","","Shen, Yue; Jin, Jiuzeng; Yang, Zhen-Yu; Zhao, Jie; Liu, Binqiu; Zhang, Ju-Wen","Syntheses and properties of pH-directed two types of cobalt-lanthanoid heterometallic complexes constructed from 2,5-dichlorobenzoate and 1,10-phenanthroline","CrystEngComm","2024","","","","","10.1039/D4CE00886C","","","0.71073","MoKα","","0.0431","0.0333","","","0.0709","0.0817","","","","","","1.1423","","","","has coordinates","296027","2024-11-20","23:39:30",""
"7249612","14.2012","0.0005","14.82","0.0006","14.9435","0.0006","113.66","0.001","105.312","0.001","105.382","0.001","2521.2","0.17","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C94 H46 Cl20 Co2 N4 O20 Sm2 -","- C94 H46 Cl20 Co2 N4 O20 Sm2 -","- C94 H46 Cl20 Co2 N4 O20 Sm2 -","1","0.5","","Shen, Yue; Jin, Jiuzeng; Yang, Zhen-Yu; Zhao, Jie; Liu, Binqiu; Zhang, Ju-Wen","Syntheses and properties of pH-directed two types of cobalt-lanthanoid heterometallic complexes constructed from 2,5-dichlorobenzoate and 1,10-phenanthroline","CrystEngComm","2024","","","","","10.1039/D4CE00886C","","","0.71073","MoKα","","0.0535","0.0376","","","0.0702","0.0767","","","","","","1.014","","","","has coordinates","296027","2024-11-20","23:39:30",""
"7249613","14.2163","0.0005","14.8478","0.0006","14.9555","0.0006","113.716","0.001","105.246","0.001","105.359","0.001","2531.17","0.18","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C94 H46 Cl20 Co2 N4 Nd2 O20 -","- C94 H46 Cl20 Co2 N4 Nd2 O20 -","- C94 H46 Cl20 Co2 N4 Nd2 O20 -","1","0.5","","Shen, Yue; Jin, Jiuzeng; Yang, Zhen-Yu; Zhao, Jie; Liu, Binqiu; Zhang, Ju-Wen","Syntheses and properties of pH-directed two types of cobalt-lanthanoid heterometallic complexes constructed from 2,5-dichlorobenzoate and 1,10-phenanthroline","CrystEngComm","2024","","","","","10.1039/D4CE00886C","","","0.71073","MoKα","","0.0666","0.0615","","","0.165","0.1724","","","","","","1.024","","","","has coordinates","296027","2024-11-20","23:39:30",""
"7249614","13.6691","0.0011","27.334","0.002","14.169","0.0011","90","","107.296","0.001","90","","5054.6","0.7","273.15","","273.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C94 H46 Cl20 Co2 N4 O20 Tb2 -","- C94 H46 Cl20 Co2 N4 O20 Tb2 -","- C188 H92 Cl40 Co4 N8 O40 Tb4 -","2","0.5","","Shen, Yue; Jin, Jiuzeng; Yang, Zhen-Yu; Zhao, Jie; Liu, Binqiu; Zhang, Ju-Wen","Syntheses and properties of pH-directed two types of cobalt-lanthanoid heterometallic complexes constructed from 2,5-dichlorobenzoate and 1,10-phenanthroline","CrystEngComm","2024","","","","","10.1039/D4CE00886C","","","0.71073","MoKα","","0.0574","0.0449","","","0.0957","0.1006","","","","","","1.2","","","","has coordinates","296027","2024-11-20","23:39:30",""
"7249615","13.7208","0.0009","27.4634","0.0018","14.2459","0.0009","90","","107.238","0.001","90","","5127","0.6","296.15","","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C94 H46 Cl20 Co2 Gd2 N4 O20 -","- C94 H46 Cl20 Co2 Gd2 N4 O20 -","- C188 H92 Cl40 Co4 Gd4 N8 O40 -","2","0.5","","Shen, Yue; Jin, Jiuzeng; Yang, Zhen-Yu; Zhao, Jie; Liu, Binqiu; Zhang, Ju-Wen","Syntheses and properties of pH-directed two types of cobalt-lanthanoid heterometallic complexes constructed from 2,5-dichlorobenzoate and 1,10-phenanthroline","CrystEngComm","2024","","","","","10.1039/D4CE00886C","","","0.71073","MoKα","","0.0532","0.038","","","0.0728","0.0779","","","","","","1.114","","","","has coordinates","296027","2024-11-20","23:39:31",""
"7249616","14.2019","0.0007","14.8248","0.0006","14.9537","0.0006","113.627","0.001","105.373","0.001","105.352","0.001","2524.1","0.2","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C94 H46 Cl20 Co2 Eu2 N4 O20 -","- C94 H46 Cl20 Co2 Eu2 N4 O20 -","- C94 H46 Cl20 Co2 Eu2 N4 O20 -","1","0.5","","Shen, Yue; Jin, Jiuzeng; Yang, Zhen-Yu; Zhao, Jie; Liu, Binqiu; Zhang, Ju-Wen","Syntheses and properties of pH-directed two types of cobalt-lanthanoid heterometallic complexes constructed from 2,5-dichlorobenzoate and 1,10-phenanthroline","CrystEngComm","2024","","","","","10.1039/D4CE00886C","","","0.71073","MoKα","","0.042","0.0329","","","0.0753","0.0803","","","","","","1.02","","","","has coordinates","296027","2024-11-20","23:39:31",""
"7249617","13.7057","0.0006","27.3903","0.0012","14.2116","0.0006","90","","107.279","0.001","90","","5094.3","0.4","296.15","","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C94 H46 Cl20 Co2 Dy2 N4 O20 -","- C94 H46 Cl20 Co2 Dy2 N4 O20 -","- C188 H92 Cl40 Co4 Dy4 N8 O40 -","2","0.5","","Shen, Yue; Jin, Jiuzeng; Yang, Zhen-Yu; Zhao, Jie; Liu, Binqiu; Zhang, Ju-Wen","Syntheses and properties of pH-directed two types of cobalt-lanthanoid heterometallic complexes constructed from 2,5-dichlorobenzoate and 1,10-phenanthroline","CrystEngComm","2024","","","","","10.1039/D4CE00886C","","","0.71073","MoKα","","0.0472","0.0366","","","0.0724","0.076","","","","","","1.148","","","","has coordinates","296027","2024-11-20","23:39:31",""
"7249618","13.6555","0.0018","27.197","0.003","14.1467","0.0018","90","","107.317","0.002","90","","5015.8","1.1","296.15","","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C94 H46 Cl20 Co2 N4 O20 Yb2 -","- C94 H46 Cl20 Co2 N4 O20 Yb2 -","- C188 H92 Cl40 Co4 N8 O40 Yb4 -","2","0.5","","Shen, Yue; Jin, Jiuzeng; Yang, Zhen-Yu; Zhao, Jie; Liu, Binqiu; Zhang, Ju-Wen","Syntheses and properties of pH-directed two types of cobalt-lanthanoid heterometallic complexes constructed from 2,5-dichlorobenzoate and 1,10-phenanthroline","CrystEngComm","2024","","","","","10.1039/D4CE00886C","","","0.71073","MoKα","","0.0727","0.0497","","","0.094","0.1013","","","","","","1.158","","","","has coordinates","296027","2024-11-20","23:39:31",""
"7249619","13.7158","0.0015","27.325","0.003","14.1709","0.0016","90","","107.346","0.002","90","","5069.5","1","273.15","","273.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C94 H46 Cl20 Co2 Er2 N4 O20 -","- C94 H46 Cl20 Co2 Er2 N4 O20 -","- C188 H92 Cl40 Co4 Er4 N8 O40 -","2","0.5","","Shen, Yue; Jin, Jiuzeng; Yang, Zhen-Yu; Zhao, Jie; Liu, Binqiu; Zhang, Ju-Wen","Syntheses and properties of pH-directed two types of cobalt-lanthanoid heterometallic complexes constructed from 2,5-dichlorobenzoate and 1,10-phenanthroline","CrystEngComm","2024","","","","","10.1039/D4CE00886C","","","0.71073","MoKα","","0.0524","0.0416","","","0.0869","0.0912","","","","","","1.159","","","","has coordinates","296027","2024-11-20","23:39:31",""
"7249620","13.696","0.005","27.504","0.005","14.247","0.005","90","0.005","107.125","0.005","90","0.005","5129","3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C94 H48 Cl20 Co2 N4 O20 Sm2 -","- C94 H48 Cl20 Co2 N4 O20 Sm2 -","- C188 H96 Cl40 Co4 N8 O40 Sm4 -","2","0.5","","Shen, Yue; Jin, Jiuzeng; Yang, Zhen-Yu; Zhao, Jie; Liu, Binqiu; Zhang, Ju-Wen","Syntheses and properties of pH-directed two types of cobalt-lanthanoid heterometallic complexes constructed from 2,5-dichlorobenzoate and 1,10-phenanthroline","CrystEngComm","2024","","","","","10.1039/D4CE00886C","","","0.71069","MoKα","","0.0523","0.0361","","","0.0764","0.0833","","","","","","1.062","","","","has coordinates","296027","2024-11-20","23:39:31",""
"7249621","13.6871","0.0008","27.4541","0.0016","14.2161","0.0008","90","","107.159","0.001","90","","5104.2","0.5","296.15","","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C94 H46 Cl20 Co2 Eu2 N4 O20 -","- C94 H46 Cl20 Co2 Eu2 N4 O20 -","- C188 H92 Cl40 Co4 Eu4 N8 O40 -","2","0.5","","Shen, Yue; Jin, Jiuzeng; Yang, Zhen-Yu; Zhao, Jie; Liu, Binqiu; Zhang, Ju-Wen","Syntheses and properties of pH-directed two types of cobalt-lanthanoid heterometallic complexes constructed from 2,5-dichlorobenzoate and 1,10-phenanthroline","CrystEngComm","2024","","","","","10.1039/D4CE00886C","","","0.71073","MoKα","","0.0576","0.0405","","","0.0851","0.0919","","","","","","1.073","","","","has coordinates","296027","2024-11-20","23:39:31",""
"7249622","32.329","0.0019","32.329","0.0019","7.1254","0.0005","90","","90","","120","","6449.5","0.7","296","","296","","","","","","","","","3","P 64","P 64","172","","","","- C33.05 H56.45 O2 -","- C32 H54 O2 -","- C192 H324 O12 -","6","1","","Khotchasanthong, Kenika; Pootaeng-On, Yupa; Rayanil, Kanok-on; Sukwattanasinitt, Mongkol; Laksee, Sakchai; Chainok, Kittipong","Structure features of a supramolecular organic framework self-assembled from a chiral natural compound","CrystEngComm","2024","","","","","10.1039/D4CE01008F","","x-ray","0.71073","MoKα","K-L~3~","0.0646","0.0426","","","0.0958","0.1042","","","","","","0.978","","","","has coordinates,has disorder","296028","2024-11-20","23:40:19",""
"7249623","10.201","0.004","10.349","0.004","11.762","0.005","86.291","0.01","74.948","0.008","78.418","0.009","1174.6","0.8","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H50 Cu3 N8 O12 -","- C42 H50 Cu3 N8 O12 -","- C42 H50 Cu3 N8 O12 -","1","0.5","","Benito, Monica; Mahmoudi, Ghodrat; Molins, Elies; Zangrando, Ennio; Servati Gargari, Masoumeh; Gomila, Rosa Maria; Frontera, Antonio; Safin, Damir","Versatile copper(II) discrete and polymeric coordination compounds with (pyridine-2-yl)methylenenicotinohydrazide and azelaic acid","CrystEngComm","2024","","","","","10.1039/D4CE01021C","","x-ray","0.71073","MoKα","","0.2009","0.0992","","","0.2171","0.2669","","","","","","1.056","","","","has coordinates","296029","2024-11-20","23:40:47",""
"7249624","8.7721","0.0012","11.1218","0.0016","13.0204","0.0018","91.724","0.003","107.466","0.003","105.767","0.003","1157.5","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Cu N8 O3 -","- C24 H20 Cu N8 O3 -","- C48 H40 Cu2 N16 O6 -","2","1","","Benito, Monica; Mahmoudi, Ghodrat; Molins, Elies; Zangrando, Ennio; Servati Gargari, Masoumeh; Gomila, Rosa Maria; Frontera, Antonio; Safin, Damir","Versatile copper(II) discrete and polymeric coordination compounds with (pyridine-2-yl)methylenenicotinohydrazide and azelaic acid","CrystEngComm","2024","","","","","10.1039/D4CE01021C","","x-ray","0.71073","MoKα","","0.2104","0.074","","","0.1243","0.1699","","","","","","0.961","","","","has coordinates","296029","2024-11-20","23:40:48",""
"7249625","5.1202","0.0003","7.4808","0.0004","30.0866","0.0017","94.0667","0.0011","92.6734","0.0011","95.8618","0.0012","1141.81","0.11","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H28 Cu N4 O7 -","- C21 H28 Cu N4 O7 -","- C42 H56 Cu2 N8 O14 -","2","1","","Benito, Monica; Mahmoudi, Ghodrat; Molins, Elies; Zangrando, Ennio; Servati Gargari, Masoumeh; Gomila, Rosa Maria; Frontera, Antonio; Safin, Damir","Versatile copper(II) discrete and polymeric coordination compounds with (pyridine-2-yl)methylenenicotinohydrazide and azelaic acid","CrystEngComm","2024","","","","","10.1039/D4CE01021C","","x-ray","0.71073","MoKα","","0.0363","0.0325","","","0.0847","0.0872","","","","","","1.045","","","","has coordinates","296029","2024-11-20","23:40:48",""
"7249626","9.7936","0.0009","9.8228","0.0008","16.0752","0.0014","95.357","0.003","96.286","0.004","107.679","0.003","1451.4","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H30 O7 -","- C34 H30 O7 -","- C68 H60 O14 -","2","1","","Ponraj, Pravinkamaraj; Rajendran, Saravanakumar","Design and synthesis of a novel curcumin–combretastatin A4 molecular skeleton: two pharmacophores","RSC Advances","2024","14","50","37227","37233","10.1039/D4RA06618A","","","0.71073","MoKα","","0.1024","0.0504","","","0.1154","0.1493","","","","","","1.046","","","","has coordinates,has disorder","296040","2024-11-21","02:27:39",""
"7249627","15.043","0.003","7.2223","0.0013","23.229","0.004","90","","100.863","0.005","90","","2478.5","0.8","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 N4 O2 S -","- C27 H28 N4 O2 S -","- C108 H112 N16 O8 S4 -","4","1","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2024","","","","","10.1039/D4CE00992D","","","0.71073","MoKα","","0.126","0.0658","","","0.1601","0.1944","","","","","","1.024","","","","has coordinates","296051","2024-11-21","23:31:03",""
"7249628","3.968","0.002","19.46","0.011","25.084","0.013","90","","91.79","0.02","90","","1936","1.8","297","2","297","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 Cl2 N3 S -","- C22 H15 Cl2 N3 S -","- C88 H60 Cl8 N12 S4 -","4","1","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2024","","","","","10.1039/D4CE00992D","","","0.71073","MoKα","","0.1621","0.0778","","","0.1701","0.2131","","","","","","1.046","","","","has coordinates","296051","2024-11-21","23:31:03",""
"7249629","24.961","0.006","17.276","0.004","14.02","0.003","90","","122.367","0.007","90","","5106","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H30 Cl10 N6 S2 Zn -","- C46 H30 Cl10 N6 S2 Zn -","- C184 H120 Cl40 N24 S8 Zn4 -","4","0.5","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2024","","","","","10.1039/D4CE00992D","","","0.71073","MoKα","","0.0907","0.0773","","","0.221","0.2322","","","","","","1.075","","","","has coordinates","296051","2024-11-21","23:31:03",""
"7249630","31.105","0.003","9.3163","0.001","19.108","0.002","90","","118.737","0.003","90","","4855.2","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H50 N8 O4 S2 Zn -","- C52 H50 N8 O4 S2 Zn -","- C208 H200 N32 O16 S8 Zn4 -","4","0.5","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2024","","","","","10.1039/D4CE00992D","","","0.71073","MoKα","","0.0756","0.0473","","","0.1203","0.1543","","","","","","1.188","","","","has coordinates","296051","2024-11-21","23:31:04",""
"7249631","9.909","0.005","15.867","0.009","18.059","0.01","105.037","0.019","97.95","0.02","103.998","0.019","2599","2","298","2","298","","","","","","","","","6","P -1","-P 1","2","","","","- C46.2 H30.2 Cl10.6 N6 S2 Zn -","- C45 H29 Cl7 N6 S2 Zn -","- C90 H58 Cl14 N12 S4 Zn2 -","2","1","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2024","","","","","10.1039/D4CE00992D","","","0.71073","MoKα","","0.1161","0.0734","","","0.2175","0.2425","","","","","","1.069","","","","has coordinates","296051","2024-11-21","23:31:04",""
"7249632","8.74","0.003","16.268","0.006","18.987","0.007","83.243","0.012","85.719","0.013","85.156","0.013","2665.6","1.7","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H57 N9 O5 S2 Zn -","- C55 H57 N9 O5 S2 Zn -","- C110 H114 N18 O10 S4 Zn2 -","2","1","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2024","","","","","10.1039/D4CE00992D","","","0.71073","MoKα","","0.0839","0.0625","","","0.1655","0.1787","","","","","","1.014","","","","has coordinates","296051","2024-11-21","23:31:05",""
"7249633","8.1754","0.0006","19.3485","0.0014","23.8411","0.0018","90","","90","","90","","3771.2","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H19 N3 O S -","- C23 H19 N3 O S -","- C184 H152 N24 O8 S8 -","8","1","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2024","","","","","10.1039/D4CE00992D","","","0.71073","MoKα","","0.0656","0.0425","","","0.0998","0.1105","","","","","","1.036","","","","has coordinates","296051","2024-11-21","23:31:05",""
"7249634","25.202","0.002","9.4183","0.0009","20.248","0.002","90","","90","","90","","4806.1","0.8","144","2","144","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C46 H30 Cl10 N6 S2 Zn -","- C46 H30 Cl10 N6 S2 Zn -","- C184 H120 Cl40 N24 S8 Zn4 -","4","0.5","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2024","","","","","10.1039/D4CE00992D","","","0.71073","MoKα","","0.0755","0.0677","","","0.1734","0.1827","","","","","","1.042","","","","has coordinates","296051","2024-11-21","23:31:06",""
"7249635","4.4462","0.0003","18.662","0.0014","22.7605","0.0017","90","","90","","90","","1888.6","0.2","298","2","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H15 Cl2 N3 S -","- C22 H15 Cl2 N3 S -","- C88 H60 Cl8 N12 S4 -","4","1","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2024","","","","","10.1039/D4CE00992D","","","0.71073","MoKα","","0.1264","0.0642","","","0.1084","0.1401","","","","","","1.176","","","","has coordinates","296051","2024-11-21","23:31:06",""
"7249636","8.0588","0.0002","12.1638","0.0003","25.1238","0.0006","90","","90","","90","","2462.78","0.1","180","","180","","","","101","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N O4 S -","- C27 H33 N O4 S -","- C108 H132 N4 O16 S4 -","4","1","","Boháček, Vojtěch; Erbenová, Tereza; Malina, Jakub Dávid; Kloubcová, Marie; Šmahel, Michal; Eigner, Václav; T°uma, Jiří","Spectroscopic and photochemical evaluation of stereochemically biased 3′-substituted spiropyran photoswitches","RSC Advances","2024","14","50","37370","37379","10.1039/D4RA07750D","","","1.54178","CuKα","","0.0316","0.0309","","0.0829","0.0822","0.0829","","","","","","0.9793","","","","has coordinates,has disorder","296057","2024-11-22","02:20:18",""
"7249637","10.793","0.0008","10.793","0.0008","10.793","0.0008","90","","90","","90","","1257.26","0.16","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Cs2AgBiCl6","","- Ag Bi Cl6 Cs2 -","- Ag Bi Cl6 Cs2 -","- Ag4 Bi4 Cl24 Cs8 -","4","0.0208333","","Gao, Huidan; Wang, Chen; Shen, Huimeng; Zhou, Huawei; Zhang, Xianxi","Crystal structure, bandgap, photoluminescence and resistivity properties of double perovskite Cs2AgBiCl6 single crystal and its thin film","RSC Advances","2024","14","50","37322","37329","10.1039/D4RA06936F","","","0.71073","MoKα","","0.1557","0.1119","","","0.2493","0.2716","","","","","","1.161","","","","has coordinates","296058","2024-11-22","02:20:52",""
"7249638","7.37282","0.00015","9.47074","0.0002","11.36393","0.00022","90","","103.801","0.0011","90","","770.59","0.03","300","","300","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","HoCr3(BO3)4","- B4 Cr3 Ho O12 -","- B4 Cr3 Ho O12 -","- B16 Cr12 Ho4 O48 -","4","0.5","","Moshkina, Evgeniya; Mikhashenok, Natalya; Kokh, Dieter; Pavlovskiy, Maksim; Cherepakhin, Alexander; Eremin, E. V.; Zolotov, Andrey; Molokeev, Maxim S.","Study of Flux Growth of Cr-Containing Borates and Oxyborates under the Conditions of Low Cr2O3 Solubility","CrystEngComm","2024","","","","","10.1039/D4CE00943F","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.16","2.44","","","","","","","has coordinates","296074","2024-11-22","23:33:44",""
"7249639","5.9","0.003","12.748","0.006","28.745","0.015","90","","95.113","0.019","90","","2153.4","1.9","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 F6 N6 O2 -","- C20 H16 F6 N6 O2 -","- C80 H64 F24 N24 O8 -","4","1","","Huang, Mengjun; Wang, Guoqiang; Li, Heyin; Zou, Zhenlei; Jia, Xingye; Karotsis, Georgios; Pan, Yi; Zhang, Weigang; Ma, Jing; Wang, Yi","EDA complex mediated [3+2] cyclization for the construction of CF3-oxadiazoles","Green Chemistry","2024","","","","","10.1039/D4GC05267F","","","1.34139","GaKα","","0.1061","0.0641","","","0.1601","0.1915","","","","","","1.024","","","","has coordinates","296105","2024-11-26","00:37:24",""
"7249640","10.7282","0.0009","10.7734","0.0009","11.9845","0.0011","85.55","0.002","65.237","0.002","64.849","0.002","1130.01","0.17","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 F3 N5 O3 -","- C25 H18 F3 N5 O3 -","- C50 H36 F6 N10 O6 -","2","1","","Kenguva, Gowtham; Rekha Rout, Smruti; Shaikh, Tabrez R.; Baidya, Debjani; Shelke, Nikita; Sanphui, Palash; Dandela, Rambabu","Exploring Novel Cocrystals of Milrinone: A Cardioprotective Drug Combined with Nutraceuticals and NSAID","CrystEngComm","2024","","","","","10.1039/D4CE00990H","","","0.71073","MoKα","","0.0718","0.0502","","","0.1207","0.1397","","","","","","1.071","","","","has coordinates","296127","2024-11-26","23:34:51",""
"7249641","8.012","0.0003","16.7621","0.0007","12.6282","0.0005","90","","91.0102","0.0003","90","","1695.68","0.12","293.15","","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N3 O4 -","- C19 H15 N3 O4 -","- C76 H60 N12 O16 -","4","1","","Kenguva, Gowtham; Rekha Rout, Smruti; Shaikh, Tabrez R.; Baidya, Debjani; Shelke, Nikita; Sanphui, Palash; Dandela, Rambabu","Exploring Novel Cocrystals of Milrinone: A Cardioprotective Drug Combined with Nutraceuticals and NSAID","CrystEngComm","2024","","","","","10.1039/D4CE00990H","","","0.71073","MoKα","","0.1065","0.0514","","","0.1286","0.1809","","","","","","1.076","","","","has coordinates,has disorder","296127","2024-11-26","23:34:51",""
"7249642","12.1866","0.0013","14.7266","0.0016","26.278","0.003","90","","99.145","0.003","90","","4656.1","0.9","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 N3 O5 -","- C26 H23 N3 O5 -","- C208 H184 N24 O40 -","8","2","","Kenguva, Gowtham; Rekha Rout, Smruti; Shaikh, Tabrez R.; Baidya, Debjani; Shelke, Nikita; Sanphui, Palash; Dandela, Rambabu","Exploring Novel Cocrystals of Milrinone: A Cardioprotective Drug Combined with Nutraceuticals and NSAID","CrystEngComm","2024","","","","","10.1039/D4CE00990H","","","0.71073","MoKα","","0.1347","0.0634","","","0.1572","0.1847","","","","","","0.976","","","","has coordinates","296127","2024-11-26","23:34:51",""
"7249643","8.56884","0.00006","8.56884","0.00006","30.61946","0.00018","90","","90","","120","","1947.03","0.02","169.98","0.1","170","1","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C18 H32 Cu2 N8 O10 -","- C18 H32 Cu2 N8 O10 -","- C54 H96 Cu6 N24 O30 -","3","0.5","","Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judas, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matkovic-Calogovic, Dubravka","Robustness and stability of the L-carnosine copper(II) dimer. Changes in the copper coordination sphere upon heating/solvent substitution","CrystEngComm","2024","","","","","10.1039/D4CE01070A","","","1.54184","CuKα","","0.0336","0.0318","","","0.0746","0.0757","","","","","","1.055","","","","has coordinates,has disorder","296128","2024-11-26","23:35:41",""
"7249644","8.61755","0.00019","8.61755","0.00019","30.5882","0.0006","90","","90","","120","","1967.22","0.07","270","1","270.15","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C18 H32 Cu2 N8 O10 -","- C18 H32 Cu2 N8 O10 -","- C54 H96 Cu6 N24 O30 -","3","0.5","","Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judas, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matkovic-Calogovic, Dubravka","Robustness and stability of the L-carnosine copper(II) dimer. Changes in the copper coordination sphere upon heating/solvent substitution","CrystEngComm","2024","","","","","10.1039/D4CE01070A","","","1.54184","CuKα","","0.0347","0.0313","","","0.0821","0.0849","","","","","","1.046","","","","has coordinates,has disorder","296128","2024-11-26","23:35:41",""
"7249645","12.0896","0.00008","20.35323","0.00015","13.73806","0.00009","90","","90","","90","","3380.42","0.04","100","1","100","1","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C19.41 H30.22 Cu2 N8 O8.59 -","- C19.406 H30.218 Cu2 N8 O8.594 -","- C77.624 H120.872 Cu8 N32 O34.376 -","4","0.5","","Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judas, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matkovic-Calogovic, Dubravka","Robustness and stability of the L-carnosine copper(II) dimer. Changes in the copper coordination sphere upon heating/solvent substitution","CrystEngComm","2024","","","","","10.1039/D4CE01070A","","x-ray","0.7","synchrotron","","0.0296","0.0296","","","0.0805","0.0805","","","","","","1.047","","","","has coordinates,has disorder","296128","2024-11-26","23:35:42",""
"7249646","8.3611","0.001","8.3611","0.001","30.45","0.003","90","","90","","120","","1843.5","0.4","370","1","370","1","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C18 H26 Cu2 N8 O7 -","- C18 H24 Cu2 N8 O7 -","- C54 H72 Cu6 N24 O21 -","3","0.5","","Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judas, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matkovic-Calogovic, Dubravka","Robustness and stability of the L-carnosine copper(II) dimer. Changes in the copper coordination sphere upon heating/solvent substitution","CrystEngComm","2024","","","","","10.1039/D4CE01070A","","","1.54184","CuKα","","0.1029","0.0752","","","0.1967","0.2266","","","","","","0.963","","","","has coordinates,has disorder","296128","2024-11-26","23:35:42",""
"7249647","12.09436","0.00016","13.9509","0.0002","20.3839","0.0003","90","","90","","90","","3439.32","0.08","170","1","170","1","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C18 H28 Cu2 N8 O8 -","- C18 H28 Cu2 N8 O8 -","- C72 H112 Cu8 N32 O32 -","4","0.5","","Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judas, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matkovic-Calogovic, Dubravka","Robustness and stability of the L-carnosine copper(II) dimer. Changes in the copper coordination sphere upon heating/solvent substitution","CrystEngComm","2024","","","","","10.1039/D4CE01070A","","x-ray","1.54184","CuKα","","0.0299","0.0298","","","0.0816","0.0818","","","","","","1.042","","","","has coordinates,has disorder","296128","2024-11-26","23:35:43",""
"7249648","13.3717","0.0009","13.3717","0.0009","36.41","0.002","90","","90","","120","","5638","0.6","150","1","150","1","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C25.5 H54 Cu2 N8 O13.5 -","- C25.5 H54 Cu2 N8 O13.5 -","- C153 H324 Cu12 N48 O81 -","6","1","","Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judas, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matkovic-Calogovic, Dubravka","Robustness and stability of the L-carnosine copper(II) dimer. Changes in the copper coordination sphere upon heating/solvent substitution","CrystEngComm","2024","","","","","10.1039/D4CE01070A","","x-ray","0.71073","MoKα","","0.1463","0.1068","","","0.1967","0.2223","","","","","","1.062","","","","has coordinates,has disorder","296128","2024-11-26","23:35:43",""
"7249649","30.268","0.005","16.968","0.003","14.422","0.002","90","","115.649","0.005","90","","6677.1","1.9","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H41 N2 O2 S -","- C41 H41 N2 O2 S -","- C328 H328 N16 O16 S8 -","8","1","","Ye, Kaiyue; Sukhanov, Andrey; Pang, Yu; Mambetov, Aidar; Li, Minjie; Cao, Liyuan; Zhao, Jianzhang; voronkova, violeta; Peng, Qian; Wan, Yan","Time-Resolved Transient Optical and Electron Paramagnetic Resonance Spectroscopic Studies of Electron Donor-Acceptor Thermally Activated Delayed Fluorescence Emitters based on Naphthalene-Phenothiazine Dyads","Physical Chemistry Chemical Physics","2024","","","","","10.1039/D4CP03629H","","","0.71073","MoKα","","0.1818","0.0779","","","0.1671","0.22","","","","","","1.015","","","","has coordinates","296143","2024-11-28","01:38:47",""
"7249650","7.2425","0.0002","26.0431","0.0009","6.4409","0.0002","90","","90","","90","","1214.86","0.07","292.92","0.1","292.92","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H3 K N O3 -","- C5 H3 K N O3 -","- C40 H24 K8 N8 O24 -","8","1","","Simosono, Cintia Almeida; Flores, Leonã S.; Simões, Tatiana Renata Gomes; do Pim, Walace Doti; Julve, Miguel; Marinho, Maria Vanda","Oxamate-Based Potassium-Organic Assembly With the Uncommon Binodal (6,12)-Coordinated alb Topology","CrystEngComm","2024","","","","","10.1039/D4CE01066C","","x-ray","0.71073","MoKα","","0.0402","0.0339","","","0.0764","0.0793","","","","","","1.066","","","","has coordinates","296149","2024-11-28","23:27:21",""
"7249651","7.0109","0.0012","9.4488","0.0015","14.183","0.002","106.746","0.002","90.909","0.002","103.745","0.002","870.3","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Fe4 Mo4 N4 O20 -","- C20 H24 Fe4 Mo4 N4 O20 -","- C20 H24 Fe4 Mo4 N4 O20 -","1","0.5","","Li, Xin; Zu, Mohan; Yan, Linzhuo; Zhao, Qiang; Liu, Liu","Synthesis of a highly stable Mo–Fe bimetallic metal–organic framework and its catalytic activity for the selective oxidation of sulfides under mild conditions","RSC Advances","2024","14","51","38002","38008","10.1039/D4RA06324D","","","0.71073","MoKα","","0.0483","0.0444","","","0.1471","0.1549","","","","","","1.06","","","","has coordinates,has disorder","296155","2024-11-29","02:03:02",""
"7249652","8.1644","0.001","14.9055","0.0016","15.8041","0.0018","90","","103.034","0.004","90","","1873.7","0.4","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H18 Cu I3 N4 -","- C10 H18 Cu I3 N4 -","- C40 H72 Cu4 I12 N16 -","4","0.5","","Han, Jiali; Zhu, Shujun; Chen, Xinxin; Zhou, Haichao; Pan, Jianguo; Pan, Shangke","Optical properties of [MMim]2[CuI3] crystals with 0D single-core trigonal planar structures","CrystEngComm","2024","","","","","10.1039/D4CE00750F","","x-ray","0.71073","MoKα","","0.0406","0.0322","","","0.0705","0.0757","","","","","","1.028","","","","has coordinates","296171","2024-11-29","23:33:08",""
"7249653","8.7857","0.0005","18.8668","0.0011","20.7919","0.0013","113.758","0.002","95.709","0.002","102.086","0.002","3018.7","0.3","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H32 N6 O16 S3 Tb3 -","- C60 H32 N6 O16 S3 Tb3 -","- C120 H64 N12 O32 S6 Tb6 -","2","1","","Xu, Shixian; Lu, Na; Wang, Li; Liu, Sui-Jun","Chain-based fluorescent TbIII metal-organic framework with good stability as a blue-shift and turn-on sensor toward H2PO4−","CrystEngComm","2024","","","","","10.1039/D4CE01073F","","","0.71073","MoKα","","0.0786","0.0562","","","0.1401","0.1535","","","","","","1.036","","","","has coordinates","296182","2024-12-02","23:33:37",""
"7249654","6.514","0.0001","32.543","0.0008","12.9337","0.0003","90","","92.843","0.002","90","","2738.38","0.1","100","0.1","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H6 N16 O16 -","- C22.006 H6 N16.006 O16.006 -","- C88.024 H24 N64.024 O64.024 -","4","1","","Baraboshkin, Nikita; Zelenov, Victor Petrovich; Fedyanin, Ivan V.; Samigullina, Aida I.; Klenov, Michael S.","Cocrystals of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides and 1,5-dioxides: step-by-step development of crystal engineering of energetic materials","CrystEngComm","2024","","","","","10.1039/D4CE01081G","","x-ray","1.54184","CuKα","","0.0962","0.0935","","","0.2444","0.2462","","","","","","1.058","","","","has coordinates,has disorder","296183","2024-12-02","23:34:19",""
"7249655","7.5638","0.0002","9.2989","0.0002","15.196","0.0004","93.97","0.001","92.746","0.001","100.653","0.001","1045.86","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H8 N14 O9 -","- C18 H8 N14 O9 -","- C36 H16 N28 O18 -","2","1","","Baraboshkin, Nikita; Zelenov, Victor Petrovich; Fedyanin, Ivan V.; Samigullina, Aida I.; Klenov, Michael S.","Cocrystals of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides and 1,5-dioxides: step-by-step development of crystal engineering of energetic materials","CrystEngComm","2024","","","","","10.1039/D4CE01081G","","","0.71073","MoKα","","0.0889","0.0481","","","0.1228","0.155","","","","","","1.03","","","","has coordinates,has disorder","296183","2024-12-02","23:34:20",""
"7249656","7.6589","0.0003","8.3363","0.0003","22.852","0.0013","96.08","0.004","94.163","0.004","97.24","0.003","1433.78","0.11","146.55","0.16","146.55","0.16","","","","","","","","5","P -1","-P 1","2","","","","- C31 H24 Cd2 N9 O8 -","- C31 H23 Cd2 N9 O8 -","- C62 H46 Cd4 N18 O16 -","2","1","","Zhao, Yan; Zhou, Xing; Liu, Zheng-Yu; Wang, Jiajun; Ding, Bo; Liu, Gui-Xi; Yang, En-Cui","Tailoring the coordination microenvironment of Zn(II) in a light-responsive coordination polymer system for molecular sensing and photodegradation performance","CrystEngComm","2024","","","","","10.1039/D4CE00952E","","x-ray","0.71073","MoKα","","0.041","0.0323","","","0.0634","0.069","","","","","","1.031","","","","has coordinates","296184","2024-12-02","23:35:00",""
"7249657","28.303","0.004","11.5779","0.0017","18.807","0.003","90","","128.062","0.002","90","","4852.3","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24.5 H19 Cd N9 O5.5 -","- C24.5 H19 Cd N9 O5.5 -","- C196 H152 Cd8 N72 O44 -","8","1","","Zhao, Yan; Zhou, Xing; Liu, Zheng-Yu; Wang, Jiajun; Ding, Bo; Liu, Gui-Xi; Yang, En-Cui","Tailoring the coordination microenvironment of Zn(II) in a light-responsive coordination polymer system for molecular sensing and photodegradation performance","CrystEngComm","2024","","","","","10.1039/D4CE00952E","","","0.71073","MoKα","","0.0407","0.0288","","","0.0638","0.0674","","","","","","1.031","","","","has coordinates","296184","2024-12-02","23:35:00",""
"7249658","12.7084","0.0018","14.097","0.002","14.426","0.002","82.747","0.003","83.256","0.003","75.061","0.002","2467.4","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H38.5 Cd2 Cl0.5 N18 O11 -","- C49 H38.5 Cd2 Cl0.5 N18 O11 -","- C98 H77 Cd4 Cl N36 O22 -","2","1","","Zhao, Yan; Zhou, Xing; Liu, Zheng-Yu; Wang, Jiajun; Ding, Bo; Liu, Gui-Xi; Yang, En-Cui","Tailoring the coordination microenvironment of Zn(II) in a light-responsive coordination polymer system for molecular sensing and photodegradation performance","CrystEngComm","2024","","","","","10.1039/D4CE00952E","","","0.71073","MoKα","","0.0478","0.0397","","","0.109","0.1122","","","","","","1.067","","","","has coordinates","296184","2024-12-02","23:35:01",""
"7249659","15.9636","0.0003","6.6463","0.0001","11.5269","0.0002","90","","98.41","0.002","90","","1209.84","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 N4 O3 -","- C11 H14 N4 O3 -","- C44 H56 N16 O12 -","4","1","","Zhao, Yue; Hu, Chun-Li; Chen, Peng-Fei; Zhang, Ming-Zhi; Mao, Jiang-Gao","Chiral-driven formation of hybrid cyanurates with large birefringence","CrystEngComm","2024","","","","","10.1039/D4CE01123F","","x-ray","1.54184","CuKα","","0.0437","0.038","","","0.1038","0.1089","","","","","","1.066","","","","has coordinates","296185","2024-12-02","23:35:21",""
"7249660","7.8402","0.0001","12.4111","0.0001","12.473","0.0001","90","","96.746","0.001","90","","1205.29","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","S-a-MBACY","","- C11 H14 N4 O3 -","- C11 H14 N4 O3 -","- C44 H56 N16 O12 -","4","2","","Zhao, Yue; Hu, Chun-Li; Chen, Peng-Fei; Zhang, Ming-Zhi; Mao, Jiang-Gao","Chiral-driven formation of hybrid cyanurates with large birefringence","CrystEngComm","2024","","","","","10.1039/D4CE01123F","","x-ray","1.54184","CuKα","","0.0336","0.0329","","","0.0907","0.0915","","","","","","1.056","","","","has coordinates","296185","2024-12-02","23:35:22",""
"7249661","7.8401","0.0001","12.4094","0.0001","12.4685","0.0001","90","","96.71","0.001","90","","1204.76","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H14 N4 O3 -","- C11 H14 N4 O3 -","- C44 H56 N16 O12 -","4","2","","Zhao, Yue; Hu, Chun-Li; Chen, Peng-Fei; Zhang, Ming-Zhi; Mao, Jiang-Gao","Chiral-driven formation of hybrid cyanurates with large birefringence","CrystEngComm","2024","","","","","10.1039/D4CE01123F","","x-ray","1.54184","CuKα","","0.0416","0.0388","","","0.1042","0.107","","","","","","1.049","","","","has coordinates","296185","2024-12-02","23:35:22",""
"7249662","15.5314","0.0009","4.1737","0.0002","14.2425","0.0009","90","","90.82","0.006","90","","923.15","0.09","304.23","0.1","304.23","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","1","","Yuan, Yong; Liu, Xincong; Zhang, Feng; Bai, Chunyan; Tao, Yuyan; Bao, Xiazhen; Ji, Dongsheng; Huo, Congde","Electrochemical dehydrogenative annulation for the synthesis of 4-oxo-oxazolines","Green Chemistry","2024","","","","","10.1039/D4GC05119J","","x-ray","0.71073","MoKα","","0.0707","0.0455","","","0.1235","0.1446","","","","","","1.021","","","","has coordinates","296189","2024-12-03","00:38:16",""
"7249663","9.6534","0.0018","9.6534","0.0018","16.438","0.005","90","","90","","120","","1326.6","0.5","120.15","","298.15","","","","","","","","","4","P 63 m c","P 6c -2c","186","Phpm","TAC-HMTA","","- C18 H30 N14 S6 -","- C18 H30 N14 S6 -","- C36 H60 N28 S12 -","2","0.166667","","Yan, Wenjin; Wang, Tianwei; Zhang, Shufen; Lu, Rongwen; Hu, Yingxin; Chen, longming; Pang, Chaoran; Wang, Peng","Two Stacking Types of Three–Dimensional Structure Cocrystals Based on Multiple Hydrogen Bonds","CrystEngComm","2024","","","","","10.1039/D4CE01071J","","","0.71073","MoKα","","0.0598","0.0455","","","0.1058","0.114","","","","","","1.057","","","","has coordinates","296220","2024-12-04","23:31:41",""
"7249665","6.1429","0.00003","8.10668","0.00005","17.96048","0.00008","90","","93.279","0.0005","90","","892.941","0.008","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H3 Br N4 O3 -","- C8 H3 Br N4 O3 -","- C32 H12 Br4 N16 O12 -","4","1","","Zelenov, Victor Petrovich; Fedyanin, Ivan V.; Samigullina, Aida I.; Larin, Alexander; Sheremetev, Aleksei B.","R-substituent vs exocyclic oxygen: influence on synthesis and crystal packing of R-[1,2,5]oxadiazolo[3,4-c]cinnoline mono- and dioxides","CrystEngComm","2024","","","","","10.1039/D4CE01068J","","x-ray","1.54184","CuKα","","0.022","0.022","","","0.0524","0.0524","","","","","","1.18","","","","has coordinates","296222","2024-12-04","23:32:35",""
"7249666","8.6295","0.0002","6.38437","0.00016","16.6319","0.0004","90","","91.796","0.002","90","","915.87","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H3 Br N4 O3 -","- C8 H3 Br N4 O3 -","- C32 H12 Br4 N16 O12 -","4","1","","Zelenov, Victor Petrovich; Fedyanin, Ivan V.; Samigullina, Aida I.; Larin, Alexander; Sheremetev, Aleksei B.","R-substituent vs exocyclic oxygen: influence on synthesis and crystal packing of R-[1,2,5]oxadiazolo[3,4-c]cinnoline mono- and dioxides","CrystEngComm","2024","","","","","10.1039/D4CE01068J","","x-ray","1.54184","CuKα","","0.0259","0.0254","","","0.0697","0.0701","","","","","","1.112","","","","has coordinates","296222","2024-12-04","23:32:37",""
"7249667","8.14289","0.0001","5.60083","0.00007","9.26194","0.00011","90","","105.499","0.0013","90","","407.048","0.009","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H3 F N4 O3 -","- C8 H3 F N4 O3 -","- C16 H6 F2 N8 O6 -","2","1","","Zelenov, Victor Petrovich; Fedyanin, Ivan V.; Samigullina, Aida I.; Larin, Alexander; Sheremetev, Aleksei B.","R-substituent vs exocyclic oxygen: influence on synthesis and crystal packing of R-[1,2,5]oxadiazolo[3,4-c]cinnoline mono- and dioxides","CrystEngComm","2024","","","","","10.1039/D4CE01068J","","x-ray","1.54184","CuKα","","0.0283","0.0282","","","0.0713","0.0714","","","","","","1.082","","","","has coordinates","296222","2024-12-04","23:32:37",""
"7249668","8.2076","0.0003","6.3054","0.0002","8.5808","0.0003","90","","108.588","0.003","90","","420.91","0.03","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C9 H6 N4 O2 -","- C9 H6 N4 O2 -","- C18 H12 N8 O4 -","2","0.5","","Zelenov, Victor Petrovich; Fedyanin, Ivan V.; Samigullina, Aida I.; Larin, Alexander; Sheremetev, Aleksei B.","R-substituent vs exocyclic oxygen: influence on synthesis and crystal packing of R-[1,2,5]oxadiazolo[3,4-c]cinnoline mono- and dioxides","CrystEngComm","2024","","","","","10.1039/D4CE01068J","","x-ray","1.54184","CuKα","","0.04","0.0382","","","0.1027","0.1041","","","","","","1.097","","","","has coordinates","296222","2024-12-04","23:32:38",""
"7249669","5.89689","0.00013","8.54466","0.00018","9.10721","0.00012","77.3481","0.0015","87.0582","0.0015","80.0249","0.0018","440.931","0.015","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H6 N4 O3 -","- C9 H6 N4 O3 -","- C18 H12 N8 O6 -","2","1","","Zelenov, Victor Petrovich; Fedyanin, Ivan V.; Samigullina, Aida I.; Larin, Alexander; Sheremetev, Aleksei B.","R-substituent vs exocyclic oxygen: influence on synthesis and crystal packing of R-[1,2,5]oxadiazolo[3,4-c]cinnoline mono- and dioxides","CrystEngComm","2024","","","","","10.1039/D4CE01068J","","x-ray","1.54184","CuKα","","0.037","0.0359","","","0.0994","0.1004","","","","","","1.062","","","","has coordinates","296222","2024-12-04","23:32:38",""
"7249687","8.5511","0.0003","37.3176","0.0014","16.5685","0.0005","90","","94.354","0.003","90","","5271.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H34 Cl2 F18 N6 O7 -","- C52 H34 Cl2 F18 N6 O7 -","- C208 H136 Cl8 F72 N24 O28 -","4","1","","Fang, Zong-Bin; xiao, yuefeng; Chen, Xinyao; Zhou, Lingyu; Qiaomei, Lu; Xiao, Wang-Dong; Wu, Shu-Ting; Chen, Li","Solubility, crystallization process optimization, thermal property of Afoxolaner and the single crystal structure for its hydrate","CrystEngComm","2024","","","","","10.1039/D4CE00975D","","","1.3405","GaKα","","0.1876","0.1374","","","0.3951","0.4182","","","","","","1.556","","","","has coordinates,has disorder","296834","2024-12-10","23:38:01",""
"7249694","32.4449","0.0014","8.4715","0.0003","17.0615","0.0007","90","","90","","90","","4689.5","0.3","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C29 H23 N O3 S -","- C29 H23 N O3 S -","- C232 H184 N8 O24 S8 -","8","1","","Mutra, Mohana Reddy; Chandana, T. L.; Wang, Jeh-Jeng","Atom-economical and workup-free multiparticipation of p‑TsOH in yne-ynamides skeletal reshuffle: Access to regiospecific, chemospecific, and stereospecific (E)‑alkenyl sulfonate/ketone– tethered indoles","Green Chemistry","2024","","","","","10.1039/D4GC05876C","","","0.71073","MoKα","","0.0551","0.0425","","","0.118","0.1296","","","","","","1.039","","","","has coordinates","296868","2024-12-14","00:35:56",""
"7249695","10.0336","0.0002","11.9429","0.0002","13.2152","0.0002","87.388","0.001","78.345","0.001","75.543","0.001","1501.8","0.05","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H29 N O5 S2 -","- C36 H29 N O5 S2 -","- C72 H58 N2 O10 S4 -","2","1","","Mutra, Mohana Reddy; Chandana, T. L.; Wang, Jeh-Jeng","Atom-economical and workup-free multiparticipation of p‑TsOH in yne-ynamides skeletal reshuffle: Access to regiospecific, chemospecific, and stereospecific (E)‑alkenyl sulfonate/ketone– tethered indoles","Green Chemistry","2024","","","","","10.1039/D4GC05876C","","x-ray","0.71073","MoKα","","0.0439","0.0369","","","0.0967","0.101","","","","","","1.095","","","","has coordinates","296868","2024-12-14","00:35:58",""
"7249696","13.4568","0.0002","16.4098","0.0002","8.2521","0.0001","90","","94.707","0.001","90","","1816.11","0.04","119.9","0.5","119.9","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 F2 N O -","- C23 H19 F2 N O -","- C92 H76 F8 N4 O4 -","4","1","","Sato, Kazuyuki; Kuroki, Tomohiro; Minami, Haruka; Sato, Azusa; Karuo, Yukiko; Tarui, Atsushi; Kawai, Kentaro; Omote, Masaaki","Electrophilic aromatic substitution using fluorinated isoxazolines at the C5 position via C–F bond cleavage","RSC Advances","2024","14","53","39543","39549","10.1039/D4RA07102F","","x-ray","1.54184","CuKα","","0.0479","0.045","","","0.1061","0.1079","","","","","","1.086","","","","has coordinates","296887","2024-12-17","02:09:23",""
"7249697","17.3894","0.0002","6.2137","0.0001","16.7372","0.0002","90","","96.21","0.001","90","","1797.88","0.04","120","0.4","120","0.4","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 F2 N O -","- C23 H19 F2 N O -","- C92 H76 F8 N4 O4 -","4","1","","Sato, Kazuyuki; Kuroki, Tomohiro; Minami, Haruka; Sato, Azusa; Karuo, Yukiko; Tarui, Atsushi; Kawai, Kentaro; Omote, Masaaki","Electrophilic aromatic substitution using fluorinated isoxazolines at the C5 position via C–F bond cleavage","RSC Advances","2024","14","53","39543","39549","10.1039/D4RA07102F","","x-ray","1.54184","CuKα","","0.0404","0.0379","","","0.0895","0.0912","","","","","","1.078","","","","has coordinates","296887","2024-12-17","02:09:24",""
"7249698","8.1405","0.0001","12.0794","0.0001","17.1421","0.0003","96.31","0.001","97.164","0.001","93.991","0.001","1656.39","0.04","120","0.5","120","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 F2 N2 O -","- C20 H16 F2 N2 O -","- C80 H64 F8 N8 O4 -","4","2","","Sato, Kazuyuki; Kuroki, Tomohiro; Minami, Haruka; Sato, Azusa; Karuo, Yukiko; Tarui, Atsushi; Kawai, Kentaro; Omote, Masaaki","Electrophilic aromatic substitution using fluorinated isoxazolines at the C5 position via C–F bond cleavage","RSC Advances","2024","14","53","39543","39549","10.1039/D4RA07102F","","x-ray","1.54184","CuKα","","0.0547","0.0486","","","0.1357","0.1394","","","","","","1.066","","","","has coordinates,has disorder","296887","2024-12-17","02:09:24",""
"7249707","12.2627","0.0005","8.4254","0.0004","16.0986","0.0006","90","","101.59","0.001","90","","1629.36","0.12","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C68 H84 N4 O16 -","4","1","","Lu, Jia-Min; Mao, Yihui; Guo, Qi-hang; Zhong, Chengcheng; Gao, Xian-Ge; Fang, Qun; Lu, Zhan","Metal-free stereoselective intramolecular oxyamination of al-kynes using a robotic and rapid photocatalytic synthesis and screening system","Green Chemistry","2024","","","","","10.1039/D4GC05100A","","","0.71073","MoKα","","0.0594","0.0456","","","0.0951","0.1046","","","","","","1.092","","","","has coordinates","296908","2024-12-18","00:42:09",""
"7714371","16.795","0.0017","16.825","0.0012","33.0377","0.0019","75.558","0.006","78.046","0.007","89.23","0.007","8837.4","1.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C162 H93 Cl8 Fe4 N39 O56 -","- C162 H93 Cl8 Fe4 N39 O56 -","- C324 H186 Cl16 Fe8 N78 O112 -","2","1","","Li, Weiyang; Li, Xiaochun; Robeyns, Koen; Wolff, Mariusz; Kfoury, Joseph; Oláh, Julianna; Herchel, Radovan; Demeshko, Serhiy; Meyer, Franc; Garcia, Yann","Spin-state versatility in FeII4L<sub>6</sub> supramolecular cages with a pyridyl-hydrazone ligand scaffold modulated by solvents and counter anions.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1449","1459","10.1039/d3dt02474a","","","0.71073","MoKα","","0.1683","0.0951","","","0.2111","0.2372","","","","","","1.281","","","","has coordinates,has disorder","289511","2024-02-04","11:59:18",""
"7714372","28.3061","0.0004","22.1383","0.0002","70.1304","0.0009","90","","98.3311","0.0013","90","","43483.4","0.9","100","2","100","2","","","","","","","","7","I 1 a 1","I -2ya","9","","","","- C347 H201 F39 Fe8 N83 O87 S13 -","- C347 H201 F39 Fe8 N83 O87 S13 -","- C1388 H804 F156 Fe32 N332 O348 S52 -","4","1","","Li, Weiyang; Li, Xiaochun; Robeyns, Koen; Wolff, Mariusz; Kfoury, Joseph; Oláh, Julianna; Herchel, Radovan; Demeshko, Serhiy; Meyer, Franc; Garcia, Yann","Spin-state versatility in FeII4L<sub>6</sub> supramolecular cages with a pyridyl-hydrazone ligand scaffold modulated by solvents and counter anions.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1449","1459","10.1039/d3dt02474a","","","0.71073","MoKα","","0.0883","0.0748","","","0.188","0.1987","","","","","","1.141","","","","has coordinates","289511","2024-02-04","11:59:18",""
"7714484","10.3693","0.0007","22.8549","0.0015","18.8063","0.0013","90","","94.72","0.006","90","","4441.8","0.5","128","","128","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H73 Br Fe P2 Si -","- C46 H73 Br Fe P2 Si -","- C184 H292 Br4 Fe4 P8 Si4 -","4","1","","Suga, Yuto; Sunada, Yusuke","Reduction-induced hapticity increase in a silacycle-bridged biaryl-based ligand coordinated to an iron center.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","862","865","10.1039/d3dt03788f","","","0.71073","MoKα","","0.1961","0.0794","","","0.1204","0.1558","","","","","","0.996","","","","has coordinates","289534","2024-02-04","12:04:10",""
"7714485","12.3907","0.0002","17.3731","0.0003","19.8465","0.0004","90","","96.6727","0.0017","90","","4243.31","0.13","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H73 Fe P2 Si -","- C46 H73 Fe P2 Si -","- C184 H292 Fe4 P8 Si4 -","4","1","","Suga, Yuto; Sunada, Yusuke","Reduction-induced hapticity increase in a silacycle-bridged biaryl-based ligand coordinated to an iron center.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","862","865","10.1039/d3dt03788f","","","0.4144","synchrotron","","0.0758","0.0464","","","0.106","0.1164","","","","","","1.051","","","","has coordinates","289534","2024-02-04","12:04:10",""
"7714520","14.6262","0.0019","14.793","0.0018","17","0.002","90","","104.493","0.004","90","","3561.2","0.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 Cl N6 O11.5 P2 Ru -","- C32 H36 Cl N6 O11.5 P2 Ru -","- C128 H144 Cl4 N24 O46 P8 Ru4 -","4","1","","Morozkov, Gleb V.; Abel, Anton S.; Lyssenko, Konstantin A.; Roznyatovsky, Vitaly A.; Averin, Alexei D.; Beletskaya, Irina P.; Bessmertnykh-Lemeune, Alla","Ruthenium(II) complexes with phosphonate-substituted phenanthroline ligands as reusable photoredox catalysts.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","535","551","10.1039/d3dt02936k","","","0.71073","MoKα","","0.084","0.06","","","0.1442","0.1627","","","","","","1.098","","","","has coordinates,has disorder","289521","2024-02-04","12:01:23",""
"7714535","13.8068","0.0012","20.3436","0.0017","14.7359","0.0013","90","","92.102","0.003","90","","4136.2","0.6","150","2","149.98","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 Cl2 Co N6 O11 -","- C40 H42 Cl2 Co N6 O11 -","- C160 H168 Cl8 Co4 N24 O44 -","4","1","","Deng, Yi-Fei; Wang, Yi-Nuo; Zhao, Xin-Hua; Zhang, Yuan-Zhu","Exploring a prototype for cooperative structural phase transition in cobalt(II) spin crossover compounds.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","699","705","10.1039/d3dt03529h","","","0.71073","MoKα","","0.0769","0.0667","","","0.1606","0.1676","","","","","","1.053","","","","has coordinates,has disorder","289516","2024-02-04","12:00:29",""
"7714536","13.266","0.0018","17.777","0.002","15.553","0.002","90","","108.877","0.006","90","","3470.6","0.8","250.01","","250.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H62 Cl4 Co2 N10 O18 -","- C66 H62 Cl4 Co2 N10 O18 -","- C132 H124 Cl8 Co4 N20 O36 -","2","0.5","","Deng, Yi-Fei; Wang, Yi-Nuo; Zhao, Xin-Hua; Zhang, Yuan-Zhu","Exploring a prototype for cooperative structural phase transition in cobalt(II) spin crossover compounds.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","699","705","10.1039/d3dt03529h","","","0.71073","MoKα","","0.0879","0.0783","","","0.2138","0.2223","","","","","","1.084","","","","has coordinates","289516","2024-02-04","12:00:29",""
"7714537","14.1227","0.0011","14.6411","0.0011","16.7951","0.0013","90","","104.193","0.003","90","","3366.7","0.5","99.99","","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H62 Cl4 Co2 N10 O18 -","- C66 H62 Cl4 Co2 N10 O18 -","- C132 H124 Cl8 Co4 N20 O36 -","2","0.5","","Deng, Yi-Fei; Wang, Yi-Nuo; Zhao, Xin-Hua; Zhang, Yuan-Zhu","Exploring a prototype for cooperative structural phase transition in cobalt(II) spin crossover compounds.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","699","705","10.1039/d3dt03529h","","","0.71073","MoKα","","0.1173","0.0808","","","0.1598","0.1739","","","","","","1.069","","","","has coordinates","289516","2024-02-04","12:00:29",""
"7714538","17.715","0.0015","13.7858","0.0013","16.334","0.0015","90","","105.434","0.003","90","","3845.2","0.6","300","2","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 Cl2 Co N6 O8 -","- C38 H34 Cl2 Co N6 O8 -","- C152 H136 Cl8 Co4 N24 O32 -","4","1","","Deng, Yi-Fei; Wang, Yi-Nuo; Zhao, Xin-Hua; Zhang, Yuan-Zhu","Exploring a prototype for cooperative structural phase transition in cobalt(II) spin crossover compounds.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","699","705","10.1039/d3dt03529h","","","0.71073","MoKα","","0.0761","0.0642","","","0.172","0.1819","","","","","","1.029","","","","has coordinates,has disorder","289516","2024-02-04","12:00:29",""
"7714539","40.42","0.005","7.1577","0.0009","24.126","0.003","90","","105.011","0.004","90","","6741.8","1.5","250.19","","250.19","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H64 Cl4 Co2 N10 O18 -","- C66 H64 Cl4 Co2 N10 O18 -","- C264 H256 Cl16 Co8 N40 O72 -","4","0.5","","Deng, Yi-Fei; Wang, Yi-Nuo; Zhao, Xin-Hua; Zhang, Yuan-Zhu","Exploring a prototype for cooperative structural phase transition in cobalt(II) spin crossover compounds.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","699","705","10.1039/d3dt03529h","","","0.71073","MoKα","","0.0792","0.0597","","","0.1597","0.1761","","","","","","1.054","","","","has coordinates,has disorder","289516","2024-02-04","12:00:29",""
"7714542","11.6402","0.0016","29.21","0.004","20.134","0.003","90","","91.112","0.005","90","","6844.5","1.7","295","2","295","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C H Cl0 F Fe Ir N O P S -","- C6.16216 Cl0.216216 F1.2973 Fe0.216216 Ir0.216216 N0.648649 P0.216216 S0.216216 -","- C228 Cl8 F48 Fe8 Ir8 N24 P8 S8 -","37","9.25","","Liu, Xicheng; Lv, Ao; Zhang, Pei; Chang, Jiaying; Dong, Ruixiao; Liu, Mengxian; Liu, Jiayi; Huang, Xiaoqing; Yuan, Xiang-Ai; Liu, Zhe","The anticancer application of half-sandwich iridium(III) ferrocene-thiosemicarbazide Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","552","563","10.1039/d3dt02879h","","","0.71073","MoKα","","0.0687","0.0544","","","0.165","0.1791","","","","","","1.064","","","","has coordinates","289530","2024-02-04","12:03:34",""
"7714543","10.3351","0.0004","10.7704","0.0004","15.9693","0.0005","91.472","0.002","100.354","0.002","103.714","0.002","1694.45","0.11","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H31 B Co F2 N4 O7 -","- C38 H31 B Co F2 N4 O7 -","- C76 H62 B2 Co2 F4 N8 O14 -","2","1","","Gupta, Gajendra; Gusmão, Filipe; Paul, Anup; Šljukić, Biljana; Santos, Diogo M. F.; Lee, Junseong; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.; Lee, Chang Yeon","A mixed-ligand Co metal-organic framework and its carbon composites as excellent electrocatalysts for the oxygen evolution reaction in green-energy devices.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5001","5009","10.1039/d3dt02421k","","","0.71073","MoKα","","0.1237","0.0628","","","0.1227","0.1464","","","","","","1.011","","","","has coordinates","290957","2024-04-04","23:30:14",""
"7714553","9.1272","0.0003","14.1154","0.0004","20.6307","0.0007","90","","95.093","0.003","90","","2647.44","0.15","301.74","0.1","301.74","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Eu N8 O10 -","- C22 H22 Eu N8 O10 -","- C88 H88 Eu4 N32 O40 -","4","1","","Wang, Haolong; Gao, Pengyuan; Cui, Tengfei; Wang, Dongqi; Liu, Jinping; He, Hui; Chen, Zongyuan; Jin, Qiang; Guo, Zhijun","New asymmetric tetradentate phenanthroline chelators with pyrazole and amide groups for complexation and solvent extraction of Ln(III)/Am(III).","Dalton transactions (Cambridge, England : 2003)","2024","53","2","601","611","10.1039/d3dt03194b","","x-ray","0.71073","MoKα","","0.0409","0.0282","","","0.0652","0.0708","","","","","","1.018","","","","has coordinates","289531","2024-02-04","12:03:40",""
"7714560","13.8237","0.0002","8.7247","0.0001","16.4465","0.0002","90","","101.415","0.001","90","","1944.34","0.04","200","0.3","200","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H25 Br2 N3 Pd -","- C16 H25 Br2 N3 Pd -","- C64 H100 Br8 N12 Pd4 -","4","1","","Ibáñez-Ibáñez, Laura; Mollar-Cuni, Andres; Apaloo-Messan, Edmond; Sharma, Akhilesh K.; Mata, Jose A.; Maseras, Feliu; Vicent, Cristian","Ion mobility mass spectrometry uncovers regioselectivity in the carboxylate-assisted C-H activation of palladium N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","656","665","10.1039/d3dt02793g","","x-ray","1.54184","CuKα","","0.0239","0.0234","","","0.0584","0.0588","","","","","","1.0386","","","","has coordinates","289514","2024-02-04","12:00:07",""
"7714562","13.2622","0.0007","14.8135","0.0007","17.249","0.0009","90","","101.332","0.002","90","","3322.7","0.3","119","2","119","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 Cl Cu N5 O6 -","- C31 H24 Cl Cu N5 O6 -","- C124 H96 Cl4 Cu4 N20 O24 -","4","1","","Singh, Ovender; Singh, Anshu; Maji, Ankur; Chauhan, Rahul; Gupta, Puneet; Ghosh, Kaushik","Crystal structure of a phenoxyl radical complex relevant to the metal site of the galactose oxidase enzyme: A facile one-pot synthesis, evidence for hydrogen atom transfer and DNA cleavage <i>via</i> self-activation.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","986","995","10.1039/d3dt03282e","","","0.71073","MoKα","","0.0359","0.0329","","","0.0941","0.0959","","","","","","1.051","","","","has coordinates","289549","2024-02-04","12:08:31",""
"7714563","24.281","0.001","11.9133","0.0005","18.146","0.0008","90","","103.321","0.002","90","","5107.8","0.4","105","2","105","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H55 Cu0.922 N6 O5 -","- C47 H55 Cu0.9227 N6 O5 -","- C188 H220 Cu3.6908 N24 O20 -","4","1","","Singh, Ovender; Singh, Anshu; Maji, Ankur; Chauhan, Rahul; Gupta, Puneet; Ghosh, Kaushik","Crystal structure of a phenoxyl radical complex relevant to the metal site of the galactose oxidase enzyme: A facile one-pot synthesis, evidence for hydrogen atom transfer and DNA cleavage <i>via</i> self-activation.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","986","995","10.1039/d3dt03282e","","","0.71073","MoKα","","0.0998","0.0597","","","0.1646","0.1981","","","","","","1.0972","","","","has coordinates","289549","2024-02-04","12:08:31",""
"7714564","12.6439","0.0006","9.173","0.0004","15.4836","0.0007","90","","112.955","0.006","90","","1653.62","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 F3 O3 S Se -","- C14 H13 F3 O3 S Se -","- C56 H52 F12 O12 S4 Se4 -","4","1","","Singh, Mahender; Yadav, Aakash; Singh, Ranjit; Pradeep, Chullikkattil P.","Aryl selenonium <i>vs.</i> aryl sulfonium counterions in polyoxometalate chemistry: the impact of Se<sup>+</sup> cationic centers on the photocatalytic reduction of dichromate.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","724","737","10.1039/d3dt03465h","","x-ray","1.54184","CuKα","","0.0432","0.0375","","","0.096","0.1028","","","","","","1.0437","","","","has coordinates","289529","2024-02-04","12:03:28",""
"7714565","20.2471","0.0008","12.976","0.0005","18.7049","0.0007","90","","92.183","0.001","90","","4910.7","0.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H44 Cu F6 N4 O2 P3 -","- C52 H44 Cu F6 N4 O2 P3 -","- C208 H176 Cu4 F24 N16 O8 P12 -","4","1","","Tomás, Federico M A; Calvo, Natalia L.; Vega, Nadia C.; Vieyra, Faustino E Morán; Vega, Daniel R.; Comedi, David; Katz, Néstor E; Fagalde, Florencia","Syntheses, characterization, crystal structures and applications as sensitizers in solar cells of novel heteroleptic Cu(I) complexes containing nitrile-substituted 2,2'-bipyridyl ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","808","819","10.1039/d3dt02777e","","","0.71073","MoKα","","0.0932","0.0632","","","0.1455","0.1686","","","","","","1.177","","","","has coordinates","289522","2024-02-04","12:01:30",""
"7714566","10.9709","0.0004","12.4043","0.0005","19.8431","0.0008","106.02","0.002","96.377","0.002","105.536","0.002","2450.27","0.17","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H47 Cu F6 N3 O2 P3 -","- C52 H47 Cu F6 N3 O2 P3 -","- C104 H94 Cu2 F12 N6 O4 P6 -","2","1","","Tomás, Federico M A; Calvo, Natalia L.; Vega, Nadia C.; Vieyra, Faustino E Morán; Vega, Daniel R.; Comedi, David; Katz, Néstor E; Fagalde, Florencia","Syntheses, characterization, crystal structures and applications as sensitizers in solar cells of novel heteroleptic Cu(I) complexes containing nitrile-substituted 2,2'-bipyridyl ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","808","819","10.1039/d3dt02777e","","","0.71073","MoKα","","0.1261","0.0882","","","0.2077","0.2343","","","","","","1.154","","","","has coordinates","289522","2024-02-04","12:01:31",""
"7714573","14.002","0.004","11.085","0.003","15.701","0.004","90","","94.935","0.005","90","","2428","1.1","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H25 B2 Cu F8 N5 O0 -","- C21 H25 B2 Cu F8 N5 -","- C84 H100 B8 Cu4 F32 N20 -","4","0.5","","Yu, Kaishan; Wang, Tao; Sun, Yue; Kang, Mei; Wang, Xinxin; Zhu, Dingwei; Xue, Siyi; Shen, Junyu; Zhang, Qijian; Liu, Jinxuan","Impact of the hybridization form of the coordinated nitrogen atom on the electrocatalytic water oxidation performance of copper complexes with pentadentate amine-pyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","612","618","10.1039/d3dt03185c","","","0.71073","MoKα","","0.0501","0.0438","","","0.1306","0.1422","","","","","","1.146","","","","has coordinates","289527","2024-02-04","12:03:04",""
"7714574","14.2265","0.0018","25.288","0.003","14.4222","0.0019","90","","108.422","0.003","90","","4922.6","1.1","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H29 B2 Cu F8 N5 -","- C19 H29 B2 Cu F8 N5 -","- C152 H232 B16 Cu8 F64 N40 -","8","2","","Yu, Kaishan; Wang, Tao; Sun, Yue; Kang, Mei; Wang, Xinxin; Zhu, Dingwei; Xue, Siyi; Shen, Junyu; Zhang, Qijian; Liu, Jinxuan","Impact of the hybridization form of the coordinated nitrogen atom on the electrocatalytic water oxidation performance of copper complexes with pentadentate amine-pyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","612","618","10.1039/d3dt03185c","","","0.71073","MoKα","","0.1383","0.0856","","","0.171","0.1945","","","","","","1.111","","","","has coordinates,has disorder","289527","2024-02-04","12:03:04",""
"7714575","6.7095","0.0003","10.7458","0.0005","15.4294","0.0006","90","","90","","90","","1112.44","0.08","102","2","102","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C11 H15 B F N O2 -","- C11 H15 B F N O2 -","- C44 H60 B4 F4 N4 O8 -","4","0.5","","Lenz, Tabea; Hebenbrock, Marian","Phenylsilver - an unexpected one-dimensional coordination polymer of silver(I) tetrads.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","423","427","10.1039/d3dt03007e","","","0.71073","MoKα","","0.0457","0.0453","","","0.1107","0.1109","","","","","","1.052","","","","has coordinates,has disorder","289523","2024-02-04","12:01:41",""
"7714576","11.578","0.002","12.302","0.002","12.477","0.003","113.157","0.005","108.215","0.005","100.881","0.004","1449.9","0.5","102","2","102","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H16 Ag4 F4 -","- C24 H16 Ag4 F4 -","- C48 H32 Ag8 F8 -","2","1","","Lenz, Tabea; Hebenbrock, Marian","Phenylsilver - an unexpected one-dimensional coordination polymer of silver(I) tetrads.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","423","427","10.1039/d3dt03007e","","","0.71073","MoKα","","0.0348","0.0303","","","0.0921","0.0954","","","","","","1.092","","","","has coordinates","289523","2024-02-04","12:01:41",""
"7714577","9.575","0.0003","11.8169","0.0004","11.8374","0.0004","81.688","0.001","67.14","0.001","81.851","0.001","1215.81","0.07","102","2","102","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H68 B2 F2 K2 N2 O8 -","- C46 H68 B2 F2 K2 N2 O8 -","- C46 H68 B2 F2 K2 N2 O8 -","1","0.5","","Lenz, Tabea; Hebenbrock, Marian","Phenylsilver - an unexpected one-dimensional coordination polymer of silver(I) tetrads.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","423","427","10.1039/d3dt03007e","","","0.71073","MoKα","","0.0362","0.0347","","","0.0957","0.0969","","","","","","1.044","","","","has coordinates","289523","2024-02-04","12:01:41",""
"7714578","21.9136","0.0006","10.3277","0.0003","20.6655","0.0005","90","","95.496","0.001","90","","4655.5","0.2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Ag4 -","- C24 H20 Ag4 -","- C192 H160 Ag32 -","8","1","","Lenz, Tabea; Hebenbrock, Marian","Phenylsilver - an unexpected one-dimensional coordination polymer of silver(I) tetrads.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","423","427","10.1039/d3dt03007e","","","0.71073","MoKα","","0.0186","0.0179","","","0.0477","0.0481","","","","","","1.1","","","","has coordinates,has disorder","289523","2024-02-04","12:01:41",""
"7714579","9.9863","0.0004","10.8351","0.0004","15.2489","0.0006","107.41","0.001","93.102","0.001","90.732","0.001","1571.35","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C72 H60 Ag12 -","- C72 H60 Ag12 -","- C72 H60 Ag12 -","1","0.5","","Lenz, Tabea; Hebenbrock, Marian","Phenylsilver - an unexpected one-dimensional coordination polymer of silver(I) tetrads.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","423","427","10.1039/d3dt03007e","","","0.71073","MoKα","","0.0179","0.0173","","","0.0436","0.044","","","","","","1.117","","","","has coordinates","289523","2024-02-04","12:01:41",""
"7714584","10.5293","0.0014","11.404","0.0015","12.0299","0.0014","115.932","0.005","104.289","0.005","98.93","0.006","1200.1","0.3","150.01","","150.01","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H17 B F10 N2 -","- C27 H17 B F10 N2 -","- C54 H34 B2 F20 N4 -","2","1","","Yeganeh-Salman, Amir; Yeung, Jason; Miao, Linkun; Stephan, Douglas W.","Coordination chemistry and FLP reactivity of 1,1- and 1,2-bis-boranes.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1178","1189","10.1039/d3dt03660j","","","0.71073","MoKα","","0.0684","0.0409","","","0.0857","0.1024","","","","","","1.078","","","","has coordinates","289556","2024-02-04","12:14:21",""
"7714585","12.2736","0.0009","16.0785","0.0011","27.4383","0.0017","90","","96.278","0.004","90","","5382.2","0.6","149.99","","149.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H39 B2 F20 P Si -","- C58 H39 B2 F20 P Si -","- C232 H156 B8 F80 P4 Si4 -","4","1","","Yeganeh-Salman, Amir; Yeung, Jason; Miao, Linkun; Stephan, Douglas W.","Coordination chemistry and FLP reactivity of 1,1- and 1,2-bis-boranes.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1178","1189","10.1039/d3dt03660j","","","0.71073","MoKα","","0.098","0.0485","","","0.0957","0.1183","","","","","","1.018","","","","has coordinates","289556","2024-02-04","12:14:21",""
"7714586","11.4502","0.0005","21.0742","0.0011","24.4213","0.0011","90","","90","","90","","5893","0.5","149.97","","149.97","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H12 B2 F20 Si -","- C29 H12 B2 F20 Si -","- C232 H96 B16 F160 Si8 -","8","1","","Yeganeh-Salman, Amir; Yeung, Jason; Miao, Linkun; Stephan, Douglas W.","Coordination chemistry and FLP reactivity of 1,1- and 1,2-bis-boranes.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1178","1189","10.1039/d3dt03660j","","","0.71073","MoKα","","0.0638","0.036","","","0.0715","0.0854","","","","","","1.043","","","","has coordinates","289556","2024-02-04","12:14:21",""
"7714587","15.653","0.0012","18.9122","0.0015","15.9496","0.0012","90","","112.272","0.003","90","","4369.3","0.6","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H37 B2 F20 P -","- C44 H37 B2 F20 P -","- C176 H148 B8 F80 P4 -","4","1","","Yeganeh-Salman, Amir; Yeung, Jason; Miao, Linkun; Stephan, Douglas W.","Coordination chemistry and FLP reactivity of 1,1- and 1,2-bis-boranes.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1178","1189","10.1039/d3dt03660j","","","0.71073","MoKα","","0.082","0.0426","","","0.0978","0.1268","","","","","","1.085","","","","has coordinates","289556","2024-02-04","12:14:21",""
"7714588","12.5809","0.001","13.2745","0.001","14.482","0.001","79.082","0.004","79.285","0.004","65.673","0.004","2148.1","0.3","149.99","","149.99","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H30 B2 Cl3 F20 N -","- C42 H30 B2 Cl3 F20 N -","- C84 H60 B4 Cl6 F40 N2 -","2","1","","Yeganeh-Salman, Amir; Yeung, Jason; Miao, Linkun; Stephan, Douglas W.","Coordination chemistry and FLP reactivity of 1,1- and 1,2-bis-boranes.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1178","1189","10.1039/d3dt03660j","","","0.71073","MoKα","","0.11","0.0722","","","0.1921","0.2296","","","","","","1.0098","","","","has coordinates","289556","2024-02-04","12:14:21",""
"7714589","11.9514","0.0016","12.3919","0.0014","20.556","0.003","94.09","0.005","101.071","0.006","97.474","0.005","2947.8","0.7","150.01","","150.01","","","","","","","","","6","P -1","-P 1","2","","","","- C61 H46.5 B2 Cl1.5 F20 P -","- C61 H46.5 B2 Cl1.5 F20 P -","- C122 H93 B4 Cl3 F40 P2 -","2","1","","Yeganeh-Salman, Amir; Yeung, Jason; Miao, Linkun; Stephan, Douglas W.","Coordination chemistry and FLP reactivity of 1,1- and 1,2-bis-boranes.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1178","1189","10.1039/d3dt03660j","","","0.71073","MoKα","","0.0905","0.0641","","","0.1818","0.21","","","","","","1.044","","","","has coordinates","289556","2024-02-04","12:14:21",""
"7714590","19.333","0.0016","7.8538","0.0005","21.0431","0.0016","90","","114.685","0.005","90","","2903.2","0.4","150.01","","150.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H8 B2 F20 -","- C32 H8 B2 F20 -","- C128 H32 B8 F80 -","4","1","","Yeganeh-Salman, Amir; Yeung, Jason; Miao, Linkun; Stephan, Douglas W.","Coordination chemistry and FLP reactivity of 1,1- and 1,2-bis-boranes.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1178","1189","10.1039/d3dt03660j","","","0.71073","MoKα","","0.0944","0.0559","","","0.135","0.1625","","","","","","1.038","","","","has coordinates","289556","2024-02-04","12:14:21",""
"7714591","11.6686","0.0012","18.4917","0.0012","19.1503","0.0015","90","","95.857","0.008","90","","4110.5","0.6","149.99","","149.99","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C39 H30 B2 F20 N2 Si -","- C39 H30 B2 F20 N2 Si -","- C156 H120 B8 F80 N8 Si4 -","4","1","","Yeganeh-Salman, Amir; Yeung, Jason; Miao, Linkun; Stephan, Douglas W.","Coordination chemistry and FLP reactivity of 1,1- and 1,2-bis-boranes.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1178","1189","10.1039/d3dt03660j","","","0.71073","MoKα","","0.0766","0.0522","","","0.12","0.1341","","","","","","1.0232","","","","has coordinates,has disorder","289556","2024-02-04","12:14:21",""
"7714592","13.2715","0.001","15.8466","0.0012","19.8998","0.0016","90","","90.507","0.004","90","","4184.9","0.6","149.99","","149.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H26 B2 F20 N2 -","- C42 H26 B2 F20 N2 -","- C168 H104 B8 F80 N8 -","4","1","","Yeganeh-Salman, Amir; Yeung, Jason; Miao, Linkun; Stephan, Douglas W.","Coordination chemistry and FLP reactivity of 1,1- and 1,2-bis-boranes.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1178","1189","10.1039/d3dt03660j","","","0.71073","MoKα","","0.0782","0.0503","","","0.1233","0.1452","","","","","","1.0666","","","","has coordinates","289556","2024-02-04","12:14:21",""
"7714593","17.9443","0.0016","14.7942","0.0013","23.1941","0.0017","90","","94.749","0.005","90","","6136.2","0.9","150.01","","150.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H53 B2 Cl2 F20 P Si -","- C65 H53 B2 Cl2 F20 P Si -","- C260 H212 B8 Cl8 F80 P4 Si4 -","4","1","","Yeganeh-Salman, Amir; Yeung, Jason; Miao, Linkun; Stephan, Douglas W.","Coordination chemistry and FLP reactivity of 1,1- and 1,2-bis-boranes.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1178","1189","10.1039/d3dt03660j","","","0.71073","MoKα","","0.1493","0.0853","","","0.2141","0.2696","","","","","","1.051","","","","has coordinates","289556","2024-02-04","12:14:21",""
"7714594","12.444","0.0005","12.444","0.0005","20.0425","0.0011","90","","90","","120","","2687.8","0.2","169.99","0.1","169.99","0.1","","","","","","","","5","P 3","P 3","143","","","","- C102 H108 Cl13 Fe5 N12 -","- C102 H108 Cl13 Fe5 N12 -","- C102 H108 Cl13 Fe5 N12 -","1","0.333333","","Yousuf, Nighat; Ma, Yanping; Mahmood, Qaiser; Zhang, Wenjuan; Wang, Yizhou; Saeed, Hassan; Sun, Wen-Hua","Enhancing isoprene polymerization with high activity and adjustable monomer enchainment using cyclooctyl-fused iminopyridine iron precatalysts.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","753","764","10.1039/d3dt03674j","","x-ray","1.54184","CuKα","","0.0679","0.0502","","","0.135","0.145","","","","","","1.102","","","","has coordinates,has disorder","289517","2024-02-04","12:00:38",""
"7714595","9.9529","0.0003","13.3706","0.0004","15.0002","0.0003","86.305","0.002","79.243","0.002","89.108","0.002","1957","0.09","169.98","0.1","169.98","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C38 H44 Cl5 Fe2 N4 -","- C38 H44 Cl5 Fe2 N4 -","- C76 H88 Cl10 Fe4 N8 -","2","1","","Yousuf, Nighat; Ma, Yanping; Mahmood, Qaiser; Zhang, Wenjuan; Wang, Yizhou; Saeed, Hassan; Sun, Wen-Hua","Enhancing isoprene polymerization with high activity and adjustable monomer enchainment using cyclooctyl-fused iminopyridine iron precatalysts.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","753","764","10.1039/d3dt03674j","","x-ray","1.54184","CuKα","","0.041","0.0374","","","0.0978","0.0998","","","","","","1.034","","","","has coordinates","289517","2024-02-04","12:00:38",""
"7714596","18.1364","0.0002","17.4597","0.0002","14.3755","0.0002","90","","99.286","0.001","90","","4492.44","0.1","169.98","0.1","169.98","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H56 Cl5 Fe2 N4 -","- C44 H56 Cl5 Fe2 N4 -","- C176 H224 Cl20 Fe8 N16 -","4","1","","Yousuf, Nighat; Ma, Yanping; Mahmood, Qaiser; Zhang, Wenjuan; Wang, Yizhou; Saeed, Hassan; Sun, Wen-Hua","Enhancing isoprene polymerization with high activity and adjustable monomer enchainment using cyclooctyl-fused iminopyridine iron precatalysts.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","753","764","10.1039/d3dt03674j","","x-ray","1.54184","CuKα","","0.0458","0.0396","","","0.1006","0.1043","","","","","","1.03","","","","has coordinates,has disorder","289517","2024-02-04","12:00:38",""
"7714597","7.4129","0.0003","22.8345","0.0009","26.8477","0.001","90","","90","","90","","4544.5","0.3","100","2","100","2","","","","","","","","8","P n n m","-P 2 2n","58","","","","- C68 H66 Cu4 I4 K N13 O24 Sr4 -","- C68 H62 Cu4 I4 K N13 O22 Sr4 -","- C136 H124 Cu8 I8 K2 N26 O44 Sr8 -","2","0.25","","Jiang, Jiang; Li, Zi-Wei; Zhang, Zhi-Zhuan; Tan, Bin; Wu, Zhao-Feng; Huang, Xiao-Ying","The {Cu<sub>2</sub>I<sub>2</sub>} cluster bearing metal organic frameworks: crystal structures and fluorescence detecting performances towards cysteine and explosive molecules.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","706","714","10.1039/d3dt03363e","","","1.54178","CuKα","","0.056","0.0437","","","0.1139","0.124","","","","","","1.046","","","","has coordinates,has disorder","289520","2024-02-04","12:01:16",""
"7714598","16.205","0.0006","8.7121","0.0003","26.7542","0.001","90","","93.776","0.001","90","","3768.9","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22.95 H22.99 Cu2 Eu I2 N4.78 O7.41 -","- C22.956 H19.406 Cu2 Eu I2 N4.775 O7.406 -","- C91.824 H77.624 Cu8 Eu4 I8 N19.1 O29.624 -","4","1","","Jiang, Jiang; Li, Zi-Wei; Zhang, Zhi-Zhuan; Tan, Bin; Wu, Zhao-Feng; Huang, Xiao-Ying","The {Cu<sub>2</sub>I<sub>2</sub>} cluster bearing metal organic frameworks: crystal structures and fluorescence detecting performances towards cysteine and explosive molecules.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","706","714","10.1039/d3dt03363e","","","0.7288","synchrotron","","0.0291","0.0262","","","0.0618","0.0638","","","","","","1.088","","","","has coordinates,has disorder","289520","2024-02-04","12:01:16",""
"7714599","10.5698","0.0005","10.977","0.0004","11.341","0.0005","69.081","0.004","85.409","0.004","69.784","0.004","1151.98","0.1","99.98","0.1","99.98","0.1","","","","","","","","5","P -1","-P 1","2","","","","- H Na6 O24 Sb W6 -","- Na6 O52 Sb W6 -","- Na6 O52 Sb W6 -","1","0.5","","Raabe, Jan-Christian; Jameel, Froze; Stein, Matthias; Albert, Jakob; Poller, Maximilian J.","Heteroelements in polyoxometalates: a study on the influence of different group 15 elements on polyoxometalate formation.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","454","466","10.1039/d3dt03883a","","x-ray","0.71073","MoKα","","0.0259","0.0254","","","0.0686","0.0689","","","","","","1.136","","","","has coordinates","289518","2024-02-04","12:00:58",""
"7714600","10.8321","0.0002","12.6641","0.0003","15.4456","0.0003","99.1067","0.0016","91.2955","0.0016","104.338","0.0018","2022.7","0.08","99.92","0.18","99.92","0.18","","","","","","","","5","P -1","-P 1","2","","","","- H6 Na6 O58 P4 W14 -","- Na6 O78.5 P4 W14 -","- Na6 O78.5 P4 W14 -","1","0.5","","Raabe, Jan-Christian; Jameel, Froze; Stein, Matthias; Albert, Jakob; Poller, Maximilian J.","Heteroelements in polyoxometalates: a study on the influence of different group 15 elements on polyoxometalate formation.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","454","466","10.1039/d3dt03883a","","x-ray","0.71073","MoKα","","0.0296","0.0283","","","0.0709","0.0719","","","","","","1.076","","","","has coordinates,has disorder","289518","2024-02-04","12:00:58",""
"7714601","11.7511","0.0004","12.1744","0.0004","12.4107","0.0004","82.286","0.003","66.379","0.003","64.875","0.003","1471.45","0.1","99.97","0.15","99.97","0.15","","","","","","","","3","P -1","-P 1","2","","Paradodecatungstate B","","- Na8 O40 W12 -","- Na8 O70 W12 -","- Na8 O70 W12 -","1","0.5","","Raabe, Jan-Christian; Jameel, Froze; Stein, Matthias; Albert, Jakob; Poller, Maximilian J.","Heteroelements in polyoxometalates: a study on the influence of different group 15 elements on polyoxometalate formation.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","454","466","10.1039/d3dt03883a","","x-ray","0.71073","MoKα","","0.0495","0.0474","","","0.0935","0.0947","","","","","","1.078","","","","has coordinates","289518","2024-02-04","12:00:58",""
"7714602","30.0854","0.00009","30.0854","0.00009","30.0854","0.00009","90","","90","","90","","27231.2","0.14","99.95","0.13","99.95","0.13","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- As H5.9 Na3.1 O34 W9 -","- As K1.35 Na3.15 O47.5 W9 -","- As16 K21.6 Na50.4 O760 W144 -","16","0.166667","","Raabe, Jan-Christian; Jameel, Froze; Stein, Matthias; Albert, Jakob; Poller, Maximilian J.","Heteroelements in polyoxometalates: a study on the influence of different group 15 elements on polyoxometalate formation.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","454","466","10.1039/d3dt03883a","","x-ray","0.71073","MoKα","","0.0585","0.0422","","","0.0918","0.107","","","","","","1.12","","","","has coordinates,has disorder","289518","2024-02-04","12:00:58",""
"7714603","8.6754","0.0003","8.318","0.0002","18.2658","0.0006","90","","95.722","0.001","90","","1311.53","0.07","273.15","","273.15","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- Mg3 Na6 P4 S16 -","- Mg3 Na6 P4 S16 -","- Mg6 Na12 P8 S32 -","2","0.5","","Huang, Yi; Chu, Dongdong; Hou, Xueling; Li, Guangmao; Zhang, Yong","Na<sub>6</sub>Mg<sub>3</sub>P<sub>4</sub>S<sub>16</sub> and RbMg<sub>2</sub>PS<sub>4</sub>Cl<sub>2</sub>: two Mg-based thiophosphates with ultrawide bandgaps resulting from [MgS<sub>6</sub>] and [MgS<sub><i>x</i></sub>Cl<sub>6-<i>x</i></sub>] octahedra.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","866","871","10.1039/d3dt03637e","","","0.71073","MoKα","","0.0364","0.0307","","","0.0731","0.0775","","","","","","1.082","","","","has coordinates","289554","2024-02-04","12:12:05",""
"7714604","17.2779","0.0007","7.2426","0.0004","8.8927","0.0004","90","","118.839","0.002","90","","974.79","0.08","273.15","","273.15","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Cl2 Mg2 P Rb S4 -","- Cl2 Mg2 P Rb S4 -","- Cl8 Mg8 P4 Rb4 S16 -","4","0.5","","Huang, Yi; Chu, Dongdong; Hou, Xueling; Li, Guangmao; Zhang, Yong","Na<sub>6</sub>Mg<sub>3</sub>P<sub>4</sub>S<sub>16</sub> and RbMg<sub>2</sub>PS<sub>4</sub>Cl<sub>2</sub>: two Mg-based thiophosphates with ultrawide bandgaps resulting from [MgS<sub>6</sub>] and [MgS<sub><i>x</i></sub>Cl<sub>6-<i>x</i></sub>] octahedra.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","866","871","10.1039/d3dt03637e","","","0.71073","MoKα","","0.0298","0.026","","","0.0563","0.0583","","","","","","1.084","","","","has coordinates","289554","2024-02-04","12:12:05",""
"7714605","19.874","0.003","18.63","0.002","15.83","0.002","90","","115.041","0.004","90","","5310.2","1.2","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H22 Cl2 Cu N4 -","- C29 H22 Cl2 Cu N4 -","- C232 H176 Cl16 Cu8 N32 -","8","1","","Mishra, Aman; Srivastava, Diship; Raj, Dev; Patra, Niladri; Padhi, Sumanta Kumar","Formate dehydrogenase activity by a Cu(II)-based molecular catalyst and deciphering the mechanism using DFT studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1209","1220","10.1039/d3dt03023g","","x-ray","0.71073","MoKα","","0.0407","0.0363","","","0.0955","0.1011","","","","","","1.0661","","","","has coordinates","289537","2024-02-04","12:04:47",""
"7714606","12.746","0.004","14.053","0.004","19.212","0.006","73.689","0.004","77.538","0.004","66.914","0.003","3016.4","1.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H58 Cu4 Mo22 N24 O83 P2 V4 -","- C64 H56 Cu4 Mo22.076 N24 O83 P2 V3.924 -","- C64 H56 Cu4 Mo22.076 N24 O83 P2 V3.924 -","1","0.5","","Chen, Qun; Jiao, Cheng-Yang; Xu, Hu; Li, Si-Man; Yang, Jian-Bo; Mei, Hua; Xu, Yan","Copper-containing POM-based hybrid P2Mo22V4Cu4 nanocluster as heterogeneous catalyst for the light-driven hydroxylation of benzene to phenol.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1190","1195","10.1039/d3dt02812g","","","0.71073","MoKα","","0.0774","0.0487","","","0.1242","0.1369","","","","","","1.043","","","","has coordinates,has disorder","289540","2024-02-04","12:05:19",""
"7714607","36.693","0.005","15.536","0.002","20.813","0.003","90","","92.735","0.004","90","","11851","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C134 H160 Cl2 F4 Ga2 Ge2 N4 -","- C134 H160 Cl2 F4 Ga2 Ge2 N4 -","- C536 H640 Cl8 F16 Ga8 Ge8 N16 -","4","0.5","","Bücker, Anna; Wölper, Christoph; Siera, Hannah; Haberhauer, Gebhard; Schulz, Stephan","Multiple ethylene activation by heteroleptic L(Cl)Ga-substituted germylenes.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","640","646","10.1039/d3dt03944g","","","0.71073","MoKα","","0.0661","0.0445","","","0.1012","0.1147","","","","","","1.09","","","","has coordinates,has disorder","289532","2024-02-04","12:03:55",""
"7714608","27.3921","0.0014","14.6446","0.0007","29.8421","0.0015","90","","113.082","0.002","90","","11012.7","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C104 H170 Cl2 Ga2 Ge2 N6 Si2 -","- C99 H158 Cl2 Ga2 Ge2 N6 Si2 -","- C396 H632 Cl8 Ga8 Ge8 N24 Si8 -","4","1","","Bücker, Anna; Wölper, Christoph; Siera, Hannah; Haberhauer, Gebhard; Schulz, Stephan","Multiple ethylene activation by heteroleptic L(Cl)Ga-substituted germylenes.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","640","646","10.1039/d3dt03944g","","","1.54178","CuKα","","0.0473","0.0426","","","0.1033","0.1056","","","","","","1.106","","","","has coordinates","289532","2024-02-04","12:03:56",""
"7714609","14.0575","0.0008","20.597","0.0012","23.6061","0.0014","115.356","0.002","97.878","0.002","94.81","0.002","6040.1","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C136 H168 Cl2 Ga2 Ge2 N4 -","- C112 H144 Cl2 Ga2 Ge2 N4 -","- C224 H288 Cl4 Ga4 Ge4 N8 -","2","1","","Bücker, Anna; Wölper, Christoph; Siera, Hannah; Haberhauer, Gebhard; Schulz, Stephan","Multiple ethylene activation by heteroleptic L(Cl)Ga-substituted germylenes.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","640","646","10.1039/d3dt03944g","","","1.54178","CuKα","","0.048","0.0427","","","0.1114","0.117","","","","","","1.011","","","","has coordinates","289532","2024-02-04","12:03:56",""
"7714610","10.942","0.0008","12.4124","0.001","14.7289","0.0011","71.21","0.003","88.227","0.003","85.193","0.003","1887.1","0.3","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H42 Bi2 Br9 N9 -","- C15 H42 Bi2 Br9 N9 -","- C30 H84 Bi4 Br18 N18 -","2","1","","Hu, Cheng-An; Qin, Jian-Peng; Pan, Chun-Yang","Seeking environmentally friendly halide perovskite photocatalysts: synthesis, structure and photocatalytic performance exploration.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","512","519","10.1039/d3dt02990e","","","0.71073","MoKα","","0.0445","0.0319","","","0.0691","0.0739","","","","","","0.99","","","","has coordinates","289526","2024-02-04","12:02:46",""
"7714611","14.7839","0.0012","16.969","0.001","8.5719","0.0006","90","","113.558","0.002","90","","1971.2","0.2","150","2","150","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C10 H18 Bi Br5 N4 -","- C10 H18 Bi Br5 N4 -","- C40 H72 Bi4 Br20 N16 -","4","0.5","","Hu, Cheng-An; Qin, Jian-Peng; Pan, Chun-Yang","Seeking environmentally friendly halide perovskite photocatalysts: synthesis, structure and photocatalytic performance exploration.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","512","519","10.1039/d3dt02990e","","","0.71073","MoKα","","0.0299","0.0277","","","0.0724","0.0735","","","","","","1.048","","","","has coordinates","289526","2024-02-04","12:02:55",""
"7714612","17.2323","0.0013","15.072","0.0013","11.45","0.001","90","","100.209","0.003","90","","2926.8","0.4","150","","150","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H30 Bi2 Br9 N3 -","- C9 H30 Bi2 Br9 N3 -","- C36 H120 Bi8 Br36 N12 -","4","1","","Hu, Cheng-An; Qin, Jian-Peng; Pan, Chun-Yang","Seeking environmentally friendly halide perovskite photocatalysts: synthesis, structure and photocatalytic performance exploration.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","512","519","10.1039/d3dt02990e","","","0.71076","MoKα","","0.0756","0.0539","","","0.128","0.1398","","","","","","1.056","","","","has coordinates,has disorder","289526","2024-02-04","12:02:56",""
"7714613","12.407","0.003","13.254","0.004","13.666","0.004","76.214","0.003","83.441","0.003","65.96","0.003","1992.8","1","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H45 Fe2 Mo11 N12 O45 P V3 -","- C50 H43 Fe2 Mo10.944 N12 O45 P V3.056 -","- C50 H43 Fe2 Mo10.944 N12 O45 P V3.056 -","1","0.5","","Li, Si-Man; Wang, Ji-Lei; Zhou, Jiu-Lin; Xiang, Xin-Ying; Yu, Ya-Ting; Chen, Qun; Mei, Hua; Xu, Yan","An iron-containing POM-based hybrid compound as a heterogeneous catalyst for one-step hydroxylation of benzene to phenol.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1058","1065","10.1039/d3dt03560c","","","0.71073","MoKα","","0.0706","0.0514","","","0.1443","0.1598","","","","","","1.112","","","","has coordinates,has disorder","289546","2024-02-04","12:07:09",""
"7714614","7.1056","0.0008","16.1016","0.0018","14.6696","0.0016","90","","98.136","0.001","90","","1661.5","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Ag2 Cd N8 -","- C12 H8 Ag2 Cd N8 -","- C48 H32 Ag8 Cd4 N32 -","4","0.5","","Itoh, Chisa; Yoshino, Haruka; Kitayama, Taku; Kosaka, Wataru; Miyasaka, Hitoshi","Post-synthetic molecular modifications based on Schiff base condensation reactions for designing functional paddlewheel diruthenium(II,II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","444","448","10.1039/d3dt03535b","","","0.71073","MoKα","","0.0157","0.0145","","","0.034","0.0345","","","","","","1.031","","","","has coordinates","289519","2024-02-04","12:01:08",""
"7714615","7.1111","0.0007","16.13","0.0015","14.6487","0.0013","90","","98.085","0.001","90","","1663.5","0.3","140","","140","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Ag2 Cd N8 -","- C12 H8 Ag2 Cd N8 -","- C48 H32 Ag8 Cd4 N32 -","4","0.5","","Itoh, Chisa; Yoshino, Haruka; Kitayama, Taku; Kosaka, Wataru; Miyasaka, Hitoshi","Post-synthetic molecular modifications based on Schiff base condensation reactions for designing functional paddlewheel diruthenium(II,II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","444","448","10.1039/d3dt03535b","","","0.71073","MoKα","","0.0151","0.0142","","","0.0329","0.0333","","","","","","1.058","","","","has coordinates","289519","2024-02-04","12:01:08",""
"7714616","7.1145","0.0007","16.1659","0.0016","14.6332","0.0015","90","","98.068","0.001","90","","1666.3","0.3","180","","180","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Ag2 Cd N8 -","- C12 H8 Ag2 Cd N8 -","- C48 H32 Ag8 Cd4 N32 -","4","0.5","","Itoh, Chisa; Yoshino, Haruka; Kitayama, Taku; Kosaka, Wataru; Miyasaka, Hitoshi","Post-synthetic molecular modifications based on Schiff base condensation reactions for designing functional paddlewheel diruthenium(II,II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","444","448","10.1039/d3dt03535b","","","0.71073","MoKα","","0.0271","0.0254","","","0.059","0.06","","","","","","1.037","","","","has coordinates","289519","2024-02-04","12:01:08",""
"7714617","7.118","0.0007","16.1995","0.0017","14.6181","0.0015","90","","98.03","0.001","90","","1669.1","0.3","220","","220","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Ag2 Cd N8 -","- C12 H8 Ag2 Cd N8 -","- C48 H32 Ag8 Cd4 N32 -","4","0.5","","Itoh, Chisa; Yoshino, Haruka; Kitayama, Taku; Kosaka, Wataru; Miyasaka, Hitoshi","Post-synthetic molecular modifications based on Schiff base condensation reactions for designing functional paddlewheel diruthenium(II,II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","444","448","10.1039/d3dt03535b","","","0.71073","MoKα","","0.0223","0.0206","","","0.0492","0.05","","","","","","1.12","","","","has coordinates","289519","2024-02-04","12:01:08",""
"7714618","7.1211","0.0006","16.2349","0.0013","14.6055","0.0012","90","","97.987","0.001","90","","1672.2","0.2","260","","260","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Ag2 Cd N8 -","- C12 H8 Ag2 Cd N8 -","- C48 H32 Ag8 Cd4 N32 -","4","0.5","","Itoh, Chisa; Yoshino, Haruka; Kitayama, Taku; Kosaka, Wataru; Miyasaka, Hitoshi","Post-synthetic molecular modifications based on Schiff base condensation reactions for designing functional paddlewheel diruthenium(II,II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","444","448","10.1039/d3dt03535b","","","0.71073","MoKα","","0.0214","0.0199","","","0.0475","0.0485","","","","","","1.143","","","","has coordinates","289519","2024-02-04","12:01:08",""
"7714619","7.1237","0.0009","16.274","0.002","14.6035","0.0018","90","","97.989","0.001","90","","1676.6","0.4","300","","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Ag2 Cd N8 -","- C12 H8 Ag2 Cd N8 -","- C48 H32 Ag8 Cd4 N32 -","4","0.5","","Itoh, Chisa; Yoshino, Haruka; Kitayama, Taku; Kosaka, Wataru; Miyasaka, Hitoshi","Post-synthetic molecular modifications based on Schiff base condensation reactions for designing functional paddlewheel diruthenium(II,II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","444","448","10.1039/d3dt03535b","","","0.71073","MoKα","","0.0213","0.0198","","","0.0472","0.0481","","","","","","1.141","","","","has coordinates","289519","2024-02-04","12:01:08",""
"7714623","10.9278","0.0009","7.7836","0.0006","7.2784","0.0006","90","","99.345","0.008","90","","610.87","0.09","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- H2 I Mo Na O7 -","- H2 I Mo Na O7 -","- H8 I4 Mo4 Na4 O28 -","4","2","","Shui, Yi; Liang, Zhengli; Li, Zhenhua; Wan, Jiahao; Liu, Lehui; Jiang, Xingxing; Lin, Zheshuai; Liu, Hongming","NaMoO<sub>3</sub>(IO<sub>3</sub>)(H<sub>2</sub>O): water molecule introduction induces strong second harmonic generation response, widened band gap and large anisotropy.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1221","1229","10.1039/d3dt03304j","","","0.71073","MoKα","","0.0639","0.0573","","","0.1338","0.1407","","","","","","1.067","","","","has coordinates","289541","2024-02-04","12:05:31",""
"7714624","11.907","0.005","11.428","0.003","25.172","0.007","90","","103.401","0.016","90","","3332","1.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H33 B2 N -","- C46 H33 B2 N -","- C184 H132 B8 N4 -","4","1","","Lamprecht, Anna; Arrowsmith, Merle; Dietz, Maximilian; Fuchs, Sonja; Rempel, Anna; Härterich, Marcel; Braunschweig, Holger","Synthesis, reduction and C-H activation chemistry of azaborinines with redox-active organoboryl substituents.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1004","1013","10.1039/d3dt03826b","","","0.71073","MoKα","","0.1466","0.0651","","","0.1525","0.1898","","","","","","0.965","","","","has coordinates","289536","2024-02-04","12:04:40",""
"7714625","12.7613","0.0001","12.1923","0.0002","18.965","0.0002","90","","91.848","0.001","90","","2949.22","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C80 H58 B4 N2 -","- C80 H58 B4 N2 -","- C160 H116 B8 N4 -","2","0.5","","Lamprecht, Anna; Arrowsmith, Merle; Dietz, Maximilian; Fuchs, Sonja; Rempel, Anna; Härterich, Marcel; Braunschweig, Holger","Synthesis, reduction and C-H activation chemistry of azaborinines with redox-active organoboryl substituents.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1004","1013","10.1039/d3dt03826b","","x-ray","1.54184","CuKα","K-L~2,3~","0.0513","0.0421","","","0.097","0.1016","","","","","","1.042","","","","has coordinates,has disorder","289536","2024-02-04","12:04:40",""
"7714626","12.4227","0.0002","12.5117","0.0002","15.82","0.0002","99.055","0.001","95.7","0.001","117.208","0.002","2118.1","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H42 B3 Br N -","- C55 H42 B3 Br N -","- C110 H84 B6 Br2 N2 -","2","1","","Lamprecht, Anna; Arrowsmith, Merle; Dietz, Maximilian; Fuchs, Sonja; Rempel, Anna; Härterich, Marcel; Braunschweig, Holger","Synthesis, reduction and C-H activation chemistry of azaborinines with redox-active organoboryl substituents.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1004","1013","10.1039/d3dt03826b","","x-ray","1.54184","CuKα","K-L~2,3~","0.0469","0.0449","","","0.1281","0.1297","","","","","","1.038","","","","has coordinates,has disorder","289536","2024-02-04","12:04:40",""
"7714627","12.8131","0.0015","27.705","0.003","11.8914","0.0011","90","","103.878","0.011","90","","4098.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H39 B2 K N O -","- C44 H39 B2 K N O -","- C176 H156 B8 K4 N4 O4 -","4","1","","Lamprecht, Anna; Arrowsmith, Merle; Dietz, Maximilian; Fuchs, Sonja; Rempel, Anna; Härterich, Marcel; Braunschweig, Holger","Synthesis, reduction and C-H activation chemistry of azaborinines with redox-active organoboryl substituents.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1004","1013","10.1039/d3dt03826b","","x-ray","1.54184","CuKα","K-L~2,3~","0.3678","0.2416","","","0.5494","0.61","","","","","","1.741","","","","has coordinates","289536","2024-02-04","12:04:40",""
"7714628","18.8567","0.0002","18.5384","0.0002","16.4824","0.0002","90","","105.837","0.001","90","","5543.1","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H56 B2 K N -","- C70 H56 B2 K N -","- C280 H224 B8 K4 N4 -","4","1","","Lamprecht, Anna; Arrowsmith, Merle; Dietz, Maximilian; Fuchs, Sonja; Rempel, Anna; Härterich, Marcel; Braunschweig, Holger","Synthesis, reduction and C-H activation chemistry of azaborinines with redox-active organoboryl substituents.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1004","1013","10.1039/d3dt03826b","","x-ray","1.54184","CuKα","K-L~2,3~","0.0677","0.0534","","","0.1502","0.1595","","","","","","1.084","","","","has coordinates,has disorder","289536","2024-02-04","12:04:40",""
"7714629","10.0169","0.0002","14.8735","0.0003","16.236","0.0003","86.734","0.002","84.599","0.002","82.053","0.002","2382.7","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C122 H100 B4 K2 N2 -","- C122 H100 B4 K2 N2 -","- C122 H100 B4 K2 N2 -","1","0.5","","Lamprecht, Anna; Arrowsmith, Merle; Dietz, Maximilian; Fuchs, Sonja; Rempel, Anna; Härterich, Marcel; Braunschweig, Holger","Synthesis, reduction and C-H activation chemistry of azaborinines with redox-active organoboryl substituents.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1004","1013","10.1039/d3dt03826b","","x-ray","1.54184","CuKα","K-L~2,3~","0.0621","0.0499","","","0.1338","0.1418","","","","","","1.064","","","","has coordinates,has disorder","289536","2024-02-04","12:04:40",""
"7714630","13.6357","0.0002","15.1081","0.0002","25.2435","0.0003","90","","103.845","0.001","90","","5049.31","0.12","100","2","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H51 B2 N -","- C68 H51 B2 N -","- C272 H204 B8 N4 -","4","1","","Lamprecht, Anna; Arrowsmith, Merle; Dietz, Maximilian; Fuchs, Sonja; Rempel, Anna; Härterich, Marcel; Braunschweig, Holger","Synthesis, reduction and C-H activation chemistry of azaborinines with redox-active organoboryl substituents.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1004","1013","10.1039/d3dt03826b","","","1.54184","CuKα","","0.0523","0.0426","","","0.0958","0.1005","","","","","","1.018","","","","has coordinates","289536","2024-02-04","12:04:40",""
"7714631","14.931","0.007","49.55","0.03","11.093","0.008","90","","90","","90","","8207","9","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C96 H74 B6 Cl8 N2 O -","- C96 H74 B6 Cl8 N2 O -","- C384 H296 B24 Cl32 N8 O4 -","4","0.5","","Lamprecht, Anna; Arrowsmith, Merle; Dietz, Maximilian; Fuchs, Sonja; Rempel, Anna; Härterich, Marcel; Braunschweig, Holger","Synthesis, reduction and C-H activation chemistry of azaborinines with redox-active organoboryl substituents.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1004","1013","10.1039/d3dt03826b","","","0.71073","MoKα","","0.081","0.0612","","","0.1292","0.1379","","","","","","1.103","","","","has coordinates,has disorder","289536","2024-02-04","12:04:40",""
"7714632","12.0586","0.0004","18.9733","0.0007","13.2679","0.0005","90","","104.365","0.001","90","","2940.67","0.18","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H29 Cl F6 N3 P Ru -","- C32 H29 Cl F6 N3 P Ru -","- C128 H116 Cl4 F24 N12 P4 Ru4 -","4","1","","Sumithaa, Chezhiyan; Gajda-Morszewski, Przemyslaw; Ishaniya, Wickneswaran; Khamrang, Themmila; Velusamy, Marappan; Bhuvanesh, Nattamai; Brindell, Malgorzata; Mazuryk, Olga; Ganeshpandian, Mani","Design of an anticancer organoruthenium complex as the guest and polydiacetylene-coated fluorogenic nanocarrier as the host: engineering nanocarrier using ene-yne conjugation for sustained guest release, enhanced anticancer activity and reduced <i>in vivo</i> toxicity.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","966","985","10.1039/d3dt03358a","","","1.54178","CuKα","","0.0303","0.0299","","","0.0723","0.0725","","","","","","1.173","","","","has coordinates,has disorder","289548","2024-02-04","12:07:28",""
"7714633","9.4427","0.0007","16.5209","0.0013","20.958","0.0016","90","","90","","90","","3269.5","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H30 B Cl F4 N3 Ru -","- C36 H30 B Cl F4 N3 Ru -","- C144 H120 B4 Cl4 F16 N12 Ru4 -","4","1","","Sumithaa, Chezhiyan; Gajda-Morszewski, Przemyslaw; Ishaniya, Wickneswaran; Khamrang, Themmila; Velusamy, Marappan; Bhuvanesh, Nattamai; Brindell, Malgorzata; Mazuryk, Olga; Ganeshpandian, Mani","Design of an anticancer organoruthenium complex as the guest and polydiacetylene-coated fluorogenic nanocarrier as the host: engineering nanocarrier using ene-yne conjugation for sustained guest release, enhanced anticancer activity and reduced <i>in vivo</i> toxicity.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","966","985","10.1039/d3dt03358a","","","0.71073","MoKα","","0.0861","0.0691","","","0.1565","0.1706","","","","","","1.036","","","","has coordinates","289548","2024-02-04","12:07:28",""
"7714634","12.7869","0.0004","20.9827","0.0006","26.1382","0.0009","90","","92.909","0.001","90","","7003.9","0.4","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H31 Cl F6 N3 P Ru -","- C38 H31 Cl F6 N3 P Ru -","- C304 H248 Cl8 F48 N24 P8 Ru8 -","8","2","","Sumithaa, Chezhiyan; Gajda-Morszewski, Przemyslaw; Ishaniya, Wickneswaran; Khamrang, Themmila; Velusamy, Marappan; Bhuvanesh, Nattamai; Brindell, Malgorzata; Mazuryk, Olga; Ganeshpandian, Mani","Design of an anticancer organoruthenium complex as the guest and polydiacetylene-coated fluorogenic nanocarrier as the host: engineering nanocarrier using ene-yne conjugation for sustained guest release, enhanced anticancer activity and reduced <i>in vivo</i> toxicity.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","966","985","10.1039/d3dt03358a","","","0.71073","MoKα","","0.0545","0.0429","","","0.0911","0.0999","","","","","","1.041","","","","has coordinates,has disorder","289548","2024-02-04","12:07:28",""
"7714635","10.2515","0.0003","5.9699","0.0002","26.9128","0.0009","90","","95.033","0.001","90","","1640.72","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 Cu N2 O4 S4 -","- C32 H44 Cu N2 O4 S4 -","- C64 H88 Cu2 N4 O8 S8 -","2","0.5","","Singh, Anupam; Shiv, Kunal; Singh, Ranjeet; Bharty, M. K.; Manna, Partha Pratim; Prasad, Lal Bahadur","Antiproliferative activity of Fe(II), Co(II), Ni(II), Cu(II), and Zn(II) complexes of dithiocarbamate: synthesis, structural characterization, and thermal studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1196","1208","10.1039/d3dt03724j","","","0.71073","MoKα","","0.0363","0.0296","","","0.0778","0.0834","","","","","","1.045","","","","has coordinates","289557","2024-02-04","12:14:42",""
"7714636","12.2647","0.0001","10.3467","0.0002","27.7181","0.0003","90","","94.45","0.001","90","","3506.8","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H88 N4 O8 S8 Zn2 -","- C64 H88 N4 O8 S8 Zn2 -","- C128 H176 N8 O16 S16 Zn4 -","2","0.5","","Singh, Anupam; Shiv, Kunal; Singh, Ranjeet; Bharty, M. K.; Manna, Partha Pratim; Prasad, Lal Bahadur","Antiproliferative activity of Fe(II), Co(II), Ni(II), Cu(II), and Zn(II) complexes of dithiocarbamate: synthesis, structural characterization, and thermal studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1196","1208","10.1039/d3dt03724j","","","1.54184","CuKα","","0.0499","0.0408","","","0.1162","0.122","","","","","","1.075","","","","has coordinates","289557","2024-02-04","12:14:42",""
"7714637","13.7182","0.0002","14.6187","0.0002","18.7051","0.0002","76.354","0.001","71.883","0.001","64.478","0.002","3194.49","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H113.2 Co12.4 O128 Sb14 -","- C48 H100 Co12.4 O128 Sb14 -","- C48 H100 Co12.4 O128 Sb14 -","1","0.5","","Wen, Wei-Yang; Ma, Wen; Hu, Bing; Xiao, Hui-Ping; Pan, Tian-Yu; Liu, Jia-Ting; Lin, Hao-Wei; Li, Xin-Xiong; Huang, Xiao-Ying","Mixed-valence compounds based on heterometallic-oxo-clusters containing Sb(III,V): crystal structures and proton conduction.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1156","1162","10.1039/d3dt03904h","","","0.71073","MoKα","","0.0606","0.0483","","","0.1204","0.1265","","","","","","1.053","","","","has coordinates,has disorder","289560","2024-02-04","12:15:12",""
"7714638","13.779","0.0004","14.6515","0.0005","18.8682","0.0004","76.323","0.002","71.979","0.002","64.558","0.003","3247.15","0.18","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H109.2 Cd0.87 Co11.53 O126 Sb14 -","- C48 H96 Cd0.866 Co11.534 O126 Sb14 -","- C48 H96 Cd0.866 Co11.534 O126 Sb14 -","1","0.5","","Wen, Wei-Yang; Ma, Wen; Hu, Bing; Xiao, Hui-Ping; Pan, Tian-Yu; Liu, Jia-Ting; Lin, Hao-Wei; Li, Xin-Xiong; Huang, Xiao-Ying","Mixed-valence compounds based on heterometallic-oxo-clusters containing Sb(III,V): crystal structures and proton conduction.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1156","1162","10.1039/d3dt03904h","","","1.54178","CuKα","","0.0571","0.0497","","","0.1292","0.1343","","","","","","1.01","","","","has coordinates,has disorder","289560","2024-02-04","12:15:12",""
"7714639","14.5354","0.0004","20.8155","0.0006","17.9751","0.0005","90","","93.641","0.001","90","","5427.6","0.3","100","","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","abhijeet","","- C58 H56 F7 N2 O3 P5 Ru S -","- C58 H56 F7 N2 O3 P5 Ru S -","- C232 H224 F28 N8 O12 P20 Ru4 S4 -","4","1","","Saha, Abhijit; Mondal, Indranil; Kumari, Anuj; Sonkar, Avinash Kumar; Mishra, Ramranjan; Kulshreshtha, Ritu; Patra, Ashis K.","Hyphenation of lipophilic ruthenium(II)-diphosphine core with 5-fluorouracil: an effective metallodrug against glioblastoma brain cancer cells.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1551","1567","10.1039/d3dt02941g","","x-ray","0.71073","MoKα","","0.074","0.0581","","","0.1537","0.1691","","","","","","1.038","","","","has coordinates","289494","2024-02-04","11:54:20",""
"7714640","10.822","0.0019","18.68","0.003","18.011","0.003","90","","102.4","0.008","90","","3556.1","1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H81 Cl2 Mg4 N8 O10 -","- C76 H82 Cl2 Mg4 N8 O10 -","- C152 H164 Cl4 Mg8 N16 O20 -","2","0.5","","Chen, Ming-Tsz; Wu, Pei-Zheng; Liao, Chi-Chung; Hung, Kai-Wei; Shen, Pin-Chi","Grignard reagents as deprotonation agents for oxazoline-amido-phenolate ligands: structural and catalytic implications with the role of halogen ions.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","738","745","10.1039/d3dt03733a","","","0.71073","MoKα","","0.0828","0.0564","","","0.1475","0.1681","","","","","","1.038","","","","has coordinates","289515","2024-02-04","12:00:16",""
"7714641","9.589","0.002","13.949","0.003","20.58","0.005","109.499","0.007","98.51","0.007","94.697","0.007","2540.7","1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H68 I2 Mg2 N4 O8 -","- C50 H66 I2 Mg2 N4 O8 -","- C100 H132 I4 Mg4 N8 O16 -","2","1","","Chen, Ming-Tsz; Wu, Pei-Zheng; Liao, Chi-Chung; Hung, Kai-Wei; Shen, Pin-Chi","Grignard reagents as deprotonation agents for oxazoline-amido-phenolate ligands: structural and catalytic implications with the role of halogen ions.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","738","745","10.1039/d3dt03733a","","","0.71073","MoKα","","0.0827","0.0628","","","0.1502","0.1681","","","","","","1.031","","","","has coordinates","289515","2024-02-04","12:00:16",""
"7714642","9.9392","0.0005","13.5508","0.0007","17.0101","0.0009","102.251","0.002","95.511","0.002","104.691","0.002","2138.24","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H50 Br2 Mg2 N4 O6 -","- C42 H50 Br2 Mg2 N4 O6 -","- C84 H100 Br4 Mg4 N8 O12 -","2","1","","Chen, Ming-Tsz; Wu, Pei-Zheng; Liao, Chi-Chung; Hung, Kai-Wei; Shen, Pin-Chi","Grignard reagents as deprotonation agents for oxazoline-amido-phenolate ligands: structural and catalytic implications with the role of halogen ions.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","738","745","10.1039/d3dt03733a","","","0.71073","MoKα","","0.0557","0.0402","","","0.1059","0.118","","","","","","1.047","","","","has coordinates","289515","2024-02-04","12:00:16",""
"7714643","18.1833","0.0014","12.0913","0.0014","12.3509","0.0012","90","","93.667","0.008","90","","2709.9","0.5","150.01","","150.01","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H23 B N O2 -","- C13 H23 B N O2 -","- C104 H184 B8 N8 O16 -","8","1","","Bedi, Vaibhav; Mandal, Dipendu; Hussain, Zahid; Chen, Shi-Ming; Wu, Yile; Qu, Zheng-Wang; Grimme, Stefan; Stephan, Douglas W.","The impact of Lewis acid variation on reactions with di-<i>tert</i>-butyl diazo diesters.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","439","443","10.1039/d3dt03506a","","","0.71073","MoKα","","0.0621","0.0481","","","0.1201","0.1347","","","","","","1.0796","","","","has coordinates","289525","2024-02-04","12:02:28",""
"7714644","8.75","0.002","8.991","0.003","15.956","0.005","90","","90","","90","","1255.3","0.6","149.68","","149.68","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H21 B F4.25 N2 -","- C8 H21 B F4.25 N2 -","- C32 H84 B4 F17 N8 -","4","1","","Bedi, Vaibhav; Mandal, Dipendu; Hussain, Zahid; Chen, Shi-Ming; Wu, Yile; Qu, Zheng-Wang; Grimme, Stefan; Stephan, Douglas W.","The impact of Lewis acid variation on reactions with di-<i>tert</i>-butyl diazo diesters.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","439","443","10.1039/d3dt03506a","","","0.71073","MoKα","","0.0908","0.0744","","","0.1971","0.2216","","","","","","1.0762","","","","has coordinates,has disorder","289525","2024-02-04","12:02:28",""
"7714645","20.394","0.003","8.2279","0.0011","19.557","0.003","90","","95.375","0.006","90","","3267.2","0.8","150.02","","150.02","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H9.5 B0.5 F10 N -","- C16 H9.5 B0.5 F10 N -","- C128 H76 B4 F80 N8 -","8","1","","Bedi, Vaibhav; Mandal, Dipendu; Hussain, Zahid; Chen, Shi-Ming; Wu, Yile; Qu, Zheng-Wang; Grimme, Stefan; Stephan, Douglas W.","The impact of Lewis acid variation on reactions with di-<i>tert</i>-butyl diazo diesters.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","439","443","10.1039/d3dt03506a","","","0.71073","MoKα","","0.0832","0.0395","","","0.0784","0.0992","","","","","","1.0887","","","","has coordinates","289525","2024-02-04","12:02:28",""
"7714646","11.4847","0.0004","13.8486","0.0005","27.0798","0.001","90","","98.107","0.001","90","","4263.9","0.3","298","2","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H34 Cl6 Cu N5 O8 -","- C39 H34 Cl6 Cu N5 O8 -","- C156 H136 Cl24 Cu4 N20 O32 -","4","1","","Mathur, Shobhit; Karumban, Kalai Selvan; Muley, Arabinda; Tuti, Nikhil; Shaji, Unnikrishnan Paruthiyezhath; Roy, Indrajit; Verma, Anushka; Kumawat, Manoj Kumar; Roy, Anindya; Maji, Somnath","Chromophore appended DPA-based copper(II) complexes with a diimine motif towards DNA binding and fragmentation studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1163","1177","10.1039/d3dt01864d","","","0.71073","MoKα","","0.0978","0.0499","","","0.1152","0.139","","","","","","1.045","","","","has coordinates,has disorder","289543","2024-02-04","12:05:59",""
"7714647","17.903","0.001","14.6724","0.001","28.0693","0.0018","90","","93.893","0.002","90","","7356.2","0.8","298","2","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H33 Cl2 Cu N5 O9 -","- C39 H33 Cl2 Cu N5 O9 -","- C312 H264 Cl16 Cu8 N40 O72 -","8","1","","Mathur, Shobhit; Karumban, Kalai Selvan; Muley, Arabinda; Tuti, Nikhil; Shaji, Unnikrishnan Paruthiyezhath; Roy, Indrajit; Verma, Anushka; Kumawat, Manoj Kumar; Roy, Anindya; Maji, Somnath","Chromophore appended DPA-based copper(II) complexes with a diimine motif towards DNA binding and fragmentation studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1163","1177","10.1039/d3dt01864d","","","0.71073","MoKα","","0.0527","0.0367","","","0.0843","0.0928","","","","","","1.03","","","","has coordinates,has disorder","289543","2024-02-04","12:06:00",""
"7714648","10.557","0.009","9.449","0.008","13.336","0.009","90","","122.72","0.05","90","","1119.2","1.7","293.15","","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Rb3MgB5O10","","- B5 Mg O10 Rb3 -","- B5 Mg O10 Rb3 -","- B20 Mg4 O40 Rb12 -","4","1","","Su, Hongkang; Jiao, Jiahao; Wang, Shibin; An, Donghai; Zhang, Min","Rb<sub>3</sub>MgB<sub>5</sub>O<sub>10</sub> and LiBaAl(BO<sub>3</sub>)<sub>2</sub>: covalent tetrahedra MO<sub>4</sub>-containing borates with deep-ultraviolet cutoff edges.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","932","937","10.1039/d3dt03288d","","","0.71073","MoKα","","0.0885","0.0501","","","0.0943","0.1081","","","","","","1.046","","","","has coordinates","289550","2024-02-04","12:08:45",""
"7714649","4.9161","0.0001","8.7222","0.0002","13.228","0.0003","90","","108.29","0.001","90","","538.55","0.02","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","LiBaAl(BO3)2","","- Al B2 Ba Li O6 -","- Al B2 Ba Li O6 -","- Al4 B8 Ba4 Li4 O24 -","4","1","","Su, Hongkang; Jiao, Jiahao; Wang, Shibin; An, Donghai; Zhang, Min","Rb<sub>3</sub>MgB<sub>5</sub>O<sub>10</sub> and LiBaAl(BO<sub>3</sub>)<sub>2</sub>: covalent tetrahedra MO<sub>4</sub>-containing borates with deep-ultraviolet cutoff edges.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","932","937","10.1039/d3dt03288d","","x-ray","0.71073","MoKα","","0.0116","0.0109","","","0.0257","0.0259","","","","","","1.12","","","","has coordinates","289550","2024-02-04","12:08:55",""
"7714650","8.2151","0.0006","13.4093","0.001","14.4049","0.001","87.978","0.002","74.903","0.002","75.46","0.002","1482.22","0.19","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C27 H29 B Cl0.31 Co I0.69 N9 O3 -","- C27 H29 B Cl0.31 Co I0.69 N9 O3 -","- C54 H58 B2 Cl0.62 Co2 I1.38 N18 O6 -","2","1","","Belova, Svetlana A.; Belov, Alexander S.; Danshina, Anastasia A.; Zubavichus, Yan V.; Aleshin, Dmitriy Yu; Pavlov, Alexander A.; Efimov, Nikolay N.; Voloshin, Yan Z.","Effects of solvatomorphism, the nature of a chelating ligand synthon and a counterion on the single crystal XRD structure and SMM properties of paramagnetic monocapped cobalt(II) tris-pyrazoloximates.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1482","1491","10.1039/d3dt03025c","","","0.71073","MoKα","","0.0652","0.04","","","0.0828","0.0922","","","","","","1.026","","","","has coordinates,has disorder","289512","2024-02-04","11:59:38",""
"7714651","8.096","0.002","10.116","0.003","18.105","0.005","78.627","0.006","77.176","0.006","80.835","0.006","1407","0.7","120.15","","120.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H29 B Cl Co N9 O4 -","- C24 H29 B Cl Co N9 O4 -","- C48 H58 B2 Cl2 Co2 N18 O8 -","2","1","","Belova, Svetlana A.; Belov, Alexander S.; Danshina, Anastasia A.; Zubavichus, Yan V.; Aleshin, Dmitriy Yu; Pavlov, Alexander A.; Efimov, Nikolay N.; Voloshin, Yan Z.","Effects of solvatomorphism, the nature of a chelating ligand synthon and a counterion on the single crystal XRD structure and SMM properties of paramagnetic monocapped cobalt(II) tris-pyrazoloximates.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1482","1491","10.1039/d3dt03025c","","","0.71073","MoKα","","0.1173","0.0775","","","0.2092","0.2351","","","","","","1.079","","","","has coordinates","289512","2024-02-04","11:59:38",""
"7714652","8.3209","0.0017","19.369","0.004","18.121","0.004","90","","95.84","0.03","90","","2905.4","1.1","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 B Cl4 Co N9 O3 -","- C22 H24 B Cl4 Co N9 O3 -","- C88 H96 B4 Cl16 Co4 N36 O12 -","4","1","","Belova, Svetlana A.; Belov, Alexander S.; Danshina, Anastasia A.; Zubavichus, Yan V.; Aleshin, Dmitriy Yu; Pavlov, Alexander A.; Efimov, Nikolay N.; Voloshin, Yan Z.","Effects of solvatomorphism, the nature of a chelating ligand synthon and a counterion on the single crystal XRD structure and SMM properties of paramagnetic monocapped cobalt(II) tris-pyrazoloximates.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1482","1491","10.1039/d3dt03025c","","","0.9626","synchrotron","","0.1194","0.0742","","","0.1454","0.174","","","","","","0.95","","","","has coordinates","289512","2024-02-04","11:59:38",""
"7714653","8.1745","0.0016","13.088","0.003","14.139","0.003","89.31","0.03","75.61","0.03","78.6","0.03","1435.2","0.6","120.15","","120.15","","","","","","","","","7","P -1","-P 1","2","","","","- C25 H31 B Br Co N9 O4 -","- C25 H31 B Br Co N9 O4 -","- C50 H62 B2 Br2 Co2 N18 O8 -","2","1","","Belova, Svetlana A.; Belov, Alexander S.; Danshina, Anastasia A.; Zubavichus, Yan V.; Aleshin, Dmitriy Yu; Pavlov, Alexander A.; Efimov, Nikolay N.; Voloshin, Yan Z.","Effects of solvatomorphism, the nature of a chelating ligand synthon and a counterion on the single crystal XRD structure and SMM properties of paramagnetic monocapped cobalt(II) tris-pyrazoloximates.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1482","1491","10.1039/d3dt03025c","","","0.71073","MoKα","","0.1299","0.0555","","","0.1028","0.1247","","","","","","0.948","","","","has coordinates,has disorder","289512","2024-02-04","11:59:38",""
"7714654","8.16","0.0016","13.4","0.003","13.69","0.003","92.98","0.03","102.15","0.03","96.45","0.03","1449.7","0.6","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H29 B Cl Co N9 O3 -","- C27 H29 B Cl Co N9 O3 -","- C54 H58 B2 Cl2 Co2 N18 O6 -","2","1","","Belova, Svetlana A.; Belov, Alexander S.; Danshina, Anastasia A.; Zubavichus, Yan V.; Aleshin, Dmitriy Yu; Pavlov, Alexander A.; Efimov, Nikolay N.; Voloshin, Yan Z.","Effects of solvatomorphism, the nature of a chelating ligand synthon and a counterion on the single crystal XRD structure and SMM properties of paramagnetic monocapped cobalt(II) tris-pyrazoloximates.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1482","1491","10.1039/d3dt03025c","","","0.7927","synchrotron","","0.0366","0.0326","","","0.0865","0.0894","","","","","","1.018","","","","has coordinates,has disorder","289512","2024-02-04","11:59:38",""
"7714655","9.1009","0.0007","14.2006","0.001","16.7978","0.0012","90","","100.58","0.002","90","","2134","0.3","120.15","","120.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 B Cl Co N9 O3 -","- C18 H17 B Cl Co N9 O3 -","- C72 H68 B4 Cl4 Co4 N36 O12 -","4","1","","Belova, Svetlana A.; Belov, Alexander S.; Danshina, Anastasia A.; Zubavichus, Yan V.; Aleshin, Dmitriy Yu; Pavlov, Alexander A.; Efimov, Nikolay N.; Voloshin, Yan Z.","Effects of solvatomorphism, the nature of a chelating ligand synthon and a counterion on the single crystal XRD structure and SMM properties of paramagnetic monocapped cobalt(II) tris-pyrazoloximates.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1482","1491","10.1039/d3dt03025c","","","0.71073","MoKα","","0.0521","0.0359","","","0.0771","0.0848","","","","","","1.022","","","","has coordinates","289512","2024-02-04","11:59:38",""
"7714656","8.709","0.0017","28.144","0.006","10.552","0.002","90","","99.775","0.004","90","","2548.8","0.9","120.15","","120.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 B Co I N9 O3 -","- C21 H23 B Co I N9 O3 -","- C84 H92 B4 Co4 I4 N36 O12 -","4","1","","Belova, Svetlana A.; Belov, Alexander S.; Danshina, Anastasia A.; Zubavichus, Yan V.; Aleshin, Dmitriy Yu; Pavlov, Alexander A.; Efimov, Nikolay N.; Voloshin, Yan Z.","Effects of solvatomorphism, the nature of a chelating ligand synthon and a counterion on the single crystal XRD structure and SMM properties of paramagnetic monocapped cobalt(II) tris-pyrazoloximates.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1482","1491","10.1039/d3dt03025c","","","0.71073","MoKα","","0.1336","0.0749","","","0.1862","0.2241","","","","","","1.024","","","","has coordinates,has disorder","289512","2024-02-04","11:59:38",""
"7714657","15.744","0.003","8.1571","0.0016","18.785","0.004","90","","95.17","0.03","90","","2402.7","0.8","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 B Cl Co N9 O3 -","- C21 H23 B Cl Co N9 O3 -","- C84 H92 B4 Cl4 Co4 N36 O12 -","4","1","","Belova, Svetlana A.; Belov, Alexander S.; Danshina, Anastasia A.; Zubavichus, Yan V.; Aleshin, Dmitriy Yu; Pavlov, Alexander A.; Efimov, Nikolay N.; Voloshin, Yan Z.","Effects of solvatomorphism, the nature of a chelating ligand synthon and a counterion on the single crystal XRD structure and SMM properties of paramagnetic monocapped cobalt(II) tris-pyrazoloximates.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1482","1491","10.1039/d3dt03025c","","","0.80246","synchrotron","","0.0468","0.0443","","","0.1098","0.1117","","","","","","1.063","","","","has coordinates","289512","2024-02-04","11:59:38",""
"7714658","8.25","0.0016","13.319","0.003","14.251","0.003","89.48","0.03","74.35","0.03","76.82","0.03","1465.9","0.6","100.15","","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H29 B Br Co N9 O3 -","- C27 H29 B Br Co N9 O3 -","- C54 H58 B2 Br2 Co2 N18 O6 -","2","1","","Belova, Svetlana A.; Belov, Alexander S.; Danshina, Anastasia A.; Zubavichus, Yan V.; Aleshin, Dmitriy Yu; Pavlov, Alexander A.; Efimov, Nikolay N.; Voloshin, Yan Z.","Effects of solvatomorphism, the nature of a chelating ligand synthon and a counterion on the single crystal XRD structure and SMM properties of paramagnetic monocapped cobalt(II) tris-pyrazoloximates.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1482","1491","10.1039/d3dt03025c","","","0.9699","synchrotron","","0.0857","0.0653","","","0.1572","0.1766","","","","","","1.081","","","","has coordinates","289512","2024-02-04","11:59:38",""
"7714659","10.8031","0.0003","11.9354","0.0004","23.5047","0.0006","90","","109.463","0.002","90","","2857.5","0.15","293","2","293","3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Cu2 N4 O15 S -","- C22 H26 Cu2 N4 O15 S -","- C88 H104 Cu8 N16 O60 S4 -","4","1","","Duan, Wen-Long; Wang, Kai-Tong; Yan, Feng; Luan, Jian","Fabrication of multinuclear copper cluster-based coordination polymers as urease inhibitors.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1336","1345","10.1039/d3dt03459c","","","0.71073","MoKα","","0.0743","0.048","","","0.1042","0.1166","","","","","","1.122","","","","has coordinates,has disorder","289542","2024-02-04","12:05:47",""
"7714660","9.5561","0.0008","10.8019","0.0009","11.0894","0.001","79.438","0.003","79.785","0.003","66.454","0.003","1024.7","0.15","296","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 Cu N2 O5 -","- C21 H15 Cu N2 O5 -","- C42 H30 Cu2 N4 O10 -","2","1","","Duan, Wen-Long; Wang, Kai-Tong; Yan, Feng; Luan, Jian","Fabrication of multinuclear copper cluster-based coordination polymers as urease inhibitors.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1336","1345","10.1039/d3dt03459c","","","0.71073","MoKα","","0.1269","0.0601","","","0.1436","0.178","","","","","","1.032","","","","has coordinates,has disorder","289542","2024-02-04","12:05:47",""
"7714661","27.5","0.003","15.6784","0.0015","16.0249","0.0016","90","","101.176","0.002","90","","6778.2","1.2","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[tri(2,4-dimetybenzoato)(1,10-phenanthroline)europium]","","- C39 H35 Eu N2 O6 -","- C39 H35 Eu N2 O6 -","- C312 H280 Eu8 N16 O48 -","8","1","","Duan, Wen-Long; Wang, Kai-Tong; Yan, Feng; Luan, Jian","Fabrication of multinuclear copper cluster-based coordination polymers as urease inhibitors.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1336","1345","10.1039/d3dt03459c","","","0.71073","MoKα","","0.0462","0.0284","","","0.0584","0.0645","","","","","","1.048","","","","has coordinates","289542","2024-02-04","12:05:47",""
"7714662","13.8972","0.0001","15.6087","0.0001","41.3288","0.0003","90","","90","","90","","8964.93","0.11","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C52 H72 B2 N2 -","- C52 H72 B2 N2 -","- C416 H576 B16 N16 -","8","1","","Dietz, Maximilian; Arrowsmith, Merle; Braunschweig, Holger","CAAC-stabilised 9,10-diboraanthracene: an electronically and structurally flexible platform for small-molecule activation and metal complexation.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","449","453","10.1039/d3dt03787h","","x-ray","1.54184","CuKα","K-L~2,3~","0.0595","0.0463","","","0.1211","0.1287","","","","","","1.073","","","","has coordinates","289528","2024-02-04","12:03:21",""
"7714663","7.7792","0.0017","10.3","0.003","10.4076","0.0019","78.833","0.008","82.411","0.011","78.433","0.009","797.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H50 B2 N2 O2 -","- C36 H50 B2 N2 O2 -","- C36 H50 B2 N2 O2 -","1","0.5","","Dietz, Maximilian; Arrowsmith, Merle; Braunschweig, Holger","CAAC-stabilised 9,10-diboraanthracene: an electronically and structurally flexible platform for small-molecule activation and metal complexation.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","449","453","10.1039/d3dt03787h","","","0.71073","MoKα","","0.0477","0.0393","","","0.0931","0.0986","","","","","","1.057","","","","has coordinates","289528","2024-02-04","12:03:21",""
"7714664","19.1301","0.0008","10.9095","0.0004","24.8499","0.0011","90","","93.027","0.002","90","","5178.9","0.4","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C59 H78 B2 Mo N2 O4 -","- C59 H78 B2 Mo N2 O4 -","- C236 H312 B8 Mo4 N8 O16 -","4","2","","Dietz, Maximilian; Arrowsmith, Merle; Braunschweig, Holger","CAAC-stabilised 9,10-diboraanthracene: an electronically and structurally flexible platform for small-molecule activation and metal complexation.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","449","453","10.1039/d3dt03787h","","x-ray","0.71073","MoKα","K-L~2,3~","0.0804","0.0572","","","0.1242","0.1433","","","","","","1.115","","","","has coordinates,has disorder","289528","2024-02-04","12:03:21",""
"7714665","19.147","0.0006","10.9198","0.0004","24.8088","0.001","90","","93.027","0.001","90","","5179.8","0.3","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C59 H78 B2 N2 O4 W -","- C59 H78 B2 N2 O4 W -","- C236 H312 B8 N8 O16 W4 -","4","2","","Dietz, Maximilian; Arrowsmith, Merle; Braunschweig, Holger","CAAC-stabilised 9,10-diboraanthracene: an electronically and structurally flexible platform for small-molecule activation and metal complexation.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","449","453","10.1039/d3dt03787h","","x-ray","0.71073","MoKα","K-L~2,3~","0.0234","0.0207","","","0.0462","0.0482","","","","","","1.042","","","","has coordinates,has disorder","289528","2024-02-04","12:03:21",""
"7714666","11.2526","0.0001","22.8684","0.0002","19.7806","0.0002","90","","93.883","0.001","90","","5078.44","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H78 B2 Cr N2 O4 -","- C59 H78 B2 Cr N2 O4 -","- C236 H312 B8 Cr4 N8 O16 -","4","1","","Dietz, Maximilian; Arrowsmith, Merle; Braunschweig, Holger","CAAC-stabilised 9,10-diboraanthracene: an electronically and structurally flexible platform for small-molecule activation and metal complexation.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","449","453","10.1039/d3dt03787h","","x-ray","1.54184","CuKα","K-L~2,3~","0.0375","0.035","","","0.0966","0.0981","","","","","","1.038","","","","has coordinates","289528","2024-02-04","12:03:21",""
"7714667","11.4791","0.0001","13.0245","0.0001","22.3883","0.0001","79.339","0.001","86.627","0.001","86.676","0.001","3280","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C79 H96 B2 N5 -","- C79 H96 B2 N5 -","- C158 H192 B4 N10 -","2","1","","Dietz, Maximilian; Arrowsmith, Merle; Braunschweig, Holger","CAAC-stabilised 9,10-diboraanthracene: an electronically and structurally flexible platform for small-molecule activation and metal complexation.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","449","453","10.1039/d3dt03787h","","x-ray","1.54184","CuKα","K-L~2,3~","0.0383","0.0359","","","0.0938","0.0962","","","","","","0.856","","","","has coordinates","289528","2024-02-04","12:03:21",""
"7714668","7.2144","0.0004","7.2144","","20.4704","0.0009","90","","90","","120","","922.69","0.07","300","","300","","","","100","","","","","2","R -3 :H","-R 3","148","","indium triiodide","","- I3 In -","- I In0.333333 -","- I18 In6 -","18","1","","Ni, Danrui; Wang, Haozhe; Xu, Xianghan; Xie, Weiwei; Cava, Robert J.","The pressure-stabilized polymorph of indium triiodide.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","434","438","10.1039/d3dt03771a","powder diffraction","x-ray","1.54051","CuKα","","","","","","0.12291","","0.12487","","2.479","","","","","","","has coordinates","289524","2024-02-04","12:01:53",""
"7714669","14.48","0.0001","14.1304","0.0001","16.5352","0.0001","90","","100.969","0.001","90","","3321.43","0.04","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H43 Al Br N2 O -","- C32 H43 Al Br N2 O -","- C128 H172 Al4 Br4 N8 O4 -","4","1","","Goswami, Santu; Mandal, Pranay; Sarkar, Subham; Mukherjee, Mainak; Pal, Samanwita; Mallick, Dibyendu; Mukherjee, Debabrata","Flexible NHC-aryloxido aluminum complex and its zwitterionic imidazolium aluminate precursor in ring-opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1346","1354","10.1039/d3dt02932h","","x-ray","1.54184","CuKα","","0.0401","0.0395","","","0.1046","0.105","","","","","","1.056","","","","has coordinates","289552","2024-02-04","12:11:41",""
"7714670","12.677","0.0002","12.1215","0.0002","13.1408","0.0002","90","","98.944","0.002","90","","1994.72","0.06","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H59 Al N2 O -","- C44 H59 Al N2 O -","- C88 H118 Al2 N4 O2 -","2","1","","Goswami, Santu; Mandal, Pranay; Sarkar, Subham; Mukherjee, Mainak; Pal, Samanwita; Mallick, Dibyendu; Mukherjee, Debabrata","Flexible NHC-aryloxido aluminum complex and its zwitterionic imidazolium aluminate precursor in ring-opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1346","1354","10.1039/d3dt02932h","","x-ray","1.54184","CuKα","","0.0457","0.0422","","","0.1157","0.1202","","","","","","1.127","","","","has coordinates","289552","2024-02-04","12:11:42",""
"7714671","9.875","0.004","12.159","0.004","19.275","0.007","102.317","0.004","101.497","0.004","100.446","0.0013","2154.3","1.4","103","2","103","2","","","","","","","","4","P -1","-P 1","2","diphosphene","","","- C45 H64 B P3 -","- C45 H64 B P3 -","- C90 H128 B2 P6 -","2","1","","Tsurusaki, Akihiro; Takechi, Shingo; Kamikawa, Ken","Diphosphene with a phosphineborane tether and its rhodium complex.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","2929","2936","10.1039/d3dt03509c","","","0.71075","MoKα","","0.0614","0.0437","","","0.1104","0.1197","","","","","","1.053","","","","has coordinates,has disorder","290196","2024-03-04","20:21:29",""
"7714672","10.4512","0.0002","13.8345","0.0003","23.1447","0.0004","97.4885","0.0016","96.6648","0.0017","101.852","0.0017","3211.79","0.11","100.02","0.1","100.02","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C59 H88 B2 Cl6 F4 P3 Rh -","- C57 H84 B2 Cl4 F4 P3 Rh -","- C114 H168 B4 Cl8 F8 P6 Rh2 -","2","1","","Tsurusaki, Akihiro; Takechi, Shingo; Kamikawa, Ken","Diphosphene with a phosphineborane tether and its rhodium complex.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","2929","2936","10.1039/d3dt03509c","","x-ray","1.54184","CuKα","","0.0578","0.0527","","","0.1344","0.1378","","","","","","1.022","","","","has coordinates,has disorder","290196","2024-03-04","20:21:29",""
"7714673","9.1308","0.0006","28.357","0.003","10.3214","0.0008","90","","105.792","0.006","90","","2571.6","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Eu N5 O15 Zn -","- C19 H22 Eu N5 O15 Zn -","- C76 H88 Eu4 N20 O60 Zn4 -","4","1","","Mičová, Romana; Bielková, Zuzana; Rajnák, Cyril; Titiš, Ján; Moncoľ, Ján; Bieńko, Alina; Boča, Roman","Magnetic properties of a europium(III) complex - possible multiplet crossover.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1492","1496","10.1039/d3dt03901c","","","1.54186","CuKα","","0.1044","0.0915","","","0.2616","0.2735","","","","","","1.068","","","","has coordinates,has disorder","289506","2024-02-04","11:58:13",""
"7714674","19.047","0.006","12.115","0.004","10.586","0.004","90","","90","","90","","2442.8","1.4","273","2","273.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C27 H25 N3 O2 S Zn -","- C27 H25 N3 O2 S Zn -","- C108 H100 N12 O8 S4 Zn4 -","4","1","","Atta, Sayan; Mandal, Amit; Saha, Rahul; Majumdar, Amit","Reduction of nitrite to nitric oxide and generation of reactive chalcogen species by mononuclear Fe(II) and Zn(II) complexes of thiolate and selenolate.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","949","965","10.1039/d3dt03768a","","x-ray","0.71073","MoKα","","0.0551","0.0309","","","0.0567","0.064","","","","","","1.009","","","","has coordinates","289545","2024-02-04","12:07:00",""
"7714675","19.1361","0.0008","12.0931","0.0005","10.4127","0.0004","90","","90","","90","","2409.65","0.17","145","2","145.01","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C27 H25 N3 O2 Se Zn -","- C27 H25 N3 O2 Se Zn -","- C108 H100 N12 O8 Se4 Zn4 -","4","1","","Atta, Sayan; Mandal, Amit; Saha, Rahul; Majumdar, Amit","Reduction of nitrite to nitric oxide and generation of reactive chalcogen species by mononuclear Fe(II) and Zn(II) complexes of thiolate and selenolate.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","949","965","10.1039/d3dt03768a","","x-ray","0.71073","MoKα","","0.0371","0.0289","","","0.055","0.0584","","","","","","1.048","","","","has coordinates","289545","2024-02-04","12:07:01",""
"7714676","11.3033","0.0005","14.9444","0.0006","15.7897","0.0007","90","","103.715","0.004","90","","2591.2","0.2","160","20","160","20","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H29 Fe N3 O2 S -","- C29 H29 Fe N3 O2 S -","- C116 H116 Fe4 N12 O8 S4 -","4","1","","Atta, Sayan; Mandal, Amit; Saha, Rahul; Majumdar, Amit","Reduction of nitrite to nitric oxide and generation of reactive chalcogen species by mononuclear Fe(II) and Zn(II) complexes of thiolate and selenolate.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","949","965","10.1039/d3dt03768a","","x-ray","0.71073","MoKα","","0.0327","0.0296","","","0.0743","0.0764","","","","","","1.027","","","","has coordinates","289545","2024-02-04","12:07:01",""
"7714677","19.0369","0.0015","12.0159","0.0009","10.4305","0.0008","90","","90","","90","","2385.9","0.3","155.01","0.11","155.01","0.11","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C27 H25 Fe N3 O2 S -","- C27 H25 Fe N3 O2 S -","- C108 H100 Fe4 N12 O8 S4 -","4","1","","Atta, Sayan; Mandal, Amit; Saha, Rahul; Majumdar, Amit","Reduction of nitrite to nitric oxide and generation of reactive chalcogen species by mononuclear Fe(II) and Zn(II) complexes of thiolate and selenolate.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","949","965","10.1039/d3dt03768a","","x-ray","0.71073","MoKα","","0.0347","0.0305","","","0.0637","0.0663","","","","","","1.036","","","","has coordinates","289545","2024-02-04","12:07:01",""
"7714678","9.8506","0.0014","10.1305","0.0015","10.4984","0.0013","105.549","0.012","90.387","0.011","91.566","0.012","1008.8","0.2","146.7","0.6","146.7","0.6","","","","","","","","7","P -1","-P 1","2","","","","- C42 H40 B2 F8 N6 O4 Zn2 -","- C42 H40 B2 F8 N6 O4 Zn2 -","- C42 H40 B2 F8 N6 O4 Zn2 -","1","0.5","","Atta, Sayan; Mandal, Amit; Saha, Rahul; Majumdar, Amit","Reduction of nitrite to nitric oxide and generation of reactive chalcogen species by mononuclear Fe(II) and Zn(II) complexes of thiolate and selenolate.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","949","965","10.1039/d3dt03768a","","x-ray","0.71073","MoKα","","0.1155","0.0757","","","0.1615","0.1864","","","","","","1.019","","","","has coordinates","289545","2024-02-04","12:07:01",""
"7714679","11.1974","0.0012","12.573","0.0012","14.8997","0.0012","103.67","0.003","110.022","0.003","104.957","0.003","1778.1","0.3","145","2","145.01","","","","","","","","","6","P -1","-P 1","2","","","","- C90 H76 B2 Fe2 N6 O4 -","- C90 H76 B2 Fe2 N6 O4 -","- C90 H76 B2 Fe2 N6 O4 -","1","0.5","","Atta, Sayan; Mandal, Amit; Saha, Rahul; Majumdar, Amit","Reduction of nitrite to nitric oxide and generation of reactive chalcogen species by mononuclear Fe(II) and Zn(II) complexes of thiolate and selenolate.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","949","965","10.1039/d3dt03768a","","x-ray","0.71073","MoKα","","0.1019","0.0659","","","0.1421","0.1637","","","","","","1.035","","","","has coordinates,has disorder","289545","2024-02-04","12:07:01",""
"7714680","15.2257","0.0012","12.0543","0.0009","21.5492","0.0017","90","","90","","90","","3955","0.5","297","2","297.06","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H20 Br N3 O2 Zn -","- C21 H20 Br N3 O2 Zn -","- C168 H160 Br8 N24 O16 Zn8 -","8","1","","Atta, Sayan; Mandal, Amit; Saha, Rahul; Majumdar, Amit","Reduction of nitrite to nitric oxide and generation of reactive chalcogen species by mononuclear Fe(II) and Zn(II) complexes of thiolate and selenolate.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","949","965","10.1039/d3dt03768a","","x-ray","0.71073","MoKα","","0.0366","0.0262","","","0.0611","0.0656","","","","","","1.026","","","","has coordinates","289545","2024-02-04","12:07:01",""
"7714681","19.172","0.005","12.076","0.003","10.439","0.003","90","","90","","90","","2416.8","1.1","148","2","147.79","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C27 H25 Fe N3 O2 Se -","- C27 H25 Fe N3 O2 Se -","- C108 H100 Fe4 N12 O8 Se4 -","4","1","","Atta, Sayan; Mandal, Amit; Saha, Rahul; Majumdar, Amit","Reduction of nitrite to nitric oxide and generation of reactive chalcogen species by mononuclear Fe(II) and Zn(II) complexes of thiolate and selenolate.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","949","965","10.1039/d3dt03768a","","x-ray","0.71073","MoKα","","0.0398","0.0305","","","0.0644","0.0683","","","","","","1.036","","","","has coordinates","289545","2024-02-04","12:07:01",""
"7714682","11.2316","0.0014","14.8312","0.0018","15.672","0.002","90","","103.532","0.013","90","","2538.1","0.6","147.7","0.9","147.7","0.9","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H29 N3 O2 S Zn -","- C29 H29 N3 O2 S Zn -","- C116 H116 N12 O8 S4 Zn4 -","4","1","","Atta, Sayan; Mandal, Amit; Saha, Rahul; Majumdar, Amit","Reduction of nitrite to nitric oxide and generation of reactive chalcogen species by mononuclear Fe(II) and Zn(II) complexes of thiolate and selenolate.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","949","965","10.1039/d3dt03768a","","x-ray","0.71073","MoKα","","0.1338","0.0777","","","0.1676","0.2056","","","","","","1.024","","","","has coordinates","289545","2024-02-04","12:07:01",""
"7714683","7.734","0.002","8.957","0.003","16.769","0.005","96.92","0.01","92.869","0.01","112.143","0.008","1062.4","0.6","149","2","149.13","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H21 Br2 N3 O2 Zn -","- C21 H21 Br2 N3 O2 Zn -","- C42 H42 Br4 N6 O4 Zn2 -","2","1","","Atta, Sayan; Mandal, Amit; Saha, Rahul; Majumdar, Amit","Reduction of nitrite to nitric oxide and generation of reactive chalcogen species by mononuclear Fe(II) and Zn(II) complexes of thiolate and selenolate.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","949","965","10.1039/d3dt03768a","","x-ray","0.71073","MoKα","","0.0461","0.0399","","","0.1045","0.1084","","","","","","1.02","","","","has coordinates","289545","2024-02-04","12:07:01",""
"7714684","9.4688","0.0005","13.1273","0.0008","20.2985","0.0011","90","","97.877","0.002","90","","2499.3","0.2","148","2","147.67","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 N5 O2 S2 Zn -","- C25 H21 N5 O2 S2 Zn -","- C100 H84 N20 O8 S8 Zn4 -","4","1","","Atta, Sayan; Mandal, Amit; Saha, Rahul; Majumdar, Amit","Reduction of nitrite to nitric oxide and generation of reactive chalcogen species by mononuclear Fe(II) and Zn(II) complexes of thiolate and selenolate.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","949","965","10.1039/d3dt03768a","","x-ray","0.71073","MoKα","","0.122","0.0805","","","0.2142","0.2486","","","","","","1.026","","","","has coordinates","289545","2024-02-04","12:07:01",""
"7714685","10.613","0.004","15.673","0.006","14.617","0.006","90","","100.532","0.012","90","","2390.4","1.6","125.32","","125.32","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H40 Fe2 N8 O9 -","- C42 H40 Fe2 N8 O9 -","- C84 H80 Fe4 N16 O18 -","2","0.5","","Atta, Sayan; Mandal, Amit; Saha, Rahul; Majumdar, Amit","Reduction of nitrite to nitric oxide and generation of reactive chalcogen species by mononuclear Fe(II) and Zn(II) complexes of thiolate and selenolate.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","949","965","10.1039/d3dt03768a","","x-ray","0.71073","MoKα","","0.0727","0.0545","","","0.1467","0.1604","","","","","","1.092","","","","has coordinates,has disorder","289545","2024-02-04","12:07:01",""
"7714686","15.507","0.004","11.929","0.003","21.331","0.005","90","","90","","90","","3945.9","1.7","150","2","150.05","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H20 N4 O4 Zn -","- C21 H20 N4 O4 Zn -","- C168 H160 N32 O32 Zn8 -","8","1","","Atta, Sayan; Mandal, Amit; Saha, Rahul; Majumdar, Amit","Reduction of nitrite to nitric oxide and generation of reactive chalcogen species by mononuclear Fe(II) and Zn(II) complexes of thiolate and selenolate.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","949","965","10.1039/d3dt03768a","","x-ray","0.71073","MoKα","","0.0735","0.0451","","","0.1051","0.1249","","","","","","1.037","","","","has coordinates,has disorder","289545","2024-02-04","12:07:01",""
"7714687","9.4658","0.0002","13.3186","0.0004","13.3608","0.0004","64.194","0.001","72.956","0.001","82.65","0.001","1449.83","0.07","293.2","","293.2","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H40 Cu N2 O3 -","- C24 H40 Cu N2 O3 -","- C48 H80 Cu2 N4 O6 -","2","1","","Li, Shuyu; Wu, Die; Wang, Xiting; Xiong, Jiaxing; Zhang, Li; Ma, Kaili","Zeolite-encapsulated copper(II) complexes with NNO-tridentate Schiff base ligands: catalytic activity for methylene blue (MB) degradation under near neutral conditions.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1517","1527","10.1039/d3dt03694d","","x-ray","0.71073","MoKα","","0.0618","0.0464","","","0.122","0.1334","","","","","","1.042","","","","has coordinates","289497","2024-02-04","11:55:35",""
"7714688","9.0809","0.0007","11.6416","0.0008","12.6776","0.0011","78.587","0.007","84.102","0.007","81.662","0.006","1296.04","0.18","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H24 Br Mn N4 O4 -","- C27 H24 Br Mn N4 O4 -","- C54 H48 Br2 Mn2 N8 O8 -","2","1","","Stevens, Michael A.; Lim, Li Feng; Pham, Le Nhan; Cox, Nicholas; Coote, Michelle L.; Colebatch, Annie L.","A one-pot reduction route to bimetallic manganese 1,8-naphthyridine complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1284","1294","10.1039/d3dt03709f","","x-ray","1.54184","CuKα","","0.1122","0.0683","","","0.1744","0.2031","","","","","","1.026","","","","has coordinates","289558","2024-02-04","12:14:51",""
"7714689","15.978","0.0004","10.8779","0.0002","13.9502","0.0003","90","","96.032","0.002","90","","2411.22","0.09","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 Mn2 N4 O6 -","- C26 H16 Mn2 N4 O6 -","- C104 H64 Mn8 N16 O24 -","4","0.5","","Stevens, Michael A.; Lim, Li Feng; Pham, Le Nhan; Cox, Nicholas; Coote, Michelle L.; Colebatch, Annie L.","A one-pot reduction route to bimetallic manganese 1,8-naphthyridine complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1284","1294","10.1039/d3dt03709f","","x-ray","1.54184","CuKα","","0.037","0.0322","","","0.0853","0.0887","","","","","","1.058","","","","has coordinates","289558","2024-02-04","12:14:51",""
"7714690","9.8958","0.0001","17.7779","0.0001","25.6158","0.0002","90","","91.117","0.001","90","","4505.64","0.06","150.15","","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H36 Cl8 Mn2 N8 -","- C42 H36 Cl8 Mn2 N8 -","- C168 H144 Cl32 Mn8 N32 -","4","1","","Stevens, Michael A.; Lim, Li Feng; Pham, Le Nhan; Cox, Nicholas; Coote, Michelle L.; Colebatch, Annie L.","A one-pot reduction route to bimetallic manganese 1,8-naphthyridine complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1284","1294","10.1039/d3dt03709f","","x-ray","1.54184","CuKα","","0.0716","0.0682","","","0.1882","0.1919","","","","","","1.04","","","","has coordinates,has disorder","289558","2024-02-04","12:14:51",""
"7714691","8.7126","0.0003","8.7126","0.0003","8.7126","0.0003","90","","90","","90","","661.37","0.04","100","","100","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Sm2Mn0.74Ga5.1Ge0.9","","- Ga5.1 Ge0.9 Mn0.736 Sm2 -","- Ga5.1 Ge0.9 Mn0.736 Sm2 -","- Ga20.4 Ge3.6 Mn2.944 Sm8 -","4","0.0208333","","Kulchu, Aleksandr; Khalaniya, Roman A.; Mironov, Andrei V.; Bogach, Alexey V.; Aksenov, Sergey M.; Lyssenko, Konstantin A.; Shevelkov, Andrei V.","Interplay of two magnetic sublattices in related compounds Sm<sub>2</sub>Mn<sub>1-<i>x</i></sub>Ga<sub>6-<i>y</i></sub>Ge<sub><i>y</i></sub> (<i>x</i> = 0.1-0.3, <i>y</i> = 0.6-1.0) and Sm<sub>4</sub>MnGa<sub>12-<i>y</i></sub>Ge<sub><i>y</i></sub> (<i>y</i> = 3.0-3.5) with different ordering of empty and filled (Ga,Ge)<sub>6</sub> octahedra.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1506","1516","10.1039/d3dt03505k","","x-ray","0.71073","MoKα","","0.0309","0.0226","","","0.0245","0.0257","","","","1.13","1.13","1.07","","","","has coordinates","289492","2024-02-04","11:53:50",""
"7714692","8.6677","0.0001","8.6677","0.0001","8.6677","0.0001","90","","90","","90","","651.196","0.013","293","","293","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","Sm4MnGa8.6Ge3.4","","- Ga8.6 Ge3.4 Mn Sm4 -","- Ga8.6004 Ge3.3996 Mn Sm4 -","- Ga17.2008 Ge6.7992 Mn2 Sm8 -","2","0.0208333","","Kulchu, Aleksandr; Khalaniya, Roman A.; Mironov, Andrei V.; Bogach, Alexey V.; Aksenov, Sergey M.; Lyssenko, Konstantin A.; Shevelkov, Andrei V.","Interplay of two magnetic sublattices in related compounds Sm<sub>2</sub>Mn<sub>1-<i>x</i></sub>Ga<sub>6-<i>y</i></sub>Ge<sub><i>y</i></sub> (<i>x</i> = 0.1-0.3, <i>y</i> = 0.6-1.0) and Sm<sub>4</sub>MnGa<sub>12-<i>y</i></sub>Ge<sub><i>y</i></sub> (<i>y</i> = 3.0-3.5) with different ordering of empty and filled (Ga,Ge)<sub>6</sub> octahedra.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1506","1516","10.1039/d3dt03505k","","x-ray","0.71073","MoKα","","0.0266","0.0255","","","0.0292","0.0294","","","","1.1","1.1","1.08","","","","has coordinates","289492","2024-02-04","11:53:50",""
"7714693","8.7126","0.0003","8.7126","0.0003","8.7126","0.0003","90","","90","","90","","661.37","0.04","100","","100","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Sm2Mn0.74Ga5.1Ge0.9","","- Ga5.1 Ge0.9 Mn0.742 Sm2 -","- Ga5.1 Ge0.9 Mn0.742 Sm2 -","- Ga20.4 Ge3.6 Mn2.968 Sm8 -","4","0.0208333","","Kulchu, Aleksandr; Khalaniya, Roman A.; Mironov, Andrei V.; Bogach, Alexey V.; Aksenov, Sergey M.; Lyssenko, Konstantin A.; Shevelkov, Andrei V.","Interplay of two magnetic sublattices in related compounds Sm<sub>2</sub>Mn<sub>1-<i>x</i></sub>Ga<sub>6-<i>y</i></sub>Ge<sub><i>y</i></sub> (<i>x</i> = 0.1-0.3, <i>y</i> = 0.6-1.0) and Sm<sub>4</sub>MnGa<sub>12-<i>y</i></sub>Ge<sub><i>y</i></sub> (<i>y</i> = 3.0-3.5) with different ordering of empty and filled (Ga,Ge)<sub>6</sub> octahedra.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1506","1516","10.1039/d3dt03505k","","x-ray","0.71073","MoKα","","0.0296","0.0215","","","0.0235","0.0248","","","","1.09","1.09","1.04","","","","has coordinates","289492","2024-02-04","11:53:51",""
"7714694","8.6283","0.0008","8.6283","0.0008","8.6283","0.0008","90","","90","","90","","642.36","0.1","100","","100","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","Sm4MnGa8.6Ge3.4","","- Ga8.6 Ge3.4 Mn Sm4 -","- Ga8.6004 Ge3.3996 Mn Sm4 -","- Ga17.2008 Ge6.7992 Mn2 Sm8 -","2","0.0208333","","Kulchu, Aleksandr; Khalaniya, Roman A.; Mironov, Andrei V.; Bogach, Alexey V.; Aksenov, Sergey M.; Lyssenko, Konstantin A.; Shevelkov, Andrei V.","Interplay of two magnetic sublattices in related compounds Sm<sub>2</sub>Mn<sub>1-<i>x</i></sub>Ga<sub>6-<i>y</i></sub>Ge<sub><i>y</i></sub> (<i>x</i> = 0.1-0.3, <i>y</i> = 0.6-1.0) and Sm<sub>4</sub>MnGa<sub>12-<i>y</i></sub>Ge<sub><i>y</i></sub> (<i>y</i> = 3.0-3.5) with different ordering of empty and filled (Ga,Ge)<sub>6</sub> octahedra.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1506","1516","10.1039/d3dt03505k","","x-ray","0.71073","MoKα","","0.036","0.0281","","","0.0302","0.0328","","","","1.03","1.03","1","","","","has coordinates","289492","2024-02-04","11:53:59",""
"7714695","10.5123","0.0003","10.6991","0.0003","22.8903","0.0007","90","","99.837","0.003","90","","2536.67","0.13","123","2","123.15","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Galvinoxyl","","- C29 H41 O2 -","- C29 H41 O2 -","- C116 H164 O8 -","4","0.5","","Suizu, Rie; Shuku, Yoshiaki; Robert, Vincent; Roseiro, Pablo; Ben Amor, Nadia; Khawar, Zain; Robertson, Neil; Awaga, Kunio","X-ray crystallographic analysis of the antiferromagnetic low-temperature phase of galvinoxyl: investigating magnetic duality in organic radicals.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","1961","1965","10.1039/d3dt03601d","","x-ray","0.71073","MoKα","","0.0516","0.0463","","","0.1289","0.1333","","","","","","1.058","","","","has coordinates","289477","2024-02-04","11:48:30",""
"7714696","10.309","0.0015","12.8561","0.0013","20.165","0.002","77.953","0.009","81.876","0.011","74.138","0.011","2504.1","0.5","50.15","","50.15","","","","","","","","","3","P -1","-P 1","2","","Galvinoxyl","","- C29 H41 O2 -","- C29 H41 O2 -","- C116 H164 O8 -","4","2","","Suizu, Rie; Shuku, Yoshiaki; Robert, Vincent; Roseiro, Pablo; Ben Amor, Nadia; Khawar, Zain; Robertson, Neil; Awaga, Kunio","X-ray crystallographic analysis of the antiferromagnetic low-temperature phase of galvinoxyl: investigating magnetic duality in organic radicals.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","1961","1965","10.1039/d3dt03601d","","x-ray","0.71073","MoKα","","0.2111","0.116","","","0.2909","0.3362","","","","","","0.93","","","","has coordinates","289477","2024-02-04","11:48:31",""
"7714697","10.0882","0.0002","14.8564","0.0002","20.7254","0.0003","90","","95.443","0.001","90","","3092.2","0.09","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","n/a","n/a","","- C18 H40 Gd N11 O14 -","- C18 H40 Gd N11 O14 -","- C72 H160 Gd4 N44 O56 -","4","1","","Travagin, Fabio; Macchia, Maria Ludovica; Grell, Toni; Bodnár, Judit; Baranyai, Zsolt; Artizzu, Flavia; Botta, Mauro; Giovenzana, Giovanni B.","EHDTA: a green approach to efficient Ln<sup>3+</sup>-chelators.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1779","1793","10.1039/d3dt03292b","","","0.71073","MoKα","","0.0334","0.0298","","","0.0648","0.0666","","","","","","1.074","","","","has coordinates","289498","2024-02-04","11:55:42",""
"7714698","10.5645","0.0017","23.139","0.004","12.261","0.002","90","","101.419","0.003","90","","2937.9","0.8","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Ag6 Mo12 N20 O40 Si -","- C24 H16 Ag6 Mo12 N20 O40 Si -","- C48 H32 Ag12 Mo24 N40 O80 Si2 -","2","0.5","","Hou, Yujiao; Han, Peilin; Li, Hao; Zhang, Shixing; Qin, Mengge; Zhang, Nan; Fu, Bingbing; Mao, Ruitao; Ge, Suxiang","Bifunctional 3D POM-based coordination polymers for improved pseudocapacitance and catalytic oxidation performance.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1541","1550","10.1039/d3dt03650b","","","0.71073","MoKα","","0.0824","0.0491","","","0.0913","0.1027","","","","","","1.028","","","","has coordinates,has disorder","289513","2024-02-04","11:59:49",""
"7714699","22.67","0.003","13.9099","0.0019","20.391","0.003","90","","98.872","0.002","90","","6353.1","1.5","296","2","296","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C48 H60 Cu6 Mo24 N40 O91 Si2 -","- C48 H60 Cu6 Mo24 N40 O91 Si2 -","- C96 H120 Cu12 Mo48 N80 O182 Si4 -","2","0.5","","Hou, Yujiao; Han, Peilin; Li, Hao; Zhang, Shixing; Qin, Mengge; Zhang, Nan; Fu, Bingbing; Mao, Ruitao; Ge, Suxiang","Bifunctional 3D POM-based coordination polymers for improved pseudocapacitance and catalytic oxidation performance.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1541","1550","10.1039/d3dt03650b","","x-ray","0.71073","MoKα","","0.1415","0.0838","","","0.19","0.2257","","","","","","1.03","","","","has coordinates","289513","2024-02-04","11:59:49",""
"7714700","12.1212","0.0008","12.3376","0.0008","13.905","0.0009","99.5642","0.0009","98.4242","0.0009","113.421","0.0008","1829","0.2","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C36 H28 Cu6 Mo12 N30 O42 Si -","- C36 H28 Cu6 Mo12 N30 O42 Si -","- C36 H28 Cu6 Mo12 N30 O42 Si -","1","1","","Hou, Yujiao; Han, Peilin; Li, Hao; Zhang, Shixing; Qin, Mengge; Zhang, Nan; Fu, Bingbing; Mao, Ruitao; Ge, Suxiang","Bifunctional 3D POM-based coordination polymers for improved pseudocapacitance and catalytic oxidation performance.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1541","1550","10.1039/d3dt03650b","","x-ray","0.71073","MoKα","","0.0347","0.0327","","","0.0818","0.0834","","","","","","1.034","","","","has coordinates","289513","2024-02-04","11:59:49",""
"7714701","11.2514","0.0008","15.9569","0.0012","22.9243","0.0018","90","","103.348","0.002","90","","4004.6","0.5","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 Cl2 Fe Ni O2 P2 S2 -","- C44 H40 Cl2 Fe Ni O2 P2 S2 -","- C176 H160 Cl8 Fe4 Ni4 O8 P8 S8 -","4","1","","Mishra, Anjali; Mishra, Gaurav Kumar; Anamika, ?; Singh, Nanhai; Kant, Rama; Kumar, Kamlesh","The rigidity and chelation effect of ligands on the hydrogen evolution reaction catalyzed by Ni(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1680","1690","10.1039/d3dt03932c","","","0.71073","MoKα","","0.0444","0.0357","","","0.0652","0.0696","","","","","","1.115","","","","has coordinates","289508","2024-02-04","11:58:29",""
"7714702","15.0348","0.00019","20.2696","0.0002","14.7659","0.0002","90","","116.798","0.0017","90","","4016.63","0.1","100","1","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H60 I2 Mg N10 O5 -","- C30 H60 I2 Mg N10 O5 -","- C120 H240 I8 Mg4 N40 O20 -","4","1","","Lundberg, Daniel; Lindqvist-Reis, Patric; Łyczko, Krzysztof; Eriksson, Lars; Persson, Ingmar","Coordination chemistry effects of the space-demanding solvent molecule <i>N</i>,<i>N</i>'-dimethylpropyleneurea.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1817","1832","10.1039/d3dt03193d","","","1.54184","CuKα","","0.0244","0.0224","","","0.0556","0.0566","","","","","","1.038","","","","has coordinates","289510","2024-02-04","11:58:49",""
"7714703","11.6236","0.0018","11.6236","0.0018","12.2134","0.0012","90","","90","","120","","1429.1","0.3","100","2","100","2","","","","","","","","6","P -3","-P 3","147","","","","- C36 H72 I7 N12 O6 Pr -","- C36 H72 I7 N12 O6 Pr -","- C36 H72 I7 N12 O6 Pr -","1","0.166667","","Lundberg, Daniel; Lindqvist-Reis, Patric; Łyczko, Krzysztof; Eriksson, Lars; Persson, Ingmar","Coordination chemistry effects of the space-demanding solvent molecule <i>N</i>,<i>N</i>'-dimethylpropyleneurea.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1817","1832","10.1039/d3dt03193d","","","0.71073","MoKα","","0.0513","0.0241","","","0.0398","0.0412","","","","","","0.703","","","","has coordinates","289510","2024-02-04","11:58:56",""
"7714704","12.9549","0.0018","12.9549","0.0018","8.5602","0.0012","90","","90","","120","","1244.2","0.3","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C36 H72 Ca I2 N12 O6 -","- C36 H72 Ca I2 N12 O6 -","- C36 H72 Ca I2 N12 O6 -","1","0.166667","","Lundberg, Daniel; Lindqvist-Reis, Patric; Łyczko, Krzysztof; Eriksson, Lars; Persson, Ingmar","Coordination chemistry effects of the space-demanding solvent molecule <i>N</i>,<i>N</i>'-dimethylpropyleneurea.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1817","1832","10.1039/d3dt03193d","","","0.71073","MoKα","","0.0547","0.0494","","","0.1299","0.1338","","","","","","1.081","","","","has coordinates","289510","2024-02-04","11:58:56",""
"7714705","13.532","0.002","13.532","0.002","8.7287","0.0014","90","0.003","90","0.003","120","0.003","1384.2","0.4","293","2","293","2","","","","","","","","7","P -3","-P 3","147","","","","- C38 H72 Ca F6 N12 O12 S2 -","- C38 H72 Ca F6 N12 O12 S2 -","- C38 H72 Ca F6 N12 O12 S2 -","1","0.166667","","Lundberg, Daniel; Lindqvist-Reis, Patric; Łyczko, Krzysztof; Eriksson, Lars; Persson, Ingmar","Coordination chemistry effects of the space-demanding solvent molecule <i>N</i>,<i>N</i>'-dimethylpropyleneurea.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1817","1832","10.1039/d3dt03193d","","","0.71073","MoKα","","0.237","0.1299","","","0.3313","0.3683","","","","","","1.463","","","","has coordinates","289510","2024-02-04","11:58:56",""
"7714706","13.083","0.003","13.083","0.003","8.553","0.003","90","","90","","120","","1267.8","0.6","295","2","295","2","","","","","","","","6","P -3","-P 3","147","","Hexakis(dimethylpropyleneurea)calcium(II)perchlorate","","- C36 H72 Ca Cl2 N12 O14 -","- C36 H72 Ca Cl2 N12 O14 -","- C36 H72 Ca Cl2 N12 O14 -","1","0.166667","","Lundberg, Daniel; Lindqvist-Reis, Patric; Łyczko, Krzysztof; Eriksson, Lars; Persson, Ingmar","Coordination chemistry effects of the space-demanding solvent molecule <i>N</i>,<i>N</i>'-dimethylpropyleneurea.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1817","1832","10.1039/d3dt03193d","","","0.71073","MoKα","","0.0654","0.045","","","0.1269","0.1348","","","","","","0.916","","","","has coordinates","289510","2024-02-04","11:58:56",""
"7714707","13.9909","0.0003","13.9909","0.0003","8.439","0.0003","90","","90","","120","","1430.58","0.07","293","2","293","2","","","","","","","","7","P -3","-P 3","147","","","","- C46 H72 Ba F6 N12 O12 S2 -","- C37.9998 H72 Ba F6 N12 O12 S1.9998 -","- C37.9998 H72 Ba F6 N12 O12 S1.9998 -","1","0.166667","","Lundberg, Daniel; Lindqvist-Reis, Patric; Łyczko, Krzysztof; Eriksson, Lars; Persson, Ingmar","Coordination chemistry effects of the space-demanding solvent molecule <i>N</i>,<i>N</i>'-dimethylpropyleneurea.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1817","1832","10.1039/d3dt03193d","","","0.71073","MoKα","","0.0537","0.0534","","","0.1424","0.1429","","","","","","1.206","","","","has coordinates,has disorder","289510","2024-02-04","11:58:56",""
"7714708","11.9413","0.001","12.0708","0.001","17.9935","0.0016","90","","91.59","0.002","90","","2592.6","0.4","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H72 I3 N12 O6 Sc -","- C36 H72 I3 N12 O6 Sc -","- C72 H144 I6 N24 O12 Sc2 -","2","0.5","","Lundberg, Daniel; Lindqvist-Reis, Patric; Łyczko, Krzysztof; Eriksson, Lars; Persson, Ingmar","Coordination chemistry effects of the space-demanding solvent molecule <i>N</i>,<i>N</i>'-dimethylpropyleneurea.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1817","1832","10.1039/d3dt03193d","","","0.71073","MoKα","","0.0585","0.0337","","","0.088","0.0925","","","","","","0.902","","","","has coordinates","289510","2024-02-04","11:58:56",""
"7714709","13.7677","0.0007","13.7677","0.0007","8.5413","0.0005","90","","90","","120","","1402.09","0.13","293","2","293","2","","","","","","","","7","P -3","-P 3","147","","","","- C19 H36 F3 N6 O6 S Sr0.5 -","- C19 H36 F3 N6 O6 S Sr0.5 -","- C38 H72 F6 N12 O12 S2 Sr -","2","0.333333","","Lundberg, Daniel; Lindqvist-Reis, Patric; Łyczko, Krzysztof; Eriksson, Lars; Persson, Ingmar","Coordination chemistry effects of the space-demanding solvent molecule <i>N</i>,<i>N</i>'-dimethylpropyleneurea.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1817","1832","10.1039/d3dt03193d","","","0.71073","MoKα","","0.115","0.1017","","","0.262","0.2769","","","","","","0.928","","","","has coordinates","289510","2024-02-04","11:58:56",""
"7714710","8.0226","0.0015","8.466","0.0016","26.796","0.005","90","","92.364","0.002","90","","1818.4","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 Br2 Co N4 O2 -","- C12 H24 Br2 Co N4 O2 -","- C48 H96 Br8 Co4 N16 O8 -","4","1","","Lundberg, Daniel; Lindqvist-Reis, Patric; Łyczko, Krzysztof; Eriksson, Lars; Persson, Ingmar","Coordination chemistry effects of the space-demanding solvent molecule <i>N</i>,<i>N</i>'-dimethylpropyleneurea.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1817","1832","10.1039/d3dt03193d","","","0.71073","MoKα","","0.045","0.0311","","","0.0696","0.0739","","","","","","1.042","","","","has coordinates,has disorder","289510","2024-02-04","11:58:56",""
"7714711","11.6393","0.0003","13.6352","0.0003","18.84","0.0005","70.244","0.001","78.398","0.001","89.769","0.002","2749.86","0.12","99.99","","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H82 Cl2 N10 O8 S2 -","- C46 H82 Cl2 N10 O8 S2 -","- C92 H164 Cl4 N20 O16 S4 -","2","1","","Muneeswaran, Zilma Pereira; Teoman, Baran; Wang, Yu; Chaudhry, Haroon; Brinzari, Tatiana V.; Verma, Gaurav; Ranasinghe, Lomaani; Kaler, Kylie Ryan; Huang, Xiaoyi; He, Xing; Thomas, Belvin; Xu, Shiyou; Cheng, Chi-Yuan; Boyd, Jeffrey M.; Chen, Dailin; Hao, Zhigang; Ma, Shengqian; Asefa, Tewodros; Pan, Long; Dubovoy, Viktor","Novel anionic surfactant-modified chlorhexidine and its potent antimicrobial properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2670","2677","10.1039/d3dt02559d","","","1.54178","CuKα","","0.1035","0.074","","","0.1713","0.1805","","","","","","1.135","","","","has coordinates,has disorder","290172","2024-03-04","20:16:07",""
"7714712","31.141","0.001","15.7359","0.0005","19.1556","0.0005","90","","90","","90","","9386.9","0.5","150","0.1","150","0.1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C45 H41.5 Cl N6 O5 P2 Ru -","- C45 H41 Cl N6 O5 P2 Ru -","- C360 H328 Cl8 N48 O40 P16 Ru8 -","8","2","","Seikh, Liton; Dhara, Suman; Singh, Ajit Kumar; Singh, Aditi; Dey, Sanchaita; Indra, Arindam; Lahiri, Goutam Kumar","The isomer-sensitive electrochemical HER of ruthenium(II)-hydrido complexes involving redox-active azoheteroaromatics.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1746","1756","10.1039/d3dt02925e","","x-ray","0.71073","MoKα","","0.1382","0.0657","","","0.1453","0.1783","","","","","","0.997","","","","has coordinates","289495","2024-02-04","11:54:50",""
"7714713","17.0163","0.0005","16.9641","0.0004","17.1008","0.0005","90","","111.826","0.003","90","","4582.6","0.2","150.15","","150.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C45 H38.83 Cl I2 N6 O5 P2 Ru -","- C45 H38.828 Cl I2 N6 O5 P2 Ru -","- C180 H155.312 Cl4 I8 N24 O20 P8 Ru4 -","4","1","","Seikh, Liton; Dhara, Suman; Singh, Ajit Kumar; Singh, Aditi; Dey, Sanchaita; Indra, Arindam; Lahiri, Goutam Kumar","The isomer-sensitive electrochemical HER of ruthenium(II)-hydrido complexes involving redox-active azoheteroaromatics.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1746","1756","10.1039/d3dt02925e","","","0.71073","MoKα","","0.0502","0.049","","","0.1125","0.1131","","","","","","1.166","","","","has coordinates,has disorder","289495","2024-02-04","11:54:51",""
"7714714","11.7897","0.0002","12.8924","0.0003","15.6424","0.0002","92.211","0.001","100.275","0.001","114.235","0.002","2116.67","0.08","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C45 H41 Cl N6 O5 P2 Ru -","- C45 H41 Cl N6 O5 P2 Ru -","- C90 H82 Cl2 N12 O10 P4 Ru2 -","2","1","","Seikh, Liton; Dhara, Suman; Singh, Ajit Kumar; Singh, Aditi; Dey, Sanchaita; Indra, Arindam; Lahiri, Goutam Kumar","The isomer-sensitive electrochemical HER of ruthenium(II)-hydrido complexes involving redox-active azoheteroaromatics.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1746","1756","10.1039/d3dt02925e","","x-ray","0.71073","MoKα","","0.0714","0.0579","","","0.1501","0.1612","","","","","","1.035","","","","has coordinates","289495","2024-02-04","11:54:51",""
"7714715","11.9419","0.0001","20.4204","0.0002","18.6846","0.0001","90","","93.633","0.001","90","","4547.24","0.06","104","0.1","104","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C45 H39 Cl I2 N6 O5 P2 Ru -","- C45 H39 Cl I2 N6 O5 P2 Ru -","- C180 H156 Cl4 I8 N24 O20 P8 Ru4 -","4","1","","Seikh, Liton; Dhara, Suman; Singh, Ajit Kumar; Singh, Aditi; Dey, Sanchaita; Indra, Arindam; Lahiri, Goutam Kumar","The isomer-sensitive electrochemical HER of ruthenium(II)-hydrido complexes involving redox-active azoheteroaromatics.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1746","1756","10.1039/d3dt02925e","","x-ray","0.71073","MoKα","","0.0379","0.0369","","","0.092","0.0927","","","","","","1.042","","","","has coordinates","289495","2024-02-04","11:54:51",""
"7714716","7.0811","0.0014","8.2881","0.0017","13.311","0.003","76.85","0.03","76.24","0.03","84.19","0.03","738","0.3","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 Cd Cl3 N6 -","- C10 H13 Cd Cl3 N6 -","- C20 H26 Cd2 Cl6 N12 -","2","1","","Hajibabaei, Farshid; Movafagh, Samaneh Sanei; Salehzadeh, Sadegh; Gable, Robert William","Complexation of drug amifampridine with Cu(II), Zn(II) and Cd(II) ions, and its dimerization with the magic of Mn(II) salts. Potential anti-COVID-19 and anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1066","1086","10.1039/d3dt03281g","","","0.71076","Synchrotron","","0.059","0.0537","","","0.1453","0.1543","","","","","","1.115","","","","has coordinates,has disorder","289539","2024-02-04","12:05:08",""
"7714717","12.2957","0.0001","7.9263","0.0001","11.7461","0.0001","90","","100.078","0.001","90","","1127.1","0.02","100","0.4","100","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 Cl N6 -","- C10 H13 Cl N6 -","- C40 H52 Cl4 N24 -","4","1","","Hajibabaei, Farshid; Movafagh, Samaneh Sanei; Salehzadeh, Sadegh; Gable, Robert William","Complexation of drug amifampridine with Cu(II), Zn(II) and Cd(II) ions, and its dimerization with the magic of Mn(II) salts. Potential anti-COVID-19 and anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1066","1086","10.1039/d3dt03281g","","x-ray","1.54184","CuKα","","0.0308","0.0299","","","0.0792","0.0801","","","","","","1.081","","","","has coordinates","289539","2024-02-04","12:05:09",""
"7714718","7.5911","0.0015","8.0921","0.0016","11.88","0.002","77.36","0.03","80.01","0.03","86.56","0.03","701.1","0.3","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H14 Cl2 N6 Zn -","- C10 H14 Cl2 N6 Zn -","- C20 H28 Cl4 N12 Zn2 -","2","1","","Hajibabaei, Farshid; Movafagh, Samaneh Sanei; Salehzadeh, Sadegh; Gable, Robert William","Complexation of drug amifampridine with Cu(II), Zn(II) and Cd(II) ions, and its dimerization with the magic of Mn(II) salts. Potential anti-COVID-19 and anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1066","1086","10.1039/d3dt03281g","","","0.71092","Synchrotron","","0.0426","0.0391","","","0.1091","0.1118","","","","","","1.087","","","","has coordinates","289539","2024-02-04","12:05:09",""
"7714719","11.0259","0.0007","9.9993","0.0006","12.2385","0.0009","90","","104.108","0.008","90","","1308.61","0.16","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 Cl N6 O4 -","- C10 H13 Cl N6 O4 -","- C40 H52 Cl4 N24 O16 -","4","1","","Hajibabaei, Farshid; Movafagh, Samaneh Sanei; Salehzadeh, Sadegh; Gable, Robert William","Complexation of drug amifampridine with Cu(II), Zn(II) and Cd(II) ions, and its dimerization with the magic of Mn(II) salts. Potential anti-COVID-19 and anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1066","1086","10.1039/d3dt03281g","","x-ray","0.71073","MoKα","","0.0799","0.0564","","","0.1488","0.1672","","","","","","1.118","","","","has coordinates","289539","2024-02-04","12:05:09",""
"7714720","11.921","0.002","9.2907","0.0019","11.581","0.002","90","","109.42","0.03","90","","1209.7","0.4","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 N7 O3 -","- C10 H13 N7 O3 -","- C40 H52 N28 O12 -","4","1","","Hajibabaei, Farshid; Movafagh, Samaneh Sanei; Salehzadeh, Sadegh; Gable, Robert William","Complexation of drug amifampridine with Cu(II), Zn(II) and Cd(II) ions, and its dimerization with the magic of Mn(II) salts. Potential anti-COVID-19 and anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1066","1086","10.1039/d3dt03281g","","","0.82657","Synchrotron","","0.1044","0.0793","","","0.2294","0.256","","","","","","1.053","","","","has coordinates,has disorder","289539","2024-02-04","12:05:09",""
"7714721","7.833","0.0016","34.174","0.007","14.661","0.003","90","","92.61","0.03","90","","3920.5","1.4","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H25 Cl2 Cu N7 O8 -","- C11 H25 Cl2 Cu N7 O8 -","- C88 H200 Cl16 Cu8 N56 O64 -","8","2","","Hajibabaei, Farshid; Movafagh, Samaneh Sanei; Salehzadeh, Sadegh; Gable, Robert William","Complexation of drug amifampridine with Cu(II), Zn(II) and Cd(II) ions, and its dimerization with the magic of Mn(II) salts. Potential anti-COVID-19 and anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1066","1086","10.1039/d3dt03281g","","","0.71076","Synchrotron","","0.0534","0.0498","","","0.151","0.1549","","","","","","1.047","","","","has coordinates,has disorder","289539","2024-02-04","12:05:09",""
"7714722","7.91","0.0016","34.61","0.007","14.77","0.003","90","","94.42","0.03","90","","4031.5","1.4","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H25 Cd Cl2 N7 O8 -","- C11.0005 H25.0013 Cd1.00005 Cl2 N7.00035 O8 -","- C88.0044 H200.01 Cd8.0004 Cl16 N56.0028 O64 -","8","2","","Hajibabaei, Farshid; Movafagh, Samaneh Sanei; Salehzadeh, Sadegh; Gable, Robert William","Complexation of drug amifampridine with Cu(II), Zn(II) and Cd(II) ions, and its dimerization with the magic of Mn(II) salts. Potential anti-COVID-19 and anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1066","1086","10.1039/d3dt03281g","","","0.71076","Synchrotron","","0.0476","0.0402","","","0.1009","0.1074","","","","","","1.041","","","","has coordinates,has disorder","289539","2024-02-04","12:05:09",""
"7714723","8.7062","0.0003","9.9946","0.0003","21.89","0.0007","90","","93.133","0.001","90","","1901.91","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Ba Co0.5 Fe O8 P2 -","- Ba Co0.5 Fe O8 P2 -","- Ba12 Co6 Fe12 O96 P24 -","12","3","","Alloun, Fouad; Hadouchi, Mohammed; El Arni, Sirine; Assani, Abderrazzak; Saadi, Mohamed; El Marssi, Mimoun; Lahmar, Abdelilah; El Ammari, Lahcen","A novel phosphate with Co<sup>II</sup> square planar coordination, BaCo<sub>0.5</sub>Fe(PO<sub>4</sub>)<sub>2</sub>: structural and magnetic features.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1630","1639","10.1039/d3dt03539e","","","0.71073","MoKα","","0.0326","0.0222","","","0.0476","0.0501","","","","","","1.017","","","","has coordinates","289491","2024-02-04","11:53:22",""
"7714724","12.2537","0.0018","13.3656","0.0019","16.799","0.002","72.447","0.009","88.822","0.01","81.02","0.01","2590","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","Samarium-fod-terpyridine complex","[Sm(fod)3(terpy)]","","- C45 H41 F21 N3 O6 Sm -","- C45 H41 F21 N3 O6 Sm -","- C90 H82 F42 N6 O12 Sm2 -","2","1","","Ali, Asgar; Ahmed, Zubair; Iftikhar, Khalid; Uddin, Rahis","Heteroleptic samarium complexes with high quantum yields for temperature sensing applications.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1105","1120","10.1039/d3dt03160h","","","1.54178","CuKα","","0.1072","0.0785","","","0.202","0.2367","","","","","","1.028","","","","has coordinates,has disorder","289551","2024-02-04","12:11:26",""
"7714725","13.0615","0.0003","23.2309","0.0004","37.7006","0.0006","90","","93.68","0.002","90","","11415.9","0.4","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Samarium-fod-bathophenanthroline","[Sm(fod)3(bath)]","","- C54 H46 F21 N2 O6 Sm -","- C54 H46 F21 N2 O6 Sm -","- C432 H368 F168 N16 O48 Sm8 -","8","2","","Ali, Asgar; Ahmed, Zubair; Iftikhar, Khalid; Uddin, Rahis","Heteroleptic samarium complexes with high quantum yields for temperature sensing applications.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1105","1120","10.1039/d3dt03160h","","","0.71073","MoKα","","0.0729","0.0517","","","0.1169","0.133","","","","","","1.039","","","","has coordinates,has disorder","289551","2024-02-04","12:11:31",""
"7714726","10.0587","0.0006","11.4836","0.0006","15.7711","0.0008","90","","90","","90","","1821.72","0.17","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N2 Ni O2 -","- C20 H22 N2 Ni O2 -","- C80 H88 N8 Ni4 O8 -","4","1","","Sanz-Garrido, Jorge; Martin, Avelino; González-Arellano, Camino; Flores, Juan C.","Half-sandwich Ni(II) complexes bearing enantiopure bidentate NHC-carboxylate ligands: efficient catalysts for the hydrosilylative reduction of acetophenones.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1460","1468","10.1039/d3dt03739h","","","0.71073","MoKα","","0.031","0.0294","","","0.0713","0.072","","","","","","1.085","","","","has coordinates","289500","2024-02-04","11:56:19",""
"7714727","9.0157","0.0003","14.8412","0.0005","15.2205","0.0005","90","","90","","90","","2036.56","0.12","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N2 Ni O2 -","- C22 H26 N2 Ni O2 -","- C88 H104 N8 Ni4 O8 -","4","1","","Sanz-Garrido, Jorge; Martin, Avelino; González-Arellano, Camino; Flores, Juan C.","Half-sandwich Ni(II) complexes bearing enantiopure bidentate NHC-carboxylate ligands: efficient catalysts for the hydrosilylative reduction of acetophenones.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1460","1468","10.1039/d3dt03739h","","","0.71073","MoKα","","0.0384","0.0319","","","0.0672","0.0697","","","","","","1.03","","","","has coordinates","289500","2024-02-04","11:56:19",""
"7714728","9.1875","0.0007","13.4808","0.001","17.0727","0.0015","90","","90","","90","","2114.5","0.3","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 N2 Ni O2 -","- C23 H28 N2 Ni O2 -","- C92 H112 N8 Ni4 O8 -","4","1","","Sanz-Garrido, Jorge; Martin, Avelino; González-Arellano, Camino; Flores, Juan C.","Half-sandwich Ni(II) complexes bearing enantiopure bidentate NHC-carboxylate ligands: efficient catalysts for the hydrosilylative reduction of acetophenones.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1460","1468","10.1039/d3dt03739h","","","0.71073","MoKα","","0.0582","0.0424","","","0.0747","0.0792","","","","","","1.057","","","","has coordinates","289500","2024-02-04","11:56:19",""
"7714729","9.5852","0.0003","15.2321","0.0006","15.8061","0.0005","90","","90","","90","","2307.73","0.14","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 N2 Ni O2 -","- C26 H26 N2 Ni O2 -","- C104 H104 N8 Ni4 O8 -","4","1","","Sanz-Garrido, Jorge; Martin, Avelino; González-Arellano, Camino; Flores, Juan C.","Half-sandwich Ni(II) complexes bearing enantiopure bidentate NHC-carboxylate ligands: efficient catalysts for the hydrosilylative reduction of acetophenones.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1460","1468","10.1039/d3dt03739h","","","0.71073","MoKα","","0.0461","0.033","","","0.0687","0.0736","","","","","","1.028","","","","has coordinates","289500","2024-02-04","11:56:19",""
"7714730","9.4289","0.0005","13.1499","0.0006","17.094","0.0009","90","","90","","90","","2119.47","0.19","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 N2 Ni O2 -","- C23 H28 N2 Ni O2 -","- C92 H112 N8 Ni4 O8 -","4","1","","Sanz-Garrido, Jorge; Martin, Avelino; González-Arellano, Camino; Flores, Juan C.","Half-sandwich Ni(II) complexes bearing enantiopure bidentate NHC-carboxylate ligands: efficient catalysts for the hydrosilylative reduction of acetophenones.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1460","1468","10.1039/d3dt03739h","","","0.71073","MoKα","","0.0575","0.0424","","","0.0999","0.1097","","","","","","1.035","","","","has coordinates","289500","2024-02-04","11:56:19",""
"7714731","12.3904","0.001","11.4363","0.0009","16.0226","0.0011","90","","105.807","0.002","90","","2184.6","0.3","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N2 Ni O2 -","- C25 H24 N2 Ni O2 -","- C100 H96 N8 Ni4 O8 -","4","1","","Sanz-Garrido, Jorge; Martin, Avelino; González-Arellano, Camino; Flores, Juan C.","Half-sandwich Ni(II) complexes bearing enantiopure bidentate NHC-carboxylate ligands: efficient catalysts for the hydrosilylative reduction of acetophenones.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1460","1468","10.1039/d3dt03739h","","","0.71073","MoKα","","0.0941","0.0788","","","0.1667","0.1739","","","","","","1.198","","","","has coordinates,has disorder","289500","2024-02-04","11:56:19",""
"7714732","11.3923","0.0007","11.672","0.0006","15.6603","0.0007","90","","90.693","0.002","90","","2082.21","0.19","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N2 Ni O2 S -","- C21 H24 N2 Ni O2 S -","- C84 H96 N8 Ni4 O8 S4 -","4","1","","Sanz-Garrido, Jorge; Martin, Avelino; González-Arellano, Camino; Flores, Juan C.","Half-sandwich Ni(II) complexes bearing enantiopure bidentate NHC-carboxylate ligands: efficient catalysts for the hydrosilylative reduction of acetophenones.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1460","1468","10.1039/d3dt03739h","","","0.71073","MoKα","","0.071","0.0484","","","0.1037","0.1133","","","","","","1.064","","","","has coordinates","289500","2024-02-04","11:56:19",""
"7714733","7.9269","0.0004","10.0993","0.0005","11.2121","0.0005","71.267","0.002","81.256","0.002","77.531","0.002","826.67","0.07","200","","200","","","","","","","","","5","P 1","P 1","1","","","","- C36 H46 N4 Ni O4 -","- C36 H46 N4 Ni O4 -","- C36 H46 N4 Ni O4 -","1","1","","Sanz-Garrido, Jorge; Martin, Avelino; González-Arellano, Camino; Flores, Juan C.","Half-sandwich Ni(II) complexes bearing enantiopure bidentate NHC-carboxylate ligands: efficient catalysts for the hydrosilylative reduction of acetophenones.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1460","1468","10.1039/d3dt03739h","","","0.71073","MoKα","","0.0331","0.0297","","","0.0668","0.0683","","","","","","1.028","","","","has coordinates","289500","2024-02-04","11:56:19",""
"7714734","9.5632","0.0003","14.2948","0.0005","16.1641","0.0006","90","","90","","90","","2209.7","0.13","200","","200","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N2 Ni O2 S -","- C22 H26 N2 Ni O2 S -","- C88 H104 N8 Ni4 O8 S4 -","4","1","","Sanz-Garrido, Jorge; Martin, Avelino; González-Arellano, Camino; Flores, Juan C.","Half-sandwich Ni(II) complexes bearing enantiopure bidentate NHC-carboxylate ligands: efficient catalysts for the hydrosilylative reduction of acetophenones.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1460","1468","10.1039/d3dt03739h","","","0.71073","MoKα","","0.0481","0.0338","","","0.0753","0.0832","","","","","","1.046","","","","has coordinates","289500","2024-02-04","11:56:19",""
"7714735","10.7822","0.0004","17.9182","0.0005","11.2267","0.0004","90","","107.076","0.001","90","","2073.35","0.12","200","","200","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H44 Cl6 N4 Ni O4 -","- C36 H44 Cl6 N4 Ni O4 -","- C72 H88 Cl12 N8 Ni2 O8 -","2","1","","Sanz-Garrido, Jorge; Martin, Avelino; González-Arellano, Camino; Flores, Juan C.","Half-sandwich Ni(II) complexes bearing enantiopure bidentate NHC-carboxylate ligands: efficient catalysts for the hydrosilylative reduction of acetophenones.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1460","1468","10.1039/d3dt03739h","","","0.71073","MoKα","","0.0338","0.0307","","","0.0681","0.0697","","","","","","1.031","","","","has coordinates","289500","2024-02-04","11:56:19",""
"7714736","13.4002","0.0006","7.508","0.0003","17.3761","0.0007","90","","109.185","0.001","90","","1651.1","0.12","200","","200","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H46 N4 Ni O4 -","- C36 H46 N4 Ni O4 -","- C72 H92 N8 Ni2 O8 -","2","1","","Sanz-Garrido, Jorge; Martin, Avelino; González-Arellano, Camino; Flores, Juan C.","Half-sandwich Ni(II) complexes bearing enantiopure bidentate NHC-carboxylate ligands: efficient catalysts for the hydrosilylative reduction of acetophenones.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1460","1468","10.1039/d3dt03739h","","","0.71073","MoKα","","0.0273","0.0261","","","0.0698","0.0706","","","","","","1.043","","","","has coordinates","289500","2024-02-04","11:56:19",""
"7714737","20.8156","0.0007","11.5695","0.0004","6.0573","0.0002","90","","90","","90","","1458.76","0.09","130","2","130","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H14 As N O -","- C18 H14 As N O -","- C72 H56 As4 N4 O4 -","4","1","","Galimova, Milyausha F.; Zueva, Ekaterina M.; Petrova, Maria M.; Dobrynin, Alexey B.; Kolesnikov, Ilya E.; Musina, Elvira I.; Musin, Rustem R.; Karasik, Andrey A.; Sinyashin, Oleg G.","Design of luminescent complexes with different Cu<sub>4</sub>I<sub>4</sub> cores based on pyridyl phenoxarsines.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1087","1098","10.1039/d3dt03273f","","","0.71073","MoKα","","0.0612","0.0439","","","0.0958","0.1067","","","","","","1.029","","","","has coordinates","289559","2024-02-04","12:15:03",""
"7714738","12.74","0.003","12.961","0.003","14.868","0.003","117.28","0.03","110.95","0.03","90.7","0.03","1991.4","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Di-μ-iodo-di-μ4-iodo-bis-[μ-4-methyl-6-(10H-phenoxarsinin-10-yl)pyridine-As,N]-tetracopper (I)","","- C72 H56 As4 Cu8 I8 N4 O4 -","- C72 H56 As4 Cu8 I8 N4 O4 -","- C72 H56 As4 Cu8 I8 N4 O4 -","1","0.5","","Galimova, Milyausha F.; Zueva, Ekaterina M.; Petrova, Maria M.; Dobrynin, Alexey B.; Kolesnikov, Ilya E.; Musina, Elvira I.; Musin, Rustem R.; Karasik, Andrey A.; Sinyashin, Oleg G.","Design of luminescent complexes with different Cu<sub>4</sub>I<sub>4</sub> cores based on pyridyl phenoxarsines.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1087","1098","10.1039/d3dt03273f","","","0.71073","MoKα","","0.0547","0.0474","","","0.1105","0.1142","","","","","","1.076","","","","has coordinates,has disorder","289559","2024-02-04","12:15:04",""
"7714739","10.1142","0.0018","11.804","0.002","14.647","0.003","81.337","0.01","86.102","0.01","70.406","0.009","1628.3","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Tetra-μ-iodo-bis-[(η1-N)-2-(10H-phenoxarsinin-10-yl)pyridine]-bis-[μ-2-(10H-phenoxarsinin-10-yl)pyridine -As,N]-tetracopper (I)","","- C34 H24 As2 Cu2 I2 N2 O2 -","- C34 H24 As2 Cu2 I2 N2 O2 -","- C68 H48 As4 Cu4 I4 N4 O4 -","2","1","","Galimova, Milyausha F.; Zueva, Ekaterina M.; Petrova, Maria M.; Dobrynin, Alexey B.; Kolesnikov, Ilya E.; Musina, Elvira I.; Musin, Rustem R.; Karasik, Andrey A.; Sinyashin, Oleg G.","Design of luminescent complexes with different Cu<sub>4</sub>I<sub>4</sub> cores based on pyridyl phenoxarsines.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1087","1098","10.1039/d3dt03273f","","","0.71073","MoKα","","0.0878","0.0568","","","0.1605","0.219","","","","","","1.09","","","","has coordinates","289559","2024-02-04","12:15:04",""
"7714740","10.0169","0.0002","10.2066","0.0002","10.8297","0.0002","102.188","0.002","100.864","0.002","110.067","0.002","974.64","0.04","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H28 As2 Cu4 I4 N2 O2 -","- C36 H28 As2 Cu4 I4 N2 O2 -","- C36 H28 As2 Cu4 I4 N2 O2 -","1","0.5","","Galimova, Milyausha F.; Zueva, Ekaterina M.; Petrova, Maria M.; Dobrynin, Alexey B.; Kolesnikov, Ilya E.; Musina, Elvira I.; Musin, Rustem R.; Karasik, Andrey A.; Sinyashin, Oleg G.","Design of luminescent complexes with different Cu<sub>4</sub>I<sub>4</sub> cores based on pyridyl phenoxarsines.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1087","1098","10.1039/d3dt03273f","","","0.71073","MoKα","","0.0287","0.0249","","","0.057","0.0585","","","","","","1.05","","","","has coordinates","289559","2024-02-04","12:15:04",""
"7714741","10.0801","0.0017","10.3208","0.0018","10.9161","0.0019","103.093","0.007","100.312","0.007","109.725","0.006","1000","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H28 As2 Cu4 I4 N2 O2 -","- C36 H28 As2 Cu4 I4 N2 O2 -","- C36 H28 As2 Cu4 I4 N2 O2 -","1","0.5","","Galimova, Milyausha F.; Zueva, Ekaterina M.; Petrova, Maria M.; Dobrynin, Alexey B.; Kolesnikov, Ilya E.; Musina, Elvira I.; Musin, Rustem R.; Karasik, Andrey A.; Sinyashin, Oleg G.","Design of luminescent complexes with different Cu<sub>4</sub>I<sub>4</sub> cores based on pyridyl phenoxarsines.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1087","1098","10.1039/d3dt03273f","","","0.71073","MoKα","","0.0372","0.0314","","","0.1099","0.1144","","","","","","0.891","","","","has coordinates","289559","2024-02-04","12:15:04",""
"7714742","11.7742","0.0002","18.4805","0.0002","13.5881","0.0002","90","","90.27","0.001","90","","2956.64","0.07","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 As N O -","- C18 H14 As N O -","- C144 H112 As8 N8 O8 -","8","2","","Galimova, Milyausha F.; Zueva, Ekaterina M.; Petrova, Maria M.; Dobrynin, Alexey B.; Kolesnikov, Ilya E.; Musina, Elvira I.; Musin, Rustem R.; Karasik, Andrey A.; Sinyashin, Oleg G.","Design of luminescent complexes with different Cu<sub>4</sub>I<sub>4</sub> cores based on pyridyl phenoxarsines.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1087","1098","10.1039/d3dt03273f","","","0.71073","MoKα","","0.0507","0.0329","","","0.0734","0.0814","","","","","","1.056","","","","has coordinates","289559","2024-02-04","12:15:04",""
"7714743","13.8229","0.001","5.9104","0.0004","18.3375","0.0013","90","","98.575","0.003","90","","1481.41","0.18","106","2","106","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-methoxy-6-(10H-phenoxarsinin-10-yl)pyridine","","- C18 H14 As N O2 -","- C18 H14 As N O2 -","- C72 H56 As4 N4 O8 -","4","1","","Galimova, Milyausha F.; Zueva, Ekaterina M.; Petrova, Maria M.; Dobrynin, Alexey B.; Kolesnikov, Ilya E.; Musina, Elvira I.; Musin, Rustem R.; Karasik, Andrey A.; Sinyashin, Oleg G.","Design of luminescent complexes with different Cu<sub>4</sub>I<sub>4</sub> cores based on pyridyl phenoxarsines.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1087","1098","10.1039/d3dt03273f","","","0.71073","MoKα","","0.027","0.0264","","","0.0721","0.0726","","","","","","1.136","","","","has coordinates","289559","2024-02-04","12:15:04",""
"7714744","21.9973","0.0018","16.6381","0.0012","17.2785","0.0013","90","","109.356","0.003","90","","5966.4","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Tetra-μ3-iodo-tetrakis[(η1-As)-2-methoxy-6-(10H-phenoxarsinin-10-yl)pyridine]-tetracopper (I)","","- C56 H45 As3 Cu4 I4 N4 O6 -","- C56 H45 As3 Cu4 I4 N4 O6 -","- C224 H180 As12 Cu16 I16 N16 O24 -","4","1","","Galimova, Milyausha F.; Zueva, Ekaterina M.; Petrova, Maria M.; Dobrynin, Alexey B.; Kolesnikov, Ilya E.; Musina, Elvira I.; Musin, Rustem R.; Karasik, Andrey A.; Sinyashin, Oleg G.","Design of luminescent complexes with different Cu<sub>4</sub>I<sub>4</sub> cores based on pyridyl phenoxarsines.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1087","1098","10.1039/d3dt03273f","","","0.71073","MoKα","","0.0875","0.0793","","","0.2119","0.2153","","","","","","1.196","","","","has coordinates","289559","2024-02-04","12:15:04",""
"7714745","11.0072","0.0008","15.9706","0.0008","18.2207","0.0013","90","","90","","90","","3203","0.4","100","0.1","100","0.1","","","","","","","","5","P m m m","-P 2 2","47","","","","- C7.62 H4 N0.25 O Zn0.25 -","- C7.625 H4 N0.25 O Zn0.25 -","- C61 H32 N2 O8 Zn2 -","8","1","","Orihashi, Kana; Yamauchi, Akio; Inoue, Miku; Parmar, Bhavesh; Fujiwara, Saiya; Kimizuka, Nobuo; Asada, Mizue; Nakamura, Toshikazu; Yanai, Nobuhiro","Radical qubits photo-generated in acene-based metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","872","876","10.1039/d3dt03959e","","x-ray","1.54184","CuKα","","0.0918","0.0858","","","0.246","0.2548","","","","","","1.096","","","","has coordinates,has disorder","289561","2024-02-04","12:15:24",""
"7714746","18.5415","0.0005","18.8522","0.0003","23.5975","0.0005","101.451","0.002","110.314","0.002","90.019","0.002","7559.9","0.3","99.93","0.14","99.93","0.14","","","","","","","","5","P -1","-P 1","2","","DAT-MOF-3","","- C100 H59 N8 O24 Zn6 -","- C100 H59 N8 O24 Zn6 -","- C200 H118 N16 O48 Zn12 -","2","1","","Orihashi, Kana; Yamauchi, Akio; Inoue, Miku; Parmar, Bhavesh; Fujiwara, Saiya; Kimizuka, Nobuo; Asada, Mizue; Nakamura, Toshikazu; Yanai, Nobuhiro","Radical qubits photo-generated in acene-based metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","872","876","10.1039/d3dt03959e","","x-ray","1.54184","CuKα","","0.121","0.111","","","0.3064","0.3154","","","","","","0.964","","","","has coordinates","289561","2024-02-04","12:15:24",""
"7714747","23.0541","0.0003","23.0541","0.0003","23.7591","0.0004","90","","90","","120","","10936","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C65 H62 Ag3 F18 N19 P3 -","- C65 H62 Ag3 F18 N19 P3 -","- C390 H372 Ag18 F108 N114 P18 -","6","0.5","","Sahu, Priyanka; Jana, Narayan Ch; Barik, Sahadev; Kisan, Hemanta K.; Changotra, Avtar; Isab, Anvarhusein A.; Dinda, Joydev","Unexpected structural preference with metallophilic Ag-Au contacts in silver(I)-N-heterocyclic carbene cluster; experimental and theoretical approach.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1099","1104","10.1039/d3dt02551a","","x-ray","0.71073","MoKα","","0.0413","0.0324","","","0.076","0.0813","","","","","","1.023","","","","has coordinates","289553","2024-02-04","12:11:55",""
"7714748","14.2719","0.0004","24.7697","0.0006","14.7213","0.0004","90","","96.862","0.003","90","","5166.9","0.2","100","0.1","100","10","","","","","","","","9","I 1 2/m 1","-I 2y","12","","","","- C44.5 H45 Ag2 Au Cl F12 N13 O0.5 P2 -","- C44.5 H45 Ag2 Au Cl F12 N13 O0.5 P2 -","- C178 H180 Ag8 Au4 Cl4 F48 N52 O2 P8 -","4","0.5","","Sahu, Priyanka; Jana, Narayan Ch; Barik, Sahadev; Kisan, Hemanta K.; Changotra, Avtar; Isab, Anvarhusein A.; Dinda, Joydev","Unexpected structural preference with metallophilic Ag-Au contacts in silver(I)-N-heterocyclic carbene cluster; experimental and theoretical approach.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1099","1104","10.1039/d3dt02551a","","x-ray","0.71073","MoKα","","0.0529","0.0427","","","0.0927","0.0959","","","","","","1.05","","","","has coordinates","289553","2024-02-04","12:11:56",""
"7714749","9.7775","0.0001","5.8209","0.0001","8.0322","0.0001","90","","90.0106","","90","","457.143","0.011","296.36","0.13","296.36","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- Br Ce Mo O4 -","- Br Ce Mo O4 -","- Br4 Ce4 Mo4 O16 -","4","2","","Jiao, Zixian; Quah, Jasmine; Syed, Tajamul Hussain; Wei, Wei; Zhang, Bingbing; Wang, Fei; Wang, Jian","Synthesis, crystal and electronic structures, linear and nonlinear optical properties, and photocurrent response of oxyhalides CeHaVIO<sub>4</sub> (Ha = Cl, Br; VI = Mo, W).","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2029","2038","10.1039/d3dt03640e","","x-ray","0.71073","MoKα","","0.0159","0.0157","","","0.0193","0.0194","","","","1.32","1.32","1.32","","","","has coordinates","289472","2024-02-04","11:47:16",""
"7714750","9.5513","0.0001","5.793","","7.9495","0.0001","90","","90.014","0.0007","90","","439.851","0.007","296.97","0.13","296.97","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- Ce Cl Mo O4 -","- Ce Cl Mo O4 -","- Ce4 Cl4 Mo4 O16 -","4","2","","Jiao, Zixian; Quah, Jasmine; Syed, Tajamul Hussain; Wei, Wei; Zhang, Bingbing; Wang, Fei; Wang, Jian","Synthesis, crystal and electronic structures, linear and nonlinear optical properties, and photocurrent response of oxyhalides CeHaVIO<sub>4</sub> (Ha = Cl, Br; VI = Mo, W).","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2029","2038","10.1039/d3dt03640e","","x-ray","0.71073","MoKα","","0.0138","0.0136","","","0.0181","0.0182","","","","1.24","1.24","1.24","","","","has coordinates","289472","2024-02-04","11:47:24",""
"7714751","9.8783","0.0001","5.9223","0.0001","7.9394","0.0001","90","","90.0083","","90","","464.473","0.011","296.4","0.4","296.4","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- Br Ce O4 W -","- Br Ce O4 W -","- Br4 Ce4 O16 W4 -","4","2","","Jiao, Zixian; Quah, Jasmine; Syed, Tajamul Hussain; Wei, Wei; Zhang, Bingbing; Wang, Fei; Wang, Jian","Synthesis, crystal and electronic structures, linear and nonlinear optical properties, and photocurrent response of oxyhalides CeHaVIO<sub>4</sub> (Ha = Cl, Br; VI = Mo, W).","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2029","2038","10.1039/d3dt03640e","","x-ray","0.71073","MoKα","","0.0211","0.0208","","","0.0255","0.0256","","","","1.84","1.84","1.83","","","","has coordinates","289472","2024-02-04","11:47:24",""
"7714752","19.6059","0.0002","5.8945","0.0001","7.8009","0.0001","90","","101.475","0.0008","90","","883.51","0.02","297.6","0.7","297.6","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- Ce Cl O4 W -","- Ce Cl O4 W -","- Ce8 Cl8 O32 W8 -","8","4","","Jiao, Zixian; Quah, Jasmine; Syed, Tajamul Hussain; Wei, Wei; Zhang, Bingbing; Wang, Fei; Wang, Jian","Synthesis, crystal and electronic structures, linear and nonlinear optical properties, and photocurrent response of oxyhalides CeHaVIO<sub>4</sub> (Ha = Cl, Br; VI = Mo, W).","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2029","2038","10.1039/d3dt03640e","","x-ray","0.71073","MoKα","","0.0257","0.0229","","","0.0294","0.0298","","","","1.53","1.53","1.49","","","","has coordinates","289472","2024-02-04","11:47:24",""
"7714753","13.9153","0.0005","14.933","0.0004","25.6822","0.0008","89.6","0.002","80.169","0.002","88.144","0.002","5255.6","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C97.5 H58 Cl4 F6 Mn2 N22 O Sb -","- C97.5 H58 Cl4 F6 Mn2 N22 O Sb -","- C195 H116 Cl8 F12 Mn4 N44 O2 Sb2 -","2","1","","McKearney, Declan; MacDonald, Kyle; Kim, Min Suk; Williams, Vance E.; Leznoff, Daniel B.","Tuning the visible colour of octahedral manganese(III) phthalocyanines <i>via</i> axial ligand exchange.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","938","948","10.1039/d3dt03518b","","","1.54178","CuKα","","0.118","0.0986","","","0.2809","0.2989","","","","","","1.065","","","","has coordinates","289555","2024-02-04","12:12:21",""
"7714754","8.5811","0.0001","10.4045","0.0001","23.5751","0.0002","87.287","0.001","81.729","0.001","80.121","0.001","2051.5","0.04","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H39 F6 Mn N8 O3 Sb -","- C44 H39 F6 Mn N8 O3 Sb -","- C88 H78 F12 Mn2 N16 O6 Sb2 -","2","1","","McKearney, Declan; MacDonald, Kyle; Kim, Min Suk; Williams, Vance E.; Leznoff, Daniel B.","Tuning the visible colour of octahedral manganese(III) phthalocyanines <i>via</i> axial ligand exchange.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","938","948","10.1039/d3dt03518b","","","1.54178","CuKα","","0.0702","0.0633","","","0.1491","0.1538","","","","","","1.05","","","","has coordinates,has disorder","289555","2024-02-04","12:12:21",""
"7714755","8.7345","0.0002","9.3932","0.0002","15.3182","0.0002","85.452","0.001","89.317","0.001","70.56","0.001","1181.26","0.04","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H40 Cl0 F6 Mn N16 Sb -","- C48 H40 F6 Mn N16 Sb -","- C48 H40 F6 Mn N16 Sb -","1","0.5","","McKearney, Declan; MacDonald, Kyle; Kim, Min Suk; Williams, Vance E.; Leznoff, Daniel B.","Tuning the visible colour of octahedral manganese(III) phthalocyanines <i>via</i> axial ligand exchange.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","938","948","10.1039/d3dt03518b","","","1.54178","CuKα","","0.0275","0.0267","","","0.0706","0.0713","","","","","","1.056","","","","has coordinates,has disorder","289555","2024-02-04","12:12:21",""
"7714756","10.2034","0.0003","13.0541","0.0004","13.5633","0.0004","91.015","0.002","109.836","0.002","91.205","0.002","1698.42","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H52 Cl4 Mn2 N20 O -","- C84 H52 Cl4 Mn2 N20 O -","- C84 H52 Cl4 Mn2 N20 O -","1","0.5","","McKearney, Declan; MacDonald, Kyle; Kim, Min Suk; Williams, Vance E.; Leznoff, Daniel B.","Tuning the visible colour of octahedral manganese(III) phthalocyanines <i>via</i> axial ligand exchange.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","938","948","10.1039/d3dt03518b","","","1.54178","CuKα","","0.035","0.0333","","","0.0933","0.0947","","","","","","1.089","","","","has coordinates","289555","2024-02-04","12:12:21",""
"7714757","6.7827","0.0001","11.8143","0.0002","13.0385","0.0002","87.07","0.001","80.08","0.001","83.394","0.001","1021.84","0.03","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H32 Cl0 F6 Mn N12 O2 Sb -","- C40 H32 F6 Mn N12 O2 Sb -","- C40 H32 F6 Mn N12 O2 Sb -","1","0.5","","McKearney, Declan; MacDonald, Kyle; Kim, Min Suk; Williams, Vance E.; Leznoff, Daniel B.","Tuning the visible colour of octahedral manganese(III) phthalocyanines <i>via</i> axial ligand exchange.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","938","948","10.1039/d3dt03518b","","","1.54178","CuKα","","0.0272","0.0252","","","0.0685","0.0698","","","","","","1.06","","","","has coordinates,has disorder","289555","2024-02-04","12:12:21",""
"7714758","23.6576","0.0004","23.6576","0.0004","42.1881","0.0009","90","","90","","90","","23611.9","0.8","150","2","150","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C41.67 H25.33 Cl4.67 F4 Mn0.67 N6.67 O0 Sb0.67 -","- C41.6667 H25.6667 Cl4.66667 F4 Mn0.666667 N6.66667 Sb0.666667 -","- C1000 H616 Cl112 F96 Mn16 N160 Sb16 -","24","1.5","","McKearney, Declan; MacDonald, Kyle; Kim, Min Suk; Williams, Vance E.; Leznoff, Daniel B.","Tuning the visible colour of octahedral manganese(III) phthalocyanines <i>via</i> axial ligand exchange.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","938","948","10.1039/d3dt03518b","","","1.54178","CuKα","","0.0912","0.0768","","","0.224","0.2449","","","","","","1.017","","","","has coordinates","289555","2024-02-04","12:12:21",""
"7714759","9.3814","0.0004","11.7093","0.0005","15.1727","0.0007","77.135","0.004","81.131","0.004","89.347","0.004","1604.99","0.13","150","2","150","2","","","","","","","","9","P 1","P 1","1","","","","- C74 H46 Cl2 F6 Mn N8 O2 P2 Sb -","- C74 H46 Cl2 F6 Mn N8 O2 P2 Sb -","- C74 H46 Cl2 F6 Mn N8 O2 P2 Sb -","1","1","","McKearney, Declan; MacDonald, Kyle; Kim, Min Suk; Williams, Vance E.; Leznoff, Daniel B.","Tuning the visible colour of octahedral manganese(III) phthalocyanines <i>via</i> axial ligand exchange.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","938","948","10.1039/d3dt03518b","","","1.54178","CuKα","","0.0805","0.0766","","","0.1962","0.1998","","","","","","1.066","","","","has coordinates","289555","2024-02-04","12:12:21",""
"7714760","14.2966","0.0011","15.5154","0.0013","14.4767","0.0012","90","","96.601","0.005","90","","3189.9","0.5","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 Co F12 Fe N2 O6 -","- C27 H23 Co F12 Fe N2 O6 -","- C108 H92 Co4 F48 Fe4 N8 O24 -","4","1","","Maryunina, Kseniya; Nigomedyanova, Daria; Morozov, Vitaly; Smirnova, Kristina; Letyagin, Gleb; Romanenko, Galina; Efimov, Nikolay; Bogomyakov, Artem; Ovcharenko, Victor","Ferrocenyl-substituted nitronyl nitroxide in the design of one-dimensional magnets.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1714","1721","10.1039/d3dt03858k","","","0.71073","MoKα","","0.146","0.0542","","","0.0931","0.1179","","","","","","1.021","","","","has coordinates,has disorder","289503","2024-02-04","11:56:53",""
"7714761","12.2065","0.0012","12.3811","0.0012","14.0205","0.0013","86.613","0.005","71.39","0.005","83.519","0.006","1994.7","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H48 Cu3 F36 Fe2 N4 O16 -","- C64 H48 Cu3 F36 Fe2 N4 O16 -","- C64 H48 Cu3 F36 Fe2 N4 O16 -","1","0.5","","Maryunina, Kseniya; Nigomedyanova, Daria; Morozov, Vitaly; Smirnova, Kristina; Letyagin, Gleb; Romanenko, Galina; Efimov, Nikolay; Bogomyakov, Artem; Ovcharenko, Victor","Ferrocenyl-substituted nitronyl nitroxide in the design of one-dimensional magnets.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1714","1721","10.1039/d3dt03858k","","","0.71073","MoKα","","0.1004","0.0376","","","0.0814","0.0978","","","","","","0.773","","","","has coordinates,has disorder","289503","2024-02-04","11:56:53",""
"7714762","13.6953","0.0013","21.185","0.002","21.563","0.002","90","","90","","90","","6256.2","1","296","2","296","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C54 H46 Co2 F24 Fe2 N4 O11 -","- C54 H46 Co2 F24 Fe2 N4 O11 -","- C216 H184 Co8 F96 Fe8 N16 O44 -","4","0.5","","Maryunina, Kseniya; Nigomedyanova, Daria; Morozov, Vitaly; Smirnova, Kristina; Letyagin, Gleb; Romanenko, Galina; Efimov, Nikolay; Bogomyakov, Artem; Ovcharenko, Victor","Ferrocenyl-substituted nitronyl nitroxide in the design of one-dimensional magnets.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1714","1721","10.1039/d3dt03858k","","","1.54178","CuKα","","0.059","0.0408","","","0.0999","0.1078","","","","","","0.942","","","","has coordinates,has disorder","289503","2024-02-04","11:56:54",""
"7714763","14.3528","0.0003","15.6852","0.0004","14.5169","0.0003","90","","97.424","0.002","90","","3240.74","0.13","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 F12 Fe Mn N2 O6 -","- C27 H23 F12 Fe Mn N2 O6 -","- C108 H92 F48 Fe4 Mn4 N8 O24 -","4","1","","Maryunina, Kseniya; Nigomedyanova, Daria; Morozov, Vitaly; Smirnova, Kristina; Letyagin, Gleb; Romanenko, Galina; Efimov, Nikolay; Bogomyakov, Artem; Ovcharenko, Victor","Ferrocenyl-substituted nitronyl nitroxide in the design of one-dimensional magnets.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1714","1721","10.1039/d3dt03858k","","","0.71073","MoKα","","0.1112","0.0492","","","0.1075","0.1311","","","","","","1.008","","","","has coordinates,has disorder","289503","2024-02-04","11:56:54",""
"7714764","12.2352","0.0011","15.001","0.0014","21.498","0.002","72.553","0.004","89.059","0.005","76.936","0.005","3661.2","0.6","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C28.5 H26.5 F12 Fe N2 O6 Zn -","- C28.5 H26.5 F12 Fe N2 O6 Zn -","- C114 H106 F48 Fe4 N8 O24 Zn4 -","4","2","","Maryunina, Kseniya; Nigomedyanova, Daria; Morozov, Vitaly; Smirnova, Kristina; Letyagin, Gleb; Romanenko, Galina; Efimov, Nikolay; Bogomyakov, Artem; Ovcharenko, Victor","Ferrocenyl-substituted nitronyl nitroxide in the design of one-dimensional magnets.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1714","1721","10.1039/d3dt03858k","","","1.54178","CuKα","","0.108","0.0652","","","0.1817","0.2118","","","","","","1.005","","","","has coordinates","289503","2024-02-04","11:56:54",""
"7714765","15.3968","0.0019","11.683","0.001","22.175","0.003","90","","97.779","0.009","90","","3952.1","0.8","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Co F18 Fe N2 O7 -","- C32 H26 Co F18 Fe N2 O7 -","- C128 H104 Co4 F72 Fe4 N8 O28 -","4","1","","Maryunina, Kseniya; Nigomedyanova, Daria; Morozov, Vitaly; Smirnova, Kristina; Letyagin, Gleb; Romanenko, Galina; Efimov, Nikolay; Bogomyakov, Artem; Ovcharenko, Victor","Ferrocenyl-substituted nitronyl nitroxide in the design of one-dimensional magnets.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1714","1721","10.1039/d3dt03858k","","","0.71073","MoKα","","0.1796","0.0401","","","0.0451","0.0655","","","","","","0.661","","","","has coordinates,has disorder","289503","2024-02-04","11:56:54",""
"7714766","12.3105","0.0006","15.483","0.0008","19.1434","0.001","75.379","0.003","87.408","0.003","69.457","0.003","3302.3","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H23 F12 Fe N2 O6 Zn -","- C27 H23 F12 Fe N2 O6 Zn -","- C108 H92 F48 Fe4 N8 O24 Zn4 -","4","2","","Maryunina, Kseniya; Nigomedyanova, Daria; Morozov, Vitaly; Smirnova, Kristina; Letyagin, Gleb; Romanenko, Galina; Efimov, Nikolay; Bogomyakov, Artem; Ovcharenko, Victor","Ferrocenyl-substituted nitronyl nitroxide in the design of one-dimensional magnets.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1714","1721","10.1039/d3dt03858k","","","0.71073","MoKα","","0.117","0.0411","","","0.0885","0.1052","","","","","","0.823","","","","has coordinates,has disorder","289503","2024-02-04","11:56:54",""
"7714767","9.908","0.0006","12.0043","0.0006","7.3977","0.0005","90","","105.336","0.006","90","","848.54","0.09","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H7 Co0.59 Fe0.41 N O6 -","- C7 H3 Co0.59 Fe0.41 N O6 -","- C28 H12 Co2.36 Fe1.64 N4 O24 -","4","0.5","","Hou, Juan-Juan; Liu, Huan; Wang, Ting; Tian, Bao-Qiang; Yang, Yang; Zhang, Xian-Ming","Surface defect-engineered Fe doping in layered Co-based complex as highly efficient bifunctional electrocatalysts for overall water splitting.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1245","1252","10.1039/d3dt03486k","","","1.54178","CuKα","","0.0556","0.0541","","","0.1477","0.1485","","","","","","1.037","","","","has coordinates","289533","2024-02-04","12:04:02",""
"7714768","9.9048","0.0002","11.9887","0.0002","7.3971","0.0001","90","","105.309","0.002","90","","847.21","0.03","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H7 Co0.75 Fe0.25 N O6 -","- C7 H7 Co0.75 Fe0.25 N O6 -","- C28 H28 Co3 Fe N4 O24 -","4","0.5","","Hou, Juan-Juan; Liu, Huan; Wang, Ting; Tian, Bao-Qiang; Yang, Yang; Zhang, Xian-Ming","Surface defect-engineered Fe doping in layered Co-based complex as highly efficient bifunctional electrocatalysts for overall water splitting.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1245","1252","10.1039/d3dt03486k","","","1.54178","CuKα","","0.0233","0.0231","","","0.0597","0.0598","","","","","","1.087","","","","has coordinates","289533","2024-02-04","12:04:02",""
"7714769","37.7905","0.0013","37.7905","0.0013","61.582","0.002","90","","90","","90","","87947","5","150","2","150","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C142 H300 Dy12 Fe8 N40 O102 -","- C130 H272 Dy12 Fe8 N36 O98 -","- C2080 H4352 Dy192 Fe128 N576 O1568 -","16","0.5","","Peng, Yan; Braun, Jonas; Schulze, Michael; Kaemmerer, Hagen; Schneider, Yannik F.; Anson, Christopher E.; Wernsdorfer, Wolfgang; Powell, Annie K.","A nested spin structure and single molecule magnet behaviour in an Fe<sub>8</sub>Dy<sub>12</sub> heterometallic cyclic coordination cluster.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","894","897","10.1039/d3dt04141g","","","0.79942","synchrotron","","0.0766","0.0575","","","0.1763","0.1996","","","","","","1.576","","","","has coordinates,has disorder","289544","2024-02-04","12:06:29",""
"7714770","9.0332","0.0009","11.5594","0.0015","12.589","0.002","114.397","0.015","91.526","0.011","112.134","0.011","1082.7","0.3","93.15","","93.15","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 As B -","- C27 H24 As B -","- C54 H48 As2 B2 -","2","1","","Sumida, Akifumi; Onishi, Tomoharu; Imoto, Hiroaki; Naka, Kensuke","Synthesis, structures, and photophysical properties of π-extended arsaborins.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1706","1713","10.1039/d3dt03798c","","x-ray","0.71073","MoKα","","0.0593","0.042","","","0.0768","0.0789","","","","","","0.881","","","","has coordinates","289490","2024-02-04","11:53:12",""
"7714771","10.0361","0.0006","12.8683","0.0008","17.6889","0.0011","108.955","0.006","91.163","0.005","104.195","0.005","2082.1","0.2","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 As B S2 -","- C23 H20 As B S2 -","- C92 H80 As4 B4 S8 -","4","2","","Sumida, Akifumi; Onishi, Tomoharu; Imoto, Hiroaki; Naka, Kensuke","Synthesis, structures, and photophysical properties of π-extended arsaborins.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1706","1713","10.1039/d3dt03798c","","x-ray","0.71073","MoKα","","0.0639","0.0459","","","0.1102","0.1244","","","","","","1.031","","","","has coordinates","289490","2024-02-04","11:53:12",""
"7714772","13.0015","0.0008","20.0469","0.001","8.4791","0.0006","90","","106.771","0.007","90","","2116","0.2","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 As B S2 -","- C23 H20 As B S2 -","- C92 H80 As4 B4 S8 -","4","1","","Sumida, Akifumi; Onishi, Tomoharu; Imoto, Hiroaki; Naka, Kensuke","Synthesis, structures, and photophysical properties of π-extended arsaborins.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1706","1713","10.1039/d3dt03798c","","x-ray","0.71073","MoKα","","0.0528","0.0306","","","0.0639","0.0712","","","","","","1.031","","","","has coordinates","289490","2024-02-04","11:53:12",""
"7714773","12.0647","0.0005","12.4943","0.0007","16.6968","0.0008","93.998","0.004","110.602","0.004","114.323","0.005","2077.7","0.2","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 As B S2 -","- C23 H20 As B S2 -","- C92 H80 As4 B4 S8 -","4","2","","Sumida, Akifumi; Onishi, Tomoharu; Imoto, Hiroaki; Naka, Kensuke","Synthesis, structures, and photophysical properties of π-extended arsaborins.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1706","1713","10.1039/d3dt03798c","","x-ray","0.71073","MoKα","","0.0677","0.039","","","0.0759","0.0868","","","","","","1.013","","","","has coordinates","289490","2024-02-04","11:53:12",""
"7714774","11.075","0.0005","16.3776","0.0007","16.4079","0.0008","86.788","0.004","75.613","0.004","74.804","0.004","2781.8","0.2","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C35.5 H29 As B Cl -","- C35.5 H29 As B Cl -","- C142 H116 As4 B4 Cl4 -","4","2","","Sumida, Akifumi; Onishi, Tomoharu; Imoto, Hiroaki; Naka, Kensuke","Synthesis, structures, and photophysical properties of π-extended arsaborins.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1706","1713","10.1039/d3dt03798c","","x-ray","0.71073","MoKα","","0.0768","0.0499","","","0.1219","0.1438","","","","","","1.043","","","","has coordinates,has disorder","289490","2024-02-04","11:53:12",""
"7714775","13.0126","0.0014","20.092","0.0016","8.603","0.0008","90","","107.073","0.011","90","","2150.1","0.4","273.15","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 As B S2 -","- C23 H20 As B S2 -","- C92 H80 As4 B4 S8 -","4","1","","Sumida, Akifumi; Onishi, Tomoharu; Imoto, Hiroaki; Naka, Kensuke","Synthesis, structures, and photophysical properties of π-extended arsaborins.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1706","1713","10.1039/d3dt03798c","","x-ray","0.71073","MoKα","","0.057","0.0307","","","0.0646","0.0729","","","","","","0.966","","","","has coordinates","289490","2024-02-04","11:53:12",""
"7714776","12.9687","0.0018","20.036","0.002","8.4068","0.0015","90","","106.278","0.016","90","","2096.9","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 As B S2 -","- C23 H20 As B S2 -","- C92 H80 As4 B4 S8 -","4","1","","Sumida, Akifumi; Onishi, Tomoharu; Imoto, Hiroaki; Naka, Kensuke","Synthesis, structures, and photophysical properties of π-extended arsaborins.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1706","1713","10.1039/d3dt03798c","","x-ray","0.71073","MoKα","","0.0914","0.0545","","","0.1181","0.1445","","","","","","1.051","","","","has coordinates","289490","2024-02-04","11:53:12",""
"7714777","13.0268","0.0009","20.0634","0.0012","8.5129","0.0006","90","","106.887","0.008","90","","2129","0.3","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 As B S2 -","- C23 H20 As B S2 -","- C92 H80 As4 B4 S8 -","4","1","","Sumida, Akifumi; Onishi, Tomoharu; Imoto, Hiroaki; Naka, Kensuke","Synthesis, structures, and photophysical properties of π-extended arsaborins.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1706","1713","10.1039/d3dt03798c","","x-ray","0.71073","MoKα","","0.0507","0.0304","","","0.0667","0.0738","","","","","","1.021","","","","has coordinates","289490","2024-02-04","11:53:12",""
"7714778","13.0407","0.0015","20.1117","0.0016","8.6242","0.0009","90","","107.164","0.011","90","","2161.1","0.4","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 As B S2 -","- C23 H20 As B S2 -","- C92 H80 As4 B4 S8 -","4","1","","Sumida, Akifumi; Onishi, Tomoharu; Imoto, Hiroaki; Naka, Kensuke","Synthesis, structures, and photophysical properties of π-extended arsaborins.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1706","1713","10.1039/d3dt03798c","","x-ray","0.71073","MoKα","","0.0789","0.0363","","","0.0595","0.0722","","","","","","0.968","","","","has coordinates","289490","2024-02-04","11:53:12",""
"7714779","9.3729","0.0006","14.9082","0.001","17.5035","0.0008","86.683","0.004","81.031","0.004","75.64","0.005","2340","0.2","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H26 As B O0.5 S -","- C27.5 H26 As B O0.5 S -","- C110 H104 As4 B4 O2 S4 -","4","2","","Sumida, Akifumi; Onishi, Tomoharu; Imoto, Hiroaki; Naka, Kensuke","Synthesis, structures, and photophysical properties of π-extended arsaborins.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1706","1713","10.1039/d3dt03798c","","x-ray","0.71073","MoKα","","0.0886","0.0635","","","0.158","0.1839","","","","","","1.027","","","","has coordinates","289490","2024-02-04","11:53:12",""
"7714780","9.0967","0.0003","15.1687","0.0007","20.2163","0.0005","68.133","0.003","88.064","0.002","83.955","0.003","2574.4","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H50 As2 Au2 B2 Cl4 -","- C55 H50 As2 Au2 B2 Cl4 -","- C110 H100 As4 Au4 B4 Cl8 -","2","1","","Sumida, Akifumi; Onishi, Tomoharu; Imoto, Hiroaki; Naka, Kensuke","Synthesis, structures, and photophysical properties of π-extended arsaborins.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1706","1713","10.1039/d3dt03798c","","x-ray","0.71073","MoKα","","0.0419","0.029","","","0.0651","0.0706","","","","","","0.993","","","","has coordinates","289490","2024-02-04","11:53:12",""
"7714781","10.9773","0.0003","15.1163","0.0005","17.7332","0.0007","84.333","0.003","80.134","0.003","87.199","0.003","2883.36","0.17","93.15","","93.15","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H15 As -","- C18 H15 As -","- C144 H120 As8 -","8","4","","Sumida, Akifumi; Onishi, Tomoharu; Imoto, Hiroaki; Naka, Kensuke","Synthesis, structures, and photophysical properties of π-extended arsaborins.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1706","1713","10.1039/d3dt03798c","","x-ray","0.71073","MoKα","","0.056","0.0379","","","0.0851","0.095","","","","","","1.044","","","","has coordinates","289490","2024-02-04","11:53:12",""
"7714782","9.1146","0.0004","10.91","0.0006","11.5623","0.0005","91.366","0.004","104.231","0.004","105.148","0.004","1070.97","0.09","100.05","","100.05","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 B P -","- C27 H24 B P -","- C54 H48 B2 P2 -","2","1","","Sumida, Akifumi; Onishi, Tomoharu; Imoto, Hiroaki; Naka, Kensuke","Synthesis, structures, and photophysical properties of π-extended arsaborins.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1706","1713","10.1039/d3dt03798c","","x-ray","0.71073","MoKα","","0.0584","0.0468","","","0.1252","0.1372","","","","","","1.066","","","","has coordinates","289490","2024-02-04","11:53:12",""
"7714783","9.5976","0.0007","11.9622","0.0006","20.8108","0.0011","89.766","0.004","78.127","0.005","77.208","0.005","2278","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 As B S -","- C27 H24 As B S -","- C108 H96 As4 B4 S4 -","4","2","","Sumida, Akifumi; Onishi, Tomoharu; Imoto, Hiroaki; Naka, Kensuke","Synthesis, structures, and photophysical properties of π-extended arsaborins.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1706","1713","10.1039/d3dt03798c","","x-ray","0.71073","MoKα","","0.0972","0.0579","","","0.1297","0.1534","","","","","","1.017","","","","has coordinates","289490","2024-02-04","11:53:12",""
"7714784","14.3806","0.0006","16.2266","0.0005","17.3781","0.0005","102.239","0.003","112.933","0.003","105.195","0.003","3371.5","0.3","100.01","0.1","100","","","","","","","","","6","P -1","-P 1","2","Ru(II) complex of pyridine-triazole ligand","[Ru(Lpyridine)3](PF6)2.2MeCN.Et2O","","- C64 H54 F12 N14 P2 Ru -","- C64 H54 F12 N14 P2 Ru -","- C128 H108 F24 N28 P4 Ru2 -","2","1","","Robb, Matthew G.; Bondì, Luca; Rodríguez-Jiménez, Santiago; Garden, Anna L.; Jerabek, Paul; Brooker, Sally","Predictable electronic tuning of Fe<sup>II</sup> and Ru<sup>II</sup> complexes <i>via</i> choice of azine: correlation of ligand p<i>K</i><sub>a</sub> with <i>E</i><sub>pa</sub>(M<sup>III/II</sup>) of complex.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","1999","2007","10.1039/d3dt03484d","","x-ray","1.54184","CuKα","","0.0651","0.0598","","","0.1615","0.1662","","","","","","1.064","","","","has coordinates,has disorder","289479","2024-02-04","11:48:58",""
"7714785","18.2893","0.0005","17.5489","0.0006","18.9097","0.0006","90","","95.352","0.003","90","","6042.7","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ru(II) complex of pyrazine-triazole ligand","[Ru(Lpyrazine)3](PF6)2.2MeCN","","- C61 H51 F12 N17 P2 Ru -","- C61 H51 F12 N17 P2 Ru -","- C244 H204 F48 N68 P8 Ru4 -","4","1","","Robb, Matthew G.; Bondì, Luca; Rodríguez-Jiménez, Santiago; Garden, Anna L.; Jerabek, Paul; Brooker, Sally","Predictable electronic tuning of Fe<sup>II</sup> and Ru<sup>II</sup> complexes <i>via</i> choice of azine: correlation of ligand p<i>K</i><sub>a</sub> with <i>E</i><sub>pa</sub>(M<sup>III/II</sup>) of complex.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","1999","2007","10.1039/d3dt03484d","","x-ray","1.54184","CuKα","","0.1173","0.0741","","","0.1736","0.1992","","","","","","0.973","","","","has coordinates","289479","2024-02-04","11:48:58",""
"7714786","14.436","0.001","16.0577","0.001","17.3704","0.0012","103.299","0.006","112.553","0.007","105.024","0.006","3337.6","0.5","100.01","0.1","100","","","","","","","","","6","P -1","-P 1","2","Ru(II) complex of pyrimidine-triazole ligand","[Ru(L4-pyrimidine)3](PF6)2.2MeCN?Et2O","","- C57 H45 F12 N15 P2 Ru -","- C57 H45 F12 N15 P2 Ru -","- C114 H90 F24 N30 P4 Ru2 -","2","1","","Robb, Matthew G.; Bondì, Luca; Rodríguez-Jiménez, Santiago; Garden, Anna L.; Jerabek, Paul; Brooker, Sally","Predictable electronic tuning of Fe<sup>II</sup> and Ru<sup>II</sup> complexes <i>via</i> choice of azine: correlation of ligand p<i>K</i><sub>a</sub> with <i>E</i><sub>pa</sub>(M<sup>III/II</sup>) of complex.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","1999","2007","10.1039/d3dt03484d","","x-ray","1.54184","CuKα","","0.124","0.0967","","","0.2727","0.3036","","","","","","1.112","","","","has coordinates","289479","2024-02-04","11:48:58",""
"7714787","9.1902","0.0015","28.224","0.005","11.9753","0.0019","90","","90.93","0.005","90","","3105.8","0.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H27 N4 P S2 -","- C38 H27 N4 P S2 -","- C152 H108 N16 P4 S8 -","4","1","","Sinitsa, Dmitry K.; Pylova, Ekaterina K.; Mironova, Olga A.; Bashirov, Denis A.; Ryadun, Alexey A.; Sukhikh, Taisiya S.; Konchenko, Sergey N.","Lanthanide complexes with a new luminescent iminophosphonamide ligand bearing phenylbenzothiazole substituents.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2181","2192","10.1039/d3dt03511e","","","0.71073","MoKα","","0.0969","0.0817","","","0.2339","0.2433","","","","","","1.127","","","","has coordinates","289475","2024-02-04","11:48:07",""
"7714788","19.211","0.002","14.682","0.0014","38.175","0.004","90","","94.11","0.003","90","","10739.8","1.9","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C130 H98 N12 O0.5 P3 S6 Sm -","- C130 H98 N12 O0.5 P3 S6 Sm -","- C520 H392 N48 O2 P12 S24 Sm4 -","4","1","","Sinitsa, Dmitry K.; Pylova, Ekaterina K.; Mironova, Olga A.; Bashirov, Denis A.; Ryadun, Alexey A.; Sukhikh, Taisiya S.; Konchenko, Sergey N.","Lanthanide complexes with a new luminescent iminophosphonamide ligand bearing phenylbenzothiazole substituents.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2181","2192","10.1039/d3dt03511e","","","0.71073","MoKα","","0.1113","0.0841","","","0.1753","0.186","","","","","","1.184","","","","has coordinates,has disorder","289475","2024-02-04","11:48:07",""
"7714789","19.092","0.002","14.6554","0.0016","38.107","0.004","90","","94.156","0.003","90","","10634","2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C126.5 H94 N12 O0.5 P3 S6 Y -","- C126.5 H94 N12 O0.5 P3 S6 Y -","- C506 H376 N48 O2 P12 S24 Y4 -","4","1","","Sinitsa, Dmitry K.; Pylova, Ekaterina K.; Mironova, Olga A.; Bashirov, Denis A.; Ryadun, Alexey A.; Sukhikh, Taisiya S.; Konchenko, Sergey N.","Lanthanide complexes with a new luminescent iminophosphonamide ligand bearing phenylbenzothiazole substituents.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2181","2192","10.1039/d3dt03511e","","","0.71073","MoKα","","0.1637","0.0902","","","0.1956","0.2303","","","","","","1.031","","","","has coordinates,has disorder","289475","2024-02-04","11:48:07",""
"7714790","9.8197","0.0015","14.331","0.002","23.996","0.003","90","","90.96","0.005","90","","3376.4","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 N5 P S2 -","- C40 H30 N5 P S2 -","- C160 H120 N20 P4 S8 -","4","1","","Sinitsa, Dmitry K.; Pylova, Ekaterina K.; Mironova, Olga A.; Bashirov, Denis A.; Ryadun, Alexey A.; Sukhikh, Taisiya S.; Konchenko, Sergey N.","Lanthanide complexes with a new luminescent iminophosphonamide ligand bearing phenylbenzothiazole substituents.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2181","2192","10.1039/d3dt03511e","","","0.71073","MoKα","","0.0773","0.0549","","","0.1289","0.1444","","","","","","1.044","","","","has coordinates","289475","2024-02-04","11:48:07",""
"7714791","22.7471","0.0015","14.4532","0.001","37.979","0.003","90","","93.482","0.003","90","","12463.2","1.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C144 H126 Dy N12 O4 P3 S6 -","- C144 H126 Dy N12 O4 P3 S6 -","- C576 H504 Dy4 N48 O16 P12 S24 -","4","1","","Sinitsa, Dmitry K.; Pylova, Ekaterina K.; Mironova, Olga A.; Bashirov, Denis A.; Ryadun, Alexey A.; Sukhikh, Taisiya S.; Konchenko, Sergey N.","Lanthanide complexes with a new luminescent iminophosphonamide ligand bearing phenylbenzothiazole substituents.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2181","2192","10.1039/d3dt03511e","","","0.71073","MoKα","","0.0701","0.0517","","","0.1305","0.1419","","","","","","1.019","","","","has coordinates","289475","2024-02-04","11:48:07",""
"7714792","19.0929","0.0019","14.6218","0.0018","38.215","0.005","90","","94.667","0.003","90","","10633","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C124.81 H92.99 N12 P3 S6 Y -","- C124.817 H92.998 N12 P3 S6 Y -","- C499.268 H371.992 N48 P12 S24 Y4 -","4","1","","Sinitsa, Dmitry K.; Pylova, Ekaterina K.; Mironova, Olga A.; Bashirov, Denis A.; Ryadun, Alexey A.; Sukhikh, Taisiya S.; Konchenko, Sergey N.","Lanthanide complexes with a new luminescent iminophosphonamide ligand bearing phenylbenzothiazole substituents.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2181","2192","10.1039/d3dt03511e","","","0.71073","MoKα","","0.1349","0.0718","","","0.1527","0.1838","","","","","","1.017","","","","has coordinates,has disorder","289475","2024-02-04","11:48:07",""
"7714793","22.7279","0.0006","14.474","0.0005","38.0128","0.0012","90","","93.449","0.001","90","","12482.2","0.7","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C147 H126 Gd N12 O3 P3 S6 -","- C147 H126 Gd N12 O3 P3 S6 -","- C588 H504 Gd4 N48 O12 P12 S24 -","4","1","","Sinitsa, Dmitry K.; Pylova, Ekaterina K.; Mironova, Olga A.; Bashirov, Denis A.; Ryadun, Alexey A.; Sukhikh, Taisiya S.; Konchenko, Sergey N.","Lanthanide complexes with a new luminescent iminophosphonamide ligand bearing phenylbenzothiazole substituents.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2181","2192","10.1039/d3dt03511e","","","0.71073","MoKα","","0.0578","0.0454","","","0.108","0.1157","","","","","","1.038","","","","has coordinates,has disorder","289475","2024-02-04","11:48:07",""
"7714794","11.2782","0.0004","15.363","0.0004","9.5551","0.0002","90","","90","","90","","1655.58","0.08","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H15 Br5 Mn N6 -","- C3 H15 Br5 Mn N6 -","- C12 H60 Br20 Mn4 N24 -","4","0.5","","Fateev, Sergey A.; Kozhevnikova, Vladislava Y.; Kuznetsov, Kirill M.; Belikova, Daria E.; Khrustalev, Victor N.; Goodilin, Eugene A.; Tarasov, Alexey B.","Optical and scintillation properties of hybrid manganese(II) bromides with formamidinium and acetamidinium cations.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2722","2730","10.1039/d3dt03452f","","","1.54184","CuKα","","0.0466","0.0448","","","0.11","0.1117","","","","","","1.014","","","","has coordinates","290185","2024-03-04","20:18:55",""
"7714795","5.78966","0.00008","10.52718","0.00016","16.74863","0.00019","90","","97.3885","0.0012","90","","1012.33","0.02","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H32 Br2 Mn O4 -","- C12 H32 Br2 Mn O4 -","- C24 H64 Br4 Mn2 O8 -","2","0.5","","Fateev, Sergey A.; Kozhevnikova, Vladislava Y.; Kuznetsov, Kirill M.; Belikova, Daria E.; Khrustalev, Victor N.; Goodilin, Eugene A.; Tarasov, Alexey B.","Optical and scintillation properties of hybrid manganese(II) bromides with formamidinium and acetamidinium cations.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2722","2730","10.1039/d3dt03452f","","","1.54184","CuKα","","0.0297","0.0268","","","0.0601","0.0613","","","","","","1.076","","","","has coordinates","290185","2024-03-04","20:18:56",""
"7714796","7.8711","0.00007","7.97838","0.00009","12.90853","0.00012","72.66","0.0009","78.5236","0.0007","67.0044","0.001","709.158","0.013","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H14 Br4 Mn N4 -","- C4 H14 Br4 Mn N4 -","- C8 H28 Br8 Mn2 N8 -","2","1","","Fateev, Sergey A.; Kozhevnikova, Vladislava Y.; Kuznetsov, Kirill M.; Belikova, Daria E.; Khrustalev, Victor N.; Goodilin, Eugene A.; Tarasov, Alexey B.","Optical and scintillation properties of hybrid manganese(II) bromides with formamidinium and acetamidinium cations.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2722","2730","10.1039/d3dt03452f","","","1.54184","CuKα","","0.0306","0.0306","","","0.0826","0.0827","","","","","","1.057","","","","has coordinates","290185","2024-03-04","20:18:56",""
"7714797","12.1992","0.0015","12.3984","0.0018","21.399","0.003","90","","90","","90","","3236.6","0.8","150","0.1","150","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C24 H56 Fe2 N12 -","- C24 H56 Fe2 N12 -","- C96 H224 Fe8 N48 -","4","0.5","","Soussi, Khaled; Jeanneau, Erwann; Maldivi, Pascale; Clémancey, Martin; Latour, Jean-Marc; Khrouz, Lhoussain; Lorentz, Chantal; Daniele, Stéphane; Mishra, Shashank","<i>N</i>-Alkyl substituted triazenide-bridged homoleptic iron(II) dimers with an exceptionally short Fe-Fe bond.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1439","1444","10.1039/d3dt03132b","","x-ray","0.71073","MoKα","","0.085","0.0644","","","0.1644","0.1903","","","","","","1.043","","","","has coordinates","289499","2024-02-04","11:55:51",""
"7714798","19.115","0.002","11.7866","0.0008","21.137","0.002","90","","120.907","0.016","90","","4086","0.9","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H72 Fe2 N12 -","- C32 H72 Fe2 N12 -","- C128 H288 Fe8 N48 -","4","0.5","","Soussi, Khaled; Jeanneau, Erwann; Maldivi, Pascale; Clémancey, Martin; Latour, Jean-Marc; Khrouz, Lhoussain; Lorentz, Chantal; Daniele, Stéphane; Mishra, Shashank","<i>N</i>-Alkyl substituted triazenide-bridged homoleptic iron(II) dimers with an exceptionally short Fe-Fe bond.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1439","1444","10.1039/d3dt03132b","","x-ray","0.71073","MoKα","","0.0701","0.0547","","","0.1405","0.1618","","","","","","1.111","","","","has coordinates","289499","2024-02-04","11:55:51",""
"7714799","10.7282","0.0013","29.457","0.003","8.1158","0.0008","90","","102.594","0.006","90","","2503.1","0.5","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13.25 H20 Co N12 O1.38 S3 -","- C13.25 H20 Co N12 O1.375 S3 -","- C53 H80 Co4 N48 O5.5 S12 -","4","1","","Gioftsidou, Dimitra K.; Kallitsakis, Michael G.; Kavaratzi, Konstantina; Hatzidimitriou, Antonios G.; Terzidis, Michael A.; Lykakis, Ioannis N.; Angaridis, Panagiotis A.","Synergy of redox-activity and hemilability in thioamidato cobalt(III) complexes for the chemoselective reduction of nitroarenes to anilines: catalytic and mechanistic investigation.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1469","1481","10.1039/d3dt02923a","","","0.71073","MoKα","","0.0596","0.0494","","0.0711","0.0694","0.0694","","","","","","1","","","","has coordinates,has disorder","289493","2024-02-04","11:54:13",""
"7714800","8.7104","0.0012","20.042","0.003","13.7941","0.0017","90","","90.357","0.007","90","","2408","0.6","295","","295","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Co F6 N4 P S2 -","- C20 H18 Co F6 N4 P S2 -","- C80 H72 Co4 F24 N16 P4 S8 -","4","1","","Gioftsidou, Dimitra K.; Kallitsakis, Michael G.; Kavaratzi, Konstantina; Hatzidimitriou, Antonios G.; Terzidis, Michael A.; Lykakis, Ioannis N.; Angaridis, Panagiotis A.","Synergy of redox-activity and hemilability in thioamidato cobalt(III) complexes for the chemoselective reduction of nitroarenes to anilines: catalytic and mechanistic investigation.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1469","1481","10.1039/d3dt02923a","","","0.71073","MoKα","","0.0762","0.0661","","0.1343","0.1312","0.1312","","","","","","1.0002","","","","has coordinates,has disorder","289493","2024-02-04","11:54:13",""
"7714801","10.311","0.0017","12.3024","0.0019","28.363","0.006","90","","90","","90","","3597.8","1.1","295","","295","","","","","","","","","5","P b c b","-P 2bc 2b","54","","","","- C14 H12 Co N7 S3 -","- C14 H12 Co N7 S3 -","- C112 H96 Co8 N56 S24 -","8","1","","Gioftsidou, Dimitra K.; Kallitsakis, Michael G.; Kavaratzi, Konstantina; Hatzidimitriou, Antonios G.; Terzidis, Michael A.; Lykakis, Ioannis N.; Angaridis, Panagiotis A.","Synergy of redox-activity and hemilability in thioamidato cobalt(III) complexes for the chemoselective reduction of nitroarenes to anilines: catalytic and mechanistic investigation.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1469","1481","10.1039/d3dt02923a","","","0.71073","MoKα","","0.0568","0.047","","0.0712","0.0704","0.0704","","","","","","1","","","","has coordinates,has disorder","289493","2024-02-04","11:54:13",""
"7714802","15.4562","0.0008","19.4479","0.0014","8.1889","0.0004","90","","90","","90","","2461.5","0.2","295","","295","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9.5 H11.25 Co0.5 N3.25 S1.5 -","- C9.5 H11.25 Co0.5 N3.25 S1.5 -","- C76 H90 Co4 N26 S12 -","8","2","","Gioftsidou, Dimitra K.; Kallitsakis, Michael G.; Kavaratzi, Konstantina; Hatzidimitriou, Antonios G.; Terzidis, Michael A.; Lykakis, Ioannis N.; Angaridis, Panagiotis A.","Synergy of redox-activity and hemilability in thioamidato cobalt(III) complexes for the chemoselective reduction of nitroarenes to anilines: catalytic and mechanistic investigation.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1469","1481","10.1039/d3dt02923a","","","0.71073","MoKα","","0.0426","0.0233","","0.0524","0.0491","0.0491","","","","","","0.9999","","","","has coordinates","289493","2024-02-04","11:54:13",""
"7714803","10.1905","0.0015","11.2851","0.0016","14.0183","0.0019","97.77","0.04","94.79","0.04","113.14","0.04","1452.2","0.6","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 Co N6 P S3 -","- C30 H24 Co N6 P S3 -","- C60 H48 Co2 N12 P2 S6 -","2","1","","Gioftsidou, Dimitra K.; Kallitsakis, Michael G.; Kavaratzi, Konstantina; Hatzidimitriou, Antonios G.; Terzidis, Michael A.; Lykakis, Ioannis N.; Angaridis, Panagiotis A.","Synergy of redox-activity and hemilability in thioamidato cobalt(III) complexes for the chemoselective reduction of nitroarenes to anilines: catalytic and mechanistic investigation.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1469","1481","10.1039/d3dt02923a","","","0.71073","MoKα","","0.0683","0.0404","","0.0876","0.0721","0.0721","","","","","","1","","","","has coordinates","289493","2024-02-04","11:54:13",""
"7714804","12.6502","0.0005","13.2027","0.0005","22.541","0.0008","90","","90","","90","","3764.7","0.2","295","","295","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 Co F6 N2 O0.25 P3 S2 -","- C36 H32 Co F6 N2 O0.25 P3 S2 -","- C144 H128 Co4 F24 N8 O P12 S8 -","4","1","","Gioftsidou, Dimitra K.; Kallitsakis, Michael G.; Kavaratzi, Konstantina; Hatzidimitriou, Antonios G.; Terzidis, Michael A.; Lykakis, Ioannis N.; Angaridis, Panagiotis A.","Synergy of redox-activity and hemilability in thioamidato cobalt(III) complexes for the chemoselective reduction of nitroarenes to anilines: catalytic and mechanistic investigation.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1469","1481","10.1039/d3dt02923a","","","0.71073","MoKα","","0.0367","0.0305","","0.0541","0.0521","0.0521","","","","","","1.0003","","","","has coordinates","289493","2024-02-04","11:54:13",""
"7714805","14.773","0.0005","12.7347","0.0005","20.8529","0.0008","90","","92.829","0.002","90","","3918.3","0.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H52 F2 N4 Ni2 O9 -","- C34 H52 F2 N4 Ni2 O9 -","- C136 H208 F8 N16 Ni8 O36 -","4","1","","Liu, Guan-Lin; Wu, En-Hsu; Hung, Yu-Ching; Chou, Wei-Chi; Hung, Chia-Hsin; Lin, Chu-Chieh; Ko, Bao-Tsan","Tetracosanuclear nickel complexes as effective catalysts for cycloaddition of carbon dioxide with epoxides.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1425","1429","10.1039/d3dt03460g","","","0.71073","MoKα","","0.0363","0.0283","","","0.0699","0.074","","","","","","1.038","","","","has coordinates,has disorder","289505","2024-02-04","11:58:05",""
"7714806","12.1743","0.0008","17.2045","0.0012","18.9504","0.0013","107.87","0.002","107.105","0.003","99.032","0.002","3474.7","0.4","150","2","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H45 Cl F2 N4 Ni2 O7.25 -","- C28 H40 F2 N4 Ni2 O7 -","- C112 H160 F8 N16 Ni8 O28 -","4","2","","Liu, Guan-Lin; Wu, En-Hsu; Hung, Yu-Ching; Chou, Wei-Chi; Hung, Chia-Hsin; Lin, Chu-Chieh; Ko, Bao-Tsan","Tetracosanuclear nickel complexes as effective catalysts for cycloaddition of carbon dioxide with epoxides.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1425","1429","10.1039/d3dt03460g","","","0.71073","MoKα","","0.0562","0.0398","","","0.1071","0.12","","","","","","1.034","","","","has coordinates","289505","2024-02-04","11:58:05",""
"7714807","33.816","0.004","26.775","0.004","36.089","0.005","90","","90.081","0.007","90","","32676","8","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C248 H427 Br8 Cl20 N16 Ni24 O80.5 -","- C184 H280 Br8 N16 Ni24 O80 -","- C736 H1120 Br32 N64 Ni96 O320 -","4","1","","Liu, Guan-Lin; Wu, En-Hsu; Hung, Yu-Ching; Chou, Wei-Chi; Hung, Chia-Hsin; Lin, Chu-Chieh; Ko, Bao-Tsan","Tetracosanuclear nickel complexes as effective catalysts for cycloaddition of carbon dioxide with epoxides.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1425","1429","10.1039/d3dt03460g","","","0.71073","MoKα","","0.1667","0.0875","","","0.2525","0.298","","","","","","1.009","","","","has coordinates,has disorder","289505","2024-02-04","11:58:05",""
"7714808","24.8794","0.001","26.4236","0.001","43.2603","0.0017","90","","93.397","0.002","90","","28389.5","1.9","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C223 H379 Cl6 F8 N16 Ni24 O80.5 -","- C160 H232 F8 N16 Ni24 O80 -","- C640 H928 F32 N64 Ni96 O320 -","4","1","","Liu, Guan-Lin; Wu, En-Hsu; Hung, Yu-Ching; Chou, Wei-Chi; Hung, Chia-Hsin; Lin, Chu-Chieh; Ko, Bao-Tsan","Tetracosanuclear nickel complexes as effective catalysts for cycloaddition of carbon dioxide with epoxides.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1425","1429","10.1039/d3dt03460g","","","0.71073","MoKα","","0.1216","0.0832","","","0.213","0.243","","","","","","1.063","","","","has coordinates","289505","2024-02-04","11:58:05",""
"7714809","33.427","0.005","26.526","0.004","35.933","0.005","90","","90.278","0.006","90","","31861","8","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C250.5 H424 N16 Ni24 O85.5 -","- C178.5 H255 N16 Ni24 O85 -","- C714 H1020 N64 Ni96 O340 -","4","1","","Liu, Guan-Lin; Wu, En-Hsu; Hung, Yu-Ching; Chou, Wei-Chi; Hung, Chia-Hsin; Lin, Chu-Chieh; Ko, Bao-Tsan","Tetracosanuclear nickel complexes as effective catalysts for cycloaddition of carbon dioxide with epoxides.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1425","1429","10.1039/d3dt03460g","","","0.71073","MoKα","","0.1883","0.108","","","0.3204","0.367","","","","","","1.09","","","","has coordinates,has disorder","289505","2024-02-04","11:58:05",""
"7714810","24.885","0.0012","24.885","0.0012","73.876","0.006","90","","90","","90","","45749","5","150","","150","","","","","","","","","6","I 4/m","-I 4","87","","","","- C234 H388 Cl116 N16 Ni24 O88 -","- C176 H272 N16 Ni24 O88 -","- C704 H1088 N64 Ni96 O352 -","4","0.25","","Liu, Guan-Lin; Wu, En-Hsu; Hung, Yu-Ching; Chou, Wei-Chi; Hung, Chia-Hsin; Lin, Chu-Chieh; Ko, Bao-Tsan","Tetracosanuclear nickel complexes as effective catalysts for cycloaddition of carbon dioxide with epoxides.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1425","1429","10.1039/d3dt03460g","","","0.71073","MoKα","","0.0963","0.0846","","","0.2303","0.2375","","","","","","1.128","","","","has coordinates","289505","2024-02-04","11:58:05",""
"7714811","8.6224","0.0005","13.5614","0.0006","9.3946","0.0005","90","","105.647","0.0019","90","","1057.82","0.1","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H12 Cl2 O2 Pt S2 -","- C4 H12 Cl2 O2 Pt S2 -","- C16 H48 Cl8 O8 Pt4 S8 -","4","1","","Liang, Chun-Jie; Wu, Run-Chun; Huang, Xiao-Qiong; Qin, Qi-Pin; Liang, Hong; Tan, Ming-Xiong","Synthesis and anticancer mechanisms of four novel platinum(II) 4'-substituted-2,2':6',2''-terpyridine complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2143","2152","10.1039/d3dt03197g","","","0.71073","MoKα","","0.0236","0.0223","","","0.0586","0.0593","","","","","","1.003","","","","has coordinates","289485","2024-02-04","11:50:32",""
"7714812","7.5483","0.0007","12.8386","0.001","14.7671","0.0013","79.304","0.003","75.497","0.003","83.119","0.003","1357.4","0.2","150","2","150","","","","","","","","","8","P -1","-P 1","2","","","","- C23 H19 Br2 Cl4 N3 O Pt2 S -","- C23 H19 Br2 Cl4 N3 O Pt2 S -","- C46 H38 Br4 Cl8 N6 O2 Pt4 S2 -","2","1","","Liang, Chun-Jie; Wu, Run-Chun; Huang, Xiao-Qiong; Qin, Qi-Pin; Liang, Hong; Tan, Ming-Xiong","Synthesis and anticancer mechanisms of four novel platinum(II) 4'-substituted-2,2':6',2''-terpyridine complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2143","2152","10.1039/d3dt03197g","","","0.71073","MoKα","","0.0988","0.0903","","","0.2135","0.2202","","","","","","1.217","","","","has coordinates","289485","2024-02-04","11:50:32",""
"7714813","11.4487","0.0005","11.5208","0.0006","12.9041","0.0007","105.599","0.002","108.699","0.001","108.562","0.001","1391.81","0.13","150","2","150","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H25 Cl4 N5 O2 Pt2 S -","- C24 H25 Cl4 N5 O2 Pt2 S -","- C48 H50 Cl8 N10 O4 Pt4 S2 -","2","1","","Liang, Chun-Jie; Wu, Run-Chun; Huang, Xiao-Qiong; Qin, Qi-Pin; Liang, Hong; Tan, Ming-Xiong","Synthesis and anticancer mechanisms of four novel platinum(II) 4'-substituted-2,2':6',2''-terpyridine complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2143","2152","10.1039/d3dt03197g","","","0.71073","MoKα","","0.04","0.0269","","","0.0625","0.0676","","","","","","1.008","","","","has coordinates","289485","2024-02-04","11:50:32",""
"7714814","9.7407","0.0006","11.1975","0.0005","19.3778","0.0012","77.3037","0.0018","79.196","0.002","75.1122","0.0017","1973.35","0.19","150","2","150","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H38 Cl4 N6 O5 Pt2 S2 -","- C30 H38 Cl4 N6 O5 Pt2 S2 -","- C60 H76 Cl8 N12 O10 Pt4 S4 -","2","1","","Liang, Chun-Jie; Wu, Run-Chun; Huang, Xiao-Qiong; Qin, Qi-Pin; Liang, Hong; Tan, Ming-Xiong","Synthesis and anticancer mechanisms of four novel platinum(II) 4'-substituted-2,2':6',2''-terpyridine complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2143","2152","10.1039/d3dt03197g","","","0.71073","MoKα","","0.0638","0.055","","","0.1383","0.1446","","","","","","1.125","","","","has coordinates","289485","2024-02-04","11:50:32",""
"7714815","7.4848","0.0007","8.8709","0.0008","13.4498","0.0012","73.384","0.003","76.458","0.003","73.499","0.003","809.04","0.13","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H15 Cl2 N3 O2 Pt -","- C16 H15 Cl2 N3 O2 Pt -","- C32 H30 Cl4 N6 O4 Pt2 -","2","1","","Liang, Chun-Jie; Wu, Run-Chun; Huang, Xiao-Qiong; Qin, Qi-Pin; Liang, Hong; Tan, Ming-Xiong","Synthesis and anticancer mechanisms of four novel platinum(II) 4'-substituted-2,2':6',2''-terpyridine complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2143","2152","10.1039/d3dt03197g","","","0.71073","MoKα","","0.0608","0.0542","","","0.1377","0.1425","","","","","","1","","","","has coordinates","289485","2024-02-04","11:50:32",""
"7714816","17.9403","0.0005","12.642","0.0002","22.9581","0.0007","90","","114.81","0.004","90","","4726.3","0.3","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H46 Cl6 N4 O16 Ru2 -","- C36 H46 Cl6 N4 O16 Ru2 -","- C144 H184 Cl24 N16 O64 Ru8 -","4","0.5","","Biswas, Mitrali; Dey, Sanchaita; Dhara, Suman; Panda, Sanjib; Lahiri, Goutam Kumar","Metal-ligand synergy driven functionalisation of alkylene linked bis(aldimine) on a diruthenium(II) platform. Cyclisation <i>versus</i> oxygenation.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2167","2180","10.1039/d3dt03730d","","x-ray","0.71073","MoKα","","0.0655","0.0413","","","0.0841","0.0933","","","","","","1.039","","","","has coordinates","289487","2024-02-04","11:51:45",""
"7714817","10.986","0.002","13.108","0.003","15.434","0.003","67.924","0.003","72.987","0.004","77.492","0.004","1955.2","0.7","105","","105","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H42 N4 O10 Ru2 -","- C35 H42 N4 O10 Ru2 -","- C70 H84 N8 O20 Ru4 -","2","1","","Biswas, Mitrali; Dey, Sanchaita; Dhara, Suman; Panda, Sanjib; Lahiri, Goutam Kumar","Metal-ligand synergy driven functionalisation of alkylene linked bis(aldimine) on a diruthenium(II) platform. Cyclisation <i>versus</i> oxygenation.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2167","2180","10.1039/d3dt03730d","","","0.71073","MoKα","","0.1227","0.0815","","","0.1527","0.1689","","","","","","1.088","","","","has coordinates","289487","2024-02-04","11:51:45",""
"7714818","22.5574","0.0006","13.0011","0.0003","21.5012","0.0006","90","","97.806","0.003","90","","6247.2","0.3","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H50 Cl14 N4 O16 Ru2 -","- C40 H50 Cl14 N4 O16 Ru2 -","- C160 H200 Cl56 N16 O64 Ru8 -","4","0.5","","Biswas, Mitrali; Dey, Sanchaita; Dhara, Suman; Panda, Sanjib; Lahiri, Goutam Kumar","Metal-ligand synergy driven functionalisation of alkylene linked bis(aldimine) on a diruthenium(II) platform. Cyclisation <i>versus</i> oxygenation.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2167","2180","10.1039/d3dt03730d","","x-ray","0.71073","MoKα","","0.0836","0.0697","","","0.1819","0.1912","","","","","","1.092","","","","has coordinates","289487","2024-02-04","11:51:45",""
"7714819","12.5742","0.001","12.8511","0.0011","13.6116","0.0012","72.1","0.008","69.913","0.008","81.135","0.007","1962.8","0.3","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H40 N4 O10 Ru2 -","- C34 H40 N4 O10 Ru2 -","- C68 H80 N8 O20 Ru4 -","2","1","","Biswas, Mitrali; Dey, Sanchaita; Dhara, Suman; Panda, Sanjib; Lahiri, Goutam Kumar","Metal-ligand synergy driven functionalisation of alkylene linked bis(aldimine) on a diruthenium(II) platform. Cyclisation <i>versus</i> oxygenation.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2167","2180","10.1039/d3dt03730d","","x-ray","0.71073","MoKα","","0.0906","0.0677","","","0.1683","0.1878","","","","","","1.057","","","","has coordinates","289487","2024-02-04","11:51:45",""
"7714820","13.0632","0.0003","13.346","0.0002","14.6777","0.0002","64.066","0.002","72.589","0.002","82.031","0.002","2195.72","0.08","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C92 H84 Cl6 N4 O10 P4 Ru2 -","- C92 H84 Cl6 N4 O10 P4 Ru2 -","- C92 H84 Cl6 N4 O10 P4 Ru2 -","1","0.5","","Biswas, Mitrali; Dey, Sanchaita; Dhara, Suman; Panda, Sanjib; Lahiri, Goutam Kumar","Metal-ligand synergy driven functionalisation of alkylene linked bis(aldimine) on a diruthenium(II) platform. Cyclisation <i>versus</i> oxygenation.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2167","2180","10.1039/d3dt03730d","","x-ray","0.71073","MoKα","","0.0549","0.0473","","","0.1264","0.1335","","","","","","1.051","","","","has coordinates","289487","2024-02-04","11:51:45",""
"7714821","12.6627","0.0003","36.9819","0.0007","12.1433","0.0003","90","","103.949","0.002","90","","5518.9","0.2","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H52 Cl8 N4 O16 Ru2 -","- C39 H52 Cl8 N4 O16 Ru2 -","- C156 H208 Cl32 N16 O64 Ru8 -","4","1","","Biswas, Mitrali; Dey, Sanchaita; Dhara, Suman; Panda, Sanjib; Lahiri, Goutam Kumar","Metal-ligand synergy driven functionalisation of alkylene linked bis(aldimine) on a diruthenium(II) platform. Cyclisation <i>versus</i> oxygenation.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2167","2180","10.1039/d3dt03730d","","x-ray","0.71073","MoKα","","0.0752","0.0577","","","0.1558","0.1693","","","","","","1.031","","","","has coordinates","289487","2024-02-04","11:51:45",""
"7714822","14.3963","0.0003","21.3283","0.0005","27.875","0.0006","90","","91.558","0.002","90","","8555.8","0.3","273","30","273.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C89 H78 Cl2 N4 O10 P4 Ru2 -","- C89 H78 Cl2 N4 O10 P4 Ru2 -","- C356 H312 Cl8 N16 O40 P16 Ru8 -","4","1","","Biswas, Mitrali; Dey, Sanchaita; Dhara, Suman; Panda, Sanjib; Lahiri, Goutam Kumar","Metal-ligand synergy driven functionalisation of alkylene linked bis(aldimine) on a diruthenium(II) platform. Cyclisation <i>versus</i> oxygenation.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2167","2180","10.1039/d3dt03730d","","","0.71073","MoKα","","0.0722","0.0563","","","0.1501","0.1618","","","","","","1.037","","","","has coordinates","289487","2024-02-04","11:51:45",""
"7714823","10.508","0.002","14.06","0.003","18.959","0.004","90","","90","","90","","2801","1","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H48 Be Br N O Si -","- C25 H48 Be Br N O Si -","- C100 H192 Be4 Br4 N4 O4 Si4 -","4","1","","Hadlington, Terrance J.","An anionic beryllium hydride dimer with an exceedingly short Be⋯Be distance.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","882","886","10.1039/d3dt03976e","","","0.71073","MoKα","","0.062","0.0417","","","0.086","0.0928","","","","","","1.014","","","","has coordinates","289547","2024-02-04","12:07:18",""
"7714824","13.849","0.003","15.592","0.003","16.93","0.003","85.77","0.03","67.48","0.03","67.01","0.03","3096.4","1.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H111 Be2 Li N6 Si2 -","- C54 H111 Be2 Li N6 Si2 -","- C108 H222 Be4 Li2 N12 Si4 -","2","1","","Hadlington, Terrance J.","An anionic beryllium hydride dimer with an exceedingly short Be⋯Be distance.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","882","886","10.1039/d3dt03976e","","","0.71073","MoKα","","0.0547","0.046","","","0.1229","0.1293","","","","","","1.031","","","","has coordinates,has disorder","289547","2024-02-04","12:07:18",""
"7714825","26.54","0.005","10.95","0.002","19.23","0.004","90","","90","","90","","5588.5","1.9","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C48 H95 Be2 K N4 Si2 -","- C48 H95 Be2 K N4 Si2 -","- C192 H380 Be8 K4 N16 Si8 -","4","1","","Hadlington, Terrance J.","An anionic beryllium hydride dimer with an exceedingly short Be⋯Be distance.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","882","886","10.1039/d3dt03976e","","","0.71073","MoKα","","0.1128","0.0504","","","0.0988","0.1158","","","","","","0.889","","","","has coordinates","289547","2024-02-04","12:07:18",""
"7714826","22.5744","0.0009","22.5744","0.0009","12.3918","0.0007","90","","90","","90","","6314.9","0.5","173","","173","","","","","","","","","7","P 42/n m c :2","-P 4ac 2a","137","","","","- C72 H86 Br8 Cl4 N32 O29 Zn4 -","- C68 H60 Br8 Cl4 N32 O20 Zn4 -","- C136 H120 Br16 Cl8 N64 O40 Zn8 -","2","0.125","","Yuan, Juan; Lan, Hai-Rong; Xing, Ai-Ping; Zeng, Dai; Hao, Ya-Ting; Song, Jun-Ying; Lu, Jia-Xing; Zhang, Bin; Wang, Jing; Zhang, Zhen-Qiang","Novel tetranuclear grid-like Zn(II) complexes derived from dihydrazone pyrimidine derivatives as antitumor agents.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2193","2206","10.1039/d3dt02833j","","","1.34139","GaKα","","0.0757","0.0612","","","0.2026","0.2192","","","","","","1.103","","","","has coordinates,has disorder","289481","2024-02-04","11:49:43",""
"7714827","13.0319","0.0003","19.2008","0.0006","27.1911","0.0007","90","","90.818","0.002","90","","6803.1","0.3","173.15","","173.15","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C122 H113 Cl4 N33 O29 Zn4 -","- C122 H86 Cl4 N33 O29 Zn4 -","- C244 H172 Cl8 N66 O58 Zn8 -","2","1","","Yuan, Juan; Lan, Hai-Rong; Xing, Ai-Ping; Zeng, Dai; Hao, Ya-Ting; Song, Jun-Ying; Lu, Jia-Xing; Zhang, Bin; Wang, Jing; Zhang, Zhen-Qiang","Novel tetranuclear grid-like Zn(II) complexes derived from dihydrazone pyrimidine derivatives as antitumor agents.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2193","2206","10.1039/d3dt02833j","","","1.54184","CuKα","","0.1292","0.1019","","","0.2778","0.3126","","","","","","1.154","","","","has coordinates","289481","2024-02-04","11:49:43",""
"7714828","24.7935","0.0004","24.8747","0.0004","21.634","0.0004","90","","102.101","0.002","90","","13045.9","0.4","100.15","","100.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C95 H122 Cl8 N32 O50 Zn4 -","- C93 H72 Cl7 N32 O44 Zn4 -","- C372 H288 Cl28 N128 O176 Zn16 -","4","1","","Yuan, Juan; Lan, Hai-Rong; Xing, Ai-Ping; Zeng, Dai; Hao, Ya-Ting; Song, Jun-Ying; Lu, Jia-Xing; Zhang, Bin; Wang, Jing; Zhang, Zhen-Qiang","Novel tetranuclear grid-like Zn(II) complexes derived from dihydrazone pyrimidine derivatives as antitumor agents.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2193","2206","10.1039/d3dt02833j","","","1.54184","CuKα","","0.1061","0.1011","","","0.2956","0.3019","","","","","","1.086","","","","has coordinates","289481","2024-02-04","11:49:43",""
"7714829","8.817","0.003","9.727","0.003","12.564","0.004","94.751","0.012","105.422","0.011","99.772","0.012","1014.3","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H38 Br2 Cu2 N4 P2 -","- C36 H38 Br2 Cu2 N4 P2 -","- C36 H38 Br2 Cu2 N4 P2 -","1","0.5","","Alvarado-Castillo, Miguel A; Cortés-Mendoza, Salvador; Barquera-Lozada, José E; Delgado, Francisco; Toscano, Ruben A.; Ortega-Alfaro, M Carmen; López-Cortés, José G","Well-defined Cu(I) complexes based on [N,P]-pyrrole ligands catalyzed a highly endoselective 1,3-dipolar cycloaddition.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2231","2241","10.1039/d3dt03692h","","","0.71073","MoKα","","0.0679","0.0368","","","0.076","0.0864","","","","","","1.029","","","","has coordinates","289478","2024-02-04","11:48:41",""
"7714830","14.1029","0.0008","9.0827","0.0004","15.0051","0.0007","90","","108.427","0.002","90","","1823.49","0.16","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H54 Br2 Cu2 N4 P2 -","- C28 H54 Br2 Cu2 N4 P2 -","- C56 H108 Br4 Cu4 N8 P4 -","2","0.5","","Alvarado-Castillo, Miguel A; Cortés-Mendoza, Salvador; Barquera-Lozada, José E; Delgado, Francisco; Toscano, Ruben A.; Ortega-Alfaro, M Carmen; López-Cortés, José G","Well-defined Cu(I) complexes based on [N,P]-pyrrole ligands catalyzed a highly endoselective 1,3-dipolar cycloaddition.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2231","2241","10.1039/d3dt03692h","","","0.71073","MoKα","","0.1278","0.0632","","","0.1277","0.1499","","","","","","1.022","","","","has coordinates","289478","2024-02-04","11:48:42",""
"7714831","8.7269","0.0003","16.8301","0.0007","24.7526","0.001","90","","93.204","0.001","90","","3629.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H54 Br2 Cu2 N4 P2 -","- C32 H54 Br2 Cu2 N4 P2 -","- C128 H216 Br8 Cu8 N16 P8 -","4","1","","Alvarado-Castillo, Miguel A; Cortés-Mendoza, Salvador; Barquera-Lozada, José E; Delgado, Francisco; Toscano, Ruben A.; Ortega-Alfaro, M Carmen; López-Cortés, José G","Well-defined Cu(I) complexes based on [N,P]-pyrrole ligands catalyzed a highly endoselective 1,3-dipolar cycloaddition.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2231","2241","10.1039/d3dt03692h","","","0.71073","MoKα","","0.0403","0.0289","","","0.0636","0.0668","","","","","","1.021","","","","has coordinates","289478","2024-02-04","11:48:42",""
"7714832","48.617","0.002","12.8598","0.0005","15.4227","0.0006","90","","90","","90","","9642.3","0.7","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H46 Br2 Cu2 N4 P2 -","- C24 H46 Br2 Cu2 N4 P2 -","- C288 H552 Br24 Cu24 N48 P24 -","12","3","","Alvarado-Castillo, Miguel A; Cortés-Mendoza, Salvador; Barquera-Lozada, José E; Delgado, Francisco; Toscano, Ruben A.; Ortega-Alfaro, M Carmen; López-Cortés, José G","Well-defined Cu(I) complexes based on [N,P]-pyrrole ligands catalyzed a highly endoselective 1,3-dipolar cycloaddition.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2231","2241","10.1039/d3dt03692h","","","0.71073","MoKα","","0.0743","0.0616","","","0.1311","0.1356","","","","","","1.149","","","","has coordinates,has disorder","289478","2024-02-04","11:48:42",""
"7714833","6.2321","0.0002","10.9604","0.0003","35.1593","0.0009","90","","90","","90","","2401.6","0.12","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H9 N7 O8 -","- C6 H9 N7 O8 -","- C48 H72 N56 O64 -","8","1","","Lal, Sohan; Staples, Richard J.; Shreeve, Jean'ne M.","Nitroiminotriazole (NIT) based potential solid propellants: synthesis, characterization, and applications.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","903","907","10.1039/d3dt03954d","","x-ray","1.54184","CuKα","","0.0502","0.0432","","","0.1124","0.1168","","","","","","1.055","","","","has coordinates","289538","2024-02-04","12:04:55",""
"7714834","5.16088","0.00012","8.67413","0.00016","6.54739","0.00015","90","","106.652","0.002","90","","280.81","0.011","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C4 H10 N10 O6 -","- C4 H10 N10 O6 -","- C4 H10 N10 O6 -","1","0.5","","Lal, Sohan; Staples, Richard J.; Shreeve, Jean'ne M.","Nitroiminotriazole (NIT) based potential solid propellants: synthesis, characterization, and applications.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","903","907","10.1039/d3dt03954d","","x-ray","1.54184","CuKα","","0.0285","0.0283","","","0.0751","0.0754","","","","","","1.064","","","","has coordinates","289538","2024-02-04","12:04:55",""
"7714835","4.07223","0.00005","10.00743","0.00014","6.99455","0.00009","90","","104.204","0.0013","90","","276.331","0.006","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C2 H2 K N5 O2 -","- C2 H2 K N5 O2 -","- C4 H4 K2 N10 O4 -","2","1","","Lal, Sohan; Staples, Richard J.; Shreeve, Jean'ne M.","Nitroiminotriazole (NIT) based potential solid propellants: synthesis, characterization, and applications.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","903","907","10.1039/d3dt03954d","","x-ray","1.54184","CuKα","","0.0254","0.0253","","","0.0707","0.0708","","","","","","1.128","","","","has coordinates","289538","2024-02-04","12:04:55",""
"7714836","7.8069","0.00008","5.75687","0.00006","17.86698","0.00018","90","","94.2689","0.0009","90","","800.773","0.014","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 N4 O2 -","- C6 H12 N4 O2 -","- C24 H48 N16 O8 -","4","1","","Lal, Sohan; Staples, Richard J.; Shreeve, Jean'ne M.","Nitroiminotriazole (NIT) based potential solid propellants: synthesis, characterization, and applications.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","903","907","10.1039/d3dt03954d","","x-ray","1.54184","CuKα","","0.0335","0.0325","","","0.0812","0.082","","","","","","1.074","","","","has coordinates","289538","2024-02-04","12:04:55",""
"7714837","10.785","0.0006","18.8928","0.0012","27.6382","0.0015","90","","90","","90","","5631.5","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H40 Cl2 P2 Ru -","- C28 H40 Cl2 P2 Ru -","- C224 H320 Cl16 P16 Ru8 -","8","1","","Donnelly, Laurie J.; Lin, Jian-Bin; Gelfand, Benjamin S.; Chang, Chia Yun; Piers, Warren E.","Ruthenium polyhydrides supported by rigid PCP pincer ligands: dynamic behaviour and reactions with CO<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1862","1869","10.1039/d3dt04014c","","","0.71073","MoKα","","0.0854","0.0455","","","0.0899","0.1136","","","","","","1.138","","","","has coordinates,has disorder","289496","2024-02-04","11:55:28",""
"7714838","9.0549","0.0005","17.2496","0.0009","17.9774","0.0009","90","","90","","90","","2808","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 Cl P2 Ru -","- C28 H40 Cl P2 Ru -","- C112 H160 Cl4 P8 Ru4 -","4","1","","Donnelly, Laurie J.; Lin, Jian-Bin; Gelfand, Benjamin S.; Chang, Chia Yun; Piers, Warren E.","Ruthenium polyhydrides supported by rigid PCP pincer ligands: dynamic behaviour and reactions with CO<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1862","1869","10.1039/d3dt04014c","","","1.54178","CuKα","","0.1072","0.0715","","","0.1616","0.1805","","","","","","1.011","","","","has coordinates,has disorder","289496","2024-02-04","11:55:29",""
"7714839","10.9417","0.0007","14.5639","0.0011","17.1311","0.001","106.789","0.004","90.328","0.004","91.71","0.005","2612.1","0.3","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H86 P4 Ru2 -","- C56 H86 P4 Ru2 -","- C112 H172 P8 Ru4 -","2","1","","Donnelly, Laurie J.; Lin, Jian-Bin; Gelfand, Benjamin S.; Chang, Chia Yun; Piers, Warren E.","Ruthenium polyhydrides supported by rigid PCP pincer ligands: dynamic behaviour and reactions with CO<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1862","1869","10.1039/d3dt04014c","","","1.54178","CuKα","","0.0964","0.0824","","","0.1968","0.2073","","","","","","0.987","","","","has coordinates","289496","2024-02-04","11:55:29",""
"7714840","19.0383","0.001","9.7315","0.0005","18.7775","0.0009","90","","104.432","0.002","90","","3369.1","0.3","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H50 Cl2 N2 P2 Ru -","- C32 H50 Cl2 N2 P2 Ru -","- C128 H200 Cl8 N8 P8 Ru4 -","4","1","","Donnelly, Laurie J.; Lin, Jian-Bin; Gelfand, Benjamin S.; Chang, Chia Yun; Piers, Warren E.","Ruthenium polyhydrides supported by rigid PCP pincer ligands: dynamic behaviour and reactions with CO<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1862","1869","10.1039/d3dt04014c","","","0.71073","MoKα","","0.0509","0.0338","","","0.071","0.079","","","","","","1.037","","","","has coordinates","289496","2024-02-04","11:55:29",""
"7714841","11.3244","0.0006","10.9613","0.0005","31.7604","0.0016","90","","98.182","0.001","90","","3902.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H62 Cl N2 P2 Ru -","- C38 H62 Cl N2 P2 Ru -","- C152 H248 Cl4 N8 P8 Ru4 -","4","1","","Donnelly, Laurie J.; Lin, Jian-Bin; Gelfand, Benjamin S.; Chang, Chia Yun; Piers, Warren E.","Ruthenium polyhydrides supported by rigid PCP pincer ligands: dynamic behaviour and reactions with CO<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1862","1869","10.1039/d3dt04014c","","","0.71073","MoKα","","0.0715","0.046","","","0.1088","0.1235","","","","","","1.025","","","","has coordinates,has disorder","289496","2024-02-04","11:55:29",""
"7714842","11.5021","0.0002","30.8326","0.0007","33.7646","0.0006","90","","93.46","0.001","90","","11952.4","0.4","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H52 N2 O2 P2 Ru -","- C33 H52 N2 O2 P2 Ru -","- C396 H624 N24 O24 P24 Ru12 -","12","3","","Donnelly, Laurie J.; Lin, Jian-Bin; Gelfand, Benjamin S.; Chang, Chia Yun; Piers, Warren E.","Ruthenium polyhydrides supported by rigid PCP pincer ligands: dynamic behaviour and reactions with CO<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1862","1869","10.1039/d3dt04014c","","","1.54178","CuKα","","0.1311","0.0994","","","0.2346","0.2499","","","","","","1.031","","","","has coordinates,has disorder","289496","2024-02-04","11:55:29",""
"7714843","22.9521","0.0016","16.3988","0.0009","25.3602","0.001","90","","107.262","0.002","90","","9115.3","0.9","173","","173","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C65 H102 N4 O3 P4 Ru2 -","- C65 H102 N4 O3 P4 Ru2 -","- C260 H408 N16 O12 P16 Ru8 -","4","0.5","","Donnelly, Laurie J.; Lin, Jian-Bin; Gelfand, Benjamin S.; Chang, Chia Yun; Piers, Warren E.","Ruthenium polyhydrides supported by rigid PCP pincer ligands: dynamic behaviour and reactions with CO<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1862","1869","10.1039/d3dt04014c","","","1.54178","CuKα","","0.0881","0.0767","","","0.2045","0.2204","","","","","","1.067","","","","has coordinates,has disorder","289496","2024-02-04","11:55:29",""
"7714844","16.7299","0.0004","38.8794","0.0011","49.0089","0.0012","90","","90","","90","","31877.8","1.4","173","","173","","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C64 H104 N6 P4 Ru2 -","- C64 H104 N6 P4 Ru2 -","- C1024 H1664 N96 P64 Ru32 -","16","0.5","","Donnelly, Laurie J.; Lin, Jian-Bin; Gelfand, Benjamin S.; Chang, Chia Yun; Piers, Warren E.","Ruthenium polyhydrides supported by rigid PCP pincer ligands: dynamic behaviour and reactions with CO<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1862","1869","10.1039/d3dt04014c","","x-ray","1.54178","CuKα","","0.1","0.0835","","","0.1954","0.2067","","","","","","1.155","","","","has coordinates,has disorder","289496","2024-02-04","11:55:29",""
"7714845","14.317","0.001","18.4788","0.0014","16.6261","0.0012","90","","104.813","0.003","90","","4252.4","0.5","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Howard UniversityUnited States of America","","- C35 H48 Ca Cl2 Mn2 N2 O13 -","- C35 H48 Ca Cl2 Mn2 N2 O13 -","- C140 H192 Ca4 Cl8 Mn8 N8 O52 -","4","1","","Bhattacharya, Priyabrata; Bag, Riya; Butcher, Ray J.; Behera, Snehanjali; Mondal, Biswajit; Goswami, Sanchita","Chemistry of a series of heterobimetallic complexes MnIII2(Ca<sup>II</sup>/Sr<sup>II</sup>)X<sub>2</sub> (X = Cl<sup>-</sup>, Br<sup>-</sup>).","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2324","2332","10.1039/d3dt01858j","","","0.71073","MoKα","","0.0567","0.0474","","","0.1422","0.1526","","","","","","1.068","","","","has coordinates,has disorder","289480","2024-02-04","11:49:16",""
"7714846","14.345","0.003","18.298","0.004","16.876","0.003","90","","105.234","0.002","90","","4274","1.5","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Howard UniversityUnited States of America","","- C33 H40 Cl2 Mn2 N2 O11 Sr -","- C33 H40 Cl2 Mn2 N2 O11 Sr -","- C132 H160 Cl8 Mn8 N8 O44 Sr4 -","4","1","","Bhattacharya, Priyabrata; Bag, Riya; Butcher, Ray J.; Behera, Snehanjali; Mondal, Biswajit; Goswami, Sanchita","Chemistry of a series of heterobimetallic complexes MnIII2(Ca<sup>II</sup>/Sr<sup>II</sup>)X<sub>2</sub> (X = Cl<sup>-</sup>, Br<sup>-</sup>).","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2324","2332","10.1039/d3dt01858j","","","0.71073","MoKα","","0.0853","0.0404","","","0.1072","0.142","","","","","","1.149","","","","has coordinates,has disorder","289480","2024-02-04","11:49:17",""
"7714847","14.2078","0.0009","18.1152","0.0013","16.8416","0.0011","90","","104.47","0.003","90","","4197.1","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H40 Br2 Mn2 N2 O11 Sr -","- C33 H40 Br2 Mn2 N2 O11 Sr -","- C132 H160 Br8 Mn8 N8 O44 Sr4 -","4","1","","Bhattacharya, Priyabrata; Bag, Riya; Butcher, Ray J.; Behera, Snehanjali; Mondal, Biswajit; Goswami, Sanchita","Chemistry of a series of heterobimetallic complexes MnIII2(Ca<sup>II</sup>/Sr<sup>II</sup>)X<sub>2</sub> (X = Cl<sup>-</sup>, Br<sup>-</sup>).","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2324","2332","10.1039/d3dt01858j","","","0.71073","MoKα","","0.0829","0.0407","","","0.0985","0.1178","","","","","","1.022","","","","has coordinates","289480","2024-02-04","11:49:25",""
"7714848","14.2052","0.0013","17.5541","0.0015","16.6179","0.0016","90","","103.82","0.003","90","","4023.9","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C131.29 H171.18 Br8.7 Ca4 Mn8 N8 O50.3 -","- C131.284 H171.136 Br8.716 Ca4 Mn8 N8 O50.284 -","- C131.284 H171.136 Br8.716 Ca4 Mn8 N8 O50.284 -","1","0.25","","Bhattacharya, Priyabrata; Bag, Riya; Butcher, Ray J.; Behera, Snehanjali; Mondal, Biswajit; Goswami, Sanchita","Chemistry of a series of heterobimetallic complexes MnIII2(Ca<sup>II</sup>/Sr<sup>II</sup>)X<sub>2</sub> (X = Cl<sup>-</sup>, Br<sup>-</sup>).","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2324","2332","10.1039/d3dt01858j","","","0.71073","MoKα","","0.1166","0.0872","","","0.2339","0.261","","","","","","1.101","","","","has coordinates,has disorder","289480","2024-02-04","11:49:25",""
"7714849","6.1145","0.0005","8.7498","0.0008","21.6564","0.0019","90","","94.974","0.006","90","","1154.27","0.17","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 N10 O6 -","- C5 H6 N10 O6 -","- C20 H24 N40 O24 -","4","1","","Lin, Chenchen; Yi, Pingping; Yi, Xiaoyi; He, Piao; Wang, Tingwei; Zhang, Jianguo","Synthesis and detonation characters of 3,4,5-1<i>H</i>-trinitropyrazole and its nitrogen-rich energetic salts.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1430","1433","10.1039/d3dt03683a","","","0.71073","MoKα","","0.0562","0.0382","","","0.0921","0.1021","","","","","","1.025","","","","has coordinates","289509","2024-02-04","11:58:35",""
"7714850","11.6751","0.0007","13.8406","0.0009","13.9768","0.0009","76.085","0.003","65.374","0.002","68.336","0.002","1898","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H51 Cu N2 O11 Tb -","- C36 H51 Cu N2 O11 Tb -","- C72 H102 Cu2 N4 O22 Tb2 -","2","1","","Panja, Anangamohan; Paul, Sagar; Moreno-Pineda, Eufemio; Herchel, Radovan; Jana, Narayan Ch; Brandão, Paula; Novitchi, Ghenadie; Wernsdorfer, Wolfgang","Insight into ferromagnetic interactions in Cu<sup>II</sup>-Ln<sup>III</sup> dimers with a compartmental ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2501","2511","10.1039/d3dt03557c","","","0.71073","MoKα","","0.0597","0.0439","","","0.1087","0.1176","","","","","","1.07","","","","has coordinates,has disorder","290170","2024-03-04","20:15:50",""
"7714851","11.6733","0.0008","13.8531","0.001","13.9469","0.001","76.134","0.002","65.37","0.002","68.404","0.002","1896.3","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H51 Cu Dy N2 O11 -","- C36 H51 Cu Dy N2 O11 -","- C72 H102 Cu2 Dy2 N4 O22 -","2","1","","Panja, Anangamohan; Paul, Sagar; Moreno-Pineda, Eufemio; Herchel, Radovan; Jana, Narayan Ch; Brandão, Paula; Novitchi, Ghenadie; Wernsdorfer, Wolfgang","Insight into ferromagnetic interactions in Cu<sup>II</sup>-Ln<sup>III</sup> dimers with a compartmental ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2501","2511","10.1039/d3dt03557c","","","0.71073","MoKα","","0.0423","0.0307","","","0.0699","0.0739","","","","","","1.028","","","","has coordinates","290170","2024-03-04","20:15:51",""
"7714852","11.6842","0.0006","13.9182","0.0008","13.9359","0.0008","75.986","0.002","65.33","0.002","68.306","0.002","1903.19","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H51 Cu Gd N2 O11 -","- C36 H51 Cu Gd N2 O11 -","- C72 H102 Cu2 Gd2 N4 O22 -","2","1","","Panja, Anangamohan; Paul, Sagar; Moreno-Pineda, Eufemio; Herchel, Radovan; Jana, Narayan Ch; Brandão, Paula; Novitchi, Ghenadie; Wernsdorfer, Wolfgang","Insight into ferromagnetic interactions in Cu<sup>II</sup>-Ln<sup>III</sup> dimers with a compartmental ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2501","2511","10.1039/d3dt03557c","","","0.71073","MoKα","","0.0291","0.0236","","","0.0549","0.0569","","","","","","1.088","","","","has coordinates","290170","2024-03-04","20:15:51",""
"7714853","11.6842","0.0012","13.6822","0.0014","14.1186","0.0013","86.239","0.003","65.79","0.003","68.523","0.003","1906.1","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H51 Cu Er N2 O11 -","- C36 H51 Cu Er N2 O11 -","- C72 H102 Cu2 Er2 N4 O22 -","2","1","","Panja, Anangamohan; Paul, Sagar; Moreno-Pineda, Eufemio; Herchel, Radovan; Jana, Narayan Ch; Brandão, Paula; Novitchi, Ghenadie; Wernsdorfer, Wolfgang","Insight into ferromagnetic interactions in Cu<sup>II</sup>-Ln<sup>III</sup> dimers with a compartmental ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2501","2511","10.1039/d3dt03557c","","","0.71073","MoKα","","0.015","0.0144","","","0.0378","0.0381","","","","","","1.065","","","","has coordinates,has disorder","290170","2024-03-04","20:15:51",""
"7714854","26.2188","0.0018","12.3812","0.0008","16.2184","0.0011","90","","99.153","0.002","90","","5197.8","0.6","203","2","203","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H29 Cl N2 O2 Ru -","- C29 H29 Cl N2 O2 Ru -","- C232 H232 Cl8 N16 O16 Ru8 -","8","1","","Li, Heng; Wang, Ke; Yang, Lin; Luo, Yu-Zhou; Yao, Zi-Jian","Half-sandwich ruthenium complexes with acylhydrazone ligands: synthesis and catalytic activity in the <i>N</i>-alkylation of hydrazides.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2797","2806","10.1039/d3dt04078j","","","1.54178","CuKα","","0.0361","0.035","","","0.1022","0.1035","","","","","","1.042","","","","has coordinates","290179","2024-03-04","20:17:59",""
"7714856","5.8691","0.0003","7.3775","0.0004","11.0578","0.0007","90","","102.454","0.006","90","","467.53","0.05","100.15","","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H7 Cu N2 S -","- C10 H7 Cu N2 S -","- C20 H14 Cu2 N4 S2 -","2","1","","Nishiyama, Tomoki; Kitoh-Nishioka, Hirotaka; Tanaka, Senku; Maekawa, Masahiko; Kuroda-Sowa, Takayoshi; Yoshida, Masaki; Kato, Masako; Okubo, Takashi","A copper(I) thiocyanate-based photoresponsive semiconducting 2D coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1445","1448","10.1039/d3dt03125j","","x-ray","0.71073","MoKα","","0.0329","0.0312","","","0.074","0.0751","","","","","","1.038","","","","has coordinates","289502","2024-02-04","11:56:39",""
"7714857","13.642","0.0012","21.8159","0.0017","10.0776","0.0009","90","","90","","90","","2999.2","0.4","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H22 Co N2 O7 -","- C28 H22 Co N2 O7 -","- C112 H88 Co4 N8 O28 -","4","1","","Liu, Nana; Liu, Tingting; Liu, Guangning; Mi, Xiuna; Li, Yunwu; Yang, Lu; Zhou, Zhen; Wang, Suna","Two isostructural Zn/Co-MOFs with penetrating structures: multifunctional properties of both luminescence sensing and conversion of CO<sub>2</sub> into cyclic carbonates.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3654","3665","10.1039/d3dt03466f","","","0.71073","MoKα","","0.0573","0.0367","","","0.0624","0.0677","","","","","","0.981","","","","has coordinates","290158","2024-03-04","20:11:49",""
"7714858","13.6458","0.0013","21.7476","0.0019","10.1293","0.0009","90","","90","","90","","3006","0.5","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H22 N2 O7 Zn -","- C28 H22 N2 O7 Zn -","- C112 H88 N8 O28 Zn4 -","4","1","","Liu, Nana; Liu, Tingting; Liu, Guangning; Mi, Xiuna; Li, Yunwu; Yang, Lu; Zhou, Zhen; Wang, Suna","Two isostructural Zn/Co-MOFs with penetrating structures: multifunctional properties of both luminescence sensing and conversion of CO<sub>2</sub> into cyclic carbonates.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3654","3665","10.1039/d3dt03466f","","","0.71073","MoKα","","0.046","0.0324","","","0.0633","0.0666","","","","","","1.054","","","","has coordinates","290158","2024-03-04","20:11:50",""
"7714859","10.362","0.002","6.6968","0.0011","39.001","0.008","90","","97.397","0.011","90","","2683.8","0.9","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Monoclinic","","- C104 H152 B4 N20 -","- C104 H152 B4 N20 -","- C104 H152 B4 N20 -","1","0.25","","Major, Christopher J.; Chen, Shi-Ming; Stephan, Douglas W.","Boron diamide derivatives containing N-N and N-P molecular fragments.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2159","2166","10.1039/d3dt03665k","","","0.71","MoKα","","0.0982","0.0679","","","0.1378","0.1496","","","","","","1.095","","","","has coordinates","289488","2024-02-04","11:52:31",""
"7714860","19.346","0.006","6.859","0.002","19.984","0.007","90","","106.168","0.007","90","","2546.9","1.4","149.99","","149.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H41 B N4 -","- C26 H41 B N4 -","- C104 H164 B4 N16 -","4","1","","Major, Christopher J.; Chen, Shi-Ming; Stephan, Douglas W.","Boron diamide derivatives containing N-N and N-P molecular fragments.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2159","2166","10.1039/d3dt03665k","","","0.71073","MoKα","","0.1068","0.0544","","","0.1198","0.148","","","","","","1.008","","","","has coordinates","289488","2024-02-04","11:52:31",""
"7714861","10.0999","0.0006","16.8384","0.0011","19.342","0.001","90","","90","","90","","3289.4","0.3","149.99","","149.99","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H45 B Cl2 N3 P Si -","- C29 H45 B Cl2 N3 P Si -","- C116 H180 B4 Cl8 N12 P4 Si4 -","4","1","","Major, Christopher J.; Chen, Shi-Ming; Stephan, Douglas W.","Boron diamide derivatives containing N-N and N-P molecular fragments.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2159","2166","10.1039/d3dt03665k","","","0.71073","MoKα","","0.0473","0.0341","","","0.0689","0.0749","","","","","","1.069","","","","has coordinates","289488","2024-02-04","11:52:31",""
"7714862","13.3041","0.0012","12.6196","0.0011","33.56","0.003","90","","97.9","0.006","90","","5581","0.9","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H75 B2 Cl2 N7 P2 -","- C54 H75 B2 Cl2 N7 P2 -","- C216 H300 B8 Cl8 N28 P8 -","4","1","","Major, Christopher J.; Chen, Shi-Ming; Stephan, Douglas W.","Boron diamide derivatives containing N-N and N-P molecular fragments.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2159","2166","10.1039/d3dt03665k","","","0.71073","MoKα","","0.0807","0.047","","","0.0989","0.1159","","","","","","1.0533","","","","has coordinates","289488","2024-02-04","11:52:31",""
"7714863","10.5191","0.0002","22.8961","0.0004","18.6336","0.0003","90","","99.1085","0.0019","90","","4431.24","0.14","133","","133","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H74 Fe O Si8 -","- C28 H74 Fe O Si8 -","- C112 H296 Fe4 O4 Si32 -","4","1","","Ishii, Reon; Sunada, Yusuke","Planar three-coordinate iron(II) complexes supported by sterically demanding -Si(SiMe<sub>3</sub>)<sub>2</sub>(SiMe<sub>2</sub><sup><i>t</i></sup>Bu) ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1421","1424","10.1039/d3dt04130a","","","0.71075","MoKα","","0.0341","0.0295","","","0.077","0.0795","","","","","","1.036","","","","has coordinates","289507","2024-02-04","11:58:20",""
"7714864","10.4392","0.0016","11.7999","0.0018","20.072","0.003","100.822","0.007","94.29","0.007","101.043","0.007","2367.8","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H78 Fe N2 Si8 -","- C31 H78 Fe N2 Si8 -","- C62 H156 Fe2 N4 Si16 -","2","1","","Ishii, Reon; Sunada, Yusuke","Planar three-coordinate iron(II) complexes supported by sterically demanding -Si(SiMe<sub>3</sub>)<sub>2</sub>(SiMe<sub>2</sub><sup><i>t</i></sup>Bu) ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1421","1424","10.1039/d3dt04130a","","","0.4144","synchrotron","","0.0335","0.0308","","","0.0794","0.0815","","","","","","1.026","","","","has coordinates","289507","2024-02-04","11:58:20",""
"7714865","8.6913","0.0008","11.5969","0.0012","13.7677","0.0014","71.972","0.005","85.744","0.006","74.916","0.005","1274.1","0.2","115","","115","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H28 F6 N6 P Rh -","- C26 H28 F6 N6 P Rh -","- C52 H56 F12 N12 P2 Rh2 -","2","1","","Sugimoto, Hideki; Sakaida, Megumu; Shiota, Yoshihito; Miyanishi, Mayuko; Morimoto, Yuma; Yoshizawa, Kazunari; Itoh, Shinobu","A rhodium(II)/rhodium(III) redox couple for C-H bond amination with alkylazides: a rhodium(III)-nitrenoid intermediate with a tetradentate [14]-macrocyclic ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1607","1615","10.1039/d3dt03429a","","x-ray","0.71075","MoKα","","0.0344","0.028","","","0.0638","0.0662","","","","","","1.039","","","","has coordinates","289504","2024-02-04","11:57:13",""
"7714866","13.4897","0.0013","20.8788","0.0018","18.4267","0.0019","90","","98.183","0.007","90","","5137","0.9","115","","115","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H27 F6 N5 P Rh -","- C27 H27 F6 N5 P Rh -","- C216 H216 F48 N40 P8 Rh8 -","8","1","","Sugimoto, Hideki; Sakaida, Megumu; Shiota, Yoshihito; Miyanishi, Mayuko; Morimoto, Yuma; Yoshizawa, Kazunari; Itoh, Shinobu","A rhodium(II)/rhodium(III) redox couple for C-H bond amination with alkylazides: a rhodium(III)-nitrenoid intermediate with a tetradentate [14]-macrocyclic ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1607","1615","10.1039/d3dt03429a","","x-ray","0.71075","MoKα","","0.0872","0.0618","","","0.1263","0.1365","","","","","","1.112","","","","has coordinates","289504","2024-02-04","11:57:22",""
"7714867","11.3668","0.0003","11.3668","0.0003","6.27238","0.00002","90","","90","","90","","810.42","0.03","298","","298","","","","101.325","","","","","5","P -4 21 c","P -4 2n","114","Zinc-Silver(Imidazol)","","","- C12 H12 Ag2 N8 Zn -","- C12 H12 Ag2 N8 Zn -","- C24 H24 Ag4 N16 Zn2 -","2","0.25","","Lopresti, Mattia; Kurowski, Łukasz; Palin, Luca; Milanesio, Marco; Siedzielnik, Magdalena; Gutmańska, Karolina; Dobrenko, Adriana; Klimczuk, Tomasz; Pawelczyk, Ewelina; Dołęga, Anna","New heterometallic Co/Zn, Ag/Co, and Ag/Zn imidazolates: structural characterization and catalytic activity in the oxidation of organic compounds.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2833","2847","10.1039/d3dt03211f","","x-ray","1.54175","CuKα","","","","","","","","","","","","","","","","","has coordinates","290178","2024-03-04","20:17:52",""
"7714868","11.33","0.0004","11.33","0.0004","6.2085","0.0002","90","","90","","90","","796.98","0.05","298","","298","","","","101.325","","","","","5","P -4 21 c","P -4 2n","114","Cobalt-Silver(Imidazol)","Cobalt-Silver(Imidazol)","","- C12 H12 Ag2 Co N8 -","- C12 H12 Ag2 Co N8 -","- C24 H24 Ag4 Co2 N16 -","2","0.25","","Lopresti, Mattia; Kurowski, Łukasz; Palin, Luca; Milanesio, Marco; Siedzielnik, Magdalena; Gutmańska, Karolina; Dobrenko, Adriana; Klimczuk, Tomasz; Pawelczyk, Ewelina; Dołęga, Anna","New heterometallic Co/Zn, Ag/Co, and Ag/Zn imidazolates: structural characterization and catalytic activity in the oxidation of organic compounds.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2833","2847","10.1039/d3dt03211f","","x-ray","1.54175","CuKα","","","","","","","","","","","","","","","","","has coordinates","290178","2024-03-04","20:17:52",""
"7714869","23.5344","0.0001","23.5344","0.0001","12.4751","0.0006","90","0.008","90","0.008","90","0.008","6909.6","0.3","298","","298","","","","101.325","","","","","5","I 41 c d","I 4bw -2c","110","Zinc/Cobalt(Imidazol)2","Zinc/Cobalt(Imidazol)2","","- C12 H12 Co0.13 N8 Zn1.87 -","- C12 H12 Co0.1332 N8 Zn1.8666 -","- C192 H192 Co2.1312 N128 Zn29.8656 -","16","1","","Lopresti, Mattia; Kurowski, Łukasz; Palin, Luca; Milanesio, Marco; Siedzielnik, Magdalena; Gutmańska, Karolina; Dobrenko, Adriana; Klimczuk, Tomasz; Pawelczyk, Ewelina; Dołęga, Anna","New heterometallic Co/Zn, Ag/Co, and Ag/Zn imidazolates: structural characterization and catalytic activity in the oxidation of organic compounds.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2833","2847","10.1039/d3dt03211f","","x-ray","1.54175","CuKα","","","","","","","","","","","","","","","","","has coordinates","290178","2024-03-04","20:17:52",""
"7714870","9.57345","0.00016","12.02833","0.00019","30.3122","0.0004","90","","92.7992","0.0014","90","","3486.36","0.09","293","","293","","","","","","","","","7","P 1 21 1","P 2yb","4","","Co(SS-cth)(phendiox)AsF6_300K","","- C31 H47 As Co F6 N4 O2.5 -","- C31 H44 As Co F6 N4 O2.5 -","- C124 H176 As4 Co4 F24 N16 O10 -","4","2","","Xu, Wen-Huang; Huang, Yu-Bo; Zheng, Wen-Wei; Su, Sheng-Qun; Kanegawa, Shinji; Wu, Shu-Qi; Sato, Osamu","Photo-induced valence tautomerism and polarization switching in mononuclear cobalt complexes with an enantiopure chiral ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2512","2516","10.1039/d3dt03915c","","","0.41195","synchrotron","","0.1643","0.0802","","","0.1656","0.1963","","","","","","1.047","","","","has coordinates","295543","2024-10-18","15:17:10",""
"7714871","9.51352","0.0001","11.92241","0.00011","30.335","0.0003","90","","93.7791","0.0009","90","","3433.24","0.06","78","","78","","","","","","","","","7","P 1 21 1","P 2yb","4","","Co(SS-cth)(phendiox)AsF6_78K","","- C31 H47 As Co F6 N4 O2.5 -","- C31 H44 As Co F6 N4 O2.5 -","- C124 H176 As4 Co4 F24 N16 O10 -","4","2","","Xu, Wen-Huang; Huang, Yu-Bo; Zheng, Wen-Wei; Su, Sheng-Qun; Kanegawa, Shinji; Wu, Shu-Qi; Sato, Osamu","Photo-induced valence tautomerism and polarization switching in mononuclear cobalt complexes with an enantiopure chiral ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2512","2516","10.1039/d3dt03915c","","","0.4171","synchrotron","","0.1208","0.0886","","","0.178","0.1916","","","","","","1.056","","","","has coordinates","294865","2024-09-24","08:56:35",""
"7714872","15.9398","0.0004","6.2656","0.0002","25.0585","0.0008","90","","96.419","0.003","90","","2486.96","0.13","160","0.2","160","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H43 N P2 -","- C23 H43 N P2 -","- C92 H172 N4 P8 -","4","0.5","","Besmer, Manuel Luca; Schwitter, Flurina; Battistin, Federica; Braband, Henrik; Fox, Thomas; Spingler, Bernhard; Alberto, Roger","Induced <i>fac</i>-<i>mer</i> rearrangements in {M(CO)<sub>3</sub>}<sup>+</sup> complexes (M = Re, <sup>99(m)</sup>Tc) by a PNP ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1434","1438","10.1039/d3dt03992g","","x-ray","1.54184","CuKα","","0.0583","0.0563","","","0.1482","0.1508","","","","","","1.079","","","","has coordinates","289501","2024-02-04","11:56:33",""
"7714873","8.87921","0.00007","12.57039","0.00013","27.5441","0.0002","85.4844","0.0007","89.7211","0.0006","89.6147","0.0008","3064.7","0.05","159.99","0.1","159.99","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C52 H86 B1.95 Br0.05 F7.8 N2 O6 P4 Re2 -","- C52 H86 B1.95 Br0.05 F7.8 N2 O6 P4 Re2 -","- C104 H172 B3.9 Br0.1 F15.6 N4 O12 P8 Re4 -","2","1","","Besmer, Manuel Luca; Schwitter, Flurina; Battistin, Federica; Braband, Henrik; Fox, Thomas; Spingler, Bernhard; Alberto, Roger","Induced <i>fac</i>-<i>mer</i> rearrangements in {M(CO)<sub>3</sub>}<sup>+</sup> complexes (M = Re, <sup>99(m)</sup>Tc) by a PNP ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1434","1438","10.1039/d3dt03992g","","x-ray","1.54184","CuKα","","0.042","0.0383","","","0.1041","0.1063","","","","","","1.086","","","","has coordinates,has disorder","289501","2024-02-04","11:56:33",""
"7714874","8.4694","0.0002","12.7901","0.0002","15.8962","0.0003","105.675","0.002","104.744","0.002","92.815","0.002","1590.42","0.06","159.99","0.1","159.99","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C26 H43 Br0.28 F4.34 N O3 P2.73 Re -","- C26 H43 Br0.278 F4.332 N O3 P2.722 Re -","- C52 H86 Br0.556 F8.664 N2 O6 P5.444 Re2 -","2","1","","Besmer, Manuel Luca; Schwitter, Flurina; Battistin, Federica; Braband, Henrik; Fox, Thomas; Spingler, Bernhard; Alberto, Roger","Induced <i>fac</i>-<i>mer</i> rearrangements in {M(CO)<sub>3</sub>}<sup>+</sup> complexes (M = Re, <sup>99(m)</sup>Tc) by a PNP ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1434","1438","10.1039/d3dt03992g","","x-ray","1.54184","CuKα","","0.0609","0.0558","","","0.1477","0.1523","","","","","","1.082","","","","has coordinates,has disorder","289501","2024-02-04","11:56:33",""
"7714875","16.6643","0.0003","7.0449","0.0001","29.6513","0.0006","90","","102.168","0.002","90","","3402.81","0.11","159.99","0.1","159.99","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","[Tc(CO)3Cl(terPy)]","","","- C18 H11 Cl N3 O3 Tc -","- C18 H11 Cl N3 O3 Tc -","- C144 H88 Cl8 N24 O24 Tc8 -","8","1","","Besmer, Manuel Luca; Schwitter, Flurina; Battistin, Federica; Braband, Henrik; Fox, Thomas; Spingler, Bernhard; Alberto, Roger","Induced <i>fac</i>-<i>mer</i> rearrangements in {M(CO)<sub>3</sub>}<sup>+</sup> complexes (M = Re, <sup>99(m)</sup>Tc) by a PNP ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1434","1438","10.1039/d3dt03992g","","x-ray","0.71073","MoKα","","0.0204","0.019","","","0.0473","0.0479","","","","","","1.069","","","","has coordinates","289501","2024-02-04","11:56:33",""
"7714876","8.3859","0.0001","12.8905","0.0001","15.6784","0.0001","106.006","0.001","103.681","0.001","92.659","0.001","1571.54","0.03","159.99","0.1","159.99","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C26 H43 Cl0.4 F3.6 N O3 P2.6 Tc -","- C26 H43 Cl0.4 F3.6 N O3 P2.6 Tc -","- C52 H86 Cl0.8 F7.2 N2 O6 P5.2 Tc2 -","2","1","","Besmer, Manuel Luca; Schwitter, Flurina; Battistin, Federica; Braband, Henrik; Fox, Thomas; Spingler, Bernhard; Alberto, Roger","Induced <i>fac</i>-<i>mer</i> rearrangements in {M(CO)<sub>3</sub>}<sup>+</sup> complexes (M = Re, <sup>99(m)</sup>Tc) by a PNP ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1434","1438","10.1039/d3dt03992g","","x-ray","1.54184","CuKα","","0.056","0.0555","","","0.1747","0.1753","","","","","","1.056","","","","has coordinates,has disorder","289501","2024-02-04","11:56:33",""
"7714877","8.438","0.0002","9.6908","0.0002","27.1602","0.0004","96.43","0.001","97.031","0.001","104.92","0.002","2105.92","0.08","159.99","0.1","160.15","","","","","","","","","8","P -1","-P 1","2","","","","- C36 H22 Br0.26 F3.49 N6 O9.48 P1.74 Re2 -","- C36 H22 Br0.258 F3.484 N6 O9.484 P1.742 Re2 -","- C72 H44 Br0.516 F6.968 N12 O18.968 P3.484 Re4 -","2","1","","Besmer, Manuel Luca; Schwitter, Flurina; Battistin, Federica; Braband, Henrik; Fox, Thomas; Spingler, Bernhard; Alberto, Roger","Induced <i>fac</i>-<i>mer</i> rearrangements in {M(CO)<sub>3</sub>}<sup>+</sup> complexes (M = Re, <sup>99(m)</sup>Tc) by a PNP ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1434","1438","10.1039/d3dt03992g","","","1.54184","CuKα","","0.0442","0.0415","","","0.1047","0.1066","","","","","","1.074","","","","has coordinates,has disorder","289501","2024-02-04","11:56:33",""
"7714878","15.8651","0.001","9.0452","0.0004","16.4734","0.0012","90","","118.245","0.009","90","","2082.5","0.3","150","0.1","150","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 Ag Cl6 F6 N4 O2 Sb -","- C36 H30 Ag Cl6 F6 N4 O2 Sb -","- C72 H60 Ag2 Cl12 F12 N8 O4 Sb2 -","2","0.5","","Stanković, Mia; Kljun, Jakob; Stevanović, Nevena Lj; Lazic, Jelena; Skaro Bogojevic, Sanja; Vojnovic, Sandra; Zlatar, Matija; Nikodinovic-Runic, Jasmina; Turel, Iztok; Djuran, Miloš I; Glišić, Biljana Đ","Silver(I) complexes containing antifungal azoles: significant improvement of the anti-<i>Candida</i> potential of the azole drug after its coordination to the silver(I) ion.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2218","2230","10.1039/d3dt03010e","","x-ray","0.71073","MoKα","","0.0757","0.0434","","","0.0994","0.1125","","","","","","1.031","","","","has coordinates","289476","2024-02-04","11:48:23",""
"7714879","31.1679","0.0012","30.6135","0.0011","8.4228","0.0005","90","","90","","90","","8036.7","0.6","150","0.1","150","0.1","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C44 H34 Ag Cl2 F6 N4 Sb -","- C44 H34 Ag Cl2 F6 N4 Sb -","- C352 H272 Ag8 Cl16 F48 N32 Sb8 -","8","0.5","","Stanković, Mia; Kljun, Jakob; Stevanović, Nevena Lj; Lazic, Jelena; Skaro Bogojevic, Sanja; Vojnovic, Sandra; Zlatar, Matija; Nikodinovic-Runic, Jasmina; Turel, Iztok; Djuran, Miloš I; Glišić, Biljana Đ","Silver(I) complexes containing antifungal azoles: significant improvement of the anti-<i>Candida</i> potential of the azole drug after its coordination to the silver(I) ion.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2218","2230","10.1039/d3dt03010e","","x-ray","0.71073","MoKα","","0.0286","0.0252","","","0.0566","0.0582","","","","","","1.093","","","","has coordinates,has disorder","289476","2024-02-04","11:48:23",""
"7714880","6.4313","0.0003","9.83","0.0005","15.7404","0.0005","100.272","0.003","99.905","0.003","97.173","0.004","952.06","0.07","150","0.1","150","0.1","","","","","","","","7","P 1","P 1","1","","","","- C32 H28 Ag F12 N10 O2 Sb -","- C32 H28 Ag F12 N10 O2 Sb -","- C32 H28 Ag F12 N10 O2 Sb -","1","1","","Stanković, Mia; Kljun, Jakob; Stevanović, Nevena Lj; Lazic, Jelena; Skaro Bogojevic, Sanja; Vojnovic, Sandra; Zlatar, Matija; Nikodinovic-Runic, Jasmina; Turel, Iztok; Djuran, Miloš I; Glišić, Biljana Đ","Silver(I) complexes containing antifungal azoles: significant improvement of the anti-<i>Candida</i> potential of the azole drug after its coordination to the silver(I) ion.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2218","2230","10.1039/d3dt03010e","","x-ray","0.71073","MoKα","","0.0361","0.0306","","","0.054","0.0562","","","","","","0.994","","","","has coordinates","289476","2024-02-04","11:48:23",""
"7714881","13.5418","0.0012","13.5418","0.0012","13.5418","0.0012","90","","90","","90","","2483.3","0.4","293","2","293","2","","","","","","","","6","F -4 3 m","F -4 2 3","216","","","","- C6 H16 Ag4 Br6 K N5 -","- C6 H15.9996 Ag4 Br6 K N5 -","- C24 H63.9984 Ag16 Br24 K4 N20 -","4","0.0416667","","Liu, Ming-Hui; Wen, Wei-Yang; Shen, Hong-Yao; Yang, Yan; Li, Jun; Zhang, Bo","[Ag<sub>4</sub>Br<sub>6</sub>] cluster-based 3D bromoargentate hybrid: crystal structure, optical/photoelectrical performance and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","2991","2997","10.1039/d3dt03264g","","","0.71073","MoKα","","0.0285","0.0268","","","0.0696","0.0704","","","","","","1.187","","","","has coordinates","290200","2024-03-04","20:22:47",""
"7714882","36.1345","0.0014","8.3617","0.0003","25.1795","0.001","90","","92.056","0.003","90","","7603","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H109 Cl3 N28 O31 -","- C48 H97 Cl3 N28 O31 -","- C192 H388 Cl12 N112 O124 -","4","0.5","","Monini, Valeria; Bonechi, Marco; Bazzicalupi, Carla; Bianchi, Antonio; Gentilesca, Pietro; Giurlani, Walter; Innocenti, Massimo; Meoli, Arianna; Romano, Giammarco Maria; Savastano, Matteo","Oxygen reduction reaction (ORR) in alkaline solution catalysed by an atomically precise catalyst based on a Pd(II) complex supported on multi-walled carbon nanotubes (MWCNTs). Electrochemical and structural considerations.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2487","2500","10.1039/d3dt03947a","","","1.54178","CuKα","","0.0869","0.0793","","","0.2294","0.2401","","","","","","1.101","","","","has coordinates","290181","2024-03-04","20:18:19",""
"7714883","9.8464","0.0003","18.5362","0.0007","21.2826","0.0008","97.607","0.002","99.894","0.002","100.807","0.002","3704","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H96 Cl4 N12 O16 Pd2 S4 -","- C56 H90 Cl4 N12 O16 Pd2 S4 -","- C112 H180 Cl8 N24 O32 Pd4 S8 -","2","1","","Monini, Valeria; Bonechi, Marco; Bazzicalupi, Carla; Bianchi, Antonio; Gentilesca, Pietro; Giurlani, Walter; Innocenti, Massimo; Meoli, Arianna; Romano, Giammarco Maria; Savastano, Matteo","Oxygen reduction reaction (ORR) in alkaline solution catalysed by an atomically precise catalyst based on a Pd(II) complex supported on multi-walled carbon nanotubes (MWCNTs). Electrochemical and structural considerations.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2487","2500","10.1039/d3dt03947a","","","1.54178","CuKα","","0.1327","0.0874","","","0.2264","0.2643","","","","","","1.021","","","","has coordinates","290181","2024-03-04","20:18:19",""
"7714884","10.7356","0.0014","13.2246","0.0016","13.6742","0.0016","62.602","0.004","75.161","0.005","80.721","0.005","1664","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H48 Cl2 Cu N14 O7 -","- C24 H48 Cl2 Cu N14 O7 -","- C48 H96 Cl4 Cu2 N28 O14 -","2","1","","Monini, Valeria; Bonechi, Marco; Bazzicalupi, Carla; Bianchi, Antonio; Gentilesca, Pietro; Giurlani, Walter; Innocenti, Massimo; Meoli, Arianna; Romano, Giammarco Maria; Savastano, Matteo","Oxygen reduction reaction (ORR) in alkaline solution catalysed by an atomically precise catalyst based on a Pd(II) complex supported on multi-walled carbon nanotubes (MWCNTs). Electrochemical and structural considerations.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2487","2500","10.1039/d3dt03947a","","","0.71073","MoKα","","0.0998","0.0757","","","0.1867","0.2069","","","","","","1.048","","","","has coordinates","290181","2024-03-04","20:18:19",""
"7714885","12.5685","0.0003","12.847","0.0003","12.9863","0.0003","74.359","0.001","86.816","0.001","76.531","0.001","1963.62","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H49 Cl3 N14 O18 -","- C24 H49 Cl3 N14 O18 -","- C48 H98 Cl6 N28 O36 -","2","1","","Monini, Valeria; Bonechi, Marco; Bazzicalupi, Carla; Bianchi, Antonio; Gentilesca, Pietro; Giurlani, Walter; Innocenti, Massimo; Meoli, Arianna; Romano, Giammarco Maria; Savastano, Matteo","Oxygen reduction reaction (ORR) in alkaline solution catalysed by an atomically precise catalyst based on a Pd(II) complex supported on multi-walled carbon nanotubes (MWCNTs). Electrochemical and structural considerations.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2487","2500","10.1039/d3dt03947a","","","1.54178","CuKα","","0.1051","0.0904","","","0.2432","0.2577","","","","","","1.036","","","","has coordinates,has disorder","290181","2024-03-04","20:18:19",""
"7714886","9.5546","0.0003","12.9018","0.0004","19.4955","0.0006","74.443","0.002","79.3","0.002","76.145","0.002","2228.81","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H64.92 Cl2 Cu N14 O23.46 -","- C24 H42 Cl2 Cu N14 O23.45 -","- C48 H84 Cl4 Cu2 N28 O46.9 -","2","1","","Monini, Valeria; Bonechi, Marco; Bazzicalupi, Carla; Bianchi, Antonio; Gentilesca, Pietro; Giurlani, Walter; Innocenti, Massimo; Meoli, Arianna; Romano, Giammarco Maria; Savastano, Matteo","Oxygen reduction reaction (ORR) in alkaline solution catalysed by an atomically precise catalyst based on a Pd(II) complex supported on multi-walled carbon nanotubes (MWCNTs). Electrochemical and structural considerations.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2487","2500","10.1039/d3dt03947a","","","1.54178","CuKα","","0.0659","0.0602","","","0.1727","0.1798","","","","","","1.068","","","","has coordinates","290181","2024-03-04","20:18:19",""
"7714887","9.042","0.004","10.15","0.005","11.002","0.005","101.564","0.017","98.128","0.015","109.61","0.016","907.7","0.7","145","2","145","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H24 Cl2 N2 O2 Zn -","- C15 H24 Cl2 N2 O2 Zn -","- C30 H48 Cl4 N4 O4 Zn2 -","2","1","","Ghanta, Rinku; Chowdhury, Tania; Ghosh, Avik; Das, Avijit K.; Chattopadhyay, Tanmay","Comparative analysis of Zn(II)-complexes as model metalloenzymes for mimicking Jack bean urease.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2373","2385","10.1039/d3dt03775d","","","0.71073","MoKα","","0.094","0.0895","","","0.2628","0.278","","","","","","1.163","","","","has coordinates","289474","2024-02-04","11:47:42",""
"7714888","9.7511","0.0011","18.385","0.002","10.2906","0.0011","90","","113.811","0.003","90","","1687.8","0.3","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 Cl2 N3 O Zn -","- C14 H21 Cl2 N3 O Zn -","- C56 H84 Cl8 N12 O4 Zn4 -","4","1","","Ghanta, Rinku; Chowdhury, Tania; Ghosh, Avik; Das, Avijit K.; Chattopadhyay, Tanmay","Comparative analysis of Zn(II)-complexes as model metalloenzymes for mimicking Jack bean urease.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2373","2385","10.1039/d3dt03775d","","","1.54178","CuKα","","0.0553","0.0552","","","0.1463","0.1464","","","","","","1.127","","","","has coordinates","289474","2024-02-04","11:47:42",""
"7714889","8.9174","0.0007","15.1027","0.001","20.9603","0.0017","90","","102.16","0.003","90","","2759.5","0.4","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 N2 -","- C36 H38 N2 -","- C144 H152 N8 -","4","0.5","","Erlemeier, Lukas; Müller, Marius J; Stuhrmann, Gina; Dunaj, Tobias; Werncke, Gunnar; Chatterjee, Sangam; von Hänisch, Carsten","Easy access to strongly fluorescent higher homologues of BODIPY.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","887","893","10.1039/d3dt03323f","","x-ray","0.71073","MoKα","","0.0594","0.0513","","","0.1227","0.1284","","","","","","1.071","","","","has coordinates,has disorder","289535","2024-02-04","12:04:22",""
"7714890","8.0255","0.0003","14.4109","0.0005","14.5282","0.0006","90","","103.255","0.002","90","","1635.49","0.11","100","","100","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C38 H43 Ga N2 -","- C38 H43 Ga N2 -","- C76 H86 Ga2 N4 -","2","0.5","","Erlemeier, Lukas; Müller, Marius J; Stuhrmann, Gina; Dunaj, Tobias; Werncke, Gunnar; Chatterjee, Sangam; von Hänisch, Carsten","Easy access to strongly fluorescent higher homologues of BODIPY.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","887","893","10.1039/d3dt03323f","","x-ray","0.71073","MoKα","","0.0502","0.0367","","","0.0833","0.0883","","","","","","1.048","","","","has coordinates,has disorder","289535","2024-02-04","12:04:22",""
"7714891","8.254","0.004","14.62","0.006","14.709","0.007","89.79","0.02","74.07","0.02","87.68","0.02","1705.4","1.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H47 Ga N2 -","- C40 H47 Ga N2 -","- C80 H94 Ga2 N4 -","2","1","","Erlemeier, Lukas; Müller, Marius J; Stuhrmann, Gina; Dunaj, Tobias; Werncke, Gunnar; Chatterjee, Sangam; von Hänisch, Carsten","Easy access to strongly fluorescent higher homologues of BODIPY.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","887","893","10.1039/d3dt03323f","","x-ray","0.71073","MoKα","","0.0363","0.0323","","","0.0822","0.0848","","","","","","1.054","","","","has coordinates","289535","2024-02-04","12:04:22",""
"7714892","8.0256","0.0003","14.3869","0.0007","14.5506","0.0006","90","","103.338","0.002","90","","1634.75","0.12","100","","100","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C38 H43 Al N2 -","- C38 H43 Al N2 -","- C76 H86 Al2 N4 -","2","0.5","","Erlemeier, Lukas; Müller, Marius J; Stuhrmann, Gina; Dunaj, Tobias; Werncke, Gunnar; Chatterjee, Sangam; von Hänisch, Carsten","Easy access to strongly fluorescent higher homologues of BODIPY.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","887","893","10.1039/d3dt03323f","","x-ray","0.71073","MoKα","","0.0622","0.0447","","","0.1121","0.1221","","","","","","1.037","","","","has coordinates,has disorder","289535","2024-02-04","12:04:22",""
"7714893","8.007","0.0002","14.4092","0.0002","14.7134","0.0003","90","","102.629","0.002","90","","1656.48","0.06","100","","100","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C38 H43 In N2 -","- C38 H43 In N2 -","- C76 H86 In2 N4 -","2","0.5","","Erlemeier, Lukas; Müller, Marius J; Stuhrmann, Gina; Dunaj, Tobias; Werncke, Gunnar; Chatterjee, Sangam; von Hänisch, Carsten","Easy access to strongly fluorescent higher homologues of BODIPY.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","887","893","10.1039/d3dt03323f","","x-ray","1.54186","CuKα","","0.0539","0.0446","","","0.1185","0.1241","","","","","","1.099","","","","has coordinates,has disorder","289535","2024-02-04","12:04:22",""
"7714894","8.259","0.003","14.61","0.006","14.774","0.006","89.1","0.03","73.44","0.03","87.79","0.03","1707.5","1.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H47 Al N2 -","- C40 H47 Al N2 -","- C80 H94 Al2 N4 -","2","1","","Erlemeier, Lukas; Müller, Marius J; Stuhrmann, Gina; Dunaj, Tobias; Werncke, Gunnar; Chatterjee, Sangam; von Hänisch, Carsten","Easy access to strongly fluorescent higher homologues of BODIPY.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","887","893","10.1039/d3dt03323f","","x-ray","1.54186","CuKα","","0.1487","0.0609","","","0.1163","0.1422","","","","","","0.745","","","","has coordinates","289535","2024-02-04","12:04:22",""
"7714895","15.6677","0.0006","14.3638","0.0005","16.0349","0.0005","90","","105.444","0.001","90","","3478.3","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H47 In N2 -","- C40 H47 In N2 -","- C160 H188 In4 N8 -","4","1","","Erlemeier, Lukas; Müller, Marius J; Stuhrmann, Gina; Dunaj, Tobias; Werncke, Gunnar; Chatterjee, Sangam; von Hänisch, Carsten","Easy access to strongly fluorescent higher homologues of BODIPY.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","887","893","10.1039/d3dt03323f","","x-ray","0.71073","MoKα","","0.0471","0.0362","","","0.0955","0.0998","","","","","","1.047","","","","has coordinates","289535","2024-02-04","12:04:22",""
"7714896","32.3745","0.0018","7.3369","0.0004","17.0457","0.0009","90","","98.753","0.005","90","","4001.7","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H10 N O6 Tb -","- C20 H10 N O6 Tb -","- C160 H80 N8 O48 Tb8 -","8","1","","Costa, Augusto Iwashita; da Silva, Rafaela M. R.; Botelho, Luckerman D. G.; Coelho, Sergio F. N.; A Sigoli, Fernando; Honorato, João; Ellena, Javier; Martins, Felipe T.; Gomes, Angelo M.; Nunes, Wallace C.; Lloret, Francesc; Julve, Miguel; Marinho, Maria Vanda","Intensity and lifetime ratiometric luminescent thermometer based on a Tb(III) coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","3994","4004","10.1039/d3dt03555g","","x-ray","0.71073","MoKα","","0.0286","0.0237","","","0.0578","0.0602","","","","","","1.067","","","","has coordinates","290211","2024-03-04","20:25:05",""
"7714897","18.8363","0.0003","20.2419","0.0004","20.4888","0.0003","110.197","0.002","99.184","0.002","105.512","0.002","6784.9","0.3","173.15","","173.15","","","","","","","","","7","P -1","-P 1","2","","","","- C187 H108 Br44 Cs3 N3 O79 Ti12 -","- C166 H72 Br44 Cs3 O70 Ti12 -","- C166 H72 Br44 Cs3 O70 Ti12 -","1","0.5","","Liu, Yanshu; Zhang, Guanyun; Wang, Dexin; Chen, Guanjie; Gao, Fangfang; Tung, Chen-Ho; Wang, Yifeng","A cryptand-like Ti-coordination compound with visible-light photocatalytic activity in CO<sub>2</sub> storage.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","1989","1998","10.1039/d3dt04051h","","","1.54184","CuKα","","0.1013","0.0837","","","0.2372","0.2511","","","","","","1.101","","","","has coordinates,has disorder","289483","2024-02-04","11:50:09",""
"7714898","16.3284","0.0002","30.6769","0.0003","15.5639","0.0002","90","","111.798","0.001","90","","7238.6","0.16","100","0.4","100","0.4","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C100 H78 Ag8 Cl2 N12 O56 Ti12 -","- C100 H78 Ag8 Cl2 N12 O56 Ti12 -","- C200 H156 Ag16 Cl4 N24 O112 Ti24 -","2","0.5","","Rong, Li-Jun; Ye, Yu-Ting; Lin, Xin; Sun, Xiaohui; Chen, Shumei; Zhang, Jian; Zhang, Lei","Structure and optical limiting effects of heterometallic Ag<sub>6</sub>@Ti<sub>12</sub> and Ag<sub>8</sub>@Ti<sub>12</sub> oxo clusters regulated by alkynyl ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","1947","1950","10.1039/d3dt03941b","","x-ray","1.3405","GaKα","","0.0949","0.087","","","0.246","0.2533","","","","","","1.027","","","","has coordinates,has disorder","289486","2024-02-04","11:51:25",""
"7714899","27.7454","0.0003","27.7454","0.0003","42.2217","0.0007","90","","90","","120","","28148.1","0.6","100","0.1","100","0.1","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C126 H72 Ag6 N12 O56 Ti12 -","- C114 H78 Ag6 N12 O54 Ti12 -","- C684 H468 Ag36 N72 O324 Ti72 -","6","0.166667","","Rong, Li-Jun; Ye, Yu-Ting; Lin, Xin; Sun, Xiaohui; Chen, Shumei; Zhang, Jian; Zhang, Lei","Structure and optical limiting effects of heterometallic Ag<sub>6</sub>@Ti<sub>12</sub> and Ag<sub>8</sub>@Ti<sub>12</sub> oxo clusters regulated by alkynyl ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","1947","1950","10.1039/d3dt03941b","","x-ray","0.71073","MoKα","","0.0655","0.0555","","","0.1676","0.1831","","","","","","1.034","","","","has coordinates,has disorder","289486","2024-02-04","11:51:29",""
"7714900","5.956","0.0006","9.0721","0.001","15.5189","0.0017","73.89","0.003","83.762","0.003","75.613","0.003","779.64","0.15","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 Cd N4 S2 -","- C36 H26 Cd N4 S2 -","- C36 H26 Cd N4 S2 -","1","0.5","","Datta, Sourav; Dey, Sunanda; Sinha, Chittaranjan; Dutta, Basudeb; Banerjee, Priyabrata; Mir, Mohammad Hedayetullah","Exploitation of a 1D coordination polymer as a portable kit for an eye-catching fluorometric response towards sensing of trivalent cations.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2859","2866","10.1039/d3dt03939k","","","0.71073","MoKα","","0.0649","0.0623","","","0.1646","0.1687","","","","","","1.1","","","","has coordinates,has disorder","290182","2024-03-04","20:18:27",""
"7714901","4.8157","0.0001","17.5289","0.0003","10.0642","0.0002","90","","98.656","0.002","90","","839.88","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 N2 O4 -","- C6 H12 N2 O4 -","- C24 H48 N8 O16 -","4","1","","Mahdavi, Seyedeh Mahbobeh; Bockfeld, Dirk; Büssing, Rolf; Karge, Bianka; Bannenberg, Thomas; Frank, René; Brönstrup, Mark; Ott, Ingo; Tamm, Matthias","Synthesis of N-heterocyclic carbene gold(I) complexes from the marine betaine 1,3-dimethylimidazolium-4-carboxylate.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","1942","1946","10.1039/d3dt04135b","","x-ray","1.54184","CuKα","","0.0474","0.0448","","","0.1439","0.1475","","","","","","1.143","","","","has coordinates","289489","2024-02-04","11:52:47",""
"7714902","3.6946","0.0005","20.679","0.002","10.734","0.0011","90","","99.603","0.011","90","","808.59","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Au Cl N4 O5 -","- C12 H18 Au Cl N4 O5 -","- C24 H36 Au2 Cl2 N8 O10 -","2","0.5","","Mahdavi, Seyedeh Mahbobeh; Bockfeld, Dirk; Büssing, Rolf; Karge, Bianka; Bannenberg, Thomas; Frank, René; Brönstrup, Mark; Ott, Ingo; Tamm, Matthias","Synthesis of N-heterocyclic carbene gold(I) complexes from the marine betaine 1,3-dimethylimidazolium-4-carboxylate.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","1942","1946","10.1039/d3dt04135b","","x-ray","1.54184","CuKα","","0.0735","0.0553","","","0.0962","0.1013","","","","","","1.246","","","","has coordinates,has disorder","289489","2024-02-04","11:52:47",""
"7714903","4.3054","0.0004","20.233","0.003","11.3141","0.0011","90","","91.19","0.009","90","","985.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H27 Au N4 O10 -","- C12 H27 Au N4 O10 -","- C24 H54 Au2 N8 O20 -","2","0.5","","Mahdavi, Seyedeh Mahbobeh; Bockfeld, Dirk; Büssing, Rolf; Karge, Bianka; Bannenberg, Thomas; Frank, René; Brönstrup, Mark; Ott, Ingo; Tamm, Matthias","Synthesis of N-heterocyclic carbene gold(I) complexes from the marine betaine 1,3-dimethylimidazolium-4-carboxylate.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","1942","1946","10.1039/d3dt04135b","","x-ray","1.54184","CuKα","","0.0705","0.0432","","","0.0975","0.1073","","","","","","1.074","","","","has coordinates","289489","2024-02-04","11:52:47",""
"7714904","4.4336","0.0001","17.9129","0.0002","10.4981","0.0002","90","","95.263","0.002","90","","830.23","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H12 N2 O3 -","- C7 H12 N2 O3 -","- C28 H48 N8 O12 -","4","1","","Mahdavi, Seyedeh Mahbobeh; Bockfeld, Dirk; Büssing, Rolf; Karge, Bianka; Bannenberg, Thomas; Frank, René; Brönstrup, Mark; Ott, Ingo; Tamm, Matthias","Synthesis of N-heterocyclic carbene gold(I) complexes from the marine betaine 1,3-dimethylimidazolium-4-carboxylate.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","1942","1946","10.1039/d3dt04135b","","x-ray","1.54184","CuKα","","0.033","0.0321","","","0.0878","0.0885","","","","","","1.067","","","","has coordinates","289489","2024-02-04","11:52:47",""
"7714905","6.7691","0.0001","12.2956","0.0002","11.0786","0.0002","90","","102.935","0.002","90","","898.68","0.03","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 Au Cl N2 O2 -","- C6 H8 Au Cl N2 O2 -","- C24 H32 Au4 Cl4 N8 O8 -","4","1","","Mahdavi, Seyedeh Mahbobeh; Bockfeld, Dirk; Büssing, Rolf; Karge, Bianka; Bannenberg, Thomas; Frank, René; Brönstrup, Mark; Ott, Ingo; Tamm, Matthias","Synthesis of N-heterocyclic carbene gold(I) complexes from the marine betaine 1,3-dimethylimidazolium-4-carboxylate.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","1942","1946","10.1039/d3dt04135b","","x-ray","0.71073","MoKα","","0.0335","0.0254","","","0.0576","0.0596","","","","","","1.113","","","","has coordinates","289489","2024-02-04","11:52:47",""
"7714906","3.78331","0.00013","11.0885","0.0005","11.4646","0.0007","79.885","0.005","82.696","0.004","80.471","0.003","464.56","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H22 Au K N4 O8 -","- C12 H22 Au K1.01 N4 O8 -","- C12 H22 Au K1.01 N4 O8 -","1","0.5","","Mahdavi, Seyedeh Mahbobeh; Bockfeld, Dirk; Büssing, Rolf; Karge, Bianka; Bannenberg, Thomas; Frank, René; Brönstrup, Mark; Ott, Ingo; Tamm, Matthias","Synthesis of N-heterocyclic carbene gold(I) complexes from the marine betaine 1,3-dimethylimidazolium-4-carboxylate.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","1942","1946","10.1039/d3dt04135b","","x-ray","0.71073","MoKα","","0.043","0.0411","","","0.1013","0.1022","","","","","","1.155","","","","has coordinates,has disorder","289489","2024-02-04","11:52:47",""
"7714907","3.803","0.0002","10.937","0.0012","11.4861","0.0008","79.722","0.007","82.574","0.005","81.366","0.007","462.17","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H22 Au K N4 O7 -","- C13 H22 Au K N4 O7 -","- C13 H22 Au K N4 O7 -","1","0.5","","Mahdavi, Seyedeh Mahbobeh; Bockfeld, Dirk; Büssing, Rolf; Karge, Bianka; Bannenberg, Thomas; Frank, René; Brönstrup, Mark; Ott, Ingo; Tamm, Matthias","Synthesis of N-heterocyclic carbene gold(I) complexes from the marine betaine 1,3-dimethylimidazolium-4-carboxylate.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","1942","1946","10.1039/d3dt04135b","","x-ray","1.54184","CuKα","","0.1125","0.1068","","","0.272","0.2801","","","","","","1.209","","","","has coordinates,has disorder","289489","2024-02-04","11:52:47",""
"7714908","11.8809","0.0006","10.3569","0.0004","27.9319","0.0013","90","","93.247","0.002","90","","3431.5","0.3","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H43 B F4 N8 Ni -","- C37 H43 B F4 N8 Ni -","- C148 H172 B4 F16 N32 Ni4 -","4","1","","Pavun, Anna; Niess, Raffael; Scheibel, Lucas A.; Seidl, Michael; Hohloch, Stephan","A mesoionic carbene stabilized nickel(II) hydroxide complex: a facile precursor for C-H activation chemistry.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2749","2761","10.1039/d3dt03746k","","","0.71073","MoKα","","0.0763","0.0694","","","0.1464","0.149","","","","","","1.199","","","","has coordinates","290167","2024-03-04","20:14:50",""
"7714909","15.78","0.05","17.42","0.05","20.19","0.06","90","","103.02","0.12","90","","5407","3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C65 H69 N7 Ni S -","- C65 H69 N7 Ni S -","- C260 H276 N28 Ni4 S4 -","4","1","","Pavun, Anna; Niess, Raffael; Scheibel, Lucas A.; Seidl, Michael; Hohloch, Stephan","A mesoionic carbene stabilized nickel(II) hydroxide complex: a facile precursor for C-H activation chemistry.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2749","2761","10.1039/d3dt03746k","","","0.71073","MoKα","","0.1625","0.1073","","","0.2033","0.2301","","","","","","1.169","","","","has coordinates,has disorder","290167","2024-03-04","20:14:50",""
"7714910","7.7265","0.0016","13.252","0.002","16.223","0.003","77.721","0.007","85.348","0.007","79.973","0.007","1596.6","0.5","103","","103","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H40 Cl2 N10 Ni -","- C33 H40 Cl2 N10 Ni -","- C66 H80 Cl4 N20 Ni2 -","2","1","","Pavun, Anna; Niess, Raffael; Scheibel, Lucas A.; Seidl, Michael; Hohloch, Stephan","A mesoionic carbene stabilized nickel(II) hydroxide complex: a facile precursor for C-H activation chemistry.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2749","2761","10.1039/d3dt03746k","","","0.71073","MoKα","","0.0782","0.0694","","","0.109","0.1116","","","","","","1.228","","","","has coordinates,has disorder","290167","2024-03-04","20:14:50",""
"7714911","7.6503","0.0005","13.2697","0.0008","16.4268","0.0011","77.84","0.003","86.166","0.003","79.99","0.003","1604.58","0.18","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H40 Cl3 N7 Ni -","- C33 H40 Cl3 N7 Ni -","- C66 H80 Cl6 N14 Ni2 -","2","1","","Pavun, Anna; Niess, Raffael; Scheibel, Lucas A.; Seidl, Michael; Hohloch, Stephan","A mesoionic carbene stabilized nickel(II) hydroxide complex: a facile precursor for C-H activation chemistry.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2749","2761","10.1039/d3dt03746k","","","0.71073","MoKα","","0.0621","0.0437","","","0.0961","0.1088","","","","","","1.036","","","","has coordinates","290167","2024-03-04","20:14:50",""
"7714912","7.7434","0.0004","13.6237","0.0007","16.4176","0.0009","83.877","0.002","85.612","0.002","77.88","0.002","1681.08","0.15","153","","153","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H49 N7 Ni O3 -","- C36 H49 N7 Ni O3 -","- C72 H98 N14 Ni2 O6 -","2","1","","Pavun, Anna; Niess, Raffael; Scheibel, Lucas A.; Seidl, Michael; Hohloch, Stephan","A mesoionic carbene stabilized nickel(II) hydroxide complex: a facile precursor for C-H activation chemistry.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2749","2761","10.1039/d3dt03746k","","","0.71073","MoKα","","0.0685","0.0486","","","0.1126","0.1256","","","","","","1.032","","","","has coordinates","290167","2024-03-04","20:14:50",""
"7714913","11.43","0.0008","13.2816","0.0011","13.6078","0.0012","72.352","0.003","70.181","0.003","74.277","0.003","1819.1","0.3","153","","153","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H49 Cl2 N7 Ni O Si -","- C36 H49 Cl2 N7 Ni O Si -","- C72 H98 Cl4 N14 Ni2 O2 Si2 -","2","1","","Pavun, Anna; Niess, Raffael; Scheibel, Lucas A.; Seidl, Michael; Hohloch, Stephan","A mesoionic carbene stabilized nickel(II) hydroxide complex: a facile precursor for C-H activation chemistry.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2749","2761","10.1039/d3dt03746k","","","0.71073","MoKα","","0.0942","0.0746","","","0.1886","0.2093","","","","","","1.031","","","","has coordinates","290167","2024-03-04","20:14:50",""
"7714914","16.3158","0.0015","21.3714","0.0016","12.1193","0.0011","90","","96.097","0.003","90","","4202","0.6","153","","153","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H52 N8 Ni O2 S -","- C39 H46 N8 Ni O2 S -","- C156 H184 N32 Ni4 O8 S4 -","4","1","","Pavun, Anna; Niess, Raffael; Scheibel, Lucas A.; Seidl, Michael; Hohloch, Stephan","A mesoionic carbene stabilized nickel(II) hydroxide complex: a facile precursor for C-H activation chemistry.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2749","2761","10.1039/d3dt03746k","","","0.71073","MoKα","","0.076","0.0528","","","0.1339","0.155","","","","","","1.019","","","","has coordinates,has disorder","290167","2024-03-04","20:14:50",""
"7714915","10.2341","0.001","11.5523","0.0014","41.346","0.004","90","","96.43","0.003","90","","4857.5","0.9","152","","152","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C57 H73 N7 Ni -","- C57 H73 N7 Ni -","- C228 H292 N28 Ni4 -","4","1","","Pavun, Anna; Niess, Raffael; Scheibel, Lucas A.; Seidl, Michael; Hohloch, Stephan","A mesoionic carbene stabilized nickel(II) hydroxide complex: a facile precursor for C-H activation chemistry.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2749","2761","10.1039/d3dt03746k","","","0.71073","MoKα","","0.0815","0.0675","","","0.1667","0.1761","","","","","","1.065","","","","has coordinates,has disorder","290167","2024-03-04","20:14:50",""
"7714916","15.1996","0.0009","16.7302","0.0008","17.9276","0.001","90","","107.549","0.002","90","","4346.7","0.4","155","","155","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C51 H55 N7 Ni O2 -","- C45 H49 N7 Ni O2 -","- C180 H196 N28 Ni4 O8 -","4","0.5","","Pavun, Anna; Niess, Raffael; Scheibel, Lucas A.; Seidl, Michael; Hohloch, Stephan","A mesoionic carbene stabilized nickel(II) hydroxide complex: a facile precursor for C-H activation chemistry.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2749","2761","10.1039/d3dt03746k","","","0.71073","MoKα","","0.0694","0.0525","","","0.129","0.1379","","","","","","1.045","","","","has coordinates,has disorder","290167","2024-03-04","20:14:50",""
"7714917","12.5534","0.0004","11.2678","0.0004","23.8559","0.001","90","","100.05","0.001","90","","3322.6","0.2","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37.27 H43.23 N8.49 Ni -","- C37.271 H43.229 N8.487 Ni -","- C149.084 H172.916 N33.948 Ni4 -","4","1","","Pavun, Anna; Niess, Raffael; Scheibel, Lucas A.; Seidl, Michael; Hohloch, Stephan","A mesoionic carbene stabilized nickel(II) hydroxide complex: a facile precursor for C-H activation chemistry.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2749","2761","10.1039/d3dt03746k","","","0.71073","MoKα","","0.0406","0.0344","","","0.0925","0.0971","","","","","","1.026","","","","has coordinates,has disorder","290167","2024-03-04","20:14:51",""
"7714918","7.8623","0.0011","14.8825","0.0018","17.7","0.002","77.464","0.004","79.327","0.005","85.883","0.005","1985.7","0.4","153","","153","","","","","","","","","5","P -1","-P 1","2","","","","- C42.8 H43.8 F4 N7 Ni -","- C38 H39 F4 N7 Ni -","- C76 H78 F8 N14 Ni2 -","2","1","","Pavun, Anna; Niess, Raffael; Scheibel, Lucas A.; Seidl, Michael; Hohloch, Stephan","A mesoionic carbene stabilized nickel(II) hydroxide complex: a facile precursor for C-H activation chemistry.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2749","2761","10.1039/d3dt03746k","","","0.71073","MoKα","","0.0988","0.0741","","","0.1979","0.2194","","","","","","1.033","","","","has coordinates,has disorder","290167","2024-03-04","20:14:51",""
"7714919","9.6617","0.0005","15.7074","0.0008","18.8918","0.001","67.512","0.002","75.835","0.002","77.315","0.002","2542.9","0.2","153","","153","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H57 F6 N7 Ni -","- C42 H41 F6 N7 Ni -","- C84 H82 F12 N14 Ni2 -","2","1","","Pavun, Anna; Niess, Raffael; Scheibel, Lucas A.; Seidl, Michael; Hohloch, Stephan","A mesoionic carbene stabilized nickel(II) hydroxide complex: a facile precursor for C-H activation chemistry.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2749","2761","10.1039/d3dt03746k","","","0.71073","MoKα","","0.0846","0.0703","","","0.1951","0.2077","","","","","","1.04","","","","has coordinates,has disorder","290167","2024-03-04","20:14:51",""
"7714920","12.26757","0.00015","13.99843","0.00013","22.5929","0.0002","90","","97.2879","0.0011","90","","3848.46","0.07","123","0.1","123","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39.92 H47.28 Cl0.12 N7 Ni O6.16 -","- C39.92 H47.28 Cl0.12 N7 Ni O6.16 -","- C159.68 H189.12 Cl0.48 N28 Ni4 O24.64 -","4","1","","Pavun, Anna; Niess, Raffael; Scheibel, Lucas A.; Seidl, Michael; Hohloch, Stephan","A mesoionic carbene stabilized nickel(II) hydroxide complex: a facile precursor for C-H activation chemistry.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2749","2761","10.1039/d3dt03746k","","x-ray","1.54184","CuKα","","0.0733","0.0638","","","0.1631","0.1682","","","","","","1.121","","","","has coordinates,has disorder","290167","2024-03-04","20:14:51",""
"7714921","9.3995","0.0009","11.679","0.001","12.0501","0.0011","97.985","0.003","91.166","0.004","109.171","0.003","1234.3","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","DB-403","","- C52 H42 O13 P2 W2 -","- C52 H42 O13 P2 W2 -","- C52 H42 O13 P2 W2 -","1","0.5","","Biskup, David; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer","Access to ligand-stabilized PH-containing phosphenium complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2517","2525","10.1039/d3dt03869f","","x-ray","0.71073","MoKα","","0.0745","0.0566","","","0.1234","0.1321","","","","","","1.109","","","","has coordinates,has disorder","290176","2024-03-04","20:17:31",""
"7714922","11.7247","0.0003","11.0478","0.0004","19.569","0.0005","90","","95.179","0.002","90","","2524.47","0.13","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","DB-550","","- C26 H16 F3 O7 P W -","- C26 H16 F3 O7 P W -","- C104 H64 F12 O28 P4 W4 -","4","1","","Biskup, David; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer","Access to ligand-stabilized PH-containing phosphenium complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2517","2525","10.1039/d3dt03869f","","","0.71073","MoKα","","0.0923","0.0731","","","0.1711","0.2016","","","","","","1.064","","","","has coordinates","290176","2024-03-04","20:17:31",""
"7714923","9.1342","0.0003","10.596","0.0004","18.7994","0.0006","87.804","0.003","79.701","0.003","77.72","0.003","1749.24","0.11","123","","123","2","","","","","","","","9","P -1","-P 1","2","","DB-519","","- C31 H26 Cl2 F3 N2 O8 P S W -","- C31 H26 Cl2 F3 N2 O8 P S W -","- C62 H52 Cl4 F6 N4 O16 P2 S2 W2 -","2","1","","Biskup, David; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer","Access to ligand-stabilized PH-containing phosphenium complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2517","2525","10.1039/d3dt03869f","","","0.71073","MoKα","","0.0771","0.0586","","","0.1512","0.1631","","","","","","0.991","","","","has coordinates","290176","2024-03-04","20:17:31",""
"7714924","11.7074","0.0011","10.9879","0.0009","19.4438","0.0023","90","","95.019","0.008","90","","2491.7","0.4","123","","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","DB-557","","- C26 H16 Cr F3 O7 P -","- C26 H16 Cr F3 O7 P -","- C104 H64 Cr4 F12 O28 P4 -","4","1","","Biskup, David; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer","Access to ligand-stabilized PH-containing phosphenium complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2517","2525","10.1039/d3dt03869f","","","0.71073","MoKα","","0.0433","0.0296","","","0.0776","0.0814","","","","","","1.013","","","","has coordinates","290176","2024-03-04","20:17:31",""
"7714925","9.9563","0.0005","34.958","0.002","16.3809","0.0013","90","","97.49","0.002","90","","5652.8","0.6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","DB-568","","- C28 H22 N2 O5 P W -","- C28 H22 N2 O5 P W -","- C112 H88 N8 O20 P4 W4 -","4","1","","Biskup, David; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer","Access to ligand-stabilized PH-containing phosphenium complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2517","2525","10.1039/d3dt03869f","","x-ray","0.71073","MoKα","","0.087","0.0824","","","0.2406","0.2447","","","","","","1.032","","","","has coordinates,has disorder","290176","2024-03-04","20:17:31",""
"7714926","8.5285","0.0006","12.2121","0.0009","17.7662","0.0012","69.997","0.005","78.901","0.005","79.928","0.006","1694.2","0.2","100","","100","","","","","","","","","9","P -1","-P 1","2","","DB-558","","- C31 H26 Cl2 Cr F3 N2 O8 P S -","- C31 H26 Cl2 Cr F3 N2 O8 P S -","- C62 H52 Cl4 Cr2 F6 N4 O16 P2 S2 -","2","1","","Biskup, David; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer","Access to ligand-stabilized PH-containing phosphenium complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2517","2525","10.1039/d3dt03869f","","","1.54186","CuKα","","0.1047","0.0714","","","0.1777","0.2061","","","","","","1.032","","","","has coordinates","290176","2024-03-04","20:17:31",""
"7714927","11.3237","0.0005","14.0365","0.0006","20.5226","0.0007","98.049","0.001","104.554","0.001","94.751","0.002","3102.4","0.2","100","","100","","","","","","","","","9","P -1","-P 1","2","","DB-604","","- C61 H36 B Cl2 F24 N2 O5 P W -","- C61 H36 B Cl2 F24 N2 O5 P W -","- C122 H72 B2 Cl4 F48 N4 O10 P2 W2 -","2","1","","Biskup, David; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer","Access to ligand-stabilized PH-containing phosphenium complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2517","2525","10.1039/d3dt03869f","","x-ray","0.71073","MoKα","","0.0192","0.0188","","","0.047","0.0473","","","","","","1.059","","","","has coordinates,has disorder","290176","2024-03-04","20:17:31",""
"7714928","54.221","0.003","8.9542","0.0005","32.5364","0.0019","90","","125.097","0.002","90","","12924.5","1.3","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","DB-571-2","","- C30.25 H25 F3 N2 O8 P S W -","- C30.25 H25 F3 N2 O8 P S W -","- C484 H400 F48 N32 O128 P16 S16 W16 -","16","2","","Biskup, David; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer","Access to ligand-stabilized PH-containing phosphenium complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2517","2525","10.1039/d3dt03869f","","x-ray","0.71073","MoKα","","0.051","0.0452","","","0.1066","0.1104","","","","","","1.035","","","","has coordinates,has disorder","290176","2024-03-04","20:17:31",""
"7714929","9.2985","0.0005","10.3543","0.0007","11.9616","0.0007","112.775","0.006","107.363","0.005","93.359","0.005","993.44","0.12","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H15 Cl Cu N2 O7 -","- C21 H15 Cl Cu N2 O7 -","- C42 H30 Cl2 Cu2 N4 O14 -","2","1","","Zhang, Hai-Qun; Lu, Xing; Wu, Jiang-Lun; Ou, Mei-Quan; Chen, Nan-Feng; Liang, Hong; Chen, Zhen-Feng","Discovery of mitochondrion-targeting copper(II)-plumbagin and -bipyridine complexes as chemodynamic therapy agents with enhanced antitumor activity.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3244","3253","10.1039/d3dt03806h","","","0.71073","MoKα","","0.0791","0.0527","","","0.1248","0.145","","","","","","1.049","","","","has coordinates","290194","2024-03-04","20:20:51",""
"7714930","9.526","0.0004","16.5988","0.0005","15.9965","0.0005","90","","105.658","0.004","90","","2435.5","0.15","298","","298","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H13 Cl Cu F6 N2 O7 -","- C23 H13 Cl Cu F6 N2 O7 -","- C92 H52 Cl4 Cu4 F24 N8 O28 -","4","1","","Zhang, Hai-Qun; Lu, Xing; Wu, Jiang-Lun; Ou, Mei-Quan; Chen, Nan-Feng; Liang, Hong; Chen, Zhen-Feng","Discovery of mitochondrion-targeting copper(II)-plumbagin and -bipyridine complexes as chemodynamic therapy agents with enhanced antitumor activity.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3244","3253","10.1039/d3dt03806h","","","0.71073","MoKα","","0.101","0.0599","","","0.1306","0.1521","","","","","","1.04","","","","has coordinates,has disorder","290194","2024-03-04","20:20:51",""
"7714931","9.3791","0.0002","10.6291","0.0002","22.1108","0.0004","90","","92.1043","0.0017","90","","2202.77","0.07","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 Cl Cu N2 O7 -","- C23 H19 Cl Cu N2 O7 -","- C92 H76 Cl4 Cu4 N8 O28 -","4","1","","Zhang, Hai-Qun; Lu, Xing; Wu, Jiang-Lun; Ou, Mei-Quan; Chen, Nan-Feng; Liang, Hong; Chen, Zhen-Feng","Discovery of mitochondrion-targeting copper(II)-plumbagin and -bipyridine complexes as chemodynamic therapy agents with enhanced antitumor activity.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3244","3253","10.1039/d3dt03806h","","x-ray","0.71073","MoKα","","0.0453","0.0369","","","0.0922","0.0985","","","","","","1.04","","","","has coordinates,has disorder","290194","2024-03-04","20:20:51",""
"7714932","9.4798","0.0005","10.4607","0.0008","12.3592","0.0008","109.072","0.007","110.542","0.006","90.238","0.005","1074.86","0.14","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H17 Cl Cu N4 O7 -","- C21 H17 Cl Cu N4 O7 -","- C42 H34 Cl2 Cu2 N8 O14 -","2","1","","Zhang, Hai-Qun; Lu, Xing; Wu, Jiang-Lun; Ou, Mei-Quan; Chen, Nan-Feng; Liang, Hong; Chen, Zhen-Feng","Discovery of mitochondrion-targeting copper(II)-plumbagin and -bipyridine complexes as chemodynamic therapy agents with enhanced antitumor activity.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3244","3253","10.1039/d3dt03806h","","x-ray","0.71073","MoKα","","0.1551","0.0708","","","0.1518","0.1959","","","","","","1.001","","","","has coordinates","290194","2024-03-04","20:20:51",""
"7714933","7.2567","0.0016","12.446","0.003","22.2","0.005","90","","90","","90","","2005","0.8","295","2","295","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Ge0.67 Nb1.11 O4.56 Rb0.89 -","- Ge0.666667 Nb1.11111 O4.55556 Rb0.888889 -","- Ge12 Nb20 O82 Rb16 -","18","2.25","","Chai, Jing; She, Yuheng; Jiao, Jinmiao; Li, Lili; Ye, Ning; Hu, Zhanggui; Wu, Yicheng; Li, Conggang","Rb<sub>8</sub>Nb<sub>10</sub>Ge<sub>6</sub>O<sub>41</sub>: a new niobium-germanate crystal featuring unique one-dimensional [Nb<sub>7</sub>O<sub>30</sub>]<sub>∞</sub> chains and wide mid-IR transparency.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2696","2702","10.1039/d3dt04267g","","","0.71073","MoKα","","0.1215","0.062","","","0.1351","0.1672","","","","","","1.009","","","","has coordinates","290180","2024-03-04","20:18:06",""
"7714934","10.4466","0.0004","14.3125","0.0006","14.7885","0.0007","90","","90","","90","","2211.13","0.16","153","2","153","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H27 Cl4 Mn2 N O6 -","- C13 H27 Cl4 Mn2 N O6 -","- C52 H108 Cl16 Mn8 N4 O24 -","4","1","","Yuan, Guo-Jun; Pan, Xue-Wei; Chen, Li; Chen, Chao; Ren, Xiao-Ming","Supramolecular crystals of Mn(15-crown-5)(MnCl<sub>4</sub>)(DMF) with dielectric phase transition, high quantum yield and phase transition-induced luminescence enhancement behavior.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2687","2695","10.1039/d3dt03838f","","","0.71073","MoKα","","0.0355","0.0276","","","0.0508","0.0545","","","","","","1.065","","","","has coordinates,has disorder","290183","2024-03-04","20:18:37",""
"7714935","10.2522","0.0004","14.7124","0.0007","15.6349","0.0008","90","","90","","90","","2358.28","0.19","297","2","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H27 Cl4 Mn2 N O6 -","- C13 H27 Cl4 Mn2 N O6 -","- C52 H108 Cl16 Mn8 N4 O24 -","4","1","","Yuan, Guo-Jun; Pan, Xue-Wei; Chen, Li; Chen, Chao; Ren, Xiao-Ming","Supramolecular crystals of Mn(15-crown-5)(MnCl<sub>4</sub>)(DMF) with dielectric phase transition, high quantum yield and phase transition-induced luminescence enhancement behavior.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2687","2695","10.1039/d3dt03838f","","","0.71073","MoKα","","0.0876","0.0517","","","0.1064","0.1295","","","","","","1.065","","","","has coordinates,has disorder","290183","2024-03-04","20:18:39",""
"7714936","10.292","0.002","14.75","0.004","15.679","0.004","90","","90","","90","","2380.2","1","360","2","360","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H27 Cl4 Mn2 N O6 -","- C13 H27 Cl4 Mn2 N O6 -","- C52 H108 Cl16 Mn8 N4 O24 -","4","1","","Yuan, Guo-Jun; Pan, Xue-Wei; Chen, Li; Chen, Chao; Ren, Xiao-Ming","Supramolecular crystals of Mn(15-crown-5)(MnCl<sub>4</sub>)(DMF) with dielectric phase transition, high quantum yield and phase transition-induced luminescence enhancement behavior.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2687","2695","10.1039/d3dt03838f","","","0.71073","MoKα","","0.1072","0.062","","","0.1475","0.1832","","","","","","1.047","","","","has coordinates,has disorder","290183","2024-03-04","20:18:40",""
"7714937","28.4778","0.0018","28.4778","0.0018","47.72","0.003","90","","90","","90","","38700","4","120","","120","","","","","","","","","6","I 4/m","-I 4","87","","","","- C600 H928 Fe24 N160 O166 S24 -","- C336 H312 Fe24 N72 O78 S24 -","- C672 H624 Fe48 N144 O156 S48 -","2","0.125","","Dey, Avishek; Dworzak, Michael R.; Korathotage, Kaushalya D. P.; Ghosh, Munmun; Hoq, Jahidul; Montone, Christine M.; Yap, Glenn P. A.; Bloch, Eric D.","Increasing the stability of calixarene-capped porous cages through coordination sphere tuning.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4005","4009","10.1039/d3dt03365a","","","1.54178","CuKα","","0.1609","0.107","","","0.3049","0.3359","","","","","","1.076","","","","has coordinates","290217","2024-03-04","20:26:23",""
"7714938","28.324","0.002","28.324","0.002","47.231","0.006","90","","90","","90","","37891","6","100","","100","","","","","","","","","6","I 4/m","-I 4","87","","","","- C648 H1032 Co24 N176 O182 S24 -","- C336 H304 Co24 N72 O78 S24 -","- C672 H608 Co48 N144 O156 S48 -","2","0.125","","Dey, Avishek; Dworzak, Michael R.; Korathotage, Kaushalya D. P.; Ghosh, Munmun; Hoq, Jahidul; Montone, Christine M.; Yap, Glenn P. A.; Bloch, Eric D.","Increasing the stability of calixarene-capped porous cages through coordination sphere tuning.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4005","4009","10.1039/d3dt03365a","","","1.54178","CuKα","","0.1672","0.116","","","0.313","0.3541","","","","","","1.237","","","","has coordinates","290217","2024-03-04","20:26:32",""
"7714939","12.3693","0.001","27.89","0.002","31.192","0.002","104.673","0.004","97.371","0.004","98.45","0.005","10141.5","1.3","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C336 H462 Co16 N78 O88 S16 -","- C246 H242 Co16 N50 O54 S16 -","- C246 H242 Co16 N50 O54 S16 -","1","0.5","","Dey, Avishek; Dworzak, Michael R.; Korathotage, Kaushalya D. P.; Ghosh, Munmun; Hoq, Jahidul; Montone, Christine M.; Yap, Glenn P. A.; Bloch, Eric D.","Increasing the stability of calixarene-capped porous cages through coordination sphere tuning.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4005","4009","10.1039/d3dt03365a","","","1.54178","CuKα","","0.1438","0.1014","","","0.2713","0.3079","","","","","","1.034","","","","has coordinates,has disorder","290217","2024-03-04","20:26:33",""
"7714940","30.89","0.005","6.9726","0.001","21.83","0.003","90","","134.968","0.007","90","","3326.5","0.9","273","","273","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18.5 H17.75 Fe N3.25 O -","- C18 H17 Fe N3 O -","- C144 H136 Fe8 N24 O8 -","8","2","","Sindhu, M.; Kalaivani, P.; Prabusankar, G.; Sivasamy, R.; Prabhakaran, R.","Preparation of new organo-ruthenium(II) complexes and their nucleic acid/albumin binding efficiency and <i>in vitro</i> cytotoxicity studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3075","3096","10.1039/d3dt04017h","","","0.71073","MoKα","","0.0627","0.0371","","","0.0696","0.0776","","","","","","1.0203","","","","has coordinates,has disorder","290198","2024-03-04","20:22:19",""
"7714941","12.8511","0.0019","17.342","0.002","14.9551","0.0019","90","","98.046","0.005","90","","3300.1","0.7","273","","273","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 Cl3 Fe N3 O Ru -","- C34 H34 Cl3 Fe N3 O Ru -","- C136 H136 Cl12 Fe4 N12 O4 Ru4 -","4","1","","Sindhu, M.; Kalaivani, P.; Prabusankar, G.; Sivasamy, R.; Prabhakaran, R.","Preparation of new organo-ruthenium(II) complexes and their nucleic acid/albumin binding efficiency and <i>in vitro</i> cytotoxicity studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3075","3096","10.1039/d3dt04017h","","","0.71073","MoKα","","0.0679","0.0424","","","0.0988","0.1112","","","","","","1.0358","","","","has coordinates","290198","2024-03-04","20:22:19",""
"7714942","9.844","0.008","13.503","0.011","13.649","0.012","84.326","0.018","88.743","0.019","77.783","0.016","1764","3","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 Co F12 N2 O8 -","- C30 H22 Co F12 N2 O8 -","- C60 H44 Co2 F24 N4 O16 -","2","1","","Osipov, Nikita G.; Faraonov, Maxim A.; Yakushev, Ilya A.; Denisov, Nikolay N.; Otsuka, Akihiro; Kitagawa, Hiroshi; Konarev, Dmitri V.","Slow magnetic relaxation in a complex of photochromic spiropyran in a merocyanine form and cobalt(II) hexafluoroacetylacetonate.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3159","3166","10.1039/d3dt04253g","","","0.71073","MoKα","","0.0876","0.052","","","0.1248","0.1423","","","","","","1.037","","","","has coordinates,has disorder","290187","2024-03-04","20:19:14",""
"7714943","9.4583","0.0012","13.1429","0.0017","13.5183","0.0018","87.667","0.004","88.472","0.004","83.159","0.004","1666.7","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 Co F12 N2 O8 -","- C30 H22 Co F12 N2 O8 -","- C60 H44 Co2 F24 N4 O16 -","2","1","","Osipov, Nikita G.; Faraonov, Maxim A.; Yakushev, Ilya A.; Denisov, Nikolay N.; Otsuka, Akihiro; Kitagawa, Hiroshi; Konarev, Dmitri V.","Slow magnetic relaxation in a complex of photochromic spiropyran in a merocyanine form and cobalt(II) hexafluoroacetylacetonate.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3159","3166","10.1039/d3dt04253g","","","0.71073","MoKα","","0.1173","0.0573","","","0.1403","0.1686","","","","","","1.045","","","","has coordinates,has disorder","290187","2024-03-04","20:19:15",""
"7714944","8.6957","0.0002","10.8984","0.0002","20.7669","0.0004","93.436","0.002","101.986","0.002","111.088","0.002","1776.57","0.07","99","3","98.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C70 H70 Co2 F12 N12 O6 P2 -","- C70 H70 Co2 F12 N12 O6 P2 -","- C70 H70 Co2 F12 N12 O6 P2 -","1","0.5","","Fischer, Tristan E.; Janetzki, Jett T.; M Zahir, F Zahra; Gable, Robert W.; Starikova, Alyona A.; Boskovic, Colette","Tuning valence tautomerism in a family of dinuclear cobalt complexes incorporating a conjugated bridging bis(dioxolene) ligand with weak communication.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3104","3117","10.1039/d3dt04162j","","","1.54184","CuKα","","0.0804","0.0732","","","0.197","0.2122","","","","","","1.083","","","","has coordinates","290197","2024-03-04","20:21:46",""
"7714945","15.396","0.003","13.874","0.003","16.953","0.003","90","","112.52","0.03","90","","3345.1","1.4","100","0.2","100","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H72 Co2 F12 N10 O8 P2 -","- C64 H72 Co2 F12 N10 O8 P2 -","- C128 H144 Co4 F24 N20 O16 P4 -","2","0.5","","Fischer, Tristan E.; Janetzki, Jett T.; M Zahir, F Zahra; Gable, Robert W.; Starikova, Alyona A.; Boskovic, Colette","Tuning valence tautomerism in a family of dinuclear cobalt complexes incorporating a conjugated bridging bis(dioxolene) ligand with weak communication.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3104","3117","10.1039/d3dt04162j","","","0.71092","Synchrotron","","0.0503","0.0456","","","0.1286","0.133","","","","","","1.06","","","","has coordinates","290197","2024-03-04","20:21:46",""
"7714946","10.813","0.002","13.371","0.003","22.478","0.005","90","","103.68","0.03","90","","3157.7","1.2","100","0.2","100","0.2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C57.8 H57.6 Cl3.6 Co2 F12 N10 O6 P2 -","- C56 H54 Co2 F12 N10 O6 P2 -","- C112 H108 Co4 F24 N20 O12 P4 -","2","0.5","","Fischer, Tristan E.; Janetzki, Jett T.; M Zahir, F Zahra; Gable, Robert W.; Starikova, Alyona A.; Boskovic, Colette","Tuning valence tautomerism in a family of dinuclear cobalt complexes incorporating a conjugated bridging bis(dioxolene) ligand with weak communication.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3104","3117","10.1039/d3dt04162j","","","0.71073","Synchrotron","","0.1418","0.0893","","","0.2356","0.2776","","","","","","0.917","","","","has coordinates,has disorder","290197","2024-03-04","20:21:46",""
"7714947","10.0855","0.0009","14.798","0.0011","16.4672","0.0013","101.388","0.002","106.123","0.002","103.595","0.002","2202.1","0.3","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C19 H14 Br Cl3 Mn N3 O3 -","- C19 H14 Br Cl3 Mn N3 O3 -","- C76 H56 Br4 Cl12 Mn4 N12 O12 -","4","2","","Jalwal, Sachin; Regina, Anitta; Atreya, Vaishnavi; Paranjothy, Manikandan; Chakraborty, Subrata","NNN manganese complex-catalyzed α-alkylation of methyl ketones using alcohols: an experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3236","3243","10.1039/d3dt04321e","","","0.71073","MoKα","","0.0666","0.0416","","","0.0878","0.0974","","","","","","1.021","","","","has coordinates","290190","2024-03-04","20:20:02",""
"7714948","13.7425","0.0003","13.5084","0.0002","27.6067","0.0004","90","","91.845","0.002","90","","5122.23","0.15","100.01","0.11","100.01","0.11","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C61 H80 Cl6 Fe8 N10 O50 Y2 -","- C61 H80 Cl6 Fe8 N10 O50 Y2 -","- C122 H160 Cl12 Fe16 N20 O100 Y4 -","2","0.5","","Chen, Man-Ting; Zhao, Hai-Xia; Long, La-Sheng; Zheng, Lan-Sun","Single-molecule magnet behavior in heterometallic decanuclear [Ln<sub>2</sub>Fe<sub>8</sub>] (Ln = Y, Dy, Ho, Tb, Gd) coordination clusters.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3097","3103","10.1039/d3dt03832g","","x-ray","1.54184","CuKα","","0.0942","0.0701","","","0.1879","0.2089","","","","","","1.017","","","","has coordinates,has disorder","290189","2024-03-04","20:19:55",""
"7714949","13.6194","0.0004","13.4851","0.0003","27.7249","0.0005","90","","91.36","0.002","90","","5090.5","0.2","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H78 Cl6 Fe8 N10 O49 Tb2 -","- C60 H78 Cl6 Fe8 N10 O49 Tb2 -","- C120 H156 Cl12 Fe16 N20 O98 Tb4 -","2","0.5","","Chen, Man-Ting; Zhao, Hai-Xia; Long, La-Sheng; Zheng, Lan-Sun","Single-molecule magnet behavior in heterometallic decanuclear [Ln<sub>2</sub>Fe<sub>8</sub>] (Ln = Y, Dy, Ho, Tb, Gd) coordination clusters.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3097","3103","10.1039/d3dt03832g","","x-ray","1.54184","CuKα","","0.1073","0.0816","","","0.2179","0.2413","","","","","","1.055","","","","has coordinates","290189","2024-03-04","20:19:55",""
"7714950","13.7852","0.0002","13.5126","0.0002","27.5746","0.0003","90","","91.73","0.001","90","","5134.09","0.12","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C61 H66 Cl6 Fe8 Ho2 N10 O52 -","- C61 H66 Cl6 Fe8 Ho2 N10 O52 -","- C122 H132 Cl12 Fe16 Ho4 N20 O104 -","2","0.5","","Chen, Man-Ting; Zhao, Hai-Xia; Long, La-Sheng; Zheng, Lan-Sun","Single-molecule magnet behavior in heterometallic decanuclear [Ln<sub>2</sub>Fe<sub>8</sub>] (Ln = Y, Dy, Ho, Tb, Gd) coordination clusters.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3097","3103","10.1039/d3dt03832g","","x-ray","1.54184","CuKα","","0.0747","0.0643","","","0.1942","0.2052","","","","","","1.057","","","","has coordinates,has disorder","290189","2024-03-04","20:19:55",""
"7714951","13.863","0.0003","13.5261","0.0003","27.5985","0.0004","90","","91.729","0.002","90","","5172.7","0.18","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C61 H69 Cl6 Fe8 Gd2 N10 O50 -","- C61 H69 Cl6 Fe8 Gd2 N10 O50 -","- C122 H138 Cl12 Fe16 Gd4 N20 O100 -","2","0.5","","Chen, Man-Ting; Zhao, Hai-Xia; Long, La-Sheng; Zheng, Lan-Sun","Single-molecule magnet behavior in heterometallic decanuclear [Ln<sub>2</sub>Fe<sub>8</sub>] (Ln = Y, Dy, Ho, Tb, Gd) coordination clusters.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3097","3103","10.1039/d3dt03832g","","","1.54184","CuKα","","0.0999","0.0875","","","0.241","0.2629","","","","","","1.04","","","","has coordinates,has disorder","290189","2024-03-04","20:19:55",""
"7714952","13.683","0.0004","13.498","0.0003","27.6595","0.0005","90","","91.624","0.002","90","","5106.5","0.2","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C61 H80 Cl6 Dy2 Fe8 N10 O50 -","- C61 H80 Cl6 Dy2 Fe8 N10 O50 -","- C122 H160 Cl12 Dy4 Fe16 N20 O100 -","2","0.5","","Chen, Man-Ting; Zhao, Hai-Xia; Long, La-Sheng; Zheng, Lan-Sun","Single-molecule magnet behavior in heterometallic decanuclear [Ln<sub>2</sub>Fe<sub>8</sub>] (Ln = Y, Dy, Ho, Tb, Gd) coordination clusters.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3097","3103","10.1039/d3dt03832g","","x-ray","1.54184","CuKα","","0.0908","0.0701","","","0.1942","0.2118","","","","","","1.031","","","","has coordinates,has disorder","290189","2024-03-04","20:19:55",""
"7714953","14.0169","0.0005","16.3104","0.0006","16.328","0.0006","94.93","0.002","103.562","0.002","109.844","0.002","3357","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H42 N4 O4 -","- C30 H42 N4 O4 -","- C120 H168 N16 O16 -","4","2","","Avagyan, Nane A.; Lemport, Pavel S.; Roznyatovsky, Vitaly A.; Averin, Alexei D.; Yakushev, Alexei A.; Lyssenko, Konstantin A.; Perfilyev, Pavel D.; Isakovskaya, Ksenia L.; Aksenova, Svetlana A.; Nelyubina, Yulia V.; Vokuev, Mikhail F.; Rodin, Igor A.; Gloriozov, Igor P.; Ustynyuk, Yuri A.; Nenajdenko, Valentine G.","First 4,7-oxygenated 1,10-phenanthroline-2,9-diamides: synthesis, tautomerism and complexation with REE nitrates.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3052","3064","10.1039/d3dt03643j","","","0.71073","MoKα","","0.1312","0.0708","","","0.1776","0.2256","","","","","","1.033","","","","has coordinates,has disorder","290199","2024-03-04","20:22:37",""
"7714954","20.2198","0.0005","31.5715","0.0007","27.0149","0.0007","90","","111.67","0.0016","90","","16026.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35.5 H35.75 Eu N8.75 O13.25 -","- C35 H35 Eu N8.5 O13.25 -","- C560 H560 Eu16 N136 O212 -","16","4","","Avagyan, Nane A.; Lemport, Pavel S.; Roznyatovsky, Vitaly A.; Averin, Alexei D.; Yakushev, Alexei A.; Lyssenko, Konstantin A.; Perfilyev, Pavel D.; Isakovskaya, Ksenia L.; Aksenova, Svetlana A.; Nelyubina, Yulia V.; Vokuev, Mikhail F.; Rodin, Igor A.; Gloriozov, Igor P.; Ustynyuk, Yuri A.; Nenajdenko, Valentine G.","First 4,7-oxygenated 1,10-phenanthroline-2,9-diamides: synthesis, tautomerism and complexation with REE nitrates.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3052","3064","10.1039/d3dt03643j","","x-ray","0.71073","MoKα","","0.1529","0.0823","","","0.1736","0.2076","","","","","","1.024","","","","has coordinates,has disorder","290199","2024-03-04","20:22:38",""
"7714955","11.7267","0.0003","9.391","0.0003","13.8172","0.0004","90","","109.048","0.001","90","","1438.31","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H48 B18 Fe N4 -","- C16 H48 B18 Fe N4 -","- C32 H96 B36 Fe2 N8 -","2","0.5","","Stogniy, Marina Yu; Anufriev, Sergey A.; Bogdanova, Ekaterina V.; Gorodetskaya, Nadezhda A.; Anisimov, Alexei A.; Suponitsky, Kyrill Yu; Grishin, Ivan D.; Sivaev, Igor B.","Charge-compensated <i>nido</i>-carborane derivatives in the synthesis of iron(II) bis(dicarbollide) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3363","3376","10.1039/d3dt03549b","","","0.71073","MoKα","","0.0545","0.0327","","","0.078","0.082","","","","","","1.059","","","","has coordinates","290195","2024-03-04","20:21:15",""
"7714956","9.237","0.003","14.462","0.005","13.944","0.004","90","","95.624","0.01","90","","1853.7","1","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H60 B18 Fe N4 O4 -","- C22 H60 B18 Fe N4 O4 -","- C44 H120 B36 Fe2 N8 O8 -","2","0.5","","Stogniy, Marina Yu; Anufriev, Sergey A.; Bogdanova, Ekaterina V.; Gorodetskaya, Nadezhda A.; Anisimov, Alexei A.; Suponitsky, Kyrill Yu; Grishin, Ivan D.; Sivaev, Igor B.","Charge-compensated <i>nido</i>-carborane derivatives in the synthesis of iron(II) bis(dicarbollide) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3363","3376","10.1039/d3dt03549b","","","0.71073","MoKα","","0.0416","0.031","","","0.0793","0.0827","","","","","","1.13","","","","has coordinates","290195","2024-03-04","20:21:15",""
"7714957","7.1922","0.0004","9.387","0.0005","9.7241","0.0005","83.2196","0.0016","79.4482","0.0016","79.3657","0.0016","631.9","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H40 B18 Fe O2 -","- C14 H40 B18 Fe O2 -","- C14 H40 B18 Fe O2 -","1","0.5","","Stogniy, Marina Yu; Anufriev, Sergey A.; Bogdanova, Ekaterina V.; Gorodetskaya, Nadezhda A.; Anisimov, Alexei A.; Suponitsky, Kyrill Yu; Grishin, Ivan D.; Sivaev, Igor B.","Charge-compensated <i>nido</i>-carborane derivatives in the synthesis of iron(II) bis(dicarbollide) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3363","3376","10.1039/d3dt03549b","","","0.71073","MoKα","","0.0431","0.0335","","","0.0789","0.0813","","","","","","1.077","","","","has coordinates","290195","2024-03-04","20:21:15",""
"7714958","10.3079","0.0006","7.8554","0.0005","14.939","0.0009","90","","98.053","0.002","90","","1197.72","0.13","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H36 B18 Fe O4 -","- C12 H36 B18 Fe O4 -","- C24 H72 B36 Fe2 O8 -","2","0.5","","Stogniy, Marina Yu; Anufriev, Sergey A.; Bogdanova, Ekaterina V.; Gorodetskaya, Nadezhda A.; Anisimov, Alexei A.; Suponitsky, Kyrill Yu; Grishin, Ivan D.; Sivaev, Igor B.","Charge-compensated <i>nido</i>-carborane derivatives in the synthesis of iron(II) bis(dicarbollide) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3363","3376","10.1039/d3dt03549b","","","0.71073","MoKα","","0.0641","0.0344","","","0.0763","0.0857","","","","","","1.035","","","","has coordinates","290195","2024-03-04","20:21:15",""
"7714959","13.5862","0.0008","19.2934","0.0011","9.704","0.0005","90","","93.0356","0.0018","90","","2540.1","0.2","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H40 B18 Fe O2 -","- C12 H40 B18 Fe O2 -","- C48 H160 B72 Fe4 O8 -","4","1","","Stogniy, Marina Yu; Anufriev, Sergey A.; Bogdanova, Ekaterina V.; Gorodetskaya, Nadezhda A.; Anisimov, Alexei A.; Suponitsky, Kyrill Yu; Grishin, Ivan D.; Sivaev, Igor B.","Charge-compensated <i>nido</i>-carborane derivatives in the synthesis of iron(II) bis(dicarbollide) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3363","3376","10.1039/d3dt03549b","","","0.71073","MoKα","","0.064","0.0397","","","0.0843","0.0899","","","","","","0.987","","","","has coordinates","290195","2024-03-04","20:21:15",""
"7714960","20.0972","0.0018","8.3625","0.0008","13.9406","0.0012","90","","90.145","0.004","90","","2342.9","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H36 B18 Fe O2 -","- C12 H36 B18 Fe O2 -","- C48 H144 B72 Fe4 O8 -","4","1","","Stogniy, Marina Yu; Anufriev, Sergey A.; Bogdanova, Ekaterina V.; Gorodetskaya, Nadezhda A.; Anisimov, Alexei A.; Suponitsky, Kyrill Yu; Grishin, Ivan D.; Sivaev, Igor B.","Charge-compensated <i>nido</i>-carborane derivatives in the synthesis of iron(II) bis(dicarbollide) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3363","3376","10.1039/d3dt03549b","","","0.71073","MoKα","","0.0876","0.0589","","","0.1399","0.1555","","","","","","0.993","","","","has coordinates","290195","2024-03-04","20:21:15",""
"7714961","12.079","0.0008","12.1128","0.0008","17.1247","0.001","71.165","0.002","77.178","0.002","60.214","0.002","2052.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- B12 Ba3 O24 Zn3 -","- B12 Ba3 O24 Zn3 -","- B48 Ba12 O96 Zn12 -","4","2","","Liu, Naijia; Chen, Nianmin; Wang, Yunjian; Kong, Juanjuan; Wang, Zhe","Cation vacancy-boosted BaZnB<sub>4</sub>O<sub>8</sub>:<i>x</i>Eu<sup>3+</sup> phosphors with high quantum yield and thermal stability for pc-WLEDs.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","1966","1976","10.1039/d3dt04090a","","","0.71073","MoKα","","0.0247","0.0204","","","0.0505","0.0524","","","","","","1.178","","","","has coordinates","289484","2024-02-04","11:50:16",""
"7714962","9.2829","0.0006","28.894","0.002","10.1698","0.0009","90","","99.487","0.007","90","","2690.4","0.4","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 Cl Co N6 O2 S -","- C28 H21 Cl Co N6 O2 S -","- C112 H84 Cl4 Co4 N24 O8 S4 -","4","1","","Villa-Pérez, Cristian; Zabala-Lekuona, Andoni; Vitorica-Yrezabal, Iñigo J; Seco, José Manuel; Cepeda, Javier; Echeverría, Gustavo Alberto; Soria, Delia Beatriz","Spin canting and slow magnetic relaxation in mononuclear cobalt(II) sulfadiazine ternary complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3254","3266","10.1039/d3dt02359a","","x-ray","0.71073","MoKα","","0.1606","0.071","","","0.1236","0.1576","","","","","","1.024","","","","has coordinates","290186","2024-03-04","20:19:07",""
"7714963","11.1595","0.0007","17.8542","0.0011","16.0849","0.0008","90","","90","","90","","3204.8","0.3","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C32 H26 Co N10 O4 S2 -","- C32 H26 Co N10 O4 S2 -","- C128 H104 Co4 N40 O16 S8 -","4","1","","Villa-Pérez, Cristian; Zabala-Lekuona, Andoni; Vitorica-Yrezabal, Iñigo J; Seco, José Manuel; Cepeda, Javier; Echeverría, Gustavo Alberto; Soria, Delia Beatriz","Spin canting and slow magnetic relaxation in mononuclear cobalt(II) sulfadiazine ternary complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3254","3266","10.1039/d3dt02359a","","x-ray","0.71073","MoKα","","0.0927","0.0523","","","0.0884","0.1054","","","","","","1.047","","","","has coordinates","290186","2024-03-04","20:19:07",""
"7714964","9.1866","0.0003","28.6498","0.001","10.0473","0.0004","90","","99.955","0.004","90","","2604.58","0.17","232","80","232","80","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 Cl N6 Ni O2 S -","- C28 H21 Cl N6 Ni O2 S -","- C112 H84 Cl4 N24 Ni4 O8 S4 -","4","1","","Villa-Pérez, Cristian; Zabala-Lekuona, Andoni; Vitorica-Yrezabal, Iñigo J; Seco, José Manuel; Cepeda, Javier; Echeverría, Gustavo Alberto; Soria, Delia Beatriz","Spin canting and slow magnetic relaxation in mononuclear cobalt(II) sulfadiazine ternary complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3254","3266","10.1039/d3dt02359a","","x-ray","0.71073","MoKα","","0.081","0.0451","","","0.0965","0.1068","","","","","","1.058","","","","has coordinates","290186","2024-03-04","20:19:07",""
"7714965","11.1025","0.0017","16.132","0.003","17.708","0.003","111.734","0.007","93.802","0.007","106.978","0.006","2762.9","0.8","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C96 H88 B2 Cl2 Fe4 N26 O8 -","- C96 H88 B2 Cl2 Fe4 N26 O8 -","- C96 H88 B2 Cl2 Fe4 N26 O8 -","1","0.5","","Jia, Shuwen; Shang, Mengjia; Jin, Sai; Zhu, Xinrui; Cai, Yuanyuan; Li, Dongfeng","Electron transfer coupled spin transition in cyano-bridged mixed-valence {FeIII2FeII2} molecular squares.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2807","2814","10.1039/d3dt03208f","","","1.34139","GaKα","","0.0688","0.0615","","","0.1779","0.185","","","","","","1.061","","","","has coordinates,has disorder","290173","2024-03-04","20:16:22",""
"7714966","11.646","0.002","14.444","0.003","16.283","0.003","107.241","0.008","94.91","0.008","104.543","0.008","2493.9","0.8","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C96 H88 B2 Cl2 Fe4 N26 O8 -","- C96 H88 B2 Cl2 Fe4 N26 O8 -","- C96 H88 B2 Cl2 Fe4 N26 O8 -","1","0.5","","Jia, Shuwen; Shang, Mengjia; Jin, Sai; Zhu, Xinrui; Cai, Yuanyuan; Li, Dongfeng","Electron transfer coupled spin transition in cyano-bridged mixed-valence {FeIII2FeII2} molecular squares.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2807","2814","10.1039/d3dt03208f","","x-ray","1.34139","Synchrotron","GaKα","0.1217","0.072","","","0.1939","0.2288","","","","","","1.023","","","","has coordinates","290173","2024-03-04","20:16:22",""
"7714967","10.998","0.003","15.766","0.005","16.541","0.005","110.445","0.004","93.745","0.005","108.936","0.004","2489.8","1.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C96 H88 B2 Cl2 Fe4 N26 O8 -","- C96 H88 B2 Cl2 Fe4 N26 O8 -","- C96 H88 B2 Cl2 Fe4 N26 O8 -","1","0.5","","Jia, Shuwen; Shang, Mengjia; Jin, Sai; Zhu, Xinrui; Cai, Yuanyuan; Li, Dongfeng","Electron transfer coupled spin transition in cyano-bridged mixed-valence {FeIII2FeII2} molecular squares.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2807","2814","10.1039/d3dt03208f","","","0.71073","MoKα","","0.1257","0.0886","","","0.2406","0.2725","","","","","","1.033","","","","has coordinates,has disorder","290173","2024-03-04","20:16:22",""
"7714968","10.9642","0.0012","15.8155","0.0019","17.507","0.002","111.488","0.005","93.295","0.005","106.62","0.004","2661.6","0.5","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C96 H88 B2 Cl2 Fe4 N26 O8 -","- C96 H88 B2 Cl2 Fe4 N26 O8 -","- C96 H88 B2 Cl2 Fe4 N26 O8 -","1","0.5","","Jia, Shuwen; Shang, Mengjia; Jin, Sai; Zhu, Xinrui; Cai, Yuanyuan; Li, Dongfeng","Electron transfer coupled spin transition in cyano-bridged mixed-valence {FeIII2FeII2} molecular squares.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2807","2814","10.1039/d3dt03208f","","","1.34139","GaKα","","0.0448","0.0384","","","0.1041","0.1074","","","","","","1.059","","","","has coordinates,has disorder","290173","2024-03-04","20:16:22",""
"7714969","11.684","0.002","14.378","0.003","16.243","0.003","107.075","0.009","94.534","0.01","104.418","0.009","2491.9","0.8","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C96 H88 B2 Cl2 Fe4 N26 O8 -","- C96 H88 B2 Cl2 Fe4 N26 O8 -","- C96 H88 B2 Cl2 Fe4 N26 O8 -","1","0.5","","Jia, Shuwen; Shang, Mengjia; Jin, Sai; Zhu, Xinrui; Cai, Yuanyuan; Li, Dongfeng","Electron transfer coupled spin transition in cyano-bridged mixed-valence {FeIII2FeII2} molecular squares.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2807","2814","10.1039/d3dt03208f","","x-ray","1.34139","Synchrotron","GaKα","0.1157","0.079","","","0.2063","0.2287","","","","","","1.038","","","","has coordinates","290173","2024-03-04","20:16:22",""
"7714970","11.0057","0.0009","15.852","0.0014","17.6035","0.0016","111.57","0.003","93.521","0.004","106.655","0.003","2687.9","0.4","165","","165","","","","","","","","","7","P -1","-P 1","2","","","","- C96 H88 B2 Cl2 Fe4 N26 O8 -","- C96 H88 B2 Cl2 Fe4 N26 O8 -","- C96 H88 B2 Cl2 Fe4 N26 O8 -","1","0.5","","Jia, Shuwen; Shang, Mengjia; Jin, Sai; Zhu, Xinrui; Cai, Yuanyuan; Li, Dongfeng","Electron transfer coupled spin transition in cyano-bridged mixed-valence {FeIII2FeII2} molecular squares.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2807","2814","10.1039/d3dt03208f","","","1.34139","GaKα","","0.0615","0.0543","","","0.1512","0.1562","","","","","","1.062","","","","has coordinates,has disorder","290173","2024-03-04","20:16:22",""
"7714971","8.6163","0.0014","9.7354","0.0017","12.3722","0.0018","90","","93.861","0.015","90","","1035.5","0.3","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H22 Al2 N2 O20 P4 -","- C6 H22 Al2 N2 O20 P4 -","- C12 H44 Al4 N4 O40 P8 -","2","0.5","","Pan, Tian-Yu; Wen, Wei-Yang; Ma, Wen; Zheng, Shou-Tian; Feng, Mei-Ling; Huang, Xiao-Ying","New group IIIA metal phosphate-oxalates containing dimethylammonium cations with proton conductivity.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2318","2323","10.1039/d3dt03368f","","","0.71073","MoKα","","0.0731","0.045","","","0.0995","0.1146","","","","","","1.022","","","","has coordinates","289473","2024-02-04","11:47:33",""
"7714972","8.5858","0.001","9.7952","0.0013","12.5984","0.0015","90","","94.08","0.012","90","","1056.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H22 Ga2 N2 O20 P4 -","- C6 H22 Ga2 N2 O20 P4 -","- C12 H44 Ga4 N4 O40 P8 -","2","0.5","","Pan, Tian-Yu; Wen, Wei-Yang; Ma, Wen; Zheng, Shou-Tian; Feng, Mei-Ling; Huang, Xiao-Ying","New group IIIA metal phosphate-oxalates containing dimethylammonium cations with proton conductivity.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2318","2323","10.1039/d3dt03368f","","","0.71073","MoKα","","0.0572","0.04","","","0.0721","0.0817","","","","","","1.056","","","","has coordinates","289473","2024-02-04","11:47:33",""
"7714973","8.9536","0.0001","10.269","0.0001","13.1629","0.0001","90","","95.543","0.001","90","","1204.6","0.02","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C6 H24 In2 N2 O21 P4 -","- C6 H24 In2 N2 O21 P4 -","- C12 H48 In4 N4 O42 P8 -","2","1","","Pan, Tian-Yu; Wen, Wei-Yang; Ma, Wen; Zheng, Shou-Tian; Feng, Mei-Ling; Huang, Xiao-Ying","New group IIIA metal phosphate-oxalates containing dimethylammonium cations with proton conductivity.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2318","2323","10.1039/d3dt03368f","","","1.54178","CuKα","","0.0308","0.0305","","","0.0788","0.0791","","","","","","1.046","","","","has coordinates","289473","2024-02-04","11:47:33",""
"7714974","6.0386","0.0001","8.8061","0.0002","9.1295","0.0002","69.581","0.002","81.532","0.002","83.003","0.002","448.71","0.017","302.3","0.1","302.3","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C6 F6 Na4 O12 Sn4 -","- C6 F6 Na4 O12 Sn4 -","- C6 F6 Na4 O12 Sn4 -","1","0.5","","Ren, Liying; Yin, Zeqiao; Wang, Shiyi; Lin, Zhengyan; Cao, Liling; Dong, Xuehua; Huang, Ling; Zhou, Yuqiao; Gao, Daojiang; Zou, Guohong","Na<sub>4</sub>Sn<sub>4</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>F<sub>6</sub> and NaSnC<sub>2</sub>O<sub>4</sub>F·H<sub>2</sub>O: two tin(II) fluoride oxalates display large birefringence.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2619","2625","10.1039/d3dt04286c","","x-ray","0.71073","MoKα","","0.0226","0.0202","","","0.0467","0.0483","","","","","","1.021","","","","has coordinates","290174","2024-03-04","20:16:37",""
"7714975","5.988","0.0003","7.2468","0.0004","8.2925","0.0004","111.02","0.005","107.986","0.004","96.873","0.004","308.54","0.03","299.69","0.1","299.69","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C2 H2 F Na O5 Sn -","- C2 H2 F Na O5 Sn -","- C4 H4 F2 Na2 O10 Sn2 -","2","1","","Ren, Liying; Yin, Zeqiao; Wang, Shiyi; Lin, Zhengyan; Cao, Liling; Dong, Xuehua; Huang, Ling; Zhou, Yuqiao; Gao, Daojiang; Zou, Guohong","Na<sub>4</sub>Sn<sub>4</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>F<sub>6</sub> and NaSnC<sub>2</sub>O<sub>4</sub>F·H<sub>2</sub>O: two tin(II) fluoride oxalates display large birefringence.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2619","2625","10.1039/d3dt04286c","","x-ray","0.71073","MoKα","","0.03","0.027","","","0.0589","0.0605","","","","","","0.984","","","","has coordinates","290174","2024-03-04","20:16:37",""
"7714976","19.8086","0.0008","16.9349","0.0006","20.8369","0.0007","90","","99.892","0.003","90","","6886","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H33 N8 O42 P W12 -","- C28 H33 N8 O42 P W12 -","- C112 H132 N32 O168 P4 W48 -","4","0.5","","Chen, Yue-Chen; Di, Yi-Ming; Zhang, Shu-Quan; Lin, Mei-Jin","Polyoxometalate/<i>s</i>-triazine hybrid heterostructures with ultrafast photochromic properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3215","3223","10.1039/d3dt04157c","","","0.71073","MoKα","","0.0599","0.041","","","0.0864","0.0923","","","","","","1.045","","","","has coordinates","290188","2024-03-04","20:19:27",""
"7714977","13.8694","0.0004","14.4842","0.0004","17.5681","0.0006","90","","104.594","0.003","90","","3415.34","0.19","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Cl2 N14 O40 Si W12 -","- C40 H36 Cl2 N14 O40 Si W12 -","- C80 H72 Cl4 N28 O80 Si2 W24 -","2","0.5","","Chen, Yue-Chen; Di, Yi-Ming; Zhang, Shu-Quan; Lin, Mei-Jin","Polyoxometalate/<i>s</i>-triazine hybrid heterostructures with ultrafast photochromic properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3215","3223","10.1039/d3dt04157c","","","0.71073","MoKα","","0.0654","0.053","","","0.1043","0.1081","","","","","","1.182","","","","has coordinates,has disorder","290188","2024-03-04","20:19:35",""
"7714978","14.4362","0.0003","14.4362","0.0003","18.673","0.0004","90","","90","","120","","3370.16","0.12","293","2","293","2","","","","","","","","7","P 63","P 6c","173","","","","- C33 H42 Cl Mo12 N9 O43 P -","- C33 H42 Cl Mo12 N9 O43 P -","- C66 H84 Cl2 Mo24 N18 O86 P2 -","2","0.333333","","Chen, Yue-Chen; Di, Yi-Ming; Zhang, Shu-Quan; Lin, Mei-Jin","Polyoxometalate/<i>s</i>-triazine hybrid heterostructures with ultrafast photochromic properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3215","3223","10.1039/d3dt04157c","","","0.71073","MoKα","","0.0316","0.0305","","","0.0898","0.0905","","","","","","1.125","","","","has coordinates","290188","2024-03-04","20:19:36",""
"7714979","13.2182","0.0004","10.4154","0.0003","22.7385","0.0007","90","","92.724","0.003","90","","3126.94","0.16","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H27 N12 O40 P W12 -","- C36 H27 N12 O40 P W12 -","- C72 H54 N24 O80 P2 W24 -","2","0.5","","Chen, Yue-Chen; Di, Yi-Ming; Zhang, Shu-Quan; Lin, Mei-Jin","Polyoxometalate/<i>s</i>-triazine hybrid heterostructures with ultrafast photochromic properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3215","3223","10.1039/d3dt04157c","","","0.71073","MoKα","","0.0708","0.0554","","","0.1483","0.1588","","","","","","1.037","","","","has coordinates,has disorder","290188","2024-03-04","20:19:36",""
"7714980","13.162","0.0003","26.0801","0.0006","13.5797","0.0004","90","","94.001","0.002","90","","4650.1","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H16 Cl Cu F N2 O7 -","- C27 H16 Cl Cu F N2 O7 -","- C216 H128 Cl8 Cu8 F8 N16 O56 -","8","2","","Das, Namisha; Bora, Bidisha; Upadhyay, Aarti; Das, Dhananjay; Bera, Arpan; Goswami, Tridib K.","Cu(II) flavonoids as potential photochemotherapeutic agents.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3316","3329","10.1039/d3dt02663a","","","0.71073","MoKα","","0.0787","0.0655","","","0.181","0.1897","","","","","","1.08","","","","has coordinates","294865","2024-09-24","08:56:35",""
"7714981","5.4597","0.0005","11.4059","0.0012","18.188","0.0016","90","","90","","90","","1132.62","0.19","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H10 O3 -","- C15 H10 O3 -","- C60 H40 O12 -","4","1","","Das, Namisha; Bora, Bidisha; Upadhyay, Aarti; Das, Dhananjay; Bera, Arpan; Goswami, Tridib K.","Cu(II) flavonoids as potential photochemotherapeutic agents.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3316","3329","10.1039/d3dt02663a","","","0.71073","MoKα","","0.0514","0.0407","","","0.0872","0.0923","","","","","","1.06","","","","has coordinates","290193","2024-03-04","20:20:30",""
"7714982","10.7113","0.0018","15.507","0.002","7.1679","0.001","90","","91","","90","","1190.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H8 F2 O3 -","- C15 H8 F2 O3 -","- C60 H32 F8 O12 -","4","1","","Das, Namisha; Bora, Bidisha; Upadhyay, Aarti; Das, Dhananjay; Bera, Arpan; Goswami, Tridib K.","Cu(II) flavonoids as potential photochemotherapeutic agents.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3316","3329","10.1039/d3dt02663a","","","0.71073","MoKα","","0.0803","0.0643","","","0.1613","0.1771","","","","","","1.072","","","","has coordinates","290193","2024-03-04","20:20:30",""
"7714983","10.1731","0.0004","7.5558","0.0003","10.3974","0.0004","90","","99.273","0.001","90","","788.76","0.05","273","2","273","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C4 H14 Br6 N2 Sn -","- C4 H14 Br6 N2 Sn -","- C8 H28 Br12 N4 Sn2 -","2","0.5","","Vishwajith, Nagale S.; Sharma, Mridul Krishna; Jain, Isha; Vishnoi, Pratap","[NH<sub>3</sub>(CH<sub>2</sub>)<sub>4</sub>NH<sub>3</sub>]SnX<sub>4</sub> (X = Br, I): Dion-Jacobson type 2-D perovskites with short interlayer spacing.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2465","2470","10.1039/d3dt03772j","","","0.71073","MoKα","","0.068","0.0577","","","0.1727","0.1844","","","","","","1.023","","","","has coordinates","290171","2024-03-04","20:15:58",""
"7714984","8.4665","0.0008","8.8203","0.0007","11.2697","0.001","77.434","0.003","68.287","0.003","89.901","0.003","760.26","0.12","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C H3.5 I N0.5 Sn0.25 -","- C H3.5 I N0.5 Sn0.25 -","- C8 H28 I8 N4 Sn2 -","8","4","","Vishwajith, Nagale S.; Sharma, Mridul Krishna; Jain, Isha; Vishnoi, Pratap","[NH<sub>3</sub>(CH<sub>2</sub>)<sub>4</sub>NH<sub>3</sub>]SnX<sub>4</sub> (X = Br, I): Dion-Jacobson type 2-D perovskites with short interlayer spacing.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2465","2470","10.1039/d3dt03772j","","","0.71073","MoKα","","0.0611","0.0459","","","0.1288","0.1377","","","","","","1.079","","","","has coordinates","290171","2024-03-04","20:15:59",""
"7714985","11.6179","0.0005","11.8042","0.0005","19.4177","0.0008","90","","100.415","0.002","90","","2619.07","0.19","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H14 Br4 N2 Sn -","- C4 H14 Br4 N2 Sn -","- C32 H112 Br32 N16 Sn8 -","8","1","","Vishwajith, Nagale S.; Sharma, Mridul Krishna; Jain, Isha; Vishnoi, Pratap","[NH<sub>3</sub>(CH<sub>2</sub>)<sub>4</sub>NH<sub>3</sub>]SnX<sub>4</sub> (X = Br, I): Dion-Jacobson type 2-D perovskites with short interlayer spacing.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2465","2470","10.1039/d3dt03772j","","","0.71073","MoKα","","0.0956","0.0432","","","0.0654","0.0777","","","","","","0.97","","","","has coordinates","290171","2024-03-04","20:15:59",""
"7714986","8.117","0.002","10.258","0.003","15.819","0.005","89.981","0.009","85.861","0.008","68.598","0.007","1222.7","0.6","100","","100","","","","","","","","","4","P -1","-P 1","2","(Eind)(O=)P=P(Eind)","Eind diphosphene oxide","","- C56 H90 O P2 -","- C56 H90 O P2 -","- C56 H90 O P2 -","1","0.5","","Kawase, Yuria; Tsujimoto, Shota; Obayashi, Tomohiro; Kimura, Satoshi; Ito, Kanta; Ikoma, Shotaro; Ota, Kei; Hashizume, Daisuke; Matsuo, Tsukasa","Selective monooxygenation of diphosphenes with molecular oxygen.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","1956","1960","10.1039/d3dt04348g","","","0.71073","MoKα","","0.1012","0.0662","","","0.1344","0.1508","","","","","","1.083","","","","has coordinates,has disorder","289482","2024-02-04","11:49:51",""
"7714987","10.7135","0.0004","11.714","0.0004","17.7296","0.0006","93.27","0.003","90.315","0.003","102.939","0.003","2164.62","0.13","100","","100","","","","","","","","","4","P -1","-P 1","2","(EMind)(O=)P=P(EMind)","EMind diphosphene oxide","","- C48 H74 O P2 -","- C48 H74 O P2 -","- C96 H148 O2 P4 -","2","1","","Kawase, Yuria; Tsujimoto, Shota; Obayashi, Tomohiro; Kimura, Satoshi; Ito, Kanta; Ikoma, Shotaro; Ota, Kei; Hashizume, Daisuke; Matsuo, Tsukasa","Selective monooxygenation of diphosphenes with molecular oxygen.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","1956","1960","10.1039/d3dt04348g","","x-ray","0.71073","MoKα","","0.1192","0.0662","","","0.1359","0.1532","","","","","","1.051","","","","has coordinates,has disorder","289482","2024-02-04","11:49:51",""
"7714988","10.542","0.002","18.441","0.004","19.009","0.004","90","","90.05","0.03","90","","3695.4","1.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H22 Co F12 N5 O P2 -","- C33 H22 Co F12 N5 O P2 -","- C132 H88 Co4 F48 N20 O4 P8 -","4","1","","Deka, Banashree; Sarkar, Tukki; Bhattacharyya, Arnab; Butcher, Ray J.; Banerjee, Samya; Deka, Sasanka; Saikia, Kandarpa K.; Hussain, Akhtar","Synthesis, characterization, and cancer cell-selective cytotoxicity of mixed-ligand cobalt(III) complexes of 8-hydroxyquinolines and phenanthroline bases.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","4952","4961","10.1039/d3dt04045c","","","0.71073","MoKα","","0.1668","0.0732","","","0.2085","0.2576","","","","","","1.057","","","","has coordinates,has disorder","290955","2024-04-04","23:29:48",""
"7714989","13.3417","0.0005","17.9204","0.0007","16.6565","0.0006","90","","92.157","0.002","90","","3979.6","0.3","296","2","296","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Cl Co F12 I N5 O2 P2 -","- C36 H26 Cl Co F12 I N5 O2 P2 -","- C144 H104 Cl4 Co4 F48 I4 N20 O8 P8 -","4","1","","Deka, Banashree; Sarkar, Tukki; Bhattacharyya, Arnab; Butcher, Ray J.; Banerjee, Samya; Deka, Sasanka; Saikia, Kandarpa K.; Hussain, Akhtar","Synthesis, characterization, and cancer cell-selective cytotoxicity of mixed-ligand cobalt(III) complexes of 8-hydroxyquinolines and phenanthroline bases.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","4952","4961","10.1039/d3dt04045c","","","0.71073","MoKα","","0.1654","0.0747","","","0.2079","0.261","","","","","","1.02","","","","has coordinates","290955","2024-04-04","23:29:48",""
"7714990","10.9565","0.0003","15.044","0.0003","22.5663","0.0004","75.615","0.0019","81.7459","0.0019","86.5897","0.0019","3564.55","0.14","300.01","0.14","300.01","0.14","","","","","","","","7","P -1","-P 1","2","","","","- C71 H67 F6 N7 O2 P3 Ru3 -","- C71 H67 F6 N7 O2 P3 Ru3 -","- C142 H134 F12 N14 O4 P6 Ru6 -","2","1","","Li, Ting-Ya; Su, Shao-Dong; He, Yong; Wu, Xin-Tao; Sheng, Tian-Lu","Syntheses, crystal structures and MMCT properties of diruthenium-based cyanido-bridged RuV/VI2-NC-Ru<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5010","5019","10.1039/d3dt01861j","","x-ray","1.3405","micro-focusmetaljet","","0.079","0.0676","","","0.2068","0.2248","","","","","","1.058","","","","has coordinates","290975","2024-04-04","23:34:07",""
"7714991","10.546","0.007","14.17","0.008","14.588","0.009","94.314","0.014","110.729","0.016","96.166","0.012","2012","2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H38 Cl F6 N6 O3 P Ru2 -","- C38 H38 Cl F6 N6 O3 P Ru2 -","- C76 H76 Cl2 F12 N12 O6 P2 Ru4 -","2","1","","Li, Ting-Ya; Su, Shao-Dong; He, Yong; Wu, Xin-Tao; Sheng, Tian-Lu","Syntheses, crystal structures and MMCT properties of diruthenium-based cyanido-bridged RuV/VI2-NC-Ru<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5010","5019","10.1039/d3dt01861j","","","0.71073","MoKα","","0.1217","0.1072","","","0.2588","0.2727","","","","","","1.16","","","","has coordinates","290975","2024-04-04","23:34:07",""
"7714992","10.88399","0.00016","17.808","0.0003","19.4153","0.0003","82.5338","0.0014","80.6957","0.0013","89.2357","0.0013","3682.01","0.1","100","0.1","100","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C73 H69 Cl5 F6 N7 O2 P3 Ru3 -","- C73 H69 Cl5 F6 N7 O2 P3 Ru3 -","- C146 H138 Cl10 F12 N14 O4 P6 Ru6 -","2","1","","Li, Ting-Ya; Su, Shao-Dong; He, Yong; Wu, Xin-Tao; Sheng, Tian-Lu","Syntheses, crystal structures and MMCT properties of diruthenium-based cyanido-bridged RuV/VI2-NC-Ru<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5010","5019","10.1039/d3dt01861j","","x-ray","1.3405","GaKα","","0.0575","0.0558","","","0.1541","0.1563","","","","","","1.029","","","","has coordinates,has disorder","290975","2024-04-04","23:34:07",""
"7714993","10.6594","0.0002","12.7768","0.0002","52.3229","0.001","90","","91.033","0.002","90","","7124.9","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C76 H77 Cl2 F6 N7 O2 P3 Ru3 -","- C76 H77 Cl2 F6 N7 O2 P3 Ru3 -","- C304 H308 Cl8 F24 N28 O8 P12 Ru12 -","4","1","","Li, Ting-Ya; Su, Shao-Dong; He, Yong; Wu, Xin-Tao; Sheng, Tian-Lu","Syntheses, crystal structures and MMCT properties of diruthenium-based cyanido-bridged RuV/VI2-NC-Ru<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5010","5019","10.1039/d3dt01861j","","","1.3405","GaKα","","0.0753","0.0608","","","0.1496","0.1541","","","","","","1.133","","","","has coordinates,has disorder","290975","2024-04-04","23:34:07",""
"7714994","10.59036","0.00015","13.36324","0.00019","27.4852","0.0004","100.157","0.0012","91.5001","0.0012","101.526","0.0012","3743.96","0.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C72 H69 Cl2 F12 N7 O2 P4 Ru3 -","- C72 H69 Cl2 F12 N7 O2 P4 Ru3 -","- C144 H138 Cl4 F24 N14 O4 P8 Ru6 -","2","1","","Li, Ting-Ya; Su, Shao-Dong; He, Yong; Wu, Xin-Tao; Sheng, Tian-Lu","Syntheses, crystal structures and MMCT properties of diruthenium-based cyanido-bridged RuV/VI2-NC-Ru<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5010","5019","10.1039/d3dt01861j","","","1.3405","GaKα","","0.0533","0.0466","","","0.1107","0.1133","","","","","","1.053","","","","has coordinates","290975","2024-04-04","23:34:07",""
"7714995","10.41417","0.00014","13.53546","0.00018","27.3017","0.0003","99.2893","0.001","92.1532","0.001","102.544","0.0012","3696.78","0.08","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C72 H69 Cl4 F12 N7 O2 P4 Ru3 -","- C72 H69 Cl4 F12 N7 O2 P4 Ru3 -","- C144 H138 Cl8 F24 N14 O4 P8 Ru6 -","2","1","","Li, Ting-Ya; Su, Shao-Dong; He, Yong; Wu, Xin-Tao; Sheng, Tian-Lu","Syntheses, crystal structures and MMCT properties of diruthenium-based cyanido-bridged RuV/VI2-NC-Ru<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5010","5019","10.1039/d3dt01861j","","","1.3405","GaKα","","0.0556","0.0509","","","0.1379","0.1412","","","","","","1.028","","","","has coordinates","290975","2024-04-04","23:34:07",""
"7714996","18.459","0.003","19.596","0.003","20.09","0.003","90","","90","","90","","7267","2","298","2","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H36 Cl N6 O2 Ru2 -","- C38 H36 Cl N6 O2 Ru2 -","- C304 H288 Cl8 N48 O16 Ru16 -","8","1","","Li, Ting-Ya; Su, Shao-Dong; He, Yong; Wu, Xin-Tao; Sheng, Tian-Lu","Syntheses, crystal structures and MMCT properties of diruthenium-based cyanido-bridged RuV/VI2-NC-Ru<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5010","5019","10.1039/d3dt01861j","","","0.71073","MoKα","","0.0411","0.0386","","","0.0931","0.095","","","","","","1.185","","","","has coordinates","290975","2024-04-04","23:34:07",""
"7714997","61.4094","0.0004","11.1309","0.0001","26.7856","0.0002","90","","99.985","0.001","90","","18031.8","0.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C75 H75 F12 N7 O2 P4 Ru3 -","- C75 H75 F12 N7 O2 P4 Ru3 -","- C600 H600 F96 N56 O16 P32 Ru24 -","8","1","","Li, Ting-Ya; Su, Shao-Dong; He, Yong; Wu, Xin-Tao; Sheng, Tian-Lu","Syntheses, crystal structures and MMCT properties of diruthenium-based cyanido-bridged RuV/VI2-NC-Ru<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5010","5019","10.1039/d3dt01861j","","x-ray","1.3405","micro-focusmetaljet","","0.0618","0.0577","","","0.1768","0.1805","","","","","","1.101","","","","has coordinates","290975","2024-04-04","23:34:07",""
"7714998","13.99","","7.058","","16.715","","90","","90","","90","","1650.46","","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C16 H12 Mn2 N7 -","- C16 H12 Mn2 N7 -","- C64 H48 Mn8 N28 -","4","0.5","","Imamura, Yuki; Yoshino, Haruka; Le Ouay, Benjamin; Ohtani, Ryo; Ohba, Masaaki","A novel style of 2D Hofmann-type coordination polymer incorporated trigonal prismatic coordination geometry with bidentate co-ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","3970","3974","10.1039/d3dt03914e","","","0.71073","MoKα","","0.042","0.0329","","","0.0816","0.0864","","","","","","1.048","","","","has coordinates,has disorder","290212","2024-03-04","20:25:17",""
"7714999","14.3053","0.0007","7.2469","0.0002","17.0304","0.0009","90","","90","","90","","1765.53","0.14","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","MnCr_dmbpy","","","- C16 H11 Cr Mn N7 -","- C16 H11 Cr Mn N7 -","- C64 H44 Cr4 Mn4 N28 -","4","0.5","","Imamura, Yuki; Yoshino, Haruka; Le Ouay, Benjamin; Ohtani, Ryo; Ohba, Masaaki","A novel style of 2D Hofmann-type coordination polymer incorporated trigonal prismatic coordination geometry with bidentate co-ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","3970","3974","10.1039/d3dt03914e","powder diffraction","","1.138","Synchrotron","","0.00589","","","","","","0.00747","0.01064","0.1436","","","","","","","has coordinates","290212","2024-03-04","20:25:17",""
"7715000","8.7055","0.0007","15.5617","0.0012","17.0736","0.0013","90","","90","","90","","2313","0.3","296.15","","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 Cd Cl4 N2 S2 -","- C20 H18 Cd Cl4 N2 S2 -","- C80 H72 Cd4 Cl16 N8 S8 -","4","1","","Li, Kai; Ying, Jun; Liu, Tao; Tian, Aixiang; Wang, Xiuli","A series of viologen complexes containing thiophene and Br<sup>-</sup> dual fluorescent chromophores for continuous visual sensing of pH and Hg<sup>2</sup>.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2741","2748","10.1039/d3dt03415a","","","0.71073","MoKα","","0.0772","0.0697","","","0.1887","0.1931","","","","","","1.119","","","","has coordinates","290177","2024-03-04","20:17:43",""
"7715001","8.6729","0.0004","16.0066","0.0008","17.115","0.0008","90","","90","","90","","2376","0.2","296.15","","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 Br4 N2 S2 Zn -","- C20 H18 Br4 N2 S2 Zn -","- C80 H72 Br16 N8 S8 Zn4 -","4","1","","Li, Kai; Ying, Jun; Liu, Tao; Tian, Aixiang; Wang, Xiuli","A series of viologen complexes containing thiophene and Br<sup>-</sup> dual fluorescent chromophores for continuous visual sensing of pH and Hg<sup>2</sup>.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2741","2748","10.1039/d3dt03415a","","","0.71073","MoKα","","0.0634","0.0388","","","0.0723","0.0829","","","","","","1.025","","","","has coordinates,has disorder","290177","2024-03-04","20:17:44",""
"7715002","10.4118","0.0003","13.9698","0.0004","14.0458","0.0004","83.814","0.0009","89.0383","0.0009","78.4616","0.0009","1990.01","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H24 Cl8 Fe2 N4 O5 -","- C40 H24 Cl8 Fe2 N4 O5 -","- C80 H48 Cl16 Fe4 N8 O10 -","2","1","","Abeydeera, Nalin; Mudarmah, Khalil; Pant, Bishnu D.; Krause, Jeanette A.; Zheng, Yao-Rong; Huang, Songping D.","Transferrin-inspired iron delivery across the cell membrane using [(L<sub>2</sub>Fe)<sub>2</sub>(μ-O)] (L = chlorquinaldol) to harness anticancer activity of ferroptosis.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3206","3214","10.1039/d3dt02517a","","","0.71073","MoKα","","0.0301","0.0252","","","0.0629","0.0665","","","","","","1.043","","","","has coordinates,has disorder","290204","2024-03-04","20:23:52",""
"7715003","9.1227","0.0002","10.2404","0.0002","11.1777","0.0002","102.877","0.002","104.81","0.002","92.033","0.002","979.4","0.04","295","2","295","2","","","","","","","","7","P -1","-P 1","2","(methyl 3-formyl-4-hydroxybenzoate)(2,2'-bipyridine)tetrafluoroboratecopper(II)","(methyl 3-formyl-4-hydroxybenzoate)(2,2'-bipyridine)tetrafluoroboratecopper(II)","","- C19 H15 B Cu F4 N2 O4 -","- C19 H15 B Cu F4 N2 O4 -","- C38 H30 B2 Cu2 F8 N4 O8 -","2","1","","Selaković, Snežana; Rodić, Marko V; Novaković, Irena; Matić, Ivana Z; Stanojković, Tatjana; Pirković, Andrea; Živković, Lada; Spremo-Potparević, Biljana; Milčić, Miloš; Medaković, Vesna; Dimiza, Filitsa; Psomas, George; Anđelković, Katarina; Šumar-Ristović, Maja","Cu(II) complexes with a salicylaldehyde derivative and α-diimines as co-ligands: synthesis, characterization, biological activity. Experimental and theoretical approach.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2770","2788","10.1039/d3dt03862a","","","0.71073","MoKα","","0.0371","0.0331","","","0.0878","0.0907","","","","","","1.028","","","","has coordinates,has disorder","290184","2024-03-04","20:18:48",""
"7715004","19.8478","0.0006","16.7632","0.0003","13.8843","0.0004","90","","105.192","0.003","90","","4458","0.2","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","(methyl 3-formyl-4-hydroxybenzoate)(1,10-phenanthroline)aquacopper(II) tetrafluoroborate monohydrate","(methyl 3-formyl-4-hydroxybenzoate)(1,10-phenanthroline)aquacopper(II) tetrafluoroborate monohydrate","","- C21 H19 B Cu F4 N2 O6 -","- C21 H17 B Cu F4 N2 O5 -","- C168 H136 B8 Cu8 F32 N16 O40 -","8","1","","Selaković, Snežana; Rodić, Marko V; Novaković, Irena; Matić, Ivana Z; Stanojković, Tatjana; Pirković, Andrea; Živković, Lada; Spremo-Potparević, Biljana; Milčić, Miloš; Medaković, Vesna; Dimiza, Filitsa; Psomas, George; Anđelković, Katarina; Šumar-Ristović, Maja","Cu(II) complexes with a salicylaldehyde derivative and α-diimines as co-ligands: synthesis, characterization, biological activity. Experimental and theoretical approach.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2770","2788","10.1039/d3dt03862a","","","0.71073","MoKα","","0.0465","0.0367","","","0.0968","0.1025","","","","","","1.033","","","","has coordinates,has disorder","290184","2024-03-04","20:18:48",""
"7715005","17.0574","0.0003","10.5308","0.0003","31.2176","0.0008","90","","91.68","0.002","90","","5605.1","0.2","150","0.1","150","0.1","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C45 H56 B2 Cl4 N12 O4 Pt Se2 W2 -","- C45 H56 B2 Cl4 N12 O4 Pt Se2 W2 -","- C180 H224 B8 Cl16 N48 O16 Pt4 Se8 W8 -","4","0.5","","Watson, Lachlan J.; Hill, Anthony F.","Stable cyclopropenylvinyl ligands <i>via</i> insertion into a transient cyclopropenyl metal bond.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3629","3637","10.1039/d3dt03997h","","","1.54184","CuKα","","0.0647","0.0425","","","0.0856","0.0926","","","","","","1.007","","","","has coordinates","290164","2024-03-04","20:13:18",""
"7715006","12.4389","0.0003","13.8519","0.0004","14.2608","0.0003","90","","90.601","0.002","90","","2457.03","0.11","150","0.1","150","0.1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C38 H48 B2 Cl4 N12 O4 Pt Se2 W2 -","- C38 H48 B2 Cl4 N12 O4 Pt Se2 W2 -","- C76 H96 B4 Cl8 N24 O8 Pt2 Se4 W4 -","2","0.5","","Watson, Lachlan J.; Hill, Anthony F.","Stable cyclopropenylvinyl ligands <i>via</i> insertion into a transient cyclopropenyl metal bond.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3629","3637","10.1039/d3dt03997h","","","1.54184","CuKα","","0.0585","0.0434","","","0.1115","0.1229","","","","","","1.041","","","","has coordinates","290164","2024-03-04","20:13:18",""
"7715007","10.4524","0.0006","16.4733","0.001","16.6029","0.0012","90","","99.08","0.006","90","","2823","0.3","150","0.1","150","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H62 B2 N14 O4 Pt Se2 W2 -","- C46 H62 B2 N14 O4 Pt Se2 W2 -","- C92 H124 B4 N28 O8 Pt2 Se4 W4 -","2","0.5","","Watson, Lachlan J.; Hill, Anthony F.","Stable cyclopropenylvinyl ligands <i>via</i> insertion into a transient cyclopropenyl metal bond.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3629","3637","10.1039/d3dt03997h","","","0.71073","MoKα","","0.0667","0.0386","","","0.0567","0.064","","","","","","0.966","","","","has coordinates","290164","2024-03-04","20:13:18",""
"7715008","14.1718","0.0003","15.5447","0.0004","15.4562","0.0004","90","","106.216","0.002","90","","3269.48","0.14","150","0.1","150","0.1","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C20 H26 Au B Cl4 N6 O2 Se W -","- C20 H26 Au B Cl4 N6 O2 Se W -","- C80 H104 Au4 B4 Cl16 N24 O8 Se4 W4 -","4","2","","Watson, Lachlan J.; Hill, Anthony F.","Stable cyclopropenylvinyl ligands <i>via</i> insertion into a transient cyclopropenyl metal bond.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3629","3637","10.1039/d3dt03997h","","","1.54184","CuKα","","0.0496","0.0438","","","0.1157","0.1211","","","","","","1.02","","","","has coordinates","290164","2024-03-04","20:13:18",""
"7715009","20.1587","0.0009","19.5305","0.0006","19.4821","0.0008","90","","117.307","0.006","90","","6815.5","0.6","150","0.1","150","0.1","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C48 H64 Au2 B2 Cl10 N12 O4 Pt Se2 W2 -","- C48 H64 Au2 B2 Cl10 N12 O4 Pt Se2 W2 -","- C192 H256 Au8 B8 Cl40 N48 O16 Pt4 Se8 W8 -","4","1","","Watson, Lachlan J.; Hill, Anthony F.","Stable cyclopropenylvinyl ligands <i>via</i> insertion into a transient cyclopropenyl metal bond.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3629","3637","10.1039/d3dt03997h","","","0.71073","MoKα","","0.052","0.0358","","","0.0628","0.0695","","","","","","1.015","","","","has coordinates","290164","2024-03-04","20:13:18",""
"7715010","25.8671","0.0007","25.8671","0.0007","15.5089","0.0004","90","","90","","120","","8986.8","0.4","172.99","","172.99","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C84 H66 N12 O55 Pb2 Ti12 -","- C84 H66 N12 O55 Pb2 Ti12 -","- C252 H198 N36 O165 Pb6 Ti36 -","3","0.166667","","Said, Amir; Chen, Guanjie; Zhang, Guanyun; Wang, Dexin; Liu, Yanshu; Gao, Fangfang; Wang, Guo; Tung, Chen-Ho; Wang, Yifeng","Enhancing the photocatalytic performance of a rutile unit featuring a titanium-oxide cluster by Pb<sup>2+</sup> doping.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3666","3674","10.1039/d3dt03865c","","","1.54184","","","0.0398","0.0367","","","0.0951","0.0971","","","","","","1.0254","","","","has coordinates","290161","2024-03-04","20:12:32",""
"7715011","8.4988","0.0004","11.3956","0.0005","7.4459","0.0006","90","","114.205","0.001","90","","657.73","0.07","137.76","","137.76","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Cl2 H2 Np O3 Rb -","- Cl2 H2 Np O3 Rb -","- Cl8 H8 Np4 O12 Rb4 -","4","0.5","","Rajapaksha, Harindu; Benthin, Grant C.; Markun, Emma L.; Mason, Sara E.; Forbes, Tori Z.","Synthesis, characterization, and density functional theory investigation of (CH<sub>6</sub>N<sub>3</sub>)<sub>2</sub>[NpO<sub>2</sub>Cl<sub>3</sub>] and Rb[NpO<sub>2</sub>Cl<sub>2</sub>(H<sub>2</sub>O)] chain structures.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3397","3406","10.1039/d3dt03630h","","","0.71073","MoKα","","0.007","0.0069","","","0.0157","0.0157","","","","","","1.245","","","","has coordinates","290191","2024-03-04","20:20:08",""
"7715012","8.6197","0.0003","9.7216","0.0004","14.5517","0.0006","90","","90","","90","","1219.39","0.08","136.01","","136.01","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C2 H12 Cl3 N6 Np O2 -","- C2 H12 Cl3 N6 Np O2 -","- C8 H48 Cl12 N24 Np4 O8 -","4","1","","Rajapaksha, Harindu; Benthin, Grant C.; Markun, Emma L.; Mason, Sara E.; Forbes, Tori Z.","Synthesis, characterization, and density functional theory investigation of (CH<sub>6</sub>N<sub>3</sub>)<sub>2</sub>[NpO<sub>2</sub>Cl<sub>3</sub>] and Rb[NpO<sub>2</sub>Cl<sub>2</sub>(H<sub>2</sub>O)] chain structures.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3397","3406","10.1039/d3dt03630h","","","0.71073","MoKα","","0.0071","0.007","","","0.0174","0.0174","","","","","","1.161","","","","has coordinates","290191","2024-03-04","20:20:09",""
"7715013","10.9802","0.0005","12.7843","0.0005","15.3506","0.0007","88.028","0.001","84.166","0.001","80.584","0.001","2114.44","0.16","299","","299","","","","","","","","","8","P 1","P 1","1","","","","- C50 H49 Cl2 Cu5 N10 O52 P3 W12 -","- C50 H39 Cl2 Cu5 N10 O52 P3 W12 -","- C50 H39 Cl2 Cu5 N10 O52 P3 W12 -","1","1","","Peng, Cai-Hong; Li, Guanghua; Li, Ke-Chang; Cui, Xiao-Bing","Six polyoxotungstate-based transition metal compounds for electrochemical capacitor application and a comparative analysis of factors affecting capacitances.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3499","3510","10.1039/d3dt04052f","","","0.71073","MoKα","","0.0612","0.0556","","","0.1484","0.1564","","","","","","1.045","","","","has coordinates","290159","2024-03-04","20:12:09",""
"7715014","35.2928","0.0004","35.2928","0.0004","22.6516","0.0007","90","","90","","120","","24434.4","0.9","260","","260","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C81 H104.5 Cu4.5 N15 O112.75 P2 W24 -","- C81 H48 Cu4.5 N15 O112.75 P2 W24 -","- C486 H288 Cu27 N90 O676.5 P12 W144 -","6","0.333333","","Peng, Cai-Hong; Li, Guanghua; Li, Ke-Chang; Cui, Xiao-Bing","Six polyoxotungstate-based transition metal compounds for electrochemical capacitor application and a comparative analysis of factors affecting capacitances.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3499","3510","10.1039/d3dt04052f","","","0.71073","MoKα","","0.1511","0.0891","","","0.2216","0.2724","","","","","","1.034","","","","has coordinates","290159","2024-03-04","20:12:11",""
"7715015","12.237","0.0009","14.0325","0.001","22.9061","0.0015","83.241","0.002","84.184","0.002","65.508","0.002","3548.5","0.4","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H40 N8 O44 Si W12 Zn2 -","- C48 H36 N8 O44 Si W12 Zn2 -","- C96 H72 N16 O88 Si2 W24 Zn4 -","2","1","","Peng, Cai-Hong; Li, Guanghua; Li, Ke-Chang; Cui, Xiao-Bing","Six polyoxotungstate-based transition metal compounds for electrochemical capacitor application and a comparative analysis of factors affecting capacitances.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3499","3510","10.1039/d3dt04052f","","","0.71073","MoKα","","0.056","0.0502","","","0.1363","0.1432","","","","","","1.058","","","","has coordinates","290159","2024-03-04","20:12:11",""
"7715016","13.6089","0.0007","12.1703","0.0005","18.897","0.0008","90","","93.463","0.002","90","","3124.1","0.2","200","","200.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H32 N8 O40 Si W12 Zn2 -","- C40 H32 N8 O40 Si W12 Zn2 -","- C80 H64 N16 O80 Si2 W24 Zn4 -","2","0.5","","Peng, Cai-Hong; Li, Guanghua; Li, Ke-Chang; Cui, Xiao-Bing","Six polyoxotungstate-based transition metal compounds for electrochemical capacitor application and a comparative analysis of factors affecting capacitances.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3499","3510","10.1039/d3dt04052f","","","0.71073","MoKα","","0.1448","0.1434","","","0.3394","0.3402","","","","","","1.134","","","","has coordinates","290159","2024-03-04","20:12:11",""
"7715017","12.0386","0.0011","13.6743","0.0012","14.7316","0.0013","105.088","0.003","90.564","0.003","97.682","0.003","2318","0.4","200","","200","","","","","","","","","7","P 1","P 1","1","","","","- C72 H58 N12 O45 P W12 Zn2 -","- C72 H48 N12 O45 P W12 Zn2 -","- C72 H48 N12 O45 P W12 Zn2 -","1","1","","Peng, Cai-Hong; Li, Guanghua; Li, Ke-Chang; Cui, Xiao-Bing","Six polyoxotungstate-based transition metal compounds for electrochemical capacitor application and a comparative analysis of factors affecting capacitances.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3499","3510","10.1039/d3dt04052f","","","0.71073","MoKα","","0.08","0.0664","","","0.1769","0.194","","","","","","1.048","","","","has coordinates","290159","2024-03-04","20:12:11",""
"7715018","16.1479","0.0005","14.3681","0.0006","25.5601","0.0008","90","","93.754","0.003","90","","5917.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H90 Co2 Dy2 N2 O18 -","- C46 H90 Co2 Dy2 N2 O18 -","- C184 H360 Co8 Dy8 N8 O72 -","4","1","","Bonnenfant, Chloë; Vadra, Nahir; Rouzières, Mathieu; Clérac, Rodolphe; Cukiernik, Fabio D.; Alborés, Pablo","Alkyl chain length influence of the functionalized diethanolamine ligand on the slow relaxation of the magnetization in {CoIII3DyIII3} complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2815","2825","10.1039/d3dt03656a","","","0.71073","MoKα","","0.0926","0.0551","","","0.1282","0.1559","","","","","","1.041","","","","has coordinates,has disorder","290169","2024-03-04","20:15:40",""
"7715019","16.3759","0.0004","19.4907","0.0005","27.2707","0.0006","90","","90.159","0.002","90","","8704.2","0.4","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C59 H122 Co3 Dy3 N4 O29 -","- C59 H122 Co3 Dy3 N4 O29 -","- C236 H488 Co12 Dy12 N16 O116 -","4","1","","Bonnenfant, Chloë; Vadra, Nahir; Rouzières, Mathieu; Clérac, Rodolphe; Cukiernik, Fabio D.; Alborés, Pablo","Alkyl chain length influence of the functionalized diethanolamine ligand on the slow relaxation of the magnetization in {CoIII3DyIII3} complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2815","2825","10.1039/d3dt03656a","","","0.71073","MoKα","","0.0979","0.0697","","","0.1939","0.2422","","","","","","1.04","","","","has coordinates,has disorder","290169","2024-03-04","20:15:40",""
"7715020","25.5185","0.0018","19.1773","0.0011","18.9054","0.0011","90","","93.943","0.006","90","","9229.9","1","293","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H134 Co3 Dy3 N4 O29 -","- C65 H134 Co3 Dy3 N4 O29 -","- C260 H536 Co12 Dy12 N16 O116 -","4","1","","Bonnenfant, Chloë; Vadra, Nahir; Rouzières, Mathieu; Clérac, Rodolphe; Cukiernik, Fabio D.; Alborés, Pablo","Alkyl chain length influence of the functionalized diethanolamine ligand on the slow relaxation of the magnetization in {CoIII3DyIII3} complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2815","2825","10.1039/d3dt03656a","","","0.71073","MoKα","","0.2785","0.1788","","","0.375","0.4413","","","","","","1.09","","","","has coordinates,has disorder","290169","2024-03-04","20:15:40",""
"7715021","28.532","0.002","10.5787","0.001","33.001","0.003","90","","93.753","0.007","90","","9939.4","1.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C71 H148 Co3 Dy3 N4 O30 -","- C71 H148 Co3 Dy3 N4 O30 -","- C284 H592 Co12 Dy12 N16 O120 -","4","1","","Bonnenfant, Chloë; Vadra, Nahir; Rouzières, Mathieu; Clérac, Rodolphe; Cukiernik, Fabio D.; Alborés, Pablo","Alkyl chain length influence of the functionalized diethanolamine ligand on the slow relaxation of the magnetization in {CoIII3DyIII3} complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2815","2825","10.1039/d3dt03656a","","","0.71073","MoKα","","0.1882","0.1157","","","0.2672","0.3355","","","","","","1.073","","","","has coordinates,has disorder","290169","2024-03-04","20:15:40",""
"7715022","9.105","0.0013","9.1429","0.0017","9.4395","0.0017","63.608","0.018","65.118","0.016","89.965","0.014","621.5","0.2","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C4 H15 Co N2 O8 S2 -","- C4 H15 Co N2 O8 S2 -","- C8 H30 Co2 N4 O16 S4 -","2","1","","Zhao, Xing; Wang, Jiasheng; Li, Bo; Zhang, Man; Zhang, Jingping","High anhydrous proton conductivity and a smart proton transportation approach of a sulfate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2471","2474","10.1039/d3dt04125e","","x-ray","1.54184","CuKα","","0.1383","0.1195","","","0.3356","0.3569","","","","","","1.346","","","","has coordinates","290168","2024-03-04","20:15:10",""
"7715023","18.9926","0.0008","19.3476","0.0008","15.4933","0.0006","90","","90","","90","","5693.2","0.4","296.15","","296.15","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C16 H40 Cr Mo6 N16 O38 Zn2 -","- C16 H40 Cr Mo6 N16 O38 Zn2 -","- C64 H160 Cr4 Mo24 N64 O152 Zn8 -","4","0.5","","Liang, Ju-Ju; Lin, Yu-Chun; Chang, Zhi-Han; Wang, Xiuli","Improved capacitive performances and electrocatalytic reduction activity by regulating the bonding interaction between Zn-bistriazole-pyrazine/pyridine units and diverse Anderson-type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3020","3026","10.1039/d3dt04195f","","x-ray","0.71073","MoKα","K-L~3~","0.0381","0.031","","","0.0752","0.0815","","","","","","1.091","","","","has coordinates","290201","2024-03-04","20:22:56",""
"7715024","9.6974","0.0003","11.2534","0.0003","12.537","0.0003","85.06","0.001","80.467","0.001","66.963","0.001","1241.31","0.06","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H34 Mo6 N14 O38 Te Zn5.56 -","- C18 H34 Mo6 N14 O38 Te Zn5.6 -","- C18 H34 Mo6 N14 O38 Te Zn5.6 -","1","0.5","","Liang, Ju-Ju; Lin, Yu-Chun; Chang, Zhi-Han; Wang, Xiuli","Improved capacitive performances and electrocatalytic reduction activity by regulating the bonding interaction between Zn-bistriazole-pyrazine/pyridine units and diverse Anderson-type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3020","3026","10.1039/d3dt04195f","","x-ray","0.71073","MoKα","K-L~3~","0.0278","0.0223","","","0.0534","0.056","","","","","","1.069","","","","has coordinates","290201","2024-03-04","20:22:56",""
"7715025","10.8994","0.0003","11.113","0.0003","12.3426","0.0003","106.325","0.001","108.795","0.001","105.36","0.001","1249.96","0.06","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H46 Cr Mo6 N14 O38 Zn2 -","- C18 H46 Cr Mo6 N14 O38 Zn2 -","- C18 H46 Cr Mo6 N14 O38 Zn2 -","1","0.5","","Liang, Ju-Ju; Lin, Yu-Chun; Chang, Zhi-Han; Wang, Xiuli","Improved capacitive performances and electrocatalytic reduction activity by regulating the bonding interaction between Zn-bistriazole-pyrazine/pyridine units and diverse Anderson-type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3020","3026","10.1039/d3dt04195f","","x-ray","0.71073","MoKα","K-L~3~","0.0289","0.0236","","","0.0607","0.0644","","","","","","1.042","","","","has coordinates","290201","2024-03-04","20:22:56",""
"7715026","17.2542","0.0003","17.2542","0.0003","17.2542","0.0003","90","","90","","90","","5136.7","0.15","193","","193","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","","- C19 H14 Ag0.67 N4.33 O1.17 -","- C19 H14 Ag0.666667 N4.3334 O1.16687 -","- C228 H168 Ag8 N52.0008 O14.0024 -","12","0.5","","Wang, Yu-Jie; Qiu, Zhao-Feng; Zhang, Ya; Wang, Fang-Fang; Zhao, Yue; Sun, Wei-Yin","Silver frameworks based on a tetraphenylethylene-imidazole ligand for electrocatalytic reduction of CO<sub>2</sub> to CO.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3685","3689","10.1039/d3dt04056a","","","1.34139","GaKα","","0.1099","0.0662","","","0.171","0.2005","","","","","","1.019","","","","has coordinates,has disorder","290165","2024-03-04","20:13:27",""
"7715027","13.9254","0.0004","14.9602","0.0005","11.7909","0.0004","90","","119.631","0.001","90","","2135.14","0.12","193","","193","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C20 H14 Ag F3 N4 O3 S -","- C20 H14 Ag F3 N4 O3 S -","- C80 H56 Ag4 F12 N16 O12 S4 -","4","0.5","","Wang, Yu-Jie; Qiu, Zhao-Feng; Zhang, Ya; Wang, Fang-Fang; Zhao, Yue; Sun, Wei-Yin","Silver frameworks based on a tetraphenylethylene-imidazole ligand for electrocatalytic reduction of CO<sub>2</sub> to CO.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3685","3689","10.1039/d3dt04056a","","","1.34139","GaKα","","0.0633","0.0567","","","0.1616","0.1679","","","","","","1.061","","","","has coordinates,has disorder","290165","2024-03-04","20:13:27",""
"7715028","14.5146","0.0008","14.8691","0.0008","15.0629","0.0009","90.759","0.002","95.483","0.002","96.132","0.002","3216.6","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C58 H55 Au2 Cl4 N O12 P2 Ru4 -","- C58 H55 Au2 Cl4 N O12 P2 Ru4 -","- C116 H110 Au4 Cl8 N2 O24 P4 Ru8 -","2","1","","Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Forti, Francesca; Iapalucci, Maria Carmela; Zacchini, Stefano","Peraurated ruthenium hydride carbonyl clusters: aurophilicity, isolobal analogy, structural isomerism, and fluxionality.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3865","3879","10.1039/d3dt04282k","","","0.71073","MoKα","","0.0422","0.0346","","","0.0783","0.0808","","","","","","1.071","","","","has coordinates","290163","2024-03-04","20:13:02",""
"7715029","24.253","0.002","14.1328","0.0012","50.61","0.004","90","","95.833","0.003","90","","17257","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84.5 H61 Au4 Cl O12 P4 Ru4 -","- C84.5 H61 Au4 Cl O12 P4 Ru4 -","- C676 H488 Au32 Cl8 O96 P32 Ru32 -","8","1","","Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Forti, Francesca; Iapalucci, Maria Carmela; Zacchini, Stefano","Peraurated ruthenium hydride carbonyl clusters: aurophilicity, isolobal analogy, structural isomerism, and fluxionality.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3865","3879","10.1039/d3dt04282k","","","0.71073","MoKα","","0.0852","0.0771","","","0.1647","0.1689","","","","","","1.14","","","","has coordinates","290163","2024-03-04","20:13:02",""
"7715030","13.8772","0.0012","21.705","0.002","23.92","0.002","90","","96.818","0.003","90","","7153.9","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C68 H50 Au3 Cl4 O12 P3 Ru4 -","- C68 H50 Au3 Cl4 O12 P3 Ru4 -","- C272 H200 Au12 Cl16 O48 P12 Ru16 -","4","1","","Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Forti, Francesca; Iapalucci, Maria Carmela; Zacchini, Stefano","Peraurated ruthenium hydride carbonyl clusters: aurophilicity, isolobal analogy, structural isomerism, and fluxionality.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3865","3879","10.1039/d3dt04282k","","","0.71073","MoKα","","0.0359","0.0328","","","0.068","0.0689","","","","","","1.204","","","","has coordinates,has disorder","290163","2024-03-04","20:13:02",""
"7715031","13.2702","0.0019","14.563","0.002","18.762","0.003","108.41","0.004","98.613","0.004","109.11","0.004","3118.4","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H46 Au3 O12 P3 Ru4 -","- C66 H46 Au3 O12 P3 Ru4 -","- C132 H92 Au6 O24 P6 Ru8 -","2","1","","Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Forti, Francesca; Iapalucci, Maria Carmela; Zacchini, Stefano","Peraurated ruthenium hydride carbonyl clusters: aurophilicity, isolobal analogy, structural isomerism, and fluxionality.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3865","3879","10.1039/d3dt04282k","","","0.71073","MoKα","","0.0985","0.082","","","0.1826","0.1891","","","","","","1.136","","","","has coordinates","290163","2024-03-04","20:13:02",""
"7715032","21.68","0.012","15.264","0.009","28.654","0.017","90","","92.504","0.015","90","","9473","10","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H60 Au4 O12 P4 Ru4 -","- C84 H60 Au4 O12 P4 Ru4 -","- C336 H240 Au16 O48 P16 Ru16 -","4","1","","Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Forti, Francesca; Iapalucci, Maria Carmela; Zacchini, Stefano","Peraurated ruthenium hydride carbonyl clusters: aurophilicity, isolobal analogy, structural isomerism, and fluxionality.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3865","3879","10.1039/d3dt04282k","","","0.71073","MoKα","","0.0853","0.0683","","","0.1711","0.1826","","","","","","1.041","","","","has coordinates","290163","2024-03-04","20:13:02",""
"7715033","15.2521","0.0009","27.193","0.0018","34.36","0.002","90","","90","","90","","14250.8","1.5","296","2","296","2","","","","","","","","5","P n n n :2","-P 2ab 2bc","48","","","","- C162 H126 Ag9 N51 O27 -","- C162 H126 Ag9 N51 O27 -","- C486 H378 Ag27 N153 O81 -","3","0.375","","Ma, Zhihu; Song, Xiaoming; Li, Zhaoyu; Ren, Yixia; Wang, Jijiang; Liang, Yucang","Ag-based coordination polymer-enhanced photocatalytic degradation of ciprofloxacin and nitrophenol.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3797","3807","10.1039/d3dt03727d","","x-ray","0.71073","MoKα","","0.1032","0.0671","","","0.1762","0.2038","","","","","","1.033","","","","has coordinates,has disorder","290162","2024-03-04","20:12:43",""
"7715034","7.2896","0.0002","9.6583","0.0003","11.588","0.0003","98.748","0.001","104.706","0.001","109.279","0.001","719.58","0.04","302","2","302","","","","","","","","","4","P -1","-P 1","2","","","","- Cs2 O13 P3 Sb3 -","- Cs2 O13 P3 Sb3 -","- Cs4 O26 P6 Sb6 -","2","1","","Hu, Mei; Wang, Jialong; Tuerhong, Nuerbiye; Zhang, Zhiyuan; Jing, Qun; Chen, Zhaohui; Yang, Yonglei; Lee, Ming-Hsien","Novel antimony phosphates with enlarged birefringence induced by lone pair cations.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3377","3385","10.1039/d3dt03833e","","","0.71073","MoKα","","0.0266","0.0227","","","0.0509","0.0522","","","","","","1.087","","","","has coordinates","290203","2024-03-04","20:23:37",""
"7715035","7.2569","0.0005","7.3904","0.0005","18.9055","0.0014","85.297","0.004","81.574","0.004","70.609","0.003","945.49","0.12","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- H12 N2 O19 P4 Sb4 -","- H12 N2 O19 P4 Sb4 -","- H24 N4 O38 P8 Sb8 -","2","1","","Hu, Mei; Wang, Jialong; Tuerhong, Nuerbiye; Zhang, Zhiyuan; Jing, Qun; Chen, Zhaohui; Yang, Yonglei; Lee, Ming-Hsien","Novel antimony phosphates with enlarged birefringence induced by lone pair cations.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3377","3385","10.1039/d3dt03833e","","","0.71073","MoKα","","0.0288","0.0227","","","0.045","0.0508","","","","","","1.132","","","","has coordinates","290203","2024-03-04","20:23:37",""
"7715036","14.8075","0.0005","10.2697","0.0003","18.5633","0.0006","90","","98.7049","0.0015","90","","2790.38","0.15","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 Cr O6 Ru2 S -","- C26 H30 Cr O6 Ru2 S -","- C104 H120 Cr4 O24 Ru8 S4 -","4","1","","Bairagi, Subhash; Giri, Soumen; Patel, Deepak Kumar; Luong, Diana; Fokwa, Boniface P. T.; Ghosh, Sundargopal","Hetero-trimetallic complexes comprising bridging boryl and borylene ligands: an experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3191","3205","10.1039/d3dt03907b","","","0.71073","MoKα","","0.0334","0.0253","","","0.0542","0.0608","","","","","","1.064","","","","has coordinates","290202","2024-03-04","20:23:10",""
"7715037","15.299","0.0007","15.0695","0.0005","25.0075","0.001","90","","90","","90","","5765.4","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H32 O6 Ru2 S2 W -","- C27 H32 O6 Ru2 S2 W -","- C216 H256 O48 Ru16 S16 W8 -","8","1","","Bairagi, Subhash; Giri, Soumen; Patel, Deepak Kumar; Luong, Diana; Fokwa, Boniface P. T.; Ghosh, Sundargopal","Hetero-trimetallic complexes comprising bridging boryl and borylene ligands: an experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3191","3205","10.1039/d3dt03907b","","x-ray","0.71073","MoKα","","0.0498","0.0314","","","0.075","0.0829","","","","","","1.053","","","","has coordinates","290202","2024-03-04","20:23:10",""
"7715038","8.5698","0.0006","17.7351","0.0015","18.3033","0.0014","90","","93.914","0.004","90","","2775.4","0.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H33 B Cr O4 Ru2 S2 -","- C25 H33 B Cr O4 Ru2 S2 -","- C100 H132 B4 Cr4 O16 Ru8 S8 -","4","1","","Bairagi, Subhash; Giri, Soumen; Patel, Deepak Kumar; Luong, Diana; Fokwa, Boniface P. T.; Ghosh, Sundargopal","Hetero-trimetallic complexes comprising bridging boryl and borylene ligands: an experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3191","3205","10.1039/d3dt03907b","","","0.71073","MoKα","","0.1021","0.0842","","","0.2132","0.2222","","","","","","1.197","","","","has coordinates","290202","2024-03-04","20:23:10",""
"7715039","8.592","0.0006","18.6905","0.0014","17.8208","0.0015","90","","96.8","0.003","90","","2841.7","0.4","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H34 B2 Cr O4 Ru2 S2 -","- C25 H34 B2 Cr O4 Ru2 S2 -","- C100 H136 B8 Cr4 O16 Ru8 S8 -","4","1","","Bairagi, Subhash; Giri, Soumen; Patel, Deepak Kumar; Luong, Diana; Fokwa, Boniface P. T.; Ghosh, Sundargopal","Hetero-trimetallic complexes comprising bridging boryl and borylene ligands: an experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3191","3205","10.1039/d3dt03907b","","","0.71073","MoKα","","0.053","0.0467","","","0.1023","0.1079","","","","","","1.175","","","","has coordinates","290202","2024-03-04","20:23:10",""
"7715040","15.288","0.008","15.103","0.007","24.967","0.012","90","","90","","90","","5765","5","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H32 Mo O6 Ru2 S2 -","- C27 H32 Mo O6 Ru2 S2 -","- C216 H256 Mo8 O48 Ru16 S16 -","8","1","","Bairagi, Subhash; Giri, Soumen; Patel, Deepak Kumar; Luong, Diana; Fokwa, Boniface P. T.; Ghosh, Sundargopal","Hetero-trimetallic complexes comprising bridging boryl and borylene ligands: an experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3191","3205","10.1039/d3dt03907b","","","0.71073","MoKα","","0.0441","0.0294","","","0.0589","0.0661","","","","","","1.128","","","","has coordinates","290202","2024-03-04","20:23:10",""
"7715041","14.7381","0.0011","10.2541","0.0008","18.4167","0.0014","90","","97.879","0.002","90","","2757","0.4","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 Mo O6 Ru2 S -","- C26 H30 Mo O6 Ru2 S -","- C104 H120 Mo4 O24 Ru8 S4 -","4","1","","Bairagi, Subhash; Giri, Soumen; Patel, Deepak Kumar; Luong, Diana; Fokwa, Boniface P. T.; Ghosh, Sundargopal","Hetero-trimetallic complexes comprising bridging boryl and borylene ligands: an experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3191","3205","10.1039/d3dt03907b","","","0.71073","MoKα","","0.0217","0.0189","","","0.0458","0.0475","","","","","","0.7951","","","","has coordinates","290202","2024-03-04","20:23:10",""
"7715042","13.0314","0.0003","17.4564","0.0004","9.0216","0.0002","90","","103.677","0.0014","90","","1994.05","0.08","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 Cu F6 N4 O2 P -","- C17 H17 Cu F6 N4 O2 P -","- C68 H68 Cu4 F24 N16 O8 P4 -","4","1","","Sharma, Mitu; Perkins, Amanda M.; Awoyemi, Raymond Femi; Schmittou, Allison N.; Raju, Selvam; Pierce, Brad S.; Donnadieu, Bruno; Wipf, David O.; Stokes, Sean L.; Emerson, Joseph P.","Three water-soluble copper(II) <i>N</i>-heterocyclic carbene complexes: toward copper-catalyzed ketone reduction under sustainable conditions.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3180","3190","10.1039/d3dt03406b","","","1.54178","CuKα","","0.0814","0.0568","","","0.1018","0.1126","","","","","","1.099","","","","has coordinates","290192","2024-03-04","20:20:18",""
"7715043","9.489","0.0014","10.9068","0.0016","14.481","0.002","111.242","0.006","103.332","0.006","96.766","0.005","1325.3","0.3","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H27 Cu F6 N4 O3 P -","- C24 H27 Cu F6 N4 O3 P -","- C48 H54 Cu2 F12 N8 O6 P2 -","2","1","","Sharma, Mitu; Perkins, Amanda M.; Awoyemi, Raymond Femi; Schmittou, Allison N.; Raju, Selvam; Pierce, Brad S.; Donnadieu, Bruno; Wipf, David O.; Stokes, Sean L.; Emerson, Joseph P.","Three water-soluble copper(II) <i>N</i>-heterocyclic carbene complexes: toward copper-catalyzed ketone reduction under sustainable conditions.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3180","3190","10.1039/d3dt03406b","","","1.54178","CuKα","","0.0414","0.0363","","","0.0898","0.0944","","","","","","1.061","","","","has coordinates,has disorder","290192","2024-03-04","20:20:19",""
"7715044","7.4806","0.0007","8.2712","0.001","14.3479","0.0014","90","","96.512","0.006","90","","882.03","0.16","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N3 -","- C10 H11 N3 -","- C40 H44 N12 -","4","1","","Al-Shewiki, Rasha K; Weheabby, Saddam; Uhlig, Nell; Korb, Marcus; Pester, Tom; Zahn, Stefan; Grecchi, S.; Mussini, P. R.; Rüffer, Tobias; Lang, Heinrich","Cobalt(III)-containing penta-dentate ""helmet""-type phthalogens: synthesis, solid-state structures and their thermal and electrochemical characterization.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3836","3854","10.1039/d3dt03950a","","","1.54178","CuKα","","0.113","0.0824","","","0.1564","0.1684","","","","","","1.168","","","","has coordinates","290160","2024-03-04","20:12:21",""
"7715045","14.5319","0.0009","4.7748","0.0003","17.1718","0.0009","90","","105.818","0.006","90","","1146.38","0.12","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H16 Co N8 -","- C32 H16 Co N8 -","- C64 H32 Co2 N16 -","2","0.5","","Al-Shewiki, Rasha K; Weheabby, Saddam; Uhlig, Nell; Korb, Marcus; Pester, Tom; Zahn, Stefan; Grecchi, S.; Mussini, P. R.; Rüffer, Tobias; Lang, Heinrich","Cobalt(III)-containing penta-dentate ""helmet""-type phthalogens: synthesis, solid-state structures and their thermal and electrochemical characterization.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3836","3854","10.1039/d3dt03950a","","","1.54184","CuKα","","0.0499","0.042","","","0.1069","0.1145","","","","","","1.02","","","","has coordinates","290160","2024-03-04","20:12:21",""
"7715046","7.4877","0.0007","8.2215","0.0006","14.134","0.0012","90","","100.951","0.009","90","","854.25","0.13","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 Cl2 N3 -","- C8 H5 Cl2 N3 -","- C32 H20 Cl8 N12 -","4","1","","Al-Shewiki, Rasha K; Weheabby, Saddam; Uhlig, Nell; Korb, Marcus; Pester, Tom; Zahn, Stefan; Grecchi, S.; Mussini, P. R.; Rüffer, Tobias; Lang, Heinrich","Cobalt(III)-containing penta-dentate ""helmet""-type phthalogens: synthesis, solid-state structures and their thermal and electrochemical characterization.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3836","3854","10.1039/d3dt03950a","","","1.54184","CuKα","","0.042","0.0369","","","0.1014","0.1059","","","","","","1.067","","","","has coordinates","290160","2024-03-04","20:12:21",""
"7715047","24.9709","0.0002","13.3223","0.0001","13.1876","0.0001","90","","90","","90","","4387.12","0.06","120","","120","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C49 H42 Cl Co N14 O3 -","- C49 H42 Cl Co N14 O3 -","- C196 H168 Cl4 Co4 N56 O12 -","4","1","","Al-Shewiki, Rasha K; Weheabby, Saddam; Uhlig, Nell; Korb, Marcus; Pester, Tom; Zahn, Stefan; Grecchi, S.; Mussini, P. R.; Rüffer, Tobias; Lang, Heinrich","Cobalt(III)-containing penta-dentate ""helmet""-type phthalogens: synthesis, solid-state structures and their thermal and electrochemical characterization.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3836","3854","10.1039/d3dt03950a","","","1.54184","CuKα","","0.0389","0.0364","","","0.0997","0.1015","","","","","","1.029","","","","has coordinates,has disorder","290160","2024-03-04","20:12:21",""
"7715048","14.1394","0.0011","14.6764","0.0007","14.8076","0.001","76.749","0.005","64.267","0.007","74.741","0.005","2647","0.3","115","","115","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H31 Cl10 Co N14 O3 -","- C49 H31 Cl10 Co N14 O3 -","- C98 H62 Cl20 Co2 N28 O6 -","2","1","","Al-Shewiki, Rasha K; Weheabby, Saddam; Uhlig, Nell; Korb, Marcus; Pester, Tom; Zahn, Stefan; Grecchi, S.; Mussini, P. R.; Rüffer, Tobias; Lang, Heinrich","Cobalt(III)-containing penta-dentate ""helmet""-type phthalogens: synthesis, solid-state structures and their thermal and electrochemical characterization.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3836","3854","10.1039/d3dt03950a","","","0.71073","MoKα","","0.0949","0.0647","","","0.1521","0.1642","","","","","","1.053","","","","has coordinates,has disorder","290160","2024-03-04","20:12:21",""
"7715049","8.616","0.002","8.795","0.002","11.944","0.002","97.23","0.03","95.61","0.03","114.26","0.03","807.3","0.4","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C13 H14 Cl2 N2 O2 Ru S -","- C13 H14 Cl2 N2 O2 Ru S -","- C26 H28 Cl4 N4 O4 Ru2 S2 -","2","1","","Pobłocki, Kacper; Jarzembska, Katarzyna N.; Kamiński, Radosław; Drzeżdżon, Joanna; Deresz, Krystyna A.; Schaniel, Dominik; Gołąbiewska, Anna; Gawdzik, Barbara; Rybiński, Przemysław; Jacewicz, Dagmara","Porous oligomeric materials synthesised using a new, highly active precatalyst based on ruthenium(III) and 2-phenylpyridine.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4194","4203","10.1039/d3dt04091g","","x-ray","0.71073","MoKα","","0.0278","0.023","","","0.0576","0.0599","","","","1.4348","1.4348","1.4145","","","","has coordinates","290207","2024-03-04","20:24:20",""
"7715050","7.2244","0.0016","13.61","0.003","11.705","0.003","90","","94.217","0.004","90","","1147.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H32 N4 O16 Ru2 -","- C10 H36 N4 O15.61 Ru2 -","- C20 H72 N8 O31.22 Ru4 -","2","0.5","","He, Yu-Ru; Zhang, Mi; Huang, Wen-Hui; Xue, Xiang-Xian; Zhou, Zi-Qin; Feng, Li-Na; Yang, Jian-Hui; Liu, Bin","Edge-sharing bi-octahedral diruthenium(IV,IV) compounds containing Ru-Ru bonds chelated and bridged by two carbonate and two oxo groups.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4598","4606","10.1039/d3dt03864e","","","0.71073","MoKα","","0.0521","0.0322","","","0.0637","0.0712","","","","","","0.991","","","","has coordinates","290912","2024-04-04","23:16:48",""
"7715051","7.8283","0.0006","14.3445","0.0011","14.3344","0.0011","90","","90.81","0.002","90","","1609.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H56 N4 O22 Ru2 -","- C14 H52 N4 O22.28 Ru2 -","- C28 H104 N8 O44.56 Ru4 -","2","0.5","","He, Yu-Ru; Zhang, Mi; Huang, Wen-Hui; Xue, Xiang-Xian; Zhou, Zi-Qin; Feng, Li-Na; Yang, Jian-Hui; Liu, Bin","Edge-sharing bi-octahedral diruthenium(IV,IV) compounds containing Ru-Ru bonds chelated and bridged by two carbonate and two oxo groups.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4598","4606","10.1039/d3dt03864e","","","1.34139","GaKα","","0.0244","0.0237","","","0.0622","0.0626","","","","","","1.064","","","","has coordinates","290912","2024-04-04","23:16:49",""
"7715052","7.1221","0.0011","7.1221","0.0011","17.185","0.004","90","","90","","90","","871.7","0.3","296","2","296","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Cl10 K4 O Ru2 -","- Cl10 K4 O Ru2 -","- Cl20 K8 O2 Ru4 -","2","0.0625","","He, Yu-Ru; Zhang, Mi; Huang, Wen-Hui; Xue, Xiang-Xian; Zhou, Zi-Qin; Feng, Li-Na; Yang, Jian-Hui; Liu, Bin","Edge-sharing bi-octahedral diruthenium(IV,IV) compounds containing Ru-Ru bonds chelated and bridged by two carbonate and two oxo groups.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4598","4606","10.1039/d3dt03864e","","","0.71073","MoKα","","0.0422","0.0384","","","0.0876","0.0912","","","","","","1.004","","","","has coordinates","290912","2024-04-04","23:16:49",""
"7715053","9.2137","0.0009","5.9918","0.0006","16.2072","0.0015","90","","96.85","0.001","90","","888.36","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H24 Ni2 O22 Ru2 -","- C2 H24 Ni2 O22 Ru2 -","- C4 H48 Ni4 O44 Ru4 -","2","0.5","","He, Yu-Ru; Zhang, Mi; Huang, Wen-Hui; Xue, Xiang-Xian; Zhou, Zi-Qin; Feng, Li-Na; Yang, Jian-Hui; Liu, Bin","Edge-sharing bi-octahedral diruthenium(IV,IV) compounds containing Ru-Ru bonds chelated and bridged by two carbonate and two oxo groups.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4598","4606","10.1039/d3dt03864e","","","0.71073","MoKα","","0.02","0.0176","","","0.0428","0.0436","","","","","","1.073","","","","has coordinates","290912","2024-04-04","23:16:49",""
"7715054","13.5704","0.0017","9.633","0.0012","7.0067","0.0009","90","","90","","90","","915.9","0.2","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cl5 H2 K2 O Ru -","- Cl5 H2 K2 O Ru -","- Cl20 H8 K8 O4 Ru4 -","4","0.5","","He, Yu-Ru; Zhang, Mi; Huang, Wen-Hui; Xue, Xiang-Xian; Zhou, Zi-Qin; Feng, Li-Na; Yang, Jian-Hui; Liu, Bin","Edge-sharing bi-octahedral diruthenium(IV,IV) compounds containing Ru-Ru bonds chelated and bridged by two carbonate and two oxo groups.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4598","4606","10.1039/d3dt03864e","","","0.71073","MoKα","","0.0417","0.0323","","","0.0754","0.0812","","","","","","1.012","","","","has coordinates","290912","2024-04-04","23:16:49",""
"7715055","7.7401","0.001","9.3154","0.0012","14.1849","0.0018","90","","98.067","0.002","90","","1012.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H28 Mg2 O24 Ru2 -","- C2 H28 Mg2 O24 Ru2 -","- C4 H56 Mg4 O48 Ru4 -","2","0.5","","He, Yu-Ru; Zhang, Mi; Huang, Wen-Hui; Xue, Xiang-Xian; Zhou, Zi-Qin; Feng, Li-Na; Yang, Jian-Hui; Liu, Bin","Edge-sharing bi-octahedral diruthenium(IV,IV) compounds containing Ru-Ru bonds chelated and bridged by two carbonate and two oxo groups.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4598","4606","10.1039/d3dt03864e","","","0.71073","MoKα","","0.0213","0.0187","","","0.0497","0.0511","","","","","","1.094","","","","has coordinates","290912","2024-04-04","23:16:50",""
"7715056","7.1532","0.0003","13.389","0.0005","11.965","0.0006","90","","90.039","0.002","90","","1145.94","0.09","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H36 N4 O14 Ru2 -","- C11.9084 H40 N4 O14 Ru2 -","- C23.8168 H80 N8 O28 Ru4 -","2","0.5","","He, Yu-Ru; Zhang, Mi; Huang, Wen-Hui; Xue, Xiang-Xian; Zhou, Zi-Qin; Feng, Li-Na; Yang, Jian-Hui; Liu, Bin","Edge-sharing bi-octahedral diruthenium(IV,IV) compounds containing Ru-Ru bonds chelated and bridged by two carbonate and two oxo groups.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4598","4606","10.1039/d3dt03864e","","","0.71073","MoKα","","0.0585","0.0449","","","0.1111","0.1173","","","","","","1.087","","","","has coordinates","290912","2024-04-04","23:16:50",""
"7715057","8.5555","0.0003","18.4245","0.0006","8.858","0.0003","90","","106.596","0.004","90","","1338.13","0.08","293","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Co(H2HAM)(OTf)2]","","- C26 H14 Co F6 N6 O6 S2 -","- C26 H14 Co F6 N6 O6 S2 -","- C52 H28 Co2 F12 N12 O12 S4 -","2","0.5","","Ogawa, Mana; Usami, Sayaka; Takahama, Ryo; Iwamoto, Kazuko; Nabeta, Tomomi; Kawashima, Shin; Kojima, Ryoichi; Ohyama, Junya; Hayakawa, Teruaki; Nabae, Yuta; Moriya, Makoto","One-pot gram-scale rapid synthesis of MN<sub>4</sub> complexes with 14-membered ring macrocyclic ligand as a precursor for carbon-based ORR and CO<sub>2</sub>RR catalysts.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4426","4431","10.1039/d3dt04129h","","x-ray","0.71073","MoKα","","0.059","0.0509","","","0.1237","0.1269","","","","","","1.156","","","","has coordinates","290915","2024-04-04","23:17:37",""
"7715058","8.6317","0.0005","18.0397","0.001","9.0167","0.0005","90","","105.391","0.006","90","","1353.67","0.14","293","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Ni(H2HAM)][OTf]2","","- C26 H14 F6 N6 Ni O6 S2 -","- C26 H14 F6 N6 Ni O6 S2 -","- C52 H28 F12 N12 Ni2 O12 S4 -","2","0.5","","Ogawa, Mana; Usami, Sayaka; Takahama, Ryo; Iwamoto, Kazuko; Nabeta, Tomomi; Kawashima, Shin; Kojima, Ryoichi; Ohyama, Junya; Hayakawa, Teruaki; Nabae, Yuta; Moriya, Makoto","One-pot gram-scale rapid synthesis of MN<sub>4</sub> complexes with 14-membered ring macrocyclic ligand as a precursor for carbon-based ORR and CO<sub>2</sub>RR catalysts.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4426","4431","10.1039/d3dt04129h","","x-ray","0.71073","MoKα","","0.0745","0.0581","","","0.1658","0.1819","","","","","","1.064","","","","has coordinates","290915","2024-04-04","23:17:38",""
"7715059","8.5956","0.0002","18.2474","0.0004","8.9518","0.0002","90","","106.02","0.002","90","","1349.54","0.05","293","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Cu(H2HAM)(OTf)2]","","- C26 H12 Cu F6 N6 O6 S2 -","- C26 H12 Cu F6 N6 O6 S2 -","- C52 H24 Cu2 F12 N12 O12 S4 -","2","0.5","","Ogawa, Mana; Usami, Sayaka; Takahama, Ryo; Iwamoto, Kazuko; Nabeta, Tomomi; Kawashima, Shin; Kojima, Ryoichi; Ohyama, Junya; Hayakawa, Teruaki; Nabae, Yuta; Moriya, Makoto","One-pot gram-scale rapid synthesis of MN<sub>4</sub> complexes with 14-membered ring macrocyclic ligand as a precursor for carbon-based ORR and CO<sub>2</sub>RR catalysts.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4426","4431","10.1039/d3dt04129h","","","0.71073","MoKα","","0.0437","0.0408","","","0.1082","0.1102","","","","","","1.063","","","","has coordinates","290915","2024-04-04","23:17:38",""
"7715060","7.509","0.002","10.775","0.003","15.41","0.005","78.307","0.01","89.861","0.012","73.019","0.01","1165.6","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H14 O15.5 Sm -","- C24 H14 O15.5 Sm -","- C48 H28 O31 Sm2 -","2","1","","Wei, Wenwen; Wang, Ai; Lu, Liping; Yuan, Caixia; Feng, Sisi; Englert, Ulli; Ma, Shengqian","Luminescent lanthanide complexes based on 4,5-di(3,5-dicarboxylphenoxy)phthalic acid as enhanced fluorescence probes for highly selective detection of lead(II) ions in water.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3825","3835","10.1039/d3dt04118b","","","0.71073","MoKα","","0.0427","0.0335","","","0.0766","0.0815","","","","","","1.053","","","","has coordinates","290166","2024-03-04","20:13:40",""
"7715061","7.496","0.003","10.785","0.005","15.434","0.007","101.839","0.015","90.238","0.015","107.084","0.015","1164.6","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H14 O15.5 Tb -","- C24 H14 O15.5 Tb -","- C48 H28 O31 Tb2 -","2","1","","Wei, Wenwen; Wang, Ai; Lu, Liping; Yuan, Caixia; Feng, Sisi; Englert, Ulli; Ma, Shengqian","Luminescent lanthanide complexes based on 4,5-di(3,5-dicarboxylphenoxy)phthalic acid as enhanced fluorescence probes for highly selective detection of lead(II) ions in water.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3825","3835","10.1039/d3dt04118b","","","0.71073","MoKα","","0.0493","0.0374","","","0.0799","0.0861","","","","","","1.082","","","","has coordinates","290166","2024-03-04","20:13:40",""
"7715062","7.502","0.002","10.76","0.003","15.384","0.005","101.563","0.01","90.412","0.011","107.13","0.01","1159.7","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H14 Gd O15.5 -","- C24 H14 Gd O15.5 -","- C48 H28 Gd2 O31 -","2","1","","Wei, Wenwen; Wang, Ai; Lu, Liping; Yuan, Caixia; Feng, Sisi; Englert, Ulli; Ma, Shengqian","Luminescent lanthanide complexes based on 4,5-di(3,5-dicarboxylphenoxy)phthalic acid as enhanced fluorescence probes for highly selective detection of lead(II) ions in water.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3825","3835","10.1039/d3dt04118b","","","0.71073","MoKα","","0.0758","0.0542","","","0.1179","0.141","","","","","","1.065","","","","has coordinates","290166","2024-03-04","20:13:40",""
"7715063","12.6244","0.0012","14.3756","0.0014","17.2215","0.0016","90","","95.016","0.004","90","","3113.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29.23 Nd2 O24.6 -","- C24 H29.16 Nd2 O24.58 -","- C96 H116.64 Nd8 O98.32 -","4","1","","Wei, Wenwen; Wang, Ai; Lu, Liping; Yuan, Caixia; Feng, Sisi; Englert, Ulli; Ma, Shengqian","Luminescent lanthanide complexes based on 4,5-di(3,5-dicarboxylphenoxy)phthalic acid as enhanced fluorescence probes for highly selective detection of lead(II) ions in water.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3825","3835","10.1039/d3dt04118b","","","0.71073","MoKα","","0.0666","0.0474","","","0.1106","0.1194","","","","","","1.058","","","","has coordinates,has disorder","290166","2024-03-04","20:13:40",""
"7715064","9.17","0.0002","6.5296","0.0002","15.4974","0.0004","90","","97.747","0.002","90","","919.46","0.04","170","0.1","170","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 N6 O6 -","- C6 H6 N6 O6 -","- C24 H24 N24 O24 -","4","1","","Guo, Xiaoyu; Feng, Yizhen; Zhi, Shengjie; Fu, Yajie; Liu, Yingle; Liu, Qiangqiang; Gao, Haixiang","Obtaining superior high-density fused-ring energetic materials <i>via</i> the introduction of carbonyl, <i>o</i>-NH<sub>2</sub>-NO<sub>2</sub> and nitroamino groups.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4035","4040","10.1039/d3dt04237e","","x-ray","1.54184","CuKα","","0.0383","0.0351","","","0.0921","0.0952","","","","","","1.042","","","","has coordinates","290215","2024-03-04","20:25:41",""
"7715065","6.7948","0.0004","9.4387","0.0005","16.5829","0.0012","90","","92.635","0.006","90","","1062.4","0.11","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 N8 O8 -","- C6 H6 N8 O8 -","- C24 H24 N32 O32 -","4","1","","Guo, Xiaoyu; Feng, Yizhen; Zhi, Shengjie; Fu, Yajie; Liu, Yingle; Liu, Qiangqiang; Gao, Haixiang","Obtaining superior high-density fused-ring energetic materials <i>via</i> the introduction of carbonyl, <i>o</i>-NH<sub>2</sub>-NO<sub>2</sub> and nitroamino groups.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4035","4040","10.1039/d3dt04237e","","x-ray","1.54184","CuKα","","0.0535","0.0437","","","0.1091","0.1141","","","","","","1.047","","","","has coordinates","290215","2024-03-04","20:25:42",""
"7715066","6.2185","0.0004","17.8398","0.001","16.5515","0.001","90","","97.761","0.006","90","","1819.35","0.19","169.99","0.1","169.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 N6 O5 -","- C6 H6 N6 O5 -","- C48 H48 N48 O40 -","8","2","","Guo, Xiaoyu; Feng, Yizhen; Zhi, Shengjie; Fu, Yajie; Liu, Yingle; Liu, Qiangqiang; Gao, Haixiang","Obtaining superior high-density fused-ring energetic materials <i>via</i> the introduction of carbonyl, <i>o</i>-NH<sub>2</sub>-NO<sub>2</sub> and nitroamino groups.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4035","4040","10.1039/d3dt04237e","","x-ray","0.71073","MoKα","","0.0509","0.0401","","","0.0929","0.1","","","","","","1.034","","","","has coordinates","290215","2024-03-04","20:25:42",""
"7715067","7.4219","0.0008","8.2617","0.001","9.2067","0.0011","102.679","0.002","98.698","0.002","98.525","0.002","534.71","0.11","173","2","173","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 Ag3 Fe N9 -","- C17 H16 Ag3 Fe N9 -","- C17 H16 Ag3 Fe N9 -","1","0.5","","Sirenko, Valerii Y.; Kucheriv, Olesia I.; Shova, Sergiu; Shylin, Sergii I.; Ksenofontov, Vadim; Fritsky, Igor O.; Tremel, Wolfgang; Gural'skiy, Il'ya A.","Nature of cyanoargentate bridges defining spin crossover in new 2D Hofmann clathrate analogues.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4251","4259","10.1039/d3dt04372j","","","0.71073","MoKα","","0.0401","0.0373","","","0.0953","0.0975","","","","","","1.049","","","","has coordinates,has disorder","290214","2024-03-04","20:25:33",""
"7715068","7.5786","0.0016","8.5161","0.0019","9.63","0.002","104.052","0.006","101.17","0.006","97.383","0.006","581.4","0.2","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 Ag3 Fe N9 -","- C17 H16 Ag3 Fe N9 -","- C17 H16 Ag3 Fe N9 -","1","0.5","","Sirenko, Valerii Y.; Kucheriv, Olesia I.; Shova, Sergiu; Shylin, Sergii I.; Ksenofontov, Vadim; Fritsky, Igor O.; Tremel, Wolfgang; Gural'skiy, Il'ya A.","Nature of cyanoargentate bridges defining spin crossover in new 2D Hofmann clathrate analogues.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4251","4259","10.1039/d3dt04372j","","","0.71073","MoKα","","0.0371","0.0341","","","0.0863","0.0881","","","","","","1.116","","","","has coordinates,has disorder","290214","2024-03-04","20:25:33",""
"7715069","12.4042","0.0007","10.589","0.0005","17.3831","0.0016","90","","92.44","0.007","90","","2281.2","0.3","304","5","304.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Ag2 Fe N8 -","- C16 H16 Ag2 Fe N8 -","- C64 H64 Ag8 Fe4 N32 -","4","1","","Sirenko, Valerii Y.; Kucheriv, Olesia I.; Shova, Sergiu; Shylin, Sergii I.; Ksenofontov, Vadim; Fritsky, Igor O.; Tremel, Wolfgang; Gural'skiy, Il'ya A.","Nature of cyanoargentate bridges defining spin crossover in new 2D Hofmann clathrate analogues.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4251","4259","10.1039/d3dt04372j","","","0.71073","MoKα","","0.0817","0.0538","","","0.0978","0.1111","","","","","","1.075","","","","has coordinates,has disorder","290214","2024-03-04","20:25:33",""
"7715070","11.821","0.0006","10.245","0.0004","17.5337","0.0007","90","","94.401","0.004","90","","2117.18","0.16","200","0.1","200.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Ag2 Fe N8 -","- C16 H16 Ag2 Fe N8 -","- C64 H64 Ag8 Fe4 N32 -","4","1","","Sirenko, Valerii Y.; Kucheriv, Olesia I.; Shova, Sergiu; Shylin, Sergii I.; Ksenofontov, Vadim; Fritsky, Igor O.; Tremel, Wolfgang; Gural'skiy, Il'ya A.","Nature of cyanoargentate bridges defining spin crossover in new 2D Hofmann clathrate analogues.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4251","4259","10.1039/d3dt04372j","","","0.71073","MoKα","","0.0541","0.0452","","","0.0971","0.1011","","","","","","1.109","","","","has coordinates,has disorder","290214","2024-03-04","20:25:33",""
"7715071","7.604","0.0016","9.2193","0.0019","13.11","0.003","90","","95.532","0.005","90","","914.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H22 B20 S2 -","- C4 H22 B20 S2 -","- C8 H44 B40 S4 -","2","0.5","","Riffle, Jared R.; Hemingway, Tyler M.; Smith, Mark D.; Peryshkov, Dmitry V.","Synthesis and cluster structure distortions of biscarborane dithiol, thioether, and disulfide.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4444","4450","10.1039/d3dt04289h","","x-ray","0.71073","MoKα","","0.0732","0.0485","","","0.1187","0.134","","","","","","1.084","","","","has coordinates","290924","2024-04-04","23:21:27",""
"7715072","6.928","0.0005","8.0128","0.0006","10.0978","0.0007","79.295","0.002","70.057","0.002","70.854","0.002","496.07","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H26 B20 S2 -","- C6 H26 B20 S2 -","- C6 H26 B20 S2 -","1","0.5","","Riffle, Jared R.; Hemingway, Tyler M.; Smith, Mark D.; Peryshkov, Dmitry V.","Synthesis and cluster structure distortions of biscarborane dithiol, thioether, and disulfide.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4444","4450","10.1039/d3dt04289h","","x-ray","0.71073","MoKα","","0.0337","0.0269","","","0.0756","0.0784","","","","","","1.101","","","","has coordinates","290924","2024-04-04","23:21:27",""
"7715073","9.8304","0.0003","10.2692","0.0004","12.8148","0.0004","95.495","0.002","106.131","0.001","107.556","0.001","1161.85","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H68 B20 K2 O6 S2 -","- C28 H68 B20 K2 O6 S2 -","- C28 H68 B20 K2 O6 S2 -","1","0.5","","Riffle, Jared R.; Hemingway, Tyler M.; Smith, Mark D.; Peryshkov, Dmitry V.","Synthesis and cluster structure distortions of biscarborane dithiol, thioether, and disulfide.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4444","4450","10.1039/d3dt04289h","","x-ray","0.71073","MoKα","","0.0566","0.0372","","","0.0803","0.0879","","","","","","1.02","","","","has coordinates,has disorder","290924","2024-04-04","23:21:27",""
"7715074","21.2698","0.0008","6.9867","0.0002","12.5238","0.0004","90","","90","","90","","1861.11","0.11","300","2","300","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C4 H20 B20 S2 -","- C4 H20 B20 S2 -","- C16 H80 B80 S8 -","4","1","","Riffle, Jared R.; Hemingway, Tyler M.; Smith, Mark D.; Peryshkov, Dmitry V.","Synthesis and cluster structure distortions of biscarborane dithiol, thioether, and disulfide.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4444","4450","10.1039/d3dt04289h","","x-ray","0.71073","MoKα","","0.0432","0.0334","","","0.0747","0.0799","","","","","","1.097","","","","has coordinates","290924","2024-04-04","23:21:27",""
"7715075","20.5322","0.0006","7.197","0.0002","23.6579","0.001","90","","106.964","0.001","90","","3343.8","0.2","300","2","300","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C16 H52 B20 N2 S2 -","- C16 H52 B20 N2 S2 -","- C64 H208 B80 N8 S8 -","4","0.5","","Riffle, Jared R.; Hemingway, Tyler M.; Smith, Mark D.; Peryshkov, Dmitry V.","Synthesis and cluster structure distortions of biscarborane dithiol, thioether, and disulfide.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4444","4450","10.1039/d3dt04289h","","x-ray","0.71073","MoKα","","0.0504","0.0393","","","0.1064","0.1131","","","","","","1.075","","","","has coordinates,has disorder","290924","2024-04-04","23:21:27",""
"7715076","43.403","0.01","11.311","0.003","20.644","0.005","90","","103.059","0.007","90","","9873","4","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H92 B20 N2 S2 -","- C36 H92 B20 N2 S2 -","- C288 H736 B160 N16 S16 -","8","2","","Riffle, Jared R.; Hemingway, Tyler M.; Smith, Mark D.; Peryshkov, Dmitry V.","Synthesis and cluster structure distortions of biscarborane dithiol, thioether, and disulfide.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4444","4450","10.1039/d3dt04289h","","x-ray","0.71073","MoKα","","0.1161","0.0964","","","0.253","0.2733","","","","","","1.05","","","","has coordinates,has disorder","290924","2024-04-04","23:21:27",""
"7715077","10.0766","0.0011","10.5933","0.0012","12.4062","0.0012","90","","93.045","0.004","90","","1322.4","0.2","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Mo O8 -","- C12 H10 Mo O8 -","- C48 H40 Mo4 O32 -","4","0.5","","Pawar, Swapnil S.; Ketkar, Rohit N.; Gaware, Pranav B.; Jagushte, Kaustubh U.; Dhawne, Divyani; Save, Shreyada N.; Sharma, Shilpy; Periyasamy, Ganga; Chimthanawala, Niyamat; Sathaye, Sadhana; Joshi, Shreerang V.; Sadhukhan, Nabanita","Molybdenum-maltolate as a molybdopterin mimic for bioinspired oxidation reaction.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5770","5774","10.1039/d3dt04296k","","","0.71073","MoKα","","0.0176","0.0171","","","0.0458","0.0461","","","","","","1.151","","","","has coordinates","290937","2024-04-04","23:26:07",""
"7715078","6.9493","0.0004","7.1414","0.0004","30.2196","0.0013","85.419","0.004","86.684","0.004","70.931","0.005","1412.1","0.14","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C6 H6 O3 -","- C6 H6 O3 -","- C60 H60 O30 -","10","5","","Pawar, Swapnil S.; Ketkar, Rohit N.; Gaware, Pranav B.; Jagushte, Kaustubh U.; Dhawne, Divyani; Save, Shreyada N.; Sharma, Shilpy; Periyasamy, Ganga; Chimthanawala, Niyamat; Sathaye, Sadhana; Joshi, Shreerang V.; Sadhukhan, Nabanita","Molybdenum-maltolate as a molybdopterin mimic for bioinspired oxidation reaction.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5770","5774","10.1039/d3dt04296k","","x-ray","1.54184","CuKα","","0.1352","0.0907","","","0.2389","0.3199","","","","","","1.081","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7715079","13.1191","0.0003","9.284","0.0002","17.8157","0.0005","90","","100.383","0.002","90","","2134.38","0.09","130","9","130","9","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 Ga N3 S6 -","- C15 H24 Ga N3 S6 -","- C60 H96 Ga4 N12 S24 -","4","1","","Salvarese, Nicola; Morellato, Nicolò; Gobbi, Carolina; Gandin, Valentina; De Franco, Michele; Marzano, Cristina; Dolmella, Alessandro; Bolzati, Cristina","Synthesis, characterization and <i>in vitro</i> cytotoxicity of gallium(III)-dithiocarbamate complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4526","4543","10.1039/d3dt03552b","","","0.7107","MoKα","","0.0434","0.0289","","","0.0607","0.0668","","","","","","1.056","","","","has coordinates","290919","2024-04-04","23:18:38",""
"7715080","17.0141","0.0004","14.1126","0.0003","30.8701","0.0008","90","","105.711","0.003","90","","7135.4","0.3","175","4","175","4","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C9 H18 Ga N3 S6 -","- C9 H18 Ga N3 S6 -","- C144 H288 Ga16 N48 S96 -","16","2","","Salvarese, Nicola; Morellato, Nicolò; Gobbi, Carolina; Gandin, Valentina; De Franco, Michele; Marzano, Cristina; Dolmella, Alessandro; Bolzati, Cristina","Synthesis, characterization and <i>in vitro</i> cytotoxicity of gallium(III)-dithiocarbamate complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4526","4543","10.1039/d3dt03552b","","","0.71073","MoKα","","0.0579","0.0356","","","0.0729","0.0801","","","","","","1.006","","","","has coordinates,has disorder","290919","2024-04-04","23:18:38",""
"7715081","10.3567","0.0007","17.1715","0.0014","17.2231","0.0014","90","","90.13","0.007","90","","3062.9","0.4","142.9","0.2","142.9","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H42 Ga N3 S6 -","- C21 H42 Ga N3 S6 -","- C84 H168 Ga4 N12 S24 -","4","1","","Salvarese, Nicola; Morellato, Nicolò; Gobbi, Carolina; Gandin, Valentina; De Franco, Michele; Marzano, Cristina; Dolmella, Alessandro; Bolzati, Cristina","Synthesis, characterization and <i>in vitro</i> cytotoxicity of gallium(III)-dithiocarbamate complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4526","4543","10.1039/d3dt03552b","","","0.7107","MoKα","","0.1379","0.0764","","","0.1697","0.2061","","","","","","1.011","","","","has coordinates","290919","2024-04-04","23:18:38",""
"7715082","13.2161","0.0006","11.9598","0.0004","15.9645","0.0009","90","","100.562","0.005","90","","2480.6","0.2","129.8","0.3","129.8","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 Ga N3 S6 -","- C18 H30 Ga N3 S6 -","- C72 H120 Ga4 N12 S24 -","4","1","","Salvarese, Nicola; Morellato, Nicolò; Gobbi, Carolina; Gandin, Valentina; De Franco, Michele; Marzano, Cristina; Dolmella, Alessandro; Bolzati, Cristina","Synthesis, characterization and <i>in vitro</i> cytotoxicity of gallium(III)-dithiocarbamate complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4526","4543","10.1039/d3dt03552b","","","0.7107","MoKα","","0.0776","0.0441","","","0.0946","0.1105","","","","","","1.026","","","","has coordinates","290919","2024-04-04","23:18:38",""
"7715083","10.03891","0.00018","13.4326","0.0002","15.1709","0.0004","102.87","0.0018","100.432","0.0019","94.338","0.0014","1947.02","0.07","172.8","0.5","172.8","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C27 H54 Ga N3 O6 S6 -","- C27 H54 Ga N3 O6 S6 -","- C54 H108 Ga2 N6 O12 S12 -","2","1","","Salvarese, Nicola; Morellato, Nicolò; Gobbi, Carolina; Gandin, Valentina; De Franco, Michele; Marzano, Cristina; Dolmella, Alessandro; Bolzati, Cristina","Synthesis, characterization and <i>in vitro</i> cytotoxicity of gallium(III)-dithiocarbamate complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4526","4543","10.1039/d3dt03552b","","","0.7107","MoKα","","0.0507","0.0385","","","0.0882","0.0956","","","","","","1.022","","","","has coordinates,has disorder","290919","2024-04-04","23:18:38",""
"7715084","26.499","0.004","11.4792","0.0015","22.902","0.003","90","","99.026","0.004","90","","6880.2","1.6","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H34 Au Cl N2 O -","- C41 H34 Au Cl N2 O -","- C328 H272 Au8 Cl8 N16 O8 -","8","2","","Zhang, Jin; Liu, Ting; Zhang, Gaopeng; Cai, Jianglong; Wang, Yue; Tong, Jianbo; Ma, Yangmin; Szostak, Roman; Szostak, Michal","Indazolin-3-ylidenes (Indy*): easily accessible, sterically-hindered indazole-derived N-heterocyclic carbenes and their application in gold catalysis.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4260","4265","10.1039/d4dt00287c","","","0.71073","MoKα","","0.097","0.0422","","","0.0692","0.0878","","","","","","1.038","","","","has coordinates","295862","2024-11-09","12:08:13",""
"7715085","9.6522","0.0015","17.489","0.003","20.153","0.003","90","","96.606","0.005","90","","3379.4","0.9","273.15","","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H34 Au Cl N2 -","- C41 H34 Au Cl N2 -","- C164 H136 Au4 Cl4 N8 -","4","1","","Zhang, Jin; Liu, Ting; Zhang, Gaopeng; Cai, Jianglong; Wang, Yue; Tong, Jianbo; Ma, Yangmin; Szostak, Roman; Szostak, Michal","Indazolin-3-ylidenes (Indy*): easily accessible, sterically-hindered indazole-derived N-heterocyclic carbenes and their application in gold catalysis.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4260","4265","10.1039/d4dt00287c","","","0.71073","MoKα","","0.0426","0.0278","","","0.0515","0.0585","","","","","","1.128","","","","has coordinates","290205","2024-03-04","20:24:01",""
"7715086","12.8951","0.0005","6.9779","0.0002","15.6193","0.0006","90","","97.804","0.004","90","","1392.42","0.09","100","0.13","100","0.13","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C22.5 H37.25 Br1.5 Cl0.5 Fe N4.75 O3 -","- C19 H32 Br1.502 Cl0.498 Fe N3 O3 -","- C38 H64 Br3.004 Cl0.996 Fe2 N6 O6 -","2","1","","Kras, Elizabeth A.; Cineus, Roy; Crawley, Matthew R.; Morrow, Janet R.","Macrocyclic complexes of Fe(III) with mixed hydroxypropyl and phenolate or amide pendants as T<sub>1</sub> MRI probes.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4154","4164","10.1039/d3dt04013e","","x-ray","1.54184","CuKα","","0.0556","0.0452","","","0.1213","0.1282","","","","","","1.046","","","","has coordinates,has disorder","290213","2024-03-04","20:25:24",""
"7715087","5.8818","0.0003","34.912","0.002","18.5705","0.0012","90","","97.076","0.006","90","","3784.3","0.4","150","0.1","150","0.1","","","","","","","","6","C 1 2/m 1","-C 2y","12","","TTF(PhPhCOO)4 Zn2 DMAc","","- C66 H50 N2 O10 S4 Zn2 -","- C66 H50 N2 O10 S4 Zn2 -","- C132 H100 N4 O20 S8 Zn4 -","2","0.25","","Zigon, Nicolas; Solano, Federica; Auban-Senzier, Pascale; Grolleau, Stéphane; Devic, Thomas; Zolotarev, Pavel N.; Proserpio, Davide M.; Barszcz, Bolesław; Olejniczak, Iwona; Avarvari, Narcis","A redox active rod coordination polymer from tetrakis(4-carboxylic acid biphenyl)tetrathiafulvalene.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4805","4813","10.1039/d3dt04280d","","x-ray","1.54184","CuKα","","0.0748","0.0548","","","0.1455","0.1595","","","","","","1.049","","","","has coordinates,has disorder","290926","2024-04-04","23:21:48",""
"7715088","9.0464","0.0006","16.8087","0.0008","21.6001","0.0011","69.636","0.005","85.008","0.005","75.34","0.005","2978.9","0.3","294.7","0.8","294.7","0.8","","","","","","","","4","P -1","-P 1","2","","TTF(PhPhCOOMe)4","","- C62 H44 O8 S4 -","- C62 H44 O8 S4 -","- C124 H88 O16 S8 -","2","1","","Zigon, Nicolas; Solano, Federica; Auban-Senzier, Pascale; Grolleau, Stéphane; Devic, Thomas; Zolotarev, Pavel N.; Proserpio, Davide M.; Barszcz, Bolesław; Olejniczak, Iwona; Avarvari, Narcis","A redox active rod coordination polymer from tetrakis(4-carboxylic acid biphenyl)tetrathiafulvalene.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4805","4813","10.1039/d3dt04280d","","","1.54184","CuKα","","0.0849","0.0565","","","0.1493","0.1733","","","","","","0.975","","","","has coordinates","290926","2024-04-04","23:21:48",""
"7715089","15.7684","0.0006","13.2865","0.0005","11.4134","0.0006","90","","108.406","0.002","90","","2268.86","0.17","293.15","","293.15","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C10 H28 Br6 N4 Sn -","- C10 H28 Br6 N4 Sn -","- C40 H112 Br24 N16 Sn4 -","4","0.5","","Lv, Jing-Ning; Zhang, Jie; Liu, Yu-Meng; Zhang, Shao-Ya; Deng, Xiang-Yuan; Xu, Man; Lei, Xiao-Wu; Chen, Zhi-Wei; Yue, Cheng-Yang","Zero-dimensional hybrid tin halides with stable broadband light emissions.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4698","4704","10.1039/d3dt03937d","","","0.71076","MoKα","","0.0479","0.0428","","","0.1203","0.125","","","","","","1.047","","","","has coordinates,has disorder","290918","2024-04-04","23:18:25",""
"7715090","15.518","0.008","12.908","0.007","11.136","0.008","90","","109.4","0.02","90","","2104","2","293.15","","293.15","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C10 H28 Cl6 N4 O Sn -","- C10 H28 Cl6 N4 O Sn -","- C40 H112 Cl24 N16 O4 Sn4 -","4","0.5","","Lv, Jing-Ning; Zhang, Jie; Liu, Yu-Meng; Zhang, Shao-Ya; Deng, Xiang-Yuan; Xu, Man; Lei, Xiao-Wu; Chen, Zhi-Wei; Yue, Cheng-Yang","Zero-dimensional hybrid tin halides with stable broadband light emissions.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4698","4704","10.1039/d3dt03937d","","","0.71076","MoKα","","0.0401","0.0372","","","0.0978","0.1004","","","","","","1.063","","","","has coordinates,has disorder","290918","2024-04-04","23:18:26",""
"7715091","34.033","0.004","20.515","0.002","7.811","0.001","90","","95.204","0.004","90","","5431.1","1.1","273.15","","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H59 Co3 N8 O20 -","- C49 H39 Co3 N8 O12 -","- C196 H156 Co12 N32 O48 -","4","0.5","","Ma, Wan-Lin; Zhang, Ya-Qian; Li, Wen-Ze; Li, Jing; Luan, Jian","Fabrication of carbon-based materials derived from a cobalt-based organic framework for enhancing photocatalytic degradation of dyes.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4314","4324","10.1039/d3dt04055k","","","0.71073","MoKα","","0.1003","0.0777","","","0.2317","0.255","","","","","","1.059","","","","has coordinates,has disorder","290210","2024-03-04","20:24:57",""
"7715092","5.7442","0.0001","5.7442","0.0001","21.0484","0.0006","90","","90","","120","","601.46","0.02","300","2","300","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","potassium fluoridooxidovanadate","potassium fluoridooxidovanadate","","- F5.7 K3 O3.3 V2 -","- F5.7 K3 O3.3 V2 -","- F17.1 K9 O9.9 V6 -","3","0.0833333","","Zimmerhofer, Fabian; Wolf, Eric; Öcal, Baris; Olthof, Selina; Reimann, Maximilian Kai; Pöttgen, Rainer; Huppertz, Hubert","K<sub>3</sub>Mo<sub>2</sub>O<sub>5.6</sub>F<sub>3.4</sub> and K<sub>3</sub>V<sub>2</sub>O<sub>3.3</sub>F<sub>5.7</sub> - exploring transition metal cation valence and anion distribution in oxyfluorides.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4278","4290","10.1039/d4dt00064a","","","0.71073","MoKα","","0.031","0.0271","","","0.0622","0.0655","","","","","","1.0139","","","","has coordinates","290216","2024-03-04","20:25:56",""
"7715093","5.7983","0.0001","5.7983","0.0001","21.1801","0.0005","90","","90","","120","","616.68","0.02","300","2","300","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","potassium fluoridooxidomolybdate","potassium fluoridooxidomolybdate","","- F3.4 K3 Mo2 O5.6 -","- F3.3996 K3 Mo2 O5.5998 -","- F10.1988 K9 Mo6 O16.7994 -","3","0.0833333","","Zimmerhofer, Fabian; Wolf, Eric; Öcal, Baris; Olthof, Selina; Reimann, Maximilian Kai; Pöttgen, Rainer; Huppertz, Hubert","K<sub>3</sub>Mo<sub>2</sub>O<sub>5.6</sub>F<sub>3.4</sub> and K<sub>3</sub>V<sub>2</sub>O<sub>3.3</sub>F<sub>5.7</sub> - exploring transition metal cation valence and anion distribution in oxyfluorides.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4278","4290","10.1039/d4dt00064a","","","0.71073","MoKα","","0.0435","0.0416","","","0.1535","0.1589","","","","","","1.0189","","","","has coordinates,has disorder","290216","2024-03-04","20:25:56",""
"7715094","10.103","0.0003","11.3908","0.0004","11.9634","0.0005","63.205","0.004","71.84","0.003","71.697","0.003","1143.02","0.08","102","","102","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H52 O16 Ru2 -","- C48 H52 O16 Ru2 -","- C48 H52 O16 Ru2 -","1","0.5","","Itoh, Chisa; Yoshino, Haruka; Kitayama, Taku; Kosaka, Wataru; Miyasaka, Hitoshi","Post-synthetic molecular modifications based on Schiff base condensation reactions for designing functional paddlewheel diruthenium(II,II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","444","448","10.1039/d3dt03535b","","x-ray","0.71073","MoKα","","0.0297","0.0249","","","0.0619","0.0635","","","","","","1.067","","","","has coordinates","289306","2024-02-04","02:00:00",""
"7715095","9.2598","0.0005","10.9329","0.0008","11.6726","0.0008","63.049","0.007","86.323","0.005","84.182","0.005","1047.71","0.14","102","","102","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 F12 O12 Ru2 -","- C42 H32 F12 O12 Ru2 -","- C42 H32 F12 O12 Ru2 -","1","0.5","","Itoh, Chisa; Yoshino, Haruka; Kitayama, Taku; Kosaka, Wataru; Miyasaka, Hitoshi","Post-synthetic molecular modifications based on Schiff base condensation reactions for designing functional paddlewheel diruthenium(II,II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","444","448","10.1039/d3dt03535b","","","0.71073","MoKα","","0.0517","0.0369","","","0.0848","0.0902","","","","","","1.034","","","","has coordinates","289306","2024-02-04","02:00:31",""
"7715096","18.5812","0.0008","16.5825","0.0006","8.7476","0.0003","90","","91.443","0.004","90","","2694.48","0.18","102","","102","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H56 N4 O10 Ru2 -","- C64 H56 N4 O10 Ru2 -","- C128 H112 N8 O20 Ru4 -","2","0.5","","Itoh, Chisa; Yoshino, Haruka; Kitayama, Taku; Kosaka, Wataru; Miyasaka, Hitoshi","Post-synthetic molecular modifications based on Schiff base condensation reactions for designing functional paddlewheel diruthenium(II,II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","444","448","10.1039/d3dt03535b","","","0.71073","MoKα","","0.0588","0.043","","","0.1011","0.108","","","","","","1.049","","","","has coordinates","289306","2024-02-04","02:00:47",""
"7715097","10.234","0.0002","12.2457","0.0003","16.2701","0.0003","111.777","0.002","103.696","0.002","93.94","0.002","1811.75","0.08","102","","102","","","","","","","","","6","P -1","-P 1","2","","","","- C82 H64 F12 N2 O12 Ru2 -","- C82 H64 F12 N2 O12 Ru2 -","- C82 H64 F12 N2 O12 Ru2 -","1","0.5","","Itoh, Chisa; Yoshino, Haruka; Kitayama, Taku; Kosaka, Wataru; Miyasaka, Hitoshi","Post-synthetic molecular modifications based on Schiff base condensation reactions for designing functional paddlewheel diruthenium(II,II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","444","448","10.1039/d3dt03535b","","","0.71073","MoKα","","0.0635","0.0528","","","0.1432","0.1502","","","","","","1.082","","","","has coordinates,has disorder","289306","2024-02-04","02:00:58",""
"7715098","9.8839","0.0005","11.1","0.0007","14.5687","0.0007","71.855","0.005","71.325","0.004","86.942","0.005","1436.99","0.15","102","","102","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H42 F12 N2 O13 Ru2 -","- C60 H42 F12 N2 O13 Ru2 -","- C60 H42 F12 N2 O13 Ru2 -","1","0.5","","Itoh, Chisa; Yoshino, Haruka; Kitayama, Taku; Kosaka, Wataru; Miyasaka, Hitoshi","Post-synthetic molecular modifications based on Schiff base condensation reactions for designing functional paddlewheel diruthenium(II,II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","444","448","10.1039/d3dt03535b","","","0.71073","MoKα","","0.084","0.058","","","0.1332","0.142","","","","","","1.021","","","","has coordinates,has disorder","289306","2024-02-04","02:01:03",""
"7715099","17.6693","0.0007","17.6693","0.0007","32.9554","0.0014","90","","90","","90","","10288.8","0.7","102","","102","","","","","","","","","5","P 42/m","-P 4c","84","","","","- C72 H58 N4 O15 Ru2 -","- C72 H58 N4 O15 Ru2 -","- C432 H348 N24 O90 Ru12 -","6","0.75","","Itoh, Chisa; Yoshino, Haruka; Kitayama, Taku; Kosaka, Wataru; Miyasaka, Hitoshi","Post-synthetic molecular modifications based on Schiff base condensation reactions for designing functional paddlewheel diruthenium(II,II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","444","448","10.1039/d3dt03535b","","x-ray","0.71073","MoKα","","0.129","0.0885","","","0.2181","0.2576","","","","","","1.049","","","","has coordinates","289306","2024-02-04","02:01:07",""
"7715100","10.5516","0.0008","10.9165","0.0009","15.3597","0.0013","89.27","0.003","86.508","0.003","88.089","0.003","1764.9","0.2","299","2","299","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H13 Au Cl10 N3 S Tl -","- C31 H13 Au Cl10 N3 S Tl -","- C62 H26 Au2 Cl20 N6 S2 Tl2 -","2","1","","Royo, David; Moreno, Sonia; Rodríguez-Castillo, María; Monge, Miguel; Olmos, M. Elena; Zubkov, Fedor I.; Pronina, Anastasia A.; Mahmoudi, Ghodrat; López-de-Luzuriaga, José M","Terpyridine isomerism as a tool for tuning red-to-NIR emissive properties in heteronuclear gold(I)-thallium(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4652","4661","10.1039/d3dt04161a","","","0.71073","MoKα","","0.0932","0.0589","","","0.1382","0.1548","","","","","","1.021","","","","has coordinates,has disorder","290917","2024-04-04","23:18:16",""
"7715101","44.5975","0.0015","10.7247","0.0003","30.8509","0.001","90","","124.124","0.001","90","","12215.2","0.7","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C43 H13 Au2 Cl20 N3 S Tl2 -","- C43 H13 Au2 Cl20 N3 S Tl2 -","- C344 H104 Au16 Cl160 N24 S8 Tl16 -","8","1","","Royo, David; Moreno, Sonia; Rodríguez-Castillo, María; Monge, Miguel; Olmos, M. Elena; Zubkov, Fedor I.; Pronina, Anastasia A.; Mahmoudi, Ghodrat; López-de-Luzuriaga, José M","Terpyridine isomerism as a tool for tuning red-to-NIR emissive properties in heteronuclear gold(I)-thallium(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4652","4661","10.1039/d3dt04161a","","","0.71073","MoKα","","0.1379","0.0696","","","0.1873","0.2313","","","","","","1.02","","","","has coordinates,has disorder","290917","2024-04-04","23:18:18",""
"7715102","11.2372","0.0004","12.8751","0.0004","13.5564","0.0006","76.627","0.001","85.905","0.001","69.107","0.001","1782.56","0.12","296","2","296","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H13 Au Cl10 N3 S Tl -","- C31 H13 Au Cl10 N3 S Tl -","- C62 H26 Au2 Cl20 N6 S2 Tl2 -","2","1","","Royo, David; Moreno, Sonia; Rodríguez-Castillo, María; Monge, Miguel; Olmos, M. Elena; Zubkov, Fedor I.; Pronina, Anastasia A.; Mahmoudi, Ghodrat; López-de-Luzuriaga, José M","Terpyridine isomerism as a tool for tuning red-to-NIR emissive properties in heteronuclear gold(I)-thallium(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4652","4661","10.1039/d3dt04161a","","","0.71073","MoKα","","0.0469","0.0277","","","0.0475","0.0545","","","","","","1.0709","","","","has coordinates,has disorder","290917","2024-04-04","23:18:18",""
"7715103","9.8009","0.0002","14.1903","0.0003","16.5817","0.0004","83.352","0.001","84.872","0.002","73.306","0.001","2190.27","0.08","213","","213","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H38 Cl2 N6 O Pt2 -","- C45 H38 Cl2 N6 O Pt2 -","- C90 H76 Cl4 N12 O2 Pt4 -","2","1","","Yuan, Lequn; Yao, Haibo; Shen, Yunjun; Zhang, Yuzhen","A cyclometalated Pt(II)-Pt(II) clamshell dimer with a triplet emission at 887 nm.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5125","5132","10.1039/d3dt04335e","","","1.34139","GaKα","","0.0567","0.044","","","0.1084","0.1164","","","","","","1.062","","","","has coordinates","290971","2024-04-04","23:33:17",""
"7715104","15.2393","0.0015","17.0218","0.0015","21.676","0.002","87.771","0.005","85.211","0.006","72.665","0.005","5348.1","0.9","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C58 H40 N8 Pt2 -","- C29 N4 Pt -","- C116 N16 Pt4 -","4","2","","Yuan, Lequn; Yao, Haibo; Shen, Yunjun; Zhang, Yuzhen","A cyclometalated Pt(II)-Pt(II) clamshell dimer with a triplet emission at 887 nm.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5125","5132","10.1039/d3dt04335e","","","1.54178","CuKα","","0.1624","0.1357","","","0.3196","0.3335","","","","","","0.998","","","","has coordinates","290971","2024-04-04","23:33:19",""
"7715105","11.3936","0.0003","14.8792","0.0004","42.2998","0.001","90","","94.09","0.001","90","","7152.7","0.3","213","","213","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H21 Cl N4 Pt -","- C29 H21 Cl N4 Pt -","- C348 H252 Cl12 N48 Pt12 -","12","3","","Yuan, Lequn; Yao, Haibo; Shen, Yunjun; Zhang, Yuzhen","A cyclometalated Pt(II)-Pt(II) clamshell dimer with a triplet emission at 887 nm.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5125","5132","10.1039/d3dt04335e","","","1.34139","GaKα","","0.0502","0.042","","","0.1059","0.1105","","","","","","1.07","","","","has coordinates","290971","2024-04-04","23:33:19",""
"7715106","16.3251","0.0009","15.086","0.0008","23.0509","0.0014","90","","90","","90","","5677","0.6","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H25 Cd N5 O5 -","- C35 H25 Cd N5 O5 -","- C280 H200 Cd8 N40 O40 -","8","1","","Li, Jiahao; Mao, Anruo; Hu, Xinyu; Wang, Likui; Wang, Dawei; Duan, Zheng-Chao","Preparation of a novel cadmium-containing coordination polymer and catalytic application in the synthesis of <i>N</i>-alkylated aminoquinoline derivatives <i>via</i> the borrowing hydrogen approach.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5064","5072","10.1039/d3dt04221a","","","0.71076","MoKα","","0.0388","0.028","","","0.0671","0.0743","","","","","","1.021","","","","has coordinates,has disorder","290963","2024-04-04","23:31:15",""
"7715107","16.5187","0.0002","18.7439","0.0003","22.3271","0.0003","105.157","0.001","108.143","0.001","94.975","0.001","6233.35","0.16","100.1","0.5","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C55.25 H57 F18 Ir N10 O1.25 P3 -","- C54 H52 F18 Ir N10 P3 -","- C216 H208 F72 Ir4 N40 P12 -","4","2","","Knighton, Richard C.; Pope, Simon J. A.","Synthesis and luminescent properties of hetero-bimetallic and hetero-trimetallic Ru(II)/Au(I) or Ir(III)/Au(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4165","4174","10.1039/d3dt03690a","","x-ray","0.71073","MoKα","","0.0847","0.0525","","","0.12","0.1317","","","","","","1.041","","","","has coordinates","290209","2024-03-04","20:24:50",""
"7715108","8.6524","0.0004","12.6306","0.0008","16.5547","0.001","77.983","0.006","78.821","0.005","85.964","0.005","1735.11","0.18","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H36 B F4 Ir N6 -","- C38 H36 B F4 Ir N6 -","- C76 H72 B2 F8 Ir2 N12 -","2","1","","Knighton, Richard C.; Pope, Simon J. A.","Synthesis and luminescent properties of hetero-bimetallic and hetero-trimetallic Ru(II)/Au(I) or Ir(III)/Au(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4165","4174","10.1039/d3dt03690a","","x-ray","1.54178","CuKα","","0.1124","0.0751","","","0.1837","0.2048","","","","","","1.072","","","","has coordinates","290209","2024-03-04","20:24:50",""
"7715109","13.501","0.0003","21.597","0.0004","20.688","0.0005","90","","98.515","0.002","90","","5965.7","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H45 Au F18 N8 P4 Ru -","- C53 H45 Au F18 N8 P4 Ru -","- C212 H180 Au4 F72 N32 P16 Ru4 -","4","1","","Knighton, Richard C.; Pope, Simon J. A.","Synthesis and luminescent properties of hetero-bimetallic and hetero-trimetallic Ru(II)/Au(I) or Ir(III)/Au(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4165","4174","10.1039/d3dt03690a","","x-ray","0.71073","MoKα","","0.0738","0.0373","","","0.0735","0.0874","","","","","","1.041","","","","has coordinates,has disorder","290209","2024-03-04","20:24:50",""
"7715110","31.093","0.002","31.093","0.002","44.345","0.003","90","","90","","90","","42872","5","298","2","298","2","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C217 H242 Cl74 Eu4 F36 N60 O48 S12 -","- C172 H168 Eu4 F12 N60 O24 S4 -","- C688 H672 Eu16 F48 N240 O96 S16 -","4","0.5","","Guo, Xiao-Qing; Zhou, Li-Peng; Hu, Shao-Jun; Sun, Qing-Fu","Subtle adjustments for constructing multi-nuclear luminescent lanthanide organic polyhedra with triazole-based chelates","Dalton Transactions","2024","53","10","4772","4780","10.1039/D3DT03791F","","","0.71073","MoKα","","0.128","0.0797","","","0.222","0.2694","","","","","","0.999","","","","has coordinates","290920","2024-04-04","23:19:57",""
"7715111","14.336","0.003","22.784","0.005","34.552","0.006","90","","100.957","0.005","90","","11080","4","273","2","273","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C190 H151 Cl20 Eu2 F6 N30 O24 S6 -","- C174 H131 Eu2 N30 O6 -","- C348 H262 Eu4 N60 O12 -","2","1","","Guo, Xiao-Qing; Zhou, Li-Peng; Hu, Shao-Jun; Sun, Qing-Fu","Subtle adjustments for constructing multi-nuclear luminescent lanthanide organic polyhedra with triazole-based chelates","Dalton Transactions","2024","53","10","4772","4780","10.1039/D3DT03791F","","","0.71073","MoKα","","0.1139","0.0884","","","0.2423","0.262","","","","","","1.009","","","","has coordinates","290920","2024-04-04","23:19:58",""
"7715112","21.6885","0.0009","51.788","0.002","42.6164","0.0018","90","","90","","90","","47867","3","273","2","273","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C316 H272 Cl56 Eu4 F36 N60 O48 S12 -","- C276 H216 Eu4 N60 O12 -","- C1104 H864 Eu16 N240 O48 -","4","0.5","","Guo, Xiao-Qing; Zhou, Li-Peng; Hu, Shao-Jun; Sun, Qing-Fu","Subtle adjustments for constructing multi-nuclear luminescent lanthanide organic polyhedra with triazole-based chelates","Dalton Transactions","2024","53","10","4772","4780","10.1039/D3DT03791F","","","0.62298","Synchrotron","","0.0875","0.0679","","","0.1911","0.2044","","","","","","1.021","","","","has coordinates","290920","2024-04-04","23:19:58",""
"7715113","109.88","0.02","21.34","0.004","42.92","0.009","90","","108.98","0.03","90","","95169","4","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C228.88 H217.75 Cl25.75 Eu4 F36 N60 O48 S12 -","- C205 H192 Eu4 F3 N60 O15 S -","- C1640 H1536 Eu32 F24 N480 O120 S8 -","8","1","","Guo, Xiao-Qing; Zhou, Li-Peng; Hu, Shao-Jun; Sun, Qing-Fu","Subtle adjustments for constructing multi-nuclear luminescent lanthanide organic polyhedra with triazole-based chelates","Dalton Transactions","2024","53","10","4772","4780","10.1039/D3DT03791F","","","0.62298","synchrotron","","0.1282","0.0802","","","0.2431","0.2879","","","","","","1.006","","","","has coordinates","290920","2024-04-04","23:19:58",""
"7715114","32.5846","0.0004","32.5846","0.0004","34.4461","0.0006","90","","90","","120","","31673.5","0.8","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","La18","","- C356 H549 Cl7 La18 N30 O83 -","- C320 H420 Cl7 La18 N18 O71 -","- C640 H840 Cl14 La36 N36 O142 -","2","0.166667","","Jiao, Yushu; Sanz, Sergio; van Leusen, Jan; Gracia, David; Canaj, Angelos B.; Evangelisti, Marco; Brechin, Euan K.; Dalgarno, Scott J.; Kögerler, Paul","Tandem templating strategies facilitate the assembly of calix[8]arene-supported Ln<sub>18</sub> clusters.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4624","4630","10.1039/d4dt00280f","","","1.54178","CuKα","","0.1262","0.0832","","","0.2445","0.3071","","","","","","0.999","","","","has coordinates,has disorder","290916","2024-04-04","23:17:52",""
"7715115","5.1416","0.0006","25.327","0.003","21.599","0.003","90","","90","","90","","2812.6","0.6","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C15 H14 Mn0.5 O5 P -","- C15 H14 Mn0.5 O5 P -","- C120 H112 Mn4 O40 P8 -","8","1","","Zhang, Xu; Zhang, Yana; Li, Xin; Yu, Jiahui; Chi, Weijia; Wang, Zikang; Zheng, Hanwen; Sun, Zhengang; Zhu, Yanyu; Jiao, Chengqi","A stable Mn(II) coordination polymer demonstrating proton conductivity and quantitative sensing of oxytetracycline in aquaculture.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5034","5042","10.1039/d3dt03882c","","","1.54178","CuKα","","0.0811","0.0617","","","0.1473","0.1597","","","","","","1.069","","","","has coordinates","290970","2024-04-04","23:33:01",""
"7715116","10.259","0.0008","9.6405","0.0007","15.8896","0.0012","90","","105.385","0.002","90","","1515.2","0.2","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C18 H36 Li2 N12 Nb Ni O6 -","- C18 H36 Li2 N12 Nb Ni O6 -","- C36 H72 Li4 N24 Nb2 Ni2 O12 -","2","0.5","","Heczko, Michał; Nowicka, Beata","Switching of magnetic properties by topotactic reaction in a 1D CN-bridged Ni(II)-Nb(IV) system.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5788","5795","10.1039/d3dt03891b","","","0.71073","MoKα","","0.0322","0.0293","","","0.0569","0.0578","","","","","","1.205","","","","has coordinates","290945","2024-04-04","23:27:48",""
"7715117","12.2706","0.0004","14.4329","0.0005","14.611","0.0005","90","","94.782","0.001","90","","2578.61","0.15","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H28 Li2 N12 Nb Ni O2 -","- C18 H28 Li2 N12 Nb Ni O2 -","- C72 H112 Li8 N48 Nb4 Ni4 O8 -","4","0.5","","Heczko, Michał; Nowicka, Beata","Switching of magnetic properties by topotactic reaction in a 1D CN-bridged Ni(II)-Nb(IV) system.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5788","5795","10.1039/d3dt03891b","","","0.71073","MoKα","","0.0259","0.023","","","0.0468","0.0476","","","","","","1.149","","","","has coordinates","290945","2024-04-04","23:27:48",""
"7715118","11.7971","0.0005","13.9098","0.0007","16.1086","0.0007","65.09","0.002","82","0.002","74.102","0.002","2304.88","0.19","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C94 H106 Cl2 Dy2 N8 O8 P2 -","- C94 H106 Cl2 Dy2 N8 O8 P2 -","- C94 H106 Cl2 Dy2 N8 O8 P2 -","1","0.5","","Yao, Min-Xia; Gao, Yu-Qi; An, Zhong-Wu; Zhu, Dong-Mei","The effect of magnetic coupling along the magnetic axis on slow magnetic relaxation in Dy<sup>III</sup> complexes with <i>D</i><sub>5h</sub> configuration based on an aggregation-induced-emission-active ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5133","5146","10.1039/d3dt04257j","","","0.71073","MoKα","","0.0682","0.0554","","","0.1535","0.1643","","","","","","1.086","","","","has coordinates,has disorder","290962","2024-04-04","23:31:06",""
"7715119","11.2499","0.0016","18.894","0.002","36.404","0.005","83.682","0.004","84.689","0.005","78.406","0.005","7514.2","1.7","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C169 H131 Cl4 Dy4 N12 O12 P2 -","- C169 H131 Cl4 Dy4 N12 O12 P2 -","- C338 H262 Cl8 Dy8 N24 O24 P4 -","2","1","","Yao, Min-Xia; Gao, Yu-Qi; An, Zhong-Wu; Zhu, Dong-Mei","The effect of magnetic coupling along the magnetic axis on slow magnetic relaxation in Dy<sup>III</sup> complexes with <i>D</i><sub>5h</sub> configuration based on an aggregation-induced-emission-active ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5133","5146","10.1039/d3dt04257j","","","0.71073","MoKα","","0.0916","0.0548","","","0.0876","0.0947","","","","","","1.062","","","","has coordinates,has disorder","290962","2024-04-04","23:31:06",""
"7715120","24.0573","0.0008","36.8217","0.0013","10.7953","0.0004","90","","90","","90","","9562.8","0.6","193","","193","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C98 H102 Cl2 Dy2 N12 O12 P2 -","- C98 H102 Cl2 Dy2 N12 O12 P2 -","- C392 H408 Cl8 Dy8 N48 O48 P8 -","4","0.5","","Yao, Min-Xia; Gao, Yu-Qi; An, Zhong-Wu; Zhu, Dong-Mei","The effect of magnetic coupling along the magnetic axis on slow magnetic relaxation in Dy<sup>III</sup> complexes with <i>D</i><sub>5h</sub> configuration based on an aggregation-induced-emission-active ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5133","5146","10.1039/d3dt04257j","","","0.71073","MoKα","","0.0844","0.051","","","0.0936","0.1103","","","","","","1.087","","","","has coordinates,has disorder","290962","2024-04-04","23:31:06",""
"7715121","11.114","0.0006","15.1554","0.0009","15.9704","0.0009","64.553","0.002","85.699","0.002","77.051","0.002","2366.6","0.2","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C102 H112 Cl2 Dy2 N6 O6 P2 -","- C102 H112 Cl2 Dy2 N6 O6 P2 -","- C102 H112 Cl2 Dy2 N6 O6 P2 -","1","0.5","","Yao, Min-Xia; Gao, Yu-Qi; An, Zhong-Wu; Zhu, Dong-Mei","The effect of magnetic coupling along the magnetic axis on slow magnetic relaxation in Dy<sup>III</sup> complexes with <i>D</i><sub>5h</sub> configuration based on an aggregation-induced-emission-active ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5133","5146","10.1039/d3dt04257j","","","0.71073","MoKα","","0.1075","0.0876","","","0.2399","0.259","","","","","","1.116","","","","has coordinates,has disorder","290962","2024-04-04","23:31:06",""
"7715122","12.1506","0.0003","10.3478","0.0003","33.4047","0.0008","90","","98.199","0.001","90","","4157.11","0.19","193","","193","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H38 Cl Dy N4 O3 P -","- C47 H38 Cl Dy N4 O3 P -","- C188 H152 Cl4 Dy4 N16 O12 P4 -","4","1","","Yao, Min-Xia; Gao, Yu-Qi; An, Zhong-Wu; Zhu, Dong-Mei","The effect of magnetic coupling along the magnetic axis on slow magnetic relaxation in Dy<sup>III</sup> complexes with <i>D</i><sub>5h</sub> configuration based on an aggregation-induced-emission-active ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5133","5146","10.1039/d3dt04257j","","","1.54178","CuKα","","0.0443","0.0371","","","0.0973","0.1015","","","","","","1.059","","","","has coordinates,has disorder","290962","2024-04-04","23:31:06",""
"7715123","12.7292","0.0005","14.5532","0.0005","23.7256","0.0008","90","","98.071","0.003","90","","4351.6","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H58 Cu F6 N3 P3 -","- C43 H61 Cu F6 N3 P3 -","- C172 H244 Cu4 F24 N12 P12 -","4","1","","Olding, Angus; Lucas, Nigel T.; Ho, Curtis C.; Bissember, Alex C.","Acridine-based copper(I) PNP pincer complexes: catalysts for alkyne hydroboration and borylation of aryl halides.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4471","4478","10.1039/d3dt04269c","","x-ray","1.54184","CuKα","","0.1025","0.0812","","","0.2382","0.2603","","","","","","1.051","","","","has coordinates","290911","2024-04-04","23:16:33",""
"7715124","13.3304","0.0002","15.2927","0.0002","21.3111","0.0003","90","","92.884","0.001","90","","4338.93","0.11","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H71 N P2 -","- C55 H71 N P2 -","- C220 H284 N4 P8 -","4","1","","Olding, Angus; Lucas, Nigel T.; Ho, Curtis C.; Bissember, Alex C.","Acridine-based copper(I) PNP pincer complexes: catalysts for alkyne hydroboration and borylation of aryl halides.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4471","4478","10.1039/d3dt04269c","","x-ray","1.54184","CuKα","","0.0462","0.0397","","","0.1041","0.1107","","","","","","1.039","","","","has coordinates","290911","2024-04-04","23:16:34",""
"7715125","11.5689","0.0002","17.0435","0.0003","16.8894","0.0002","90","","92.116","0.001","90","","3327.89","0.09","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H55 N P2 -","- C39 H55 N P2 -","- C156 H220 N4 P8 -","4","1","","Olding, Angus; Lucas, Nigel T.; Ho, Curtis C.; Bissember, Alex C.","Acridine-based copper(I) PNP pincer complexes: catalysts for alkyne hydroboration and borylation of aryl halides.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4471","4478","10.1039/d3dt04269c","","x-ray","1.54184","CuKα","","0.0429","0.0376","","","0.1025","0.1073","","","","","","1.039","","","","has coordinates","290911","2024-04-04","23:16:35",""
"7715126","13.3304","0.0002","15.2927","0.0002","21.3111","0.0003","90","","92.884","0.001","90","","4338.93","0.11","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H71 N P2 -","- C55 H71 N P2 -","- C220 H284 N4 P8 -","4","1","","Olding, Angus; Lucas, Nigel T.; Ho, Curtis C.; Bissember, Alex C.","Acridine-based copper(I) PNP pincer complexes: catalysts for alkyne hydroboration and borylation of aryl halides.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4471","4478","10.1039/d3dt04269c","","x-ray","1.54184","CuKα","","0.0462","0.0397","","","0.1041","0.1107","","","","","","1.039","","","","has coordinates","290911","2024-04-04","23:16:35",""
"7715127","11.0847","0.0001","31.6404","0.0004","22.2392","0.0003","90","","92.296","0.001","90","","7793.57","0.16","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78.97 H112 Br2 Cl2 Cu2 N2 P4 -","- C78.976 H112 Br2 Cl2 Cu2 N2 P4 -","- C315.904 H448 Br8 Cl8 Cu8 N8 P16 -","4","1","","Olding, Angus; Lucas, Nigel T.; Ho, Curtis C.; Bissember, Alex C.","Acridine-based copper(I) PNP pincer complexes: catalysts for alkyne hydroboration and borylation of aryl halides.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4471","4478","10.1039/d3dt04269c","","x-ray","1.54184","CuKα","","0.0498","0.0402","","","0.101","0.1084","","","","","","1.024","","","","has coordinates,has disorder","290911","2024-04-04","23:16:35",""
"7715128","23.803","0.005","23.803","0.005","23.803","0.005","90","","90","","90","","13486","5","150","2","150","2","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C64 H108 N4 Na O6 Ti4 -","- C63.9996 H107.999 N4 Na O6 Ti4 -","- C511.997 H863.995 N32 Na8 O48 Ti32 -","8","0.333333","","Caballo, Jorge; Calvo-Molina, Adrián; Claramonte, Sergio; Greño, Maider; Pérez-Redondo, Adrián; Yélamos, Carlos","Studies on the chemical reduction of polynuclear titanium(IV) nitrido complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4844","4855","10.1039/d3dt04241c","","x-ray","0.71073","MoKα","","0.0578","0.0446","","","0.0972","0.1075","","","","","","1.081","","","","has coordinates,has disorder","290921","2024-04-04","23:20:36",""
"7715129","11.6606","0.0008","18.7723","0.0013","20.043","0.002","85.258","0.007","78.968","0.007","81.007","0.008","4247","0.6","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H119 K2 N4 O12 Ti4 -","- C64 H103 K2 N4 O12 Ti4 -","- C128 H206 K4 N8 O24 Ti8 -","2","1","","Caballo, Jorge; Calvo-Molina, Adrián; Claramonte, Sergio; Greño, Maider; Pérez-Redondo, Adrián; Yélamos, Carlos","Studies on the chemical reduction of polynuclear titanium(IV) nitrido complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4844","4855","10.1039/d3dt04241c","","x-ray","0.71073","MoKα","","0.1019","0.0623","","","0.1454","0.1753","","","","","","1.057","","","","has coordinates,has disorder","290921","2024-04-04","23:20:36",""
"7715130","23.739","0.003","33.351","0.003","16.799","0.003","90","","90","","90","","13300","3","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C62 H100 K N6 O6 Si Ti4 -","- C54.5 H88 K0.75 N5.5 O4.5 Si Ti4 -","- C436 H704 K6 N44 O36 Si8 Ti32 -","8","2","","Caballo, Jorge; Calvo-Molina, Adrián; Claramonte, Sergio; Greño, Maider; Pérez-Redondo, Adrián; Yélamos, Carlos","Studies on the chemical reduction of polynuclear titanium(IV) nitrido complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4844","4855","10.1039/d3dt04241c","","x-ray","0.71073","MoKα","","0.0981","0.057","","","0.1057","0.1178","","","","","","1.016","","","","has coordinates,has disorder","290921","2024-04-04","23:20:36",""
"7715131","18.2079","0.0014","12.3893","0.0017","22.664","0.002","90","","102.425","0.006","90","","4992.9","0.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H71 K N4 O6 Ti3 -","- C50 H71 K N4 O6 Ti3 -","- C200 H284 K4 N16 O24 Ti12 -","4","1","","Caballo, Jorge; Calvo-Molina, Adrián; Claramonte, Sergio; Greño, Maider; Pérez-Redondo, Adrián; Yélamos, Carlos","Studies on the chemical reduction of polynuclear titanium(IV) nitrido complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4844","4855","10.1039/d3dt04241c","","x-ray","0.71073","MoKα","","0.1168","0.0553","","","0.1013","0.1295","","","","","","1.097","","","","has coordinates","290921","2024-04-04","23:20:36",""
"7715132","8.7756","0.0005","18.6469","0.001","14.7205","0.0008","90","","97.551","0.002","90","","2387.9","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 F3 Fe2 N O5 S -","- C23 H24 F3 Fe2 N O5 S -","- C92 H96 F12 Fe8 N4 O20 S4 -","4","1","","Bresciani, Giulio; Ciancaleoni, Gianluca; Zacchini, Stefano; Biancalana, Lorenzo; Pampaloni, Guido; Funaioli, Tiziana; Marchetti, Fabio","Mixed valence triiron complexes from the conjugation of [Fe<sup>I</sup>Fe<sup>I</sup>] and [Fe<sup>II</sup>] complexes <i>via</i> intermolecular carbyne/alkyne coupling.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4299","4313","10.1039/d4dt00079j","","","0.71073","MoKα","","0.0695","0.0629","","","0.1423","0.145","","","","","","1.229","","","","has coordinates","290206","2024-03-04","20:24:10",""
"7715133","8.0498","0.0013","15.316","0.003","13.65","0.002","90","","100.963","0.01","90","","1652.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 Fe N O2 -","- C20 H17 Fe N O2 -","- C80 H68 Fe4 N4 O8 -","4","1","","Bresciani, Giulio; Ciancaleoni, Gianluca; Zacchini, Stefano; Biancalana, Lorenzo; Pampaloni, Guido; Funaioli, Tiziana; Marchetti, Fabio","Mixed valence triiron complexes from the conjugation of [Fe<sup>I</sup>Fe<sup>I</sup>] and [Fe<sup>II</sup>] complexes <i>via</i> intermolecular carbyne/alkyne coupling.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4299","4313","10.1039/d4dt00079j","","","0.71073","MoKα","","0.033","0.031","","","0.0753","0.0764","","","","","","1.103","","","","has coordinates","290206","2024-03-04","20:24:11",""
"7715134","10.2243","0.0006","10.7673","0.0007","11.6235","0.0007","117.383","0.006","95.964","0.005","102.135","0.005","1080.78","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H17 Cd Cl2 N4 O5 -","- C21 H17 Cd Cl2 N4 O5 -","- C42 H34 Cd2 Cl4 N8 O10 -","2","1","","Fan, Xiao-Fei; Fu, Lianshe; Cui, Guang-Hua","Three robust Cd(II) coordination polymers as bifunctional luminescent probes for efficient detection of pefloxacin and Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> in water.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5051","5063","10.1039/d4dt00128a","","x-ray","0.71073","MoKα","","0.046","0.0381","","","0.0976","0.1028","","","","","","1.059","","","","has coordinates","290959","2024-04-04","23:30:29",""
"7715135","11.2375","0.0005","11.322","0.0005","11.3767","0.0003","74.967","0.003","75.011","0.003","67.57","0.004","1271.34","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H15 Br4 Cd N4 O5 -","- C21 H15 Br4 Cd N4 O5 -","- C42 H30 Br8 Cd2 N8 O10 -","2","1","","Fan, Xiao-Fei; Fu, Lianshe; Cui, Guang-Hua","Three robust Cd(II) coordination polymers as bifunctional luminescent probes for efficient detection of pefloxacin and Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> in water.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5051","5063","10.1039/d4dt00128a","","x-ray","0.71073","MoKα","","0.087","0.0548","","","0.0866","0.0953","","","","","","1.048","","","","has coordinates","290959","2024-04-04","23:30:30",""
"7715136","10.4997","0.0007","11.0392","0.001","12.3432","0.0009","75.039","0.007","77.438","0.006","73.334","0.007","1308.12","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 Cd N5 O7 -","- C21 H19 Cd N5 O7 -","- C42 H38 Cd2 N10 O14 -","2","1","","Fan, Xiao-Fei; Fu, Lianshe; Cui, Guang-Hua","Three robust Cd(II) coordination polymers as bifunctional luminescent probes for efficient detection of pefloxacin and Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> in water.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5051","5063","10.1039/d4dt00128a","","x-ray","0.71073","MoKα","","0.0436","0.0392","","","0.1079","0.1107","","","","","","1.054","","","","has coordinates","290959","2024-04-04","23:30:30",""
"7715137","9.4237","0.0011","11.6946","0.0013","16.103","0.0017","82.624","0.005","83.013","0.005","68.067","0.004","1627.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H23 Cd N7 O4 S -","- C39 H23 Cd N7 O4 S -","- C78 H46 Cd2 N14 O8 S2 -","2","1","","Lu, Na; Wang, Li; Zheng, Teng-Fei; Peng, Yan; Liu, Sui-Jun; Wen, He-Rui","A dinuclear Cd<sup>II</sup> cluster-based stable luminescent metal-organic framework for the consecutive and visual detection of H<sub>2</sub>PO<sub>4</sub><sup>-</sup> and OCN<sup/>.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5160","5166","10.1039/d3dt03523a","","","0.71073","MoKα","","0.1718","0.1042","","","0.0924","0.1051","","","","","","1.088","","","","has coordinates","290965","2024-04-04","23:31:33",""
"7715138","15.257","0.0001","21.1082","0.0001","8.587","0.0001","90","","90","","90","","2765.42","0.04","150","0.1","150","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C29 H43 Cu N2 -","- C29 H43 Cu N2 -","- C116 H172 Cu4 N8 -","4","0.5","","Babula, Dawid J.; Charman, Rex S. C.; Hobson, Josie A.; Mahon, Mary F.; Liptrot, David J.","Dial-a-base mechanochemical synthesis of N-heterocyclic carbene copper complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","3990","3993","10.1039/d4dt00334a","","x-ray","1.54184","CuKα","","0.0288","0.0274","","","0.0754","0.0764","","","","","","1.068","","","","has coordinates,has disorder","290208","2024-03-04","20:24:36",""
"7715139","10.9361","0.0006","15.291","0.0006","18.7521","0.0008","90","","100.92","0.004","90","","3079","0.2","149.9","0.6","149.9","0.6","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H49 Cu N2 -","- C32 H49 Cu N2 -","- C128 H196 Cu4 N8 -","4","1","","Babula, Dawid J.; Charman, Rex S. C.; Hobson, Josie A.; Mahon, Mary F.; Liptrot, David J.","Dial-a-base mechanochemical synthesis of N-heterocyclic carbene copper complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","3990","3993","10.1039/d4dt00334a","","x-ray","0.71073","MoKα","","0.07","0.0438","","","0.1025","0.1158","","","","","","1.022","","","","has coordinates,has disorder","290208","2024-03-04","20:24:36",""
"7715140","27.8759","0.0004","27.8759","0.0004","22.0267","0.0004","90","","90","","120","","14823.1","0.4","150","0.1","150","0.1","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C35.25 H48 Cu N2 -","- C34 H45 Cu N2 -","- C612 H810 Cu18 N36 -","18","0.5","","Babula, Dawid J.; Charman, Rex S. C.; Hobson, Josie A.; Mahon, Mary F.; Liptrot, David J.","Dial-a-base mechanochemical synthesis of N-heterocyclic carbene copper complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","3990","3993","10.1039/d4dt00334a","","x-ray","1.54184","CuKα","","0.0588","0.0479","","","0.1334","0.1422","","","","","","1.036","","","","has coordinates,has disorder","290208","2024-03-04","20:24:36",""
"7715141","10.884","0.0001","16.2724","0.0001","17.2809","0.0001","90","","90","","90","","3060.6","0.04","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H49 Cu N2 -","- C32 H49 Cu N2 -","- C128 H196 Cu4 N8 -","4","1","","Babula, Dawid J.; Charman, Rex S. C.; Hobson, Josie A.; Mahon, Mary F.; Liptrot, David J.","Dial-a-base mechanochemical synthesis of N-heterocyclic carbene copper complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","3990","3993","10.1039/d4dt00334a","","x-ray","1.54184","CuKα","","0.0243","0.0234","","","0.0636","0.0643","","","","","","1.063","","","","has coordinates","290208","2024-03-04","20:24:36",""
"7715142","11.7684","0.0015","11.888","0.0014","15.8291","0.0018","76.22","0.004","74.385","0.004","85.943","0.005","2071.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 F24 O12 Pb2 -","- C28 H24 F24 O12 Pb2 -","- C56 H48 F48 O24 Pb4 -","2","1","","Sirna, Lorenzo; Pellegrino, Anna Lucia; Sciacca, Salvatore Pio; Lippi, Martina; Rossi, Patrizia; Bonaccorso, Carmela; Bengasi, Giuseppe; Foti, Marina; Malandrino, Graziella","Highly stable CsPbBr3 perovskite phases from new lead β-diketonate glyme adducts","Dalton Transactions","2024","53","12","5360","5372","10.1039/D3DT03989G","","","0.71073","MoKα","","0.0695","0.0409","","","0.0812","0.0942","","","","","","1.017","","","","has coordinates,has disorder","290989","2024-04-04","23:39:45",""
"7715143","19.4816","0.0005","16.7761","0.0004","25.2397","0.0006","90","","96.189","0.002","90","","8200.9","0.3","150","0.2","150","0.2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C108 H78 Li6 O6 -","- C108 H78 Li6 O6 -","- C432 H312 Li24 O24 -","4","1","","Davison, Nathan; Hemingway, Jack M.; Waddell, Paul G.; Lu, Erli","Lithium, sodium and potassium enolate aggregates and monomers: syntheses and structures.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4719","4728","10.1039/d4dt00211c","","x-ray","1.54184","CuKα","","0.0523","0.0466","","","0.1286","0.1366","","","","","","1.055","","","","has coordinates","290923","2024-04-04","23:21:09",""
"7715144","12.4692","0.0002","17.6687","0.0004","13.5637","0.0002","90","","95.153","0.002","90","","2976.2","0.09","150","0.2","150","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H90 Li2 N8 O2 -","- C63 H90 Li2 N8 O2 -","- C126 H180 Li4 N16 O4 -","2","0.5","","Davison, Nathan; Hemingway, Jack M.; Waddell, Paul G.; Lu, Erli","Lithium, sodium and potassium enolate aggregates and monomers: syntheses and structures.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4719","4728","10.1039/d4dt00211c","","x-ray","1.54184","CuKα","","0.0502","0.0402","","","0.1042","0.1107","","","","","","1.05","","","","has coordinates,has disorder","290923","2024-04-04","23:21:09",""
"7715145","12.3035","0.0003","13.3928","0.0003","17.4184","0.0004","81.86","0.002","85.94","0.002","63.004","0.002","2531.6","0.11","150","0.2","150","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H17 Na O -","- C22 H17 Na O -","- C132 H102 Na6 O6 -","6","3","","Davison, Nathan; Hemingway, Jack M.; Waddell, Paul G.; Lu, Erli","Lithium, sodium and potassium enolate aggregates and monomers: syntheses and structures.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4719","4728","10.1039/d4dt00211c","","x-ray","1.54184","CuKα","","0.0508","0.0424","","","0.1149","0.1204","","","","","","1.071","","","","has coordinates","290923","2024-04-04","23:21:09",""
"7715146","11.3331","0.0005","12.8913","0.0005","19.8712","0.0009","90","","103.504","0.004","90","","2822.9","0.2","150","0.2","150","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H41 N4 Na O -","- C28 H41 N4 Na O -","- C112 H164 N16 Na4 O4 -","4","1","","Davison, Nathan; Hemingway, Jack M.; Waddell, Paul G.; Lu, Erli","Lithium, sodium and potassium enolate aggregates and monomers: syntheses and structures.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4719","4728","10.1039/d4dt00211c","","x-ray","1.54184","CuKα","","0.0777","0.065","","","0.174","0.1829","","","","","","1.043","","","","has coordinates","290923","2024-04-04","23:21:09",""
"7715147","20.2465","0.0004","24.7118","0.0004","28.626","0.0005","90","","90","","90","","14322.4","0.4","150","0.2","150","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C164.9 H125.79 K8 O8 -","- C164.898 H125.796 K8 O8 -","- C659.592 H503.184 K32 O32 -","4","0.5","","Davison, Nathan; Hemingway, Jack M.; Waddell, Paul G.; Lu, Erli","Lithium, sodium and potassium enolate aggregates and monomers: syntheses and structures.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4719","4728","10.1039/d4dt00211c","","x-ray","1.54184","CuKα","","0.0645","0.0555","","","0.163","0.1697","","","","","","1.039","","","","has coordinates,has disorder","290923","2024-04-04","23:21:09",""
"7715148","9.0486","0.0004","9.7472","0.0007","20.1531","0.0011","90","","93.009","0.004","90","","1775.02","0.18","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 Cl2 N2 O4 Ru2 -","- C36 H42 Cl2 N2 O4 Ru2 -","- C72 H84 Cl4 N4 O8 Ru4 -","2","0.5","","Abirami, Arunachalam; Devan, Umapathy; Ramesh, Rengan; Antony Joseph Velanganni, Arockiam; Małecki, Jan Grzegorz","Exploring the cytotoxicity of dinuclear Ru(II) <i>p</i>-cymene complexes appended <i>N</i>,<i>N</i>'-bis(4-substituted benzoyl)hydrazines: insights into the mechanism of apoptotic cell death.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5167","5179","10.1039/d3dt04234k","","x-ray","0.71073","MoKα","","0.0861","0.044","","","0.0919","0.1105","","","","","","1.062","","","","has coordinates","290956","2024-04-04","23:30:01",""
"7715149","9.2655","0.0005","9.9605","0.0007","18.2413","0.0011","90","","96.945","0.005","90","","1671.12","0.18","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 Cl2 N2 O2 Ru2 -","- C34 H38 Cl2 N2 O2 Ru2 -","- C68 H76 Cl4 N4 O4 Ru4 -","2","0.5","","Abirami, Arunachalam; Devan, Umapathy; Ramesh, Rengan; Antony Joseph Velanganni, Arockiam; Małecki, Jan Grzegorz","Exploring the cytotoxicity of dinuclear Ru(II) <i>p</i>-cymene complexes appended <i>N</i>,<i>N</i>'-bis(4-substituted benzoyl)hydrazines: insights into the mechanism of apoptotic cell death.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5167","5179","10.1039/d3dt04234k","","x-ray","0.71073","MoKα","","0.0621","0.0405","","","0.0814","0.0943","","","","","","1.086","","","","has coordinates,has disorder","290956","2024-04-04","23:30:07",""
"7715150","18.5673","0.0004","14.9013","0.0003","16.1628","0.0003","90","","104.196","0.002","90","","4335.31","0.16","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45.5 H40 Cl2 Co N6 O11.5 -","- C45.5 H40 Cl2 Co N6 O11.5 -","- C182 H160 Cl8 Co4 N24 O46 -","4","1","","Zenno, Hikaru; Sekine, Yoshihiro; Zhang, Zhongyue; Hayami, Shinya","Solvation/desolvation induced reversible distortion change and switching between spin crossover and single molecular magnet behaviour in a cobalt(II) complex.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5861","5870","10.1039/d3dt03936f","","","0.71073","MoKα","","0.0568","0.0433","","","0.1163","0.1225","","","","","","1.023","","","","has coordinates,has disorder","290940","2024-04-04","23:26:43",""
"7715151","18.8486","0.0009","15.2034","0.0007","16.2749","0.0008","90","","104.515","0.005","90","","4514.9","0.4","273","","273","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45.5 H40 Cl2 Co N6 O11.5 -","- C45.5 H40 Cl2 Co N6 O11.5 -","- C182 H160 Cl8 Co4 N24 O46 -","4","1","","Zenno, Hikaru; Sekine, Yoshihiro; Zhang, Zhongyue; Hayami, Shinya","Solvation/desolvation induced reversible distortion change and switching between spin crossover and single molecular magnet behaviour in a cobalt(II) complex.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5861","5870","10.1039/d3dt03936f","","x-ray","0.71073","MoKα","","0.1218","0.0611","","","0.1469","0.1678","","","","","","1.029","","","","has coordinates,has disorder","290940","2024-04-04","23:26:44",""
"7715152","17.9066","0.001","15.2903","0.0005","16.1139","0.0007","90","","112.673","0.006","90","","4071","0.4","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H34 Cl2 Co N6 O10 -","- C44 H34 Cl2 Co N6 O10 -","- C176 H136 Cl8 Co4 N24 O40 -","4","1","","Zenno, Hikaru; Sekine, Yoshihiro; Zhang, Zhongyue; Hayami, Shinya","Solvation/desolvation induced reversible distortion change and switching between spin crossover and single molecular magnet behaviour in a cobalt(II) complex.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5861","5870","10.1039/d3dt03936f","","x-ray","0.71073","MoKα","","0.0961","0.0578","","","0.1284","0.1435","","","","","","1.025","","","","has coordinates","290940","2024-04-04","23:26:44",""
"7715153","17.9555","0.0015","15.5934","0.0011","16.1013","0.0013","90","","110.289","0.009","90","","4228.5","0.6","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H34 Cl2 Co N6 O10 -","- C44 H34 Cl2 Co N6 O10 -","- C176 H136 Cl8 Co4 N24 O40 -","4","1","","Zenno, Hikaru; Sekine, Yoshihiro; Zhang, Zhongyue; Hayami, Shinya","Solvation/desolvation induced reversible distortion change and switching between spin crossover and single molecular magnet behaviour in a cobalt(II) complex.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5861","5870","10.1039/d3dt03936f","","x-ray","0.71073","MoKα","","0.1723","0.0849","","","0.2106","0.254","","","","","","1.016","","","","has coordinates","290940","2024-04-04","23:26:44",""
"7715154","14.0458","0.0007","15.2331","0.0008","19.6481","0.001","90","","91.204","0.002","90","","4203","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C83.2 H136.4 Br0.1 Mg0.95 N7.8 Ni2 O3.8 -","- C83.2 H136.4 Br0.1 Mg0.95 N7.8 Ni2 O3.8 -","- C166.4 H272.8 Br0.2 Mg1.9 N15.6 Ni4 O7.6 -","2","0.5","","Knoell, Theresa; Polanco, Jocelyn; MacMillan, Samantha N.; Bertke, Jeffery A.; Foroutan-Nejad, Cina; Lancaster, Kyle M.; 'Gus' Bakhoda, Abolghasem","Alkaline earth metal-assisted dinitrogen activation at nickel.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4689","4697","10.1039/d3dt03984f","","","0.71073","MoKα","","0.0523","0.0457","","","0.1149","0.1182","","","","","","1.062","","","","has coordinates,has disorder","290914","2024-04-04","23:17:27",""
"7715155","14.0658","0.0011","15.3664","0.0013","19.8258","0.0017","90","","91.419","0.003","90","","4283.8","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H138 Ca N8 Ni2 O4 -","- C84 H138 Ca N8 Ni2 O4 -","- C168 H276 Ca2 N16 Ni4 O8 -","2","0.5","","Knoell, Theresa; Polanco, Jocelyn; MacMillan, Samantha N.; Bertke, Jeffery A.; Foroutan-Nejad, Cina; Lancaster, Kyle M.; 'Gus' Bakhoda, Abolghasem","Alkaline earth metal-assisted dinitrogen activation at nickel.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4689","4697","10.1039/d3dt03984f","","","0.71073","MoKα","","0.0683","0.0513","","","0.1221","0.1329","","","","","","1.035","","","","has coordinates,has disorder","290914","2024-04-04","23:17:27",""
"7715156","24.258","0.005","14.863","0.003","18.414","0.004","90","","90","","90","","6639","2","100","0.2","100","0.2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C27 H92 Cl6 N12 O40 Zn6 -","- C24 H66 Cl6 N12 O30 Zn6 -","- C96 H264 Cl24 N48 O120 Zn24 -","4","0.5","","Keypour, Hassan; Zeynali, Hamid; Fatemikia, Hojatollah; Ranjbar, Nika; Karamian, Roya; Rezaei, Mohammad Taher; Gable, Robert William","Anticancer, antioxidant, and antimicrobial studies and molecular docking of a new hexanuclear Zn(II) complex, together with its X-ray crystal analysis.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4512","4525","10.1039/d3dt03327a","","","0.71076","Synchrotron","","0.0753","0.0663","","","0.2093","0.2203","","","","","","1.098","","","","has coordinates,has disorder","290925","2024-04-04","23:21:37",""
"7715157","8.9975","0.0003","12.9898","0.0004","13.9898","0.0005","110.232","0.003","107.742","0.003","91.611","0.003","1444.82","0.09","150","0.1","150","0.1","","","","","","","","6","P 1","P 1","1","","","","- C31 H36 Cl N2 O4 Re -","- C31 H36 Cl N2 O4 Re -","- C62 H72 Cl2 N4 O8 Re2 -","2","2","","Pivarcsik, Tamás; Kiss, Márton A; Rapuš, Uroš; Kljun, Jakob; Spengler, Gabriella; Frank, Éva; Turel, Iztok; Enyedy, Éva A","Organometallic Ru(II), Rh(III) and Re(I) complexes of sterane-based bidentate ligands: synthesis, solution speciation, interaction with biomolecules and anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","4984","5000","10.1039/d3dt04138g","","x-ray","0.71075","MoKα","","0.0416","0.032","","","0.0578","0.0603","","","","","","0.975","","","","has coordinates","290961","2024-04-04","23:30:49",""
"7715158","23.6752","0.0002","13.4747","0.0001","25.0384","0.0003","90","","97.428","0.001","90","","7920.62","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C94 H100 Al2 N5 O3 -","- C94 H100 Al2 N5 O3 -","- C376 H400 Al8 N20 O12 -","4","1","","Koptseva, Tatyana S.; Skatova, Alexandra A.; Moskalev, Mikhail V.; Rumyantcev, Roman V.; Fedushkin, Igor L.","Diversity of transformation of heteroallenes on acenaphthene-1,2-diimine aluminum oxide.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4643","4651","10.1039/d3dt04333a","","","0.71073","MoKα","","0.0936","0.0548","","","0.127","0.1473","","","","","","1.017","","","","has coordinates,has disorder","290913","2024-04-04","23:17:14",""
"7715159","14.8161","0.0004","21.5593","0.0004","14.4379","0.0004","90","","92.943","0.002","90","","4605.7","0.2","100","2","100","2","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C106 H128 Al2 B N5 O5 -","- C106 H128 Al2 B N5 O5 -","- C212 H256 Al4 B2 N10 O10 -","2","0.5","","Koptseva, Tatyana S.; Skatova, Alexandra A.; Moskalev, Mikhail V.; Rumyantcev, Roman V.; Fedushkin, Igor L.","Diversity of transformation of heteroallenes on acenaphthene-1,2-diimine aluminum oxide.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4643","4651","10.1039/d3dt04333a","","","0.71073","MoKα","","0.0841","0.0731","","","0.2028","0.2163","","","","","","1.06","","","","has coordinates,has disorder","290913","2024-04-04","23:17:15",""
"7715160","12.4182","0.0002","12.9986","0.0003","14.7","0.0003","66.956","0.002","69.651","0.002","88.084","0.002","2032.7","0.08","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C90 H117 Al2 B N4 O7 -","- C90 H117 Al2 B N4 O7 -","- C90 H117 Al2 B N4 O7 -","1","0.5","","Koptseva, Tatyana S.; Skatova, Alexandra A.; Moskalev, Mikhail V.; Rumyantcev, Roman V.; Fedushkin, Igor L.","Diversity of transformation of heteroallenes on acenaphthene-1,2-diimine aluminum oxide.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4643","4651","10.1039/d3dt04333a","","","0.71073","MoKα","","0.1199","0.0805","","","0.1944","0.2165","","","","","","1.061","","","","has coordinates,has disorder","290913","2024-04-04","23:17:15",""
"7715161","28.4173","0.0015","12.7221","0.0007","20.6197","0.001","90","","90","","90","","7454.6","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C86 H99 Al2 N5 O3 -","- C86 H99 Al2 N5 O3 -","- C344 H396 Al8 N20 O12 -","4","1","","Koptseva, Tatyana S.; Skatova, Alexandra A.; Moskalev, Mikhail V.; Rumyantcev, Roman V.; Fedushkin, Igor L.","Diversity of transformation of heteroallenes on acenaphthene-1,2-diimine aluminum oxide.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4643","4651","10.1039/d3dt04333a","","","0.71073","MoKα","","0.1217","0.0735","","","0.1384","0.1622","","","","","","1.044","","","","has coordinates,has disorder","290913","2024-04-04","23:17:15",""
"7715162","12.853","0.0012","22.1044","0.0018","13.1216","0.001","90","","92.077","0.007","90","","3725.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H88 Al2 B2 N4 O7 -","- C84 H88 Al2 B2 N4 O7 -","- C168 H176 Al4 B4 N8 O14 -","2","0.5","","Koptseva, Tatyana S.; Skatova, Alexandra A.; Moskalev, Mikhail V.; Rumyantcev, Roman V.; Fedushkin, Igor L.","Diversity of transformation of heteroallenes on acenaphthene-1,2-diimine aluminum oxide.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4643","4651","10.1039/d3dt04333a","","","0.71073","MoKα","","0.1044","0.0605","","","0.1284","0.1512","","","","","","1.015","","","","has coordinates,has disorder","290913","2024-04-04","23:17:16",""
"7715163","12.4538","0.0002","18.3729","0.0003","21.5379","0.0004","81.328","0.002","75.143","0.002","73.658","0.002","4554.49","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C99.38 H134.5 Al2 N6 O2 -","- C99.375 H134.5 Al2 N6 O2 -","- C198.75 H269 Al4 N12 O4 -","2","1","","Koptseva, Tatyana S.; Skatova, Alexandra A.; Moskalev, Mikhail V.; Rumyantcev, Roman V.; Fedushkin, Igor L.","Diversity of transformation of heteroallenes on acenaphthene-1,2-diimine aluminum oxide.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4643","4651","10.1039/d3dt04333a","","","0.71073","MoKα","","0.1448","0.0899","","","0.2647","0.2969","","","","","","1.063","","","","has coordinates,has disorder","290913","2024-04-04","23:17:16",""
"7715164","14.4552","0.0007","14.4552","0.0007","14.8584","0.0009","90","","90","","120","","2688.8","0.2","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C4 H6 Co0.56 Mn0.44 O6 -","- C4 H6 Co0.56 Mn0.44 O6 -","- C72 H108 Co10.08 Mn7.92 O108 -","18","1","","Li, Ya; Wang, Chong-Chen; Wang, Fu-Xue; Liu, Xing-Yuan; Wang, Peng; Wang, Fei; Sun, Mingyi; Yu, Baoyi","Efficient pollutant degradation by peroxymonosulfate activated by a Co/Mn metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5266","5273","10.1039/d4dt00161c","","x-ray","0.71073","MoKα","","0.038","0.0302","","","0.08","0.0831","","","","","","1.077","","","","has coordinates,has disorder","290958","2024-04-04","23:30:22",""
"7715165","13.3806","0.0004","11.9359","0.0004","12.9332","0.0005","90","","90","","90","","2065.55","0.12","192","","192","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H22 Cl2 Cu N4 O8 -","- C16 H22 Cl2 Cu N4 O8 -","- C64 H88 Cl8 Cu4 N16 O32 -","4","0.5","","Wang, Jieying; Ping, Yezi; Chen, Yanmei; Liu, Shanshan; Dong, Jinfeng; Ruan, Zhijun; Liang, Xiangming; Lin, Junqi","Improvement of electrocatalytic water oxidation activity of novel copper complex by modulating the axial coordination of phosphate on metal center.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5222","5229","10.1039/d3dt03409g","","","0.71073","MoKα","","0.0334","0.0287","","","0.0728","0.0761","","","","","","1.039","","","","has coordinates,has disorder","290966","2024-04-04","23:31:41",""
"7715166","13.4467","0.0008","12.0071","0.0009","12.9894","0.001","90","","90","","90","","2097.2","0.3","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H28 Cu N4 O8 P2 -","- C16 H28 Cu N4 O8 P2 -","- C64 H112 Cu4 N16 O32 P8 -","4","0.5","","Wang, Jieying; Ping, Yezi; Chen, Yanmei; Liu, Shanshan; Dong, Jinfeng; Ruan, Zhijun; Liang, Xiangming; Lin, Junqi","Improvement of electrocatalytic water oxidation activity of novel copper complex by modulating the axial coordination of phosphate on metal center.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5222","5229","10.1039/d3dt03409g","","","0.71073","MoKα","","0.0732","0.054","","","0.1486","0.1648","","","","","","1.06","","","","has coordinates,has disorder","290966","2024-04-04","23:31:42",""
"7715167","29.023","0.006","21.827","0.004","33.519","0.007","90","","90.856","0.008","90","","21231","7","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- K Na1.5 Nd6 O144 Sb4 W36 -","- K Na1.5 Nd6 O144 Sb4 W36 -","- K4 Na6 Nd24 O576 Sb16 W144 -","4","2","","Yu, Lan; Ye, Jing; Li, Da-Huan; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","A tetrahedron-shaped polyoxoantimotungstate encapsulating a hexanuclear octahedral lanthanide-oxo cluster for an amperometric bromate sensor.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5258","5265","10.1039/d3dt03789d","","","0.71073","MoKα","","0.0624","0.0502","","","0.1177","0.1231","","","","","","1.012","","","","has coordinates","290960","2024-04-04","23:30:41",""
"7715168","10.977","0.0006","11.9536","0.0007","15.8824","0.001","73.776","0.002","70.816","0.002","86.974","0.002","1888.14","0.19","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H52 Gd4 N10 O28 S3 -","- C78 H52 Gd4 N10 O28 S3 -","- C78 H52 Gd4 N10 O28 S3 -","1","0.5","","Wang, Jin-Jin; Li, Yu; Zheng, Teng-Fei; Peng, Yan; Chen, Jing-Lin; Liu, Sui-Jun; Wen, He-Rui","Reversible single-crystal-to-single-crystal transition in Gd(III) metal-organic frameworks induced by heat and solvents with a significant magnetocaloric effect.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5601","5607","10.1039/d3dt03867j","","","0.71073","MoKα","","0.0618","0.0357","","","0.0646","0.0735","","","","","","1.036","","","","has coordinates,has disorder","290991","2024-04-04","23:40:12",""
"7715169","10.9883","0.0005","12.5025","0.0006","15.4371","0.0006","73.354","0.001","70.616","0.001","86.511","0.001","1915.34","0.15","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H52 Dy4 N10 O28 S3 -","- C78 H52 Dy4 N10 O28 S3 -","- C78 H52 Dy4 N10 O28 S3 -","1","0.5","","Wang, Jin-Jin; Li, Yu; Zheng, Teng-Fei; Peng, Yan; Chen, Jing-Lin; Liu, Sui-Jun; Wen, He-Rui","Reversible single-crystal-to-single-crystal transition in Gd(III) metal-organic frameworks induced by heat and solvents with a significant magnetocaloric effect.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5601","5607","10.1039/d3dt03867j","","","0.71073","MoKα","","0.0358","0.0293","","","0.0685","0.0711","","","","","","1.091","","","","has coordinates,has disorder","290991","2024-04-04","23:40:12",""
"7715170","10.967","0.0006","11.1536","0.0007","15.9824","0.001","73.676","0.002","71.786","0.002","86.984","0.002","1780.84","0.19","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H52 Gd4 N10 O28 S3 -","- C78 H52 Gd4 N10 O28 S3 -","- C78 H52 Gd4 N10 O28 S3 -","1","0.5","","Wang, Jin-Jin; Li, Yu; Zheng, Teng-Fei; Peng, Yan; Chen, Jing-Lin; Liu, Sui-Jun; Wen, He-Rui","Reversible single-crystal-to-single-crystal transition in Gd(III) metal-organic frameworks induced by heat and solvents with a significant magnetocaloric effect.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5601","5607","10.1039/d3dt03867j","","","0.71073","MoKα","","0.0568","0.0343","","","0.0616","0.0691","","","","","","1.025","","","","has coordinates,has disorder","290991","2024-04-04","23:40:12",""
"7715171","10.9183","0.0005","12.0025","0.0006","15.8371","0.0006","73.454","0.001","70.816","0.001","86.911","0.001","1877.18","0.15","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H52 Dy4 N10 O28 S3 -","- C78 H52 Dy4 N10 O28 S3 -","- C78 H52 Dy4 N10 O28 S3 -","1","0.5","","Wang, Jin-Jin; Li, Yu; Zheng, Teng-Fei; Peng, Yan; Chen, Jing-Lin; Liu, Sui-Jun; Wen, He-Rui","Reversible single-crystal-to-single-crystal transition in Gd(III) metal-organic frameworks induced by heat and solvents with a significant magnetocaloric effect.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5601","5607","10.1039/d3dt03867j","","","0.71073","MoKα","","0.0307","0.0244","","","0.0491","0.0511","","","","","","1.067","","","","has coordinates,has disorder","290991","2024-04-04","23:40:12",""
"7715172","11.0108","0.001","11.1168","0.001","15.8231","0.0014","104.973","0.003","109.46","0.003","90.221","0.003","1755.6","0.3","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H42 Gd4 N6 O34 S3 -","- C66 H30 Gd4 N6 O28 S3 -","- C66 H30 Gd4 N6 O28 S3 -","1","0.5","","Wang, Jin-Jin; Li, Yu; Zheng, Teng-Fei; Peng, Yan; Chen, Jing-Lin; Liu, Sui-Jun; Wen, He-Rui","Reversible single-crystal-to-single-crystal transition in Gd(III) metal-organic frameworks induced by heat and solvents with a significant magnetocaloric effect.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5601","5607","10.1039/d3dt03867j","","","0.71073","MoKα","","0.1019","0.0616","","","0.1419","0.1572","","","","","","1.062","","","","has coordinates","290991","2024-04-04","23:40:12",""
"7715173","10.998","0.0012","11.1805","0.0013","15.8136","0.0017","104.902","0.004","109.43","0.003","90.228","0.004","1763.5","0.3","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H42 Dy4 N6 O34 S3 -","- C66 H30 Dy4 N6 O28 S3 -","- C66 H30 Dy4 N6 O28 S3 -","1","0.5","","Wang, Jin-Jin; Li, Yu; Zheng, Teng-Fei; Peng, Yan; Chen, Jing-Lin; Liu, Sui-Jun; Wen, He-Rui","Reversible single-crystal-to-single-crystal transition in Gd(III) metal-organic frameworks induced by heat and solvents with a significant magnetocaloric effect.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5601","5607","10.1039/d3dt03867j","","","0.71073","MoKα","","0.0982","0.0629","","","0.1315","0.1511","","","","","","1.052","","","","has coordinates","290991","2024-04-04","23:40:12",""
"7715174","11.392","0.002","11.878","0.002","14.728","0.003","85.63","0.03","88.84","0.03","78.87","0.03","1949.7","0.7","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H36 F6 Ir N5 O4 -","- C42 H36 F6 Ir N5 O4 -","- C84 H72 F12 Ir2 N10 O8 -","2","1","","Martínez-Vollbert, Emiliano; Philouze, Christian; Cavignac, Théo; Latouche, Camille; Loiseau, Frédérique; Lanoë, Pierre-Henri","Neutral 2-phenylbenzimidazole-based iridium(III) complexes with picolinate ancillary ligand: tuning the emission properties by manipulating the substituent on the benzimidazole ring.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4705","4718","10.1039/d3dt03498d","","x-ray","0.71073","MoKα","","0.0255","0.0197","","","0.0442","0.0487","","","","","","1.141","","","","has coordinates,has disorder","290922","2024-04-04","23:20:52",""
"7715175","16.113","0.003","15.027","0.003","17.152","0.003","90","","102.83","0.03","90","","4049.3","1.4","200","","200","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H34 Cl2 F6 Ir N5 O2 -","- C41 H34 Cl2 F6 Ir N5 O2 -","- C164 H136 Cl8 F24 Ir4 N20 O8 -","4","1","","Martínez-Vollbert, Emiliano; Philouze, Christian; Cavignac, Théo; Latouche, Camille; Loiseau, Frédérique; Lanoë, Pierre-Henri","Neutral 2-phenylbenzimidazole-based iridium(III) complexes with picolinate ancillary ligand: tuning the emission properties by manipulating the substituent on the benzimidazole ring.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4705","4718","10.1039/d3dt03498d","","x-ray","0.71073","MoKα","","0.0539","0.0324","","","0.0729","0.0912","","","","","","1.159","","","","has coordinates,has disorder","290922","2024-04-04","23:20:52",""
"7715176","15.316","0.003","15.544","0.003","19.688","0.004","90","","101.07","0.03","90","","4599.9","1.6","200","","200","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43.54 H39.09 Cl3.09 F6 Ir N5 O4 -","- C43.544 H39.088 Cl3.088 F6 Ir N5 O4 -","- C174.176 H156.352 Cl12.352 F24 Ir4 N20 O16 -","4","1","","Martínez-Vollbert, Emiliano; Philouze, Christian; Cavignac, Théo; Latouche, Camille; Loiseau, Frédérique; Lanoë, Pierre-Henri","Neutral 2-phenylbenzimidazole-based iridium(III) complexes with picolinate ancillary ligand: tuning the emission properties by manipulating the substituent on the benzimidazole ring.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4705","4718","10.1039/d3dt03498d","","x-ray","0.71073","MoKα","","0.0509","0.0366","","","0.0899","0.1029","","","","","","1.135","","","","has coordinates,has disorder","290922","2024-04-04","23:20:52",""
"7715177","13.3997","0.0001","27.4462","0.0002","16.6071","0.0001","90","","93.429","0.001","90","","6096.67","0.07","100","0.1","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98 H88 Dy8 N10 O52 -","- C98 H88 Dy8 N10 O52 -","- C196 H176 Dy16 N20 O104 -","2","0.5","","Xie, Jia-Nan; Li, Yun-Lan; Wang, Hai-Ling; Xiao, Zi-Xin; Zhu, Zhong-Hong; Liang, Fu-Pei; Zou, Hua-Hong","Different anion (NO<sub>3</sub><sup>-</sup> and OAc<sup>-</sup>)-controlled construction of dysprosium clusters with different shapes.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5665","5675","10.1039/d3dt03314g","","","1.54184","CuKα","","0.0359","0.0344","","","0.0858","0.0866","","","","","","1.067","","","","has coordinates,has disorder","290994","2024-04-04","23:43:22",""
"7715178","16.3885","0.0003","16.4444","0.0004","20.8387","0.0005","101.263","0.002","98.069","0.002","97.087","0.002","5387.2","0.2","100","0.11","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C94 H79 Dy5 N10 O37 -","- C94 H79 Dy5 N10 O37 -","- C188 H158 Dy10 N20 O74 -","2","1","","Xie, Jia-Nan; Li, Yun-Lan; Wang, Hai-Ling; Xiao, Zi-Xin; Zhu, Zhong-Hong; Liang, Fu-Pei; Zou, Hua-Hong","Different anion (NO<sub>3</sub><sup>-</sup> and OAc<sup>-</sup>)-controlled construction of dysprosium clusters with different shapes.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5665","5675","10.1039/d3dt03314g","","","1.54184","CuKα","","0.0452","0.0429","","","0.1142","0.1154","","","","","","1.044","","","","has coordinates","290994","2024-04-04","23:43:22",""
"7715179","26.3873","0.0003","27.8871","0.0005","38.2827","0.0005","90","","92.092","0.001","90","","28152.1","0.7","100","0.4","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C215 H305 Dy14 N31 O122 -","- C167 H185 Dy14 N7 O98 -","- C668 H740 Dy56 N28 O392 -","4","1","","Xie, Jia-Nan; Li, Yun-Lan; Wang, Hai-Ling; Xiao, Zi-Xin; Zhu, Zhong-Hong; Liang, Fu-Pei; Zou, Hua-Hong","Different anion (NO<sub>3</sub><sup>-</sup> and OAc<sup>-</sup>)-controlled construction of dysprosium clusters with different shapes.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5665","5675","10.1039/d3dt03314g","","","1.3405","GaKα","","0.2147","0.1815","","","0.4466","0.4694","","","","","","1.695","","","","has coordinates,has disorder","290994","2024-04-04","23:43:22",""
"7715180","17.9542","0.0004","17.9542","0.0004","27.4233","0.0008","90","","90","","120","","7655.7","0.3","100","0.1","100","0.1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C78 H60 N6 O64 W12 Zn4 -","- C78 H60 N6 O64 W12 Zn4 -","- C234 H180 N18 O192 W36 Zn12 -","3","0.166667","","Huang, Li; Li, Xiao-Nan; Shen, Yuan; Song, Run-Hong; Cui, Wen-Bo; Zhang, Hong","Zinc tungstate encapsulated into a scarce Zn(II)-viologen framework with photochromic, electrochromic and chemochromic properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5192","5201","10.1039/d3dt03647b","","x-ray","0.71073","MoKα","","0.0806","0.0598","","","0.1678","0.1822","","","","","","1.028","","","","has coordinates","290967","2024-04-04","23:32:03",""
"7715181","18.0082","0.0003","18.0082","0.0003","27.5563","0.0005","90","","90","","120","","7739.1","0.2","293.16","","293.16","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C78 H60 N6 O64 W12 Zn4 -","- C78 H60 N6 O64 W12 Zn4 -","- C234 H180 N18 O192 W36 Zn12 -","3","0.166667","","Huang, Li; Li, Xiao-Nan; Shen, Yuan; Song, Run-Hong; Cui, Wen-Bo; Zhang, Hong","Zinc tungstate encapsulated into a scarce Zn(II)-viologen framework with photochromic, electrochromic and chemochromic properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5192","5201","10.1039/d3dt03647b","","x-ray","1.54184","CuKα","","0.0697","0.0651","","","0.187","0.1934","","","","","","1.05","","","","has coordinates,has disorder","290967","2024-04-04","23:32:04",""
"7715182","12.1035","0.0015","12.1035","0.0015","10.1522","0.0015","90","","90","","90","","1487.2","0.3","210","","210","","","","","","","","","3","I -4","I -4","82","","","","- Cl20 Te4 Ti -","- Cl20 Te4 Ti -","- Cl40 Te8 Ti2 -","2","0.25","","Bonnin, Maxime A.; Beier, Klaus; Bayarjargal, Lkhamsuren; Winkler, Björn; Feldmann, Claus","(TeCl)4(TiCl4) with isolated Te4Cl16 and TiCl4 molecules and second-harmonic-generation","Dalton Transactions","2024","53","11","4962","4967","10.1039/D4DT00284A","","x-ray","0.71073","MoKα","","0.0211","0.0191","","","0.0435","0.0438","","","","","","0.997","","","","has coordinates","290972","2024-04-04","23:33:25",""
"7715183","37.4123","0.0016","20.4814","0.0008","27.5912","0.0009","90","","108.464","0.002","90","","20053.6","1.4","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H87 Dy2 K2 N17 O27 -","- C72 H87 Dy2 K2 N17 O27 -","- C576 H696 Dy16 K16 N136 O216 -","8","1","","Yin, Yi; Luo, Rong; Wang, Wen; Wang, Rui; Jiang, Nan; Chen, Peng; Yu, Hai-Jun; Bi, Shuang-Yu; Shao, Feng","A dysprosium(III)-based triple helical-like complex as a turn-on/off fluorescence sensor for Al(III) and 4,5-dimethyl-2-nitroaniline.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5544","5552","10.1039/d3dt03546h","","","","","","0.124","","","","","","","","","","","","","","","has coordinates,has disorder","290980","2024-04-04","23:36:06",""
"7715184","8.1978","0.0001","41.0395","0.0006","36.5103","0.0004","90","","93.874","0.001","90","","12255.2","0.3","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 Br4 Cl2 Co N6 O8 -","- C38 H26 Br4 Cl2 Co N6 O8 -","- C456 H312 Br48 Cl24 Co12 N72 O96 -","12","3","","Rabelo, Renato; Toma, Luminita; Julve, Miguel; Lloret, Francesc; Pasán, Jorge; Cangussu, Danielle; Ruiz-García, Rafael; Cano, Joan","How the spin state tunes the slow magnetic relaxation field dependence in spin crossover cobalt(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5507","5520","10.1039/d4dt00059e","","","0.71073","MoKα","","0.0899","0.0625","","","0.1269","0.1391","","","","","","1.08","","","","has coordinates,has disorder","290995","2024-04-04","23:43:39",""
"7715185","12.3179","0.0001","38.8295","0.0003","18.2714","0.0002","90","","92.694","0.001","90","","8729.51","0.14","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H29 Br4 Cl2 Co N7 O8 -","- C40 H29 Br4 Cl2 Co N7 O8 -","- C320 H232 Br32 Cl16 Co8 N56 O64 -","8","2","","Rabelo, Renato; Toma, Luminita; Julve, Miguel; Lloret, Francesc; Pasán, Jorge; Cangussu, Danielle; Ruiz-García, Rafael; Cano, Joan","How the spin state tunes the slow magnetic relaxation field dependence in spin crossover cobalt(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5507","5520","10.1039/d4dt00059e","","","0.71073","MoKα","","0.1106","0.0568","","","0.0981","0.1132","","","","","","1.013","","","","has coordinates","290995","2024-04-04","23:43:48",""
"7715186","10.1717","0.0008","10.3299","0.0006","21.7926","0.0015","95.702","0.002","98.578","0.003","91.896","0.002","2250.3","0.3","150","2","150","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H34 Cl6 Co N6 O10 -","- C42 H34 Cl6 Co N6 O10 -","- C84 H68 Cl12 Co2 N12 O20 -","2","1","","Rabelo, Renato; Toma, Luminita; Julve, Miguel; Lloret, Francesc; Pasán, Jorge; Cangussu, Danielle; Ruiz-García, Rafael; Cano, Joan","How the spin state tunes the slow magnetic relaxation field dependence in spin crossover cobalt(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5507","5520","10.1039/d4dt00059e","","","0.71073","MoKα","","0.0708","0.0458","","","0.1062","0.1226","","","","","","1.056","","","","has coordinates,has disorder","290995","2024-04-04","23:43:48",""
"7715187","12.5152","0.0003","39.5528","0.0008","18.4447","0.0004","90","","92.044","0.001","90","","9124.5","0.3","150","2","150","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H29 Cl2 Co I4 N7 O8 -","- C40 H29 Cl2 Co I4 N7 O8 -","- C320 H232 Cl16 Co8 I32 N56 O64 -","8","2","","Rabelo, Renato; Toma, Luminita; Julve, Miguel; Lloret, Francesc; Pasán, Jorge; Cangussu, Danielle; Ruiz-García, Rafael; Cano, Joan","How the spin state tunes the slow magnetic relaxation field dependence in spin crossover cobalt(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5507","5520","10.1039/d4dt00059e","","","0.71073","MoKα","","0.04","0.0325","","","0.0636","0.0664","","","","","","1.128","","","","has coordinates,has disorder","290995","2024-04-04","23:43:48",""
"7715188","10.1292","0.0003","9.7663","0.0003","18.4954","0.0006","90","","94.364","0.002","90","","1824.35","0.1","173.15","","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H18 Au F6 N4 P -","- C16 H18 Au F6 N4 P -","- C64 H72 Au4 F24 N16 P4 -","4","2","","Sookai, Sheldon; Akerman, Matthew P.; Munro, Orde Q.","Chiral Au(III) chelates exhibit unique NCI-60 cytotoxicity profiles and interactions with human serum albumin.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5089","5104","10.1039/d3dt04024k","","","0.71073","MoKα","","0.0362","0.0258","","","0.0427","0.0449","","","","","","0.971","","","","has coordinates,has disorder","290969","2024-04-04","23:32:52",""
"7715189","10.3951","0.0002","18.2575","0.0003","10.0206","0.0002","90","","90","","90","","1901.8","0.06","100.15","","100.15","","","","","","","","","6","P 21 2 21","P 2ac 2ac","18","","","","- C16 H18 Au F6 N4 P -","- C16 H18 Au F6 N4 P -","- C64 H72 Au4 F24 N16 P4 -","4","1","","Sookai, Sheldon; Akerman, Matthew P.; Munro, Orde Q.","Chiral Au(III) chelates exhibit unique NCI-60 cytotoxicity profiles and interactions with human serum albumin.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5089","5104","10.1039/d3dt04024k","","","0.71073","MoKα","","0.0548","0.0456","","","0.13","0.1433","","","","","","1.0459","","","","has coordinates","290969","2024-04-04","23:32:53",""
"7715190","7.2577","0.0002","11.4312","0.0003","14.6611","0.0004","106.133","0.002","102.146","0.002","102.844","0.002","1090.05","0.06","100","2","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C20.56 H19.8 N5 O1.13 Pd S2.84 -","- C20.565 H19.804 N5 O1.134 Pd S2.837 -","- C41.13 H39.608 N10 O2.268 Pd2 S5.674 -","2","1","","Mansour, Ahmed M.; Khaled, Rabaa M.; Radacki, Krzysztof; Abo-Zeid, Mona A M; Shehab, Ola R.; Mostafa, Gamal A. E.; Ali, Essam A.; Abo-Elfadl, Mahmoud T","Role of the auxiliary ligand in determining the genotoxicity and mode of cell death of thiosemicarbazone Pd(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5073","5083","10.1039/d4dt00032c","","","1.54184","CuKα","","0.0409","0.0367","","","0.0873","0.0892","","","","","","1.062","","","","has coordinates,has disorder","290974","2024-04-04","23:33:45",""
"7715191","8.7605","0.0018","10.686","0.002","16.726","0.004","98.226","0.009","97.121","0.007","101.652","0.007","1498.8","0.6","150","2","150","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H24 Br Mn N5 O3 P -","- C30 H24 Br Mn N5 O3 P -","- C60 H48 Br2 Mn2 N10 O6 P2 -","2","1","","Mohite, Manali A.; Sheokand, Sonu; Mondal, Dipanjan; Balakrishna, Maravanji S.","Catalytic utility of PNN-based Mn<sup>I</sup> pincer complexes in the synthesis of quinolines and transfer hydrogenation of carbonyl derivatives.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5580","5591","10.1039/d4dt00001c","","","0.71073","MoKα","","0.0805","0.0727","","","0.2121","0.2206","","","","","","1.061","","","","has coordinates","290986","2024-04-04","23:38:59",""
"7715192","18.7073","0.0013","8.3671","0.0006","18.467","0.0011","90","","110.297","0.002","90","","2711.1","0.3","150","2","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 Br Mn N5 O2 P -","- C29 H24 Br Mn N5 O2 P -","- C116 H96 Br4 Mn4 N20 O8 P4 -","4","1","","Mohite, Manali A.; Sheokand, Sonu; Mondal, Dipanjan; Balakrishna, Maravanji S.","Catalytic utility of PNN-based Mn<sup>I</sup> pincer complexes in the synthesis of quinolines and transfer hydrogenation of carbonyl derivatives.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5580","5591","10.1039/d4dt00001c","","","0.71073","MoKα","","0.0739","0.0603","","","0.1624","0.17","","","","","","1.072","","","","has coordinates","290986","2024-04-04","23:38:59",""
"7715193","8.9264","0.0003","13.0268","0.0003","13.0647","0.0003","90.87","0.002","102.085","0.002","94.427","0.002","1480.33","0.07","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H24 B F4 Mn N5 O3 P -","- C30 H24 B F4 Mn N5 O3 P -","- C60 H48 B2 F8 Mn2 N10 O6 P2 -","2","1","","Mohite, Manali A.; Sheokand, Sonu; Mondal, Dipanjan; Balakrishna, Maravanji S.","Catalytic utility of PNN-based Mn<sup>I</sup> pincer complexes in the synthesis of quinolines and transfer hydrogenation of carbonyl derivatives.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5580","5591","10.1039/d4dt00001c","","x-ray","0.71073","MoKα","","0.1192","0.0544","","","0.1107","0.1357","","","","","","1.038","","","","has coordinates","290986","2024-04-04","23:38:59",""
"7715194","10.277","0.0005","11.899","0.0006","12.2515","0.0006","63.338","0.002","81.714","0.002","70.818","0.002","1264.54","0.11","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H19 Cl2 Co N6 O5 -","- C22 H17 Co N6 O5 -","- C44 H34 Co2 N12 O10 -","2","1","","Barman, Souvik; Das, Dhiraj; Pal, Kuntal","Non-covalent interactions in molecular architectures and solvent-free catalytic activity towards CO<sub>2</sub> fixation of mononuclear Co(III) complexes installed on modified Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5632","5647","10.1039/d3dt04293f","","","1.54178","CuKα","","0.0483","0.0456","","","0.1169","0.1184","","","","","","1.064","","","","has coordinates","290987","2024-04-04","23:39:15",""
"7715195","8.8732","0.0016","10.2837","0.0019","14.993","0.003","78.404","0.004","79.175","0.004","66.066","0.004","1216.3","0.4","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Co N5 O3 -","- C22 H18 Co N5 O3 -","- C44 H36 Co2 N10 O6 -","2","1","","Barman, Souvik; Das, Dhiraj; Pal, Kuntal","Non-covalent interactions in molecular architectures and solvent-free catalytic activity towards CO<sub>2</sub> fixation of mononuclear Co(III) complexes installed on modified Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5632","5647","10.1039/d3dt04293f","","","0.71073","MoKα","","0.0472","0.0411","","","0.1153","0.1217","","","","","","1.073","","","","has coordinates","290987","2024-04-04","23:39:15",""
"7715196","11.372","0.003","11.481","0.004","12.108","0.004","76.88","0.005","62.834","0.004","80.875","0.005","1367","0.8","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H17 Br Co N5 O3 -","- C22 H17 Br Co N5 O3 -","- C44 H34 Br2 Co2 N10 O6 -","2","1","","Barman, Souvik; Das, Dhiraj; Pal, Kuntal","Non-covalent interactions in molecular architectures and solvent-free catalytic activity towards CO<sub>2</sub> fixation of mononuclear Co(III) complexes installed on modified Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5632","5647","10.1039/d3dt04293f","","","0.71073","MoKα","","0.0603","0.0366","","","0.0832","0.0917","","","","","","1.042","","","","has coordinates","290987","2024-04-04","23:39:15",""
"7715197","7.9042","0.0008","9.6253","0.0009","14.829","0.0013","78.913","0.007","89.952","0.008","73.801","0.008","1061.51","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 Ge N2 O4 -","- C25 H18 Ge N2 O4 -","- C50 H36 Ge2 N4 O8 -","2","1","","Basu, Debayan; Ghosh, Barshali; Srivastava, Diship; Patra, Niladri; Nayek, Hari Pada","Mononuclear organogermanium(IV) catalysts for a [3 + 2] cycloaddition reaction.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5648","5657","10.1039/d4dt00239c","","","0.71073","MoKα","","0.0752","0.0535","","","0.142","0.1522","","","","","","1.053","","","","has coordinates","290992","2024-04-04","23:40:21",""
"7715198","11.187","0.0005","12.4501","0.0006","16.353","0.0008","81.627","0.004","89.04","0.004","82.921","0.004","2236.18","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Ge N2 O5 -","- C26 H20 Ge N2 O5 -","- C104 H80 Ge4 N8 O20 -","4","2","","Basu, Debayan; Ghosh, Barshali; Srivastava, Diship; Patra, Niladri; Nayek, Hari Pada","Mononuclear organogermanium(IV) catalysts for a [3 + 2] cycloaddition reaction.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5648","5657","10.1039/d4dt00239c","","","0.71073","MoKα","","0.083","0.0418","","","0.0741","0.0825","","","","","","0.936","","","","has coordinates","290992","2024-04-04","23:40:21",""
"7715199","10.1836","0.0004","11.777","0.0005","14.4181","0.0006","108.515","0.002","95.741","0.003","97.957","0.003","1604.7","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","TT-500","","- C28 H48 N4 P2 Se2 -","- C28 H48 N4 P2 Se2 -","- C56 H96 N8 P4 Se4 -","2","1","","Terschüren, Tatjana; Schnakenburg, Gregor; Streubel, Rainer","Application of phosphorus-bridged rigid, bent bis(NHCs) as dipodal ligands in main group and transition metal chemistry.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5043","5050","10.1039/d4dt00378k","","x-ray","1.54178","CuKα","","0.0829","0.07","","","0.2027","0.2108","","","","","","1.141","","","","has coordinates","290973","2024-04-04","23:33:38",""
"7715200","17.3905","0.0007","14.4115","0.0004","24.3244","0.0011","90","","103.089","0.003","90","","5937.9","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","TT-592","","- C28 H48 N4 P2 -","- C28 H48 N4 P2 -","- C224 H384 N32 P16 -","8","2","","Terschüren, Tatjana; Schnakenburg, Gregor; Streubel, Rainer","Application of phosphorus-bridged rigid, bent bis(NHCs) as dipodal ligands in main group and transition metal chemistry.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5043","5050","10.1039/d4dt00378k","","","1.54186","CuKα","","0.1519","0.089","","","0.2054","0.2474","","","","","","1.043","","","","has coordinates,has disorder","290973","2024-04-04","23:33:38",""
"7715201","10.1316","0.0003","10.7203","0.0003","11.9188","0.0003","68.147","0.001","68.421","0.001","86.364","0.001","1113.25","0.05","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H17 Cl2 Cu N3 O4 -","- C20 H17 Cl2 Cu N3 O4 -","- C40 H34 Cl4 Cu2 N6 O8 -","2","1","","Kumar, Rakesh; Maji, Anweshika; Biswas, Bhargab; Draksharapu, Apparao","Amphoteric reactivity of a putative Cu(II)-<i>m</i>CPBA intermediate.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5401","5406","10.1039/d3dt03747a","","","0.71073","MoKα","","0.0287","0.0261","","","0.0658","0.0674","","","","","","1.08","","","","has coordinates,has disorder","290983","2024-04-04","23:38:20",""
"7715202","19.27277","0.00012","19.27277","0.00012","49.9982","0.0006","90","","90","","90","","18571.3","0.3","150","0.1","150","0.1","","","","","","","","6","P 41","P 4w","76","","","","- C102 H73 Cl2 O6 P8 Rh2 -","- C102 H73 Cl2 O6 P8 Rh2 -","- C816 H584 Cl16 O48 P64 Rh16 -","8","2","","Zhang, Jie; Hou, Yuanfeng; Liu, Shihua; Lin, Jieli; Li, Zhongshu","The case of a μ<sub>2</sub>-P aromatic phosphinine as a 4-electron donor forming σ- and π-three-center-two-electron bonds.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5608","5615","10.1039/d4dt00228h","","x-ray","1.54184","CuKα","","0.1049","0.0812","","","0.2162","0.2287","","","","","","1.122","","","","has coordinates,has disorder","290993","2024-04-04","23:42:59",""
"7715203","12.6282","0.0008","15.408","0.0009","21.6077","0.0012","77.086","0.005","73.804","0.005","84.818","0.005","3933.6","0.4","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C84 H48 B F24 O4 P4 Rh -","- C84 H48 B F23.9997 O4 P4 Rh -","- C168 H96 B2 F47.9994 O8 P8 Rh2 -","2","1","","Zhang, Jie; Hou, Yuanfeng; Liu, Shihua; Lin, Jieli; Li, Zhongshu","The case of a μ<sub>2</sub>-P aromatic phosphinine as a 4-electron donor forming σ- and π-three-center-two-electron bonds.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5608","5615","10.1039/d4dt00228h","","x-ray","0.71073","MoKα","","0.0699","0.0456","","","0.1057","0.118","","","","","","1.03","","","","has coordinates,has disorder","290993","2024-04-04","23:42:59",""
"7715204","15.2878","0.0001","16.0822","0.0002","22.095","0.0002","98.603","0.001","106.9","0.001","92.922","0.001","5113.54","0.09","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C104 H76 Cl12 Ga2 O6 P8 Rh2 -","- C104 H76 Cl12 Ga2 O6 P8 Rh2 -","- C208 H152 Cl24 Ga4 O12 P16 Rh4 -","2","1","","Zhang, Jie; Hou, Yuanfeng; Liu, Shihua; Lin, Jieli; Li, Zhongshu","The case of a μ<sub>2</sub>-P aromatic phosphinine as a 4-electron donor forming σ- and π-three-center-two-electron bonds.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5608","5615","10.1039/d4dt00228h","","x-ray","1.54184","CuKα","","0.0472","0.0451","","","0.117","0.1184","","","","","","1.037","","","","has coordinates,has disorder","290993","2024-04-04","23:42:59",""
"7715205","15.8711","0.0001","33.0914","0.0003","21.7367","0.0002","90","","109.992","0.001","90","","10728.1","0.17","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C126 H120 O12 P8 Rh2 -","- C126 H120 O12 P8 Rh2 -","- C504 H480 O48 P32 Rh8 -","4","1","","Zhang, Jie; Hou, Yuanfeng; Liu, Shihua; Lin, Jieli; Li, Zhongshu","The case of a μ<sub>2</sub>-P aromatic phosphinine as a 4-electron donor forming σ- and π-three-center-two-electron bonds.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5608","5615","10.1039/d4dt00228h","","x-ray","1.54184","CuKα","","0.0743","0.0632","","","0.161","0.1674","","","","","","1.064","","","","has coordinates,has disorder","290993","2024-04-04","23:42:59",""
"7715206","10.7667","0.0002","12.5061","0.0003","15.2672","0.0003","66.153","0.002","69.597","0.002","74.811","0.002","1744.6","0.07","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C38 H46 Br4 Cl2 Cu5 Dy2 N4 O20 -","- C38 H46 Br4 Cl2 Cu5 Dy2 N4 O20 -","- C38 H46 Br4 Cl2 Cu5 Dy2 N4 O20 -","1","0.5","","Mičová, Romana; Rajnák, Cyril; Titiš, Ján; Moncoľ, Ján; Nováčiková, Jana; Bieńko, Alina; Boča, Roman","A heptanuclear {Dy<sub>2</sub>Cu<sub>5</sub>} complex as a single-molecule magnet.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5147","5151","10.1039/d3dt03811d","","","1.54186","CuKα","","0.0594","0.0496","","","0.1371","0.143","","","","","","1.111","","","","has coordinates","290964","2024-04-04","23:31:25",""
"7715207","11.0665","0.0002","10.5685","0.0003","10.2132","0.0002","90","","95.816","0.002","90","","1188.35","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C9 H35 B18 Co I N -","- C9 H35 B18 Co I N -","- C18 H70 B36 Co2 I2 N2 -","2","1","","Nekvinda, Jan; Bavol, Dmytro; Litecká, Miroslava; Tüzün, Ece Zeynep; Dušek, Michal; Grüner, Bohumír","Synthetic routes to carbon substituted cobalt bis(dicarbollide) alkyl halides and aromatic amines along with closely related irregular pathways.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5816","5826","10.1039/d4dt00072b","","x-ray","1.54184","CuKα","","0.0518","0.0485","","","0.1328","0.1374","","","","","","1.066","","","","has coordinates,has disorder","290943","2024-04-04","23:27:15",""
"7715208","13.5941","0.0004","10.4409","0.0003","16.1919","0.0005","90","","93.263","0.002","90","","2294.47","0.12","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H36 B18 Co N -","- C10 H36 B18 Co N -","- C40 H144 B72 Co4 N4 -","4","1","","Nekvinda, Jan; Bavol, Dmytro; Litecká, Miroslava; Tüzün, Ece Zeynep; Dušek, Michal; Grüner, Bohumír","Synthetic routes to carbon substituted cobalt bis(dicarbollide) alkyl halides and aromatic amines along with closely related irregular pathways.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5816","5826","10.1039/d4dt00072b","","x-ray","1.54184","CuKα","","","","","","","","","","","","","","","","","has coordinates","290943","2024-04-04","23:27:15",""
"7715209","14.2945","0.0002","12.399","0.0001","13.3076","0.0001","90","","106.1","0.001","90","","2266.1","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H32 B18 Co N -","- C12 H32 B18 Co N -","- C48 H128 B72 Co4 N4 -","4","1","","Nekvinda, Jan; Bavol, Dmytro; Litecká, Miroslava; Tüzün, Ece Zeynep; Dušek, Michal; Grüner, Bohumír","Synthetic routes to carbon substituted cobalt bis(dicarbollide) alkyl halides and aromatic amines along with closely related irregular pathways.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5816","5826","10.1039/d4dt00072b","","x-ray","1.54184","CuKα","","0.0331","0.0306","","","0.0838","0.0852","","","","","","1.055","","","","has coordinates","290943","2024-04-04","23:27:15",""
"7715210","13.7657","0.0003","11.6644","0.0002","14.2364","0.0003","90","","94.582","0.002","90","","2278.61","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H36 B18 Co N -","- C10 H36 B18 Co N -","- C40 H144 B72 Co4 N4 -","4","1","","Nekvinda, Jan; Bavol, Dmytro; Litecká, Miroslava; Tüzün, Ece Zeynep; Dušek, Michal; Grüner, Bohumír","Synthetic routes to carbon substituted cobalt bis(dicarbollide) alkyl halides and aromatic amines along with closely related irregular pathways.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5816","5826","10.1039/d4dt00072b","","x-ray","1.54184","CuKα","","0.0527","0.0466","","","0.1225","0.1257","","","","","","1.067","","","","has coordinates","290943","2024-04-04","23:27:15",""
"7715211","15.3274","0.0004","12.8952","0.0003","14.37","0.0003","90","","109.088","0.003","90","","2684.07","0.12","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H40 B18 Cl2 Co N -","- C13 H40 B18 Cl2 Co N -","- C52 H160 B72 Cl8 Co4 N4 -","4","1","","Nekvinda, Jan; Bavol, Dmytro; Litecká, Miroslava; Tüzün, Ece Zeynep; Dušek, Michal; Grüner, Bohumír","Synthetic routes to carbon substituted cobalt bis(dicarbollide) alkyl halides and aromatic amines along with closely related irregular pathways.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5816","5826","10.1039/d4dt00072b","","x-ray","1.54184","CuKα","","0.0381","0.0352","","","0.0933","0.095","","","","","","1.059","","","","has coordinates,has disorder","290943","2024-04-04","23:27:15",""
"7715212","9.89","0.0002","10.5598","0.0003","11.48866","0.00018","84.75","0.0017","87.7997","0.0015","88.905","0.002","1193.77","0.05","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H38 B18 Co N -","- C12 H38 B18 Co N -","- C24 H76 B36 Co2 N2 -","2","1","","Nekvinda, Jan; Bavol, Dmytro; Litecká, Miroslava; Tüzün, Ece Zeynep; Dušek, Michal; Grüner, Bohumír","Synthetic routes to carbon substituted cobalt bis(dicarbollide) alkyl halides and aromatic amines along with closely related irregular pathways.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5816","5826","10.1039/d4dt00072b","","x-ray","1.54184","CuKα","","0.0541","0.0513","","","0.1443","0.1471","","","","","","1.053","","","","has coordinates","290943","2024-04-04","23:27:15",""
"7715213","9.9831","0.0001","12.2036","0.0002","10.5823","0.0001","90","","97.007","0.001","90","","1279.61","0.03","100","2","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H38 B2 N6 Ni -","- C20 H38 B2 N6 Ni -","- C40 H76 B4 N12 Ni2 -","2","0.5","","Luff, Martin S.; Walther, Luis; Finze, Maik; Radius, Udo","NHC-ligated nickel(II) cyanoborate complexes and salts.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5391","5400","10.1039/d4dt00231h","","","1.54184","CuKα","","0.0299","0.0289","","","0.0822","0.083","","","","","","1.097","","","","has coordinates","290978","2024-04-04","23:35:15",""
"7715214","25.4701","0.0009","8.9526","0.0003","23.2828","0.0007","90","","96.051","0.003","90","","5279.4","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H33 B Br N7 Ni -","- C21 H33 B Br N7 Ni -","- C168 H264 B8 Br8 N56 Ni8 -","8","1","","Luff, Martin S.; Walther, Luis; Finze, Maik; Radius, Udo","NHC-ligated nickel(II) cyanoborate complexes and salts.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5391","5400","10.1039/d4dt00231h","","","1.54184","CuKα","","0.059","0.0549","","","0.1499","0.1531","","","","","","1.092","","","","has coordinates","290978","2024-04-04","23:35:15",""
"7715215","10.7733","0.0002","12.1983","0.0002","34.4222","0.0006","90","","90","","90","","4523.63","0.14","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H58 B Br N6 Ni O -","- C48 H58 B Br N6 Ni O -","- C192 H232 B4 Br4 N24 Ni4 O4 -","4","1","","Luff, Martin S.; Walther, Luis; Finze, Maik; Radius, Udo","NHC-ligated nickel(II) cyanoborate complexes and salts.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5391","5400","10.1039/d4dt00231h","","","1.54184","CuKα","","0.0424","0.0391","","","0.0993","0.1011","","","","","","1.041","","","","has coordinates","290978","2024-04-04","23:35:15",""
"7715216","8.9341","0.0005","9.5418","0.0006","10.1375","0.0006","69.393","0.006","85.022","0.005","74.058","0.005","777.74","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H44 B2 N8 Ni -","- C26 H44 B2 N8 Ni -","- C26 H44 B2 N8 Ni -","1","0.5","","Luff, Martin S.; Walther, Luis; Finze, Maik; Radius, Udo","NHC-ligated nickel(II) cyanoborate complexes and salts.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5391","5400","10.1039/d4dt00231h","","","0.71073","MoKα","","0.088","0.0759","","","0.2095","0.2283","","","","","","1.036","","","","has coordinates,has disorder","290978","2024-04-04","23:35:15",""
"7715217","18.5687","0.0006","12.8671","0.0004","21.6604","0.0007","90","","100.151","0.003","90","","5094.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H76 B2 N15 Ni -","- C47 H76 B2 N15 Ni -","- C188 H304 B8 N60 Ni4 -","4","1","","Luff, Martin S.; Walther, Luis; Finze, Maik; Radius, Udo","NHC-ligated nickel(II) cyanoborate complexes and salts.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5391","5400","10.1039/d4dt00231h","","","0.71073","MoKα","","0.1096","0.0824","","","0.2194","0.2348","","","","","","1.058","","","","has coordinates,has disorder","290978","2024-04-04","23:35:15",""
"7715218","18.1592","0.0001","18.1592","0.0001","28.637","0.0001","90","","90","","90","","9443.24","0.08","100","2","100","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C156 H216 B8 N64 Ni4 O3 -","- C156 H216 B8 N64 Ni4 O3 -","- C312 H432 B16 N128 Ni8 O6 -","2","0.125","","Luff, Martin S.; Walther, Luis; Finze, Maik; Radius, Udo","NHC-ligated nickel(II) cyanoborate complexes and salts.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5391","5400","10.1039/d4dt00231h","","","1.54184","CuKα","","0.0702","0.0695","","","0.1999","0.2008","","","","","","1.071","","","","has coordinates,has disorder","290978","2024-04-04","23:35:15",""
"7715219","34.8025","0.0003","11.9189","0.0001","23.7047","0.0002","90","","104.648","0.001","90","","9513.3","0.15","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C98 H103 B4 N21 Ni2 -","- C98 H103 B4 N21 Ni2 -","- C392 H412 B16 N84 Ni8 -","4","1","","Luff, Martin S.; Walther, Luis; Finze, Maik; Radius, Udo","NHC-ligated nickel(II) cyanoborate complexes and salts.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5391","5400","10.1039/d4dt00231h","","","1.54184","CuKα","","0.0524","0.0488","","","0.1395","0.1439","","","","","","1.081","","","","has coordinates","290978","2024-04-04","23:35:15",""
"7715220","18.2256","0.0002","15.8811","0.0001","20.8977","0.0002","90","","90","","90","","6048.68","0.1","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C56 H76 B2 N16 Ni -","- C56 H76 B2 N16 Ni -","- C224 H304 B8 N64 Ni4 -","4","0.5","","Luff, Martin S.; Walther, Luis; Finze, Maik; Radius, Udo","NHC-ligated nickel(II) cyanoborate complexes and salts.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5391","5400","10.1039/d4dt00231h","","","1.54184","CuKα","","0.0747","0.0707","","","0.1886","0.1921","","","","","","1.047","","","","has coordinates,has disorder","290978","2024-04-04","23:35:15",""
"7715221","29.8698","0.0003","13.0489","0.0002","15.7689","0.0002","90","","94.153","0.001","90","","6130.07","0.14","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H72 Ag2 B4 N12 Ni O2 -","- C58 H72 Ag2 B4 N12 Ni O2 -","- C232 H288 Ag8 B16 N48 Ni4 O8 -","4","0.5","","Luff, Martin S.; Walther, Luis; Finze, Maik; Radius, Udo","NHC-ligated nickel(II) cyanoborate complexes and salts.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5391","5400","10.1039/d4dt00231h","","","1.54184","CuKα","","0.0449","0.039","","","0.1364","0.1421","","","","","","1.126","","","","has coordinates,has disorder","290978","2024-04-04","23:35:15",""
"7715222","10.6401","0.0001","20.8184","0.0001","17.6129","0.0001","90","","100.694","0.001","90","","3833.67","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H50 B2 N12 Ni -","- C33 H50 B2 N12 Ni -","- C132 H200 B8 N48 Ni4 -","4","1","","Luff, Martin S.; Walther, Luis; Finze, Maik; Radius, Udo","NHC-ligated nickel(II) cyanoborate complexes and salts.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5391","5400","10.1039/d4dt00231h","","","1.54184","CuKα","","0.0384","0.036","","","0.0929","0.0944","","","","","","1.081","","","","has coordinates","290978","2024-04-04","23:35:15",""
"7715223","12.0534","0.0001","16.8511","0.0001","15.2435","0.0001","90","","95.41","0.001","90","","3082.36","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H82 B2 N8 Ni -","- C64 H82 B2 N8 Ni -","- C128 H164 B4 N16 Ni2 -","2","0.5","","Luff, Martin S.; Walther, Luis; Finze, Maik; Radius, Udo","NHC-ligated nickel(II) cyanoborate complexes and salts.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5391","5400","10.1039/d4dt00231h","","","1.54184","CuKα","","0.037","0.0344","","","0.0909","0.0927","","","","","","1.063","","","","has coordinates","290978","2024-04-04","23:35:15",""
"7715224","10.4717","0.0002","14.736","0.0002","17.6069","0.0003","90","","106.022","0.002","90","","2611.4","0.08","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H30 B2 Cl2 N8 Ni -","- C19 H30 B2 Cl2 N8 Ni -","- C76 H120 B8 Cl8 N32 Ni4 -","4","0.5","","Luff, Martin S.; Walther, Luis; Finze, Maik; Radius, Udo","NHC-ligated nickel(II) cyanoborate complexes and salts.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5391","5400","10.1039/d4dt00231h","","","1.54184","CuKα","","0.0493","0.0482","","","0.149","0.1497","","","","","","1.109","","","","has coordinates,has disorder","290978","2024-04-04","23:35:15",""
"7715225","16.8608","0.0003","9.8305","0.0002","19.1245","0.0004","90","","101.488","0.002","90","","3106.38","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H37 B Br N7 Ni -","- C29 H37 B Br N7 Ni -","- C116 H148 B4 Br4 N28 Ni4 -","4","1","","Luff, Martin S.; Walther, Luis; Finze, Maik; Radius, Udo","NHC-ligated nickel(II) cyanoborate complexes and salts.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5391","5400","10.1039/d4dt00231h","","","1.54184","CuKα","","0.0628","0.0536","","","0.1346","0.1402","","","","","","1.06","","","","has coordinates,has disorder","290978","2024-04-04","23:35:15",""
"7715226","23.6027","0.0001","13.9757","0.0001","17.1173","0.0001","90","","99.361","0.001","90","","5571.19","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H66 B2 N16 Ni2 O2 -","- C44 H66 B2 N16 Ni2 O2 -","- C176 H264 B8 N64 Ni8 O8 -","4","1","","Luff, Martin S.; Walther, Luis; Finze, Maik; Radius, Udo","NHC-ligated nickel(II) cyanoborate complexes and salts.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5391","5400","10.1039/d4dt00231h","","","1.54184","CuKα","","0.0396","0.0362","","","0.0965","0.099","","","","","","1.036","","","","has coordinates","290978","2024-04-04","23:35:15",""
"7715227","11.5985","0.0001","14.4915","0.0001","20.77","0.0001","90","","91.511","0.001","90","","3489.8","0.04","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H98 B2 F0 N8 Ni2 O6 -","- C66 H98 B2 N8 Ni2 O6 -","- C132 H196 B4 N16 Ni4 O12 -","2","0.5","","Luff, Martin S.; Walther, Luis; Finze, Maik; Radius, Udo","NHC-ligated nickel(II) cyanoborate complexes and salts.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5391","5400","10.1039/d4dt00231h","","","1.54184","CuKα","","0.037","0.0347","","","0.0934","0.095","","","","","","1.059","","","","has coordinates,has disorder","290978","2024-04-04","23:35:15",""
"7715228","9.3855","0.0001","24.4893","0.0003","16.22","0.0002","90","","101.316","0.001","90","","3655.6","0.08","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H49 B N10 Ni O -","- C31 H49 B N10 Ni O -","- C124 H196 B4 N40 Ni4 O4 -","4","2","","Luff, Martin S.; Walther, Luis; Finze, Maik; Radius, Udo","NHC-ligated nickel(II) cyanoborate complexes and salts.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5391","5400","10.1039/d4dt00231h","","","1.54184","CuKα","","0.0508","0.0456","","","0.1164","0.1198","","","","","","1.029","","","","has coordinates","290978","2024-04-04","23:35:15",""
"7715229","12.7837","0.0001","12.1439","0.0001","17.1982","0.0001","90","","95.899","0.001","90","","2655.78","0.03","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C22 H36 B2 N8 Ni -","- C22 H36 B2 N8 Ni -","- C88 H144 B8 N32 Ni4 -","4","0.5","","Luff, Martin S.; Walther, Luis; Finze, Maik; Radius, Udo","NHC-ligated nickel(II) cyanoborate complexes and salts.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5391","5400","10.1039/d4dt00231h","","","1.54184","CuKα","","0.0277","0.0276","","","0.0711","0.0711","","","","","","1.05","","","","has coordinates","290978","2024-04-04","23:35:15",""
"7715230","10.6146","0.0002","13.8399","0.0003","17.0596","0.0004","88.042","0.002","89.663","0.002","68.476","0.002","2329.95","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H107 B2 Cl2 N17 Ni2 -","- C96 H107 B2 Cl2 N17 Ni2 -","- C96 H107 B2 Cl2 N17 Ni2 -","1","0.5","","Luff, Martin S.; Walther, Luis; Finze, Maik; Radius, Udo","NHC-ligated nickel(II) cyanoborate complexes and salts.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5391","5400","10.1039/d4dt00231h","","","1.54184","CuKα","","0.0458","0.0419","","","0.1132","0.1162","","","","","","1.072","","","","has coordinates,has disorder","290978","2024-04-04","23:35:15",""
"7715231","23.746","0.005","16.124","0.003","21.064","0.004","90","","120.16","0.03","90","","6973","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C74 H111 N2 O8 Pr -","- C74 H108 N2 O8 Pr -","- C296 H432 N8 O32 Pr4 -","4","0.5","","Jiao, Yushu; Sanz, Sergio; Koláčná, Lucie; van Leusen, Jan; Izarova, Natalya V.; Sarwar, Sidra; Ludvík, Jiří; Kögerler, Paul","Coordination-triggered redox activity of early and late lanthanide calix[4]arene complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","4930","4936","10.1039/d3dt03828a","","","0.71073","MoKα","","0.0828","0.0611","","","0.1539","0.1612","","","","","","1.018","","","","has coordinates,has disorder","290968","2024-04-04","23:32:32",""
"7715232","23.831","0.005","16.057","0.003","21.071","0.004","90","","120.42","0.03","90","","6953","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(N(nBu)4)[HoIIIL(acac)2]","","- C74 H111 Ho N2 O8 -","- C74 H108 Ho N2 O8 -","- C296 H432 Ho4 N8 O32 -","4","0.5","","Jiao, Yushu; Sanz, Sergio; Koláčná, Lucie; van Leusen, Jan; Izarova, Natalya V.; Sarwar, Sidra; Ludvík, Jiří; Kögerler, Paul","Coordination-triggered redox activity of early and late lanthanide calix[4]arene complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","4930","4936","10.1039/d3dt03828a","","","0.71073","MoKα","","0.0697","0.0581","","","0.1443","0.1486","","","","","","1.043","","","","has coordinates,has disorder","290968","2024-04-04","23:32:33",""
"7715233","23.79","0.005","16.055","0.003","21.038","0.004","90","","120.4","0.03","90","","6931","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(N(nBu)4)2[ErIIIL(acac)2]","","- C74 H111 Er N2 O8 -","- C74 H108 Er N2 O8 -","- C296 H432 Er4 N8 O32 -","4","0.5","","Jiao, Yushu; Sanz, Sergio; Koláčná, Lucie; van Leusen, Jan; Izarova, Natalya V.; Sarwar, Sidra; Ludvík, Jiří; Kögerler, Paul","Coordination-triggered redox activity of early and late lanthanide calix[4]arene complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","4930","4936","10.1039/d3dt03828a","","","0.71073","MoKα","","0.0657","0.0579","","","0.1454","0.1487","","","","","","1.047","","","","has coordinates,has disorder","290968","2024-04-04","23:32:33",""
"7715234","23.771","0.005","16.145","0.003","21.069","0.004","90","","120.26","0.03","90","","6984","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(N(nBu)4)2[NdIIIL(acac)2]","","- C74 H111 N2 Nd O8 -","- C74 H108 N2 Nd O8 -","- C296 H432 N8 Nd4 O32 -","4","0.5","","Jiao, Yushu; Sanz, Sergio; Koláčná, Lucie; van Leusen, Jan; Izarova, Natalya V.; Sarwar, Sidra; Ludvík, Jiří; Kögerler, Paul","Coordination-triggered redox activity of early and late lanthanide calix[4]arene complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","4930","4936","10.1039/d3dt03828a","","","0.71073","MoKα","","0.1083","0.0697","","","0.1722","0.1848","","","","","","1.035","","","","has coordinates,has disorder","290968","2024-04-04","23:32:33",""
"7715235","67.598","0.014","12.541","0.003","23.425","0.005","90","","103.49","0.03","90","","19311","8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","(N(nBu)4)2[NdIIIL{Mo5O13(OMe)4(NO)}]","","- C83 H144 Cl2 Mo5 N3 Nd O22 -","- C83 H144 Cl2 Mo5 N3 Nd O22 -","- C664 H1152 Cl16 Mo40 N24 Nd8 O176 -","8","1","","Jiao, Yushu; Sanz, Sergio; Koláčná, Lucie; van Leusen, Jan; Izarova, Natalya V.; Sarwar, Sidra; Ludvík, Jiří; Kögerler, Paul","Coordination-triggered redox activity of early and late lanthanide calix[4]arene complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","4930","4936","10.1039/d3dt03828a","","","0.71073","MoKα","","0.0652","0.049","","","0.1218","0.143","","","","","","1.025","","","","has coordinates","290968","2024-04-04","23:32:33",""
"7715236","66.701","0.013","12.581","0.003","23.523","0.005","90","","103.25","0.03","90","","19214","8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","(N(nBu)4)2[ErIIIL{Mo5O13(OMe)4(NO)}]","","- C83 H144 Cl2 Er Mo5 N3 O22 -","- C83 H144 Cl2 Er Mo5 N3 O22 -","- C664 H1152 Cl16 Er8 Mo40 N24 O176 -","8","1","","Jiao, Yushu; Sanz, Sergio; Koláčná, Lucie; van Leusen, Jan; Izarova, Natalya V.; Sarwar, Sidra; Ludvík, Jiří; Kögerler, Paul","Coordination-triggered redox activity of early and late lanthanide calix[4]arene complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","4930","4936","10.1039/d3dt03828a","","","0.71073","MoKα","","0.0898","0.066","","","0.1692","0.1833","","","","","","1.005","","","","has coordinates,has disorder","290968","2024-04-04","23:32:33",""
"7715237","13.4212","0.0007","13.8477","0.0007","17.675","0.0009","93.742","0.003","90.471","0.003","94.259","0.003","3268.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C70.86 H70.86 Al F15 Ga2 N4 -","- C70.858 H70.858 Al F15 Ga2 N4 -","- C141.716 H141.716 Al2 F30 Ga4 N8 -","2","1","","Helling, Christoph; Döhler, Lotta; Kysliak, Oleksandr; Görls, Helmar; Liebing, Phil; Wölper, Christoph; Kretschmer, Robert; Schulz, Stephan","Metal-metal cooperativity boosts Lewis basicity and reduction properties of the bis(gallanediyl) <sup>Cy</sup>L<sub>2</sub>Ga<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","4922","4929","10.1039/d4dt00172a","","","0.71073","MoKα","","0.1075","0.0619","","","0.1257","0.1539","","","","","","1.152","","","","has coordinates,has disorder","290976","2024-04-04","23:34:20",""
"7715238","9.3956","0.0002","19.7798","0.0004","24.2518","0.0005","90","","91.776","0.001","90","","4504.86","0.16","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41.5 H61.5 Ga2 I2 N4 -","- C41.5 H61.5 Ga2 I2 N4 -","- C166 H246 Ga8 I8 N16 -","4","1","","Helling, Christoph; Döhler, Lotta; Kysliak, Oleksandr; Görls, Helmar; Liebing, Phil; Wölper, Christoph; Kretschmer, Robert; Schulz, Stephan","Metal-metal cooperativity boosts Lewis basicity and reduction properties of the bis(gallanediyl) <sup>Cy</sup>L<sub>2</sub>Ga<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","4922","4929","10.1039/d4dt00172a","","","0.71073","MoKα","","0.0527","0.0447","","","0.1158","0.1213","","","","","","1.099","","","","has coordinates,has disorder","290976","2024-04-04","23:34:21",""
"7715239","8.818","0.0009","14.0432","0.0015","16.3175","0.0018","88.348","0.004","82.154","0.004","79.18","0.004","1966.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H58 Cl2 Ga2 N4 -","- C40 H58 Cl2 Ga2 N4 -","- C80 H116 Cl4 Ga4 N8 -","2","1","","Helling, Christoph; Döhler, Lotta; Kysliak, Oleksandr; Görls, Helmar; Liebing, Phil; Wölper, Christoph; Kretschmer, Robert; Schulz, Stephan","Metal-metal cooperativity boosts Lewis basicity and reduction properties of the bis(gallanediyl) <sup>Cy</sup>L<sub>2</sub>Ga<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","4922","4929","10.1039/d4dt00172a","","","0.71073","MoKα","","0.0323","0.0248","","","0.0604","0.0631","","","","","","1.026","","","","has coordinates,has disorder","290976","2024-04-04","23:34:21",""
"7715240","11.361","0.01","11.781","0.011","19.831","0.017","92.67","0.03","94.81","0.03","115.886","0.018","2369","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H80 Ga N4 O2 -","- C50 H80 Ga N4 O2 -","- C100 H160 Ga2 N8 O4 -","2","1","","Helling, Christoph; Döhler, Lotta; Kysliak, Oleksandr; Görls, Helmar; Liebing, Phil; Wölper, Christoph; Kretschmer, Robert; Schulz, Stephan","Metal-metal cooperativity boosts Lewis basicity and reduction properties of the bis(gallanediyl) <sup>Cy</sup>L<sub>2</sub>Ga<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","4922","4929","10.1039/d4dt00172a","","","0.71073","MoKα","","0.0523","0.0366","","","0.0883","0.0964","","","","","","1.063","","","","has coordinates","290976","2024-04-04","23:34:21",""
"7715241","10.264","0.0019","18.797","0.003","22.81","0.004","90","","90","","90","","4400.8","1.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H58 Cl4 Ga2 N4 -","- C40 H58 Cl4 Ga2 N4 -","- C160 H232 Cl16 Ga8 N16 -","4","1","","Helling, Christoph; Döhler, Lotta; Kysliak, Oleksandr; Görls, Helmar; Liebing, Phil; Wölper, Christoph; Kretschmer, Robert; Schulz, Stephan","Metal-metal cooperativity boosts Lewis basicity and reduction properties of the bis(gallanediyl) <sup>Cy</sup>L<sub>2</sub>Ga<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","4922","4929","10.1039/d4dt00172a","","","0.71073","MoKα","","0.0446","0.0312","","","0.0629","0.068","","","","","","1.057","","","","has coordinates","290976","2024-04-04","23:34:21",""
"7715242","20.896","0.003","11.1691","0.0013","16.882","0.0019","90","","108.583","0.004","90","","3734.7","0.8","120","","120","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C38 H65 Ga N4 O2 -","- C38 H65 Ga N4 O2 -","- C152 H260 Ga4 N16 O8 -","4","1","","Helling, Christoph; Döhler, Lotta; Kysliak, Oleksandr; Görls, Helmar; Liebing, Phil; Wölper, Christoph; Kretschmer, Robert; Schulz, Stephan","Metal-metal cooperativity boosts Lewis basicity and reduction properties of the bis(gallanediyl) <sup>Cy</sup>L<sub>2</sub>Ga<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","4922","4929","10.1039/d4dt00172a","","x-ray","0.71073","MoKα","","0.0831","0.081","","","0.2017","0.2049","","","","","","1.029","","","","has coordinates,has disorder","290976","2024-04-04","23:34:21",""
"7715243","43.8013","0.0013","14.123","0.0003","20.2049","0.0005","90","","113.429","0.001","90","","11468.4","0.5","149.9","","150","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C2 H4 K6 N2 Na4 Ni2 O51 Ta10 -","- C2 H4 K6 N2 Na4 Ni2 O51 Ta10 -","- C16 H32 K48 N16 Na32 Ni16 O408 Ta80 -","8","1","","Zhao, Hui; Chen, Hanhan; yang Zhang, Ming; Yang, Yuanyuan; Yang, Zongfei; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","Two binuclear Ni-inserted polyoxotantalates based on {NiTa10O32} units with catalytic activity","Dalton Transactions","2024","53","12","5562","5566","10.1039/D4DT00048J","","","0.71073","MoKα","","0.0645","0.0423","","","0.1091","0.125","","","","","","1.029","","","","has coordinates","290990","2024-04-04","23:39:57",""
"7715244","20.2839","0.0012","14.17","0.0008","27.1565","0.0017","90","","117.159","0.002","90","","6944.8","0.7","150","","150","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- K11 Na4 Ni4 O117 Ta20 -","- K11 Na4 Ni4 O117 Ta20 -","- K22 Na8 Ni8 O234 Ta40 -","2","0.25","","Zhao, Hui; Chen, Hanhan; yang Zhang, Ming; Yang, Yuanyuan; Yang, Zongfei; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","Two binuclear Ni-inserted polyoxotantalates based on {NiTa10O32} units with catalytic activity","Dalton Transactions","2024","53","12","5562","5566","10.1039/D4DT00048J","","","0.71073","MoKα","","0.0861","0.0787","","","0.2332","0.2417","","","","","","1.025","","","","has coordinates","290990","2024-04-04","23:39:57",""
"7715245","9.014","0.0004","9.3643","0.0003","14.785","0.0005","99.294","0.003","104.18","0.003","93.662","0.003","1187.09","0.08","100.01","0.1","100.01","0.1","","","","","","","","2","P -1","-P 1","2","","","","- C31 H34 -","- C31 H34 -","- C62 H68 -","2","1","","Franke, Maurice; Klingsiek, Maximilian J.; Buth, Julian; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Hexadentate poly-Lewis acids based on the bowl-shaped tribenzotriquinacene.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7751","7762","10.1039/d4dt00379a","","x-ray","1.54184","CuKα","","0.0508","0.0419","","","0.1037","0.1109","","","","","","1.037","","","","has coordinates","293106","2024-07-05","16:41:19",""
"7715246","19.0157","0.0003","20.0868","0.0004","19.9871","0.0003","90","","113.226","0.002","90","","7015.6","0.2","100.02","0.1","100.02","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C72.5 H68 Br12 -","- C72.5 H68 Br12 -","- C290 H272 Br48 -","4","1","","Franke, Maurice; Klingsiek, Maximilian J.; Buth, Julian; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Hexadentate poly-Lewis acids based on the bowl-shaped tribenzotriquinacene.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7751","7762","10.1039/d4dt00379a","","x-ray","0.71073","MoKα","","0.0661","0.0388","","","0.0733","0.0818","","","","","","1.015","","","","has coordinates,has disorder","293106","2024-07-05","16:41:20",""
"7715247","27.3971","0.0004","25.3293","0.0003","24.4731","0.0003","90","","99.932","0.001","90","","16728.6","0.4","100","0.1","100","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C82 H102 Si6 -","- C61 H81 Si6 -","- C488 H648 Si48 -","8","1","","Franke, Maurice; Klingsiek, Maximilian J.; Buth, Julian; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Hexadentate poly-Lewis acids based on the bowl-shaped tribenzotriquinacene.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7751","7762","10.1039/d4dt00379a","","x-ray","1.54184","CuKα","","0.1033","0.0979","","","0.288","0.2938","","","","","","1.046","","","","has coordinates,has disorder","293106","2024-07-05","16:41:20",""
"7715248","28.3182","0.0009","25.1639","0.0005","25.1299","0.0007","90","","97.566","0.003","90","","17751.6","0.8","99.99","0.14","99.99","0.14","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C89 H114 Sn6 -","- C89 H114 Sn6 -","- C712 H912 Sn48 -","8","2","","Franke, Maurice; Klingsiek, Maximilian J.; Buth, Julian; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Hexadentate poly-Lewis acids based on the bowl-shaped tribenzotriquinacene.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7751","7762","10.1039/d4dt00379a","","x-ray","0.71073","MoKα","","0.1006","0.0593","","","0.1405","0.1621","","","","","","1.099","","","","has coordinates","293106","2024-07-05","16:41:20",""
"7715249","39.1993","0.0006","22.8491","0.0002","46.9723","0.0007","90","","109.481","0.0016","90","","39663.2","1","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C155 H300 Al6 Si24 -","- C127 H268 Al6 Si24 -","- C1016 H2144 Al48 Si192 -","8","1","","Franke, Maurice; Klingsiek, Maximilian J.; Buth, Julian; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Hexadentate poly-Lewis acids based on the bowl-shaped tribenzotriquinacene.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7751","7762","10.1039/d4dt00379a","","","1.54184","CuKα","","0.0808","0.0705","","","0.1877","0.1972","","","","","","1.047","","","","has coordinates,has disorder","293106","2024-07-05","16:41:20",""
"7715250","17.4659","0.0005","21.6812","0.0006","26.9593","0.0008","105.168","0.002","93.414","0.002","105.343","0.002","9410.8","0.5","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C139 H284 Al6 Si24 -","- C139 H284 Al6 Si24 -","- C278 H568 Al12 Si48 -","2","1","","Franke, Maurice; Klingsiek, Maximilian J.; Buth, Julian; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Hexadentate poly-Lewis acids based on the bowl-shaped tribenzotriquinacene.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7751","7762","10.1039/d4dt00379a","","x-ray","0.71073","MoKα","","0.1088","0.0755","","","0.1703","0.1872","","","","","","1.064","","","","has coordinates,has disorder","293106","2024-07-05","16:41:20",""
"7715251","25.0396","0.0004","25.2861","0.0005","28.1063","0.0005","95.762","0.001","106.883","0.002","118.836","0.002","14290.2","0.6","99.98","0.1","99.98","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C181 H352 Al6 P6 Si27 -","- C151 H322 Al6 P6 Si27 -","- C302 H644 Al12 P12 Si54 -","2","1","","Franke, Maurice; Klingsiek, Maximilian J.; Buth, Julian; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Hexadentate poly-Lewis acids based on the bowl-shaped tribenzotriquinacene.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7751","7762","10.1039/d4dt00379a","","x-ray","0.71073","MoKα","","0.1115","0.0831","","","0.2255","0.2542","","","","","","1.06","","","","has coordinates,has disorder","293106","2024-07-05","16:41:20",""
"7715252","15.662","0.0007","12.2502","0.0005","42.765","0.002","90","","93.497","0.003","90","","8189.7","0.6","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H42 N4 Pd -","- C50 H42 N4 Pd -","- C400 H336 N32 Pd8 -","8","2","","Lv, Xiaojuan; Dong, Yuting; Wu, Jinrong; Jiang, Tao; Chen, Feng; Zhang, Tao; Qiu, Fengxian; Xue, Songlin","Porphyrin(2.1.2.1) organopalladium complexes as efficient singlet oxygen sensitizers.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5979","5984","10.1039/d4dt00143e","","x-ray","1.54178","CuKα","","0.2393","0.1578","","","0.3885","0.4709","","","","","","1.373","","","","has coordinates,has disorder","290935","2024-04-04","23:25:41",""
"7715253","26.8686","0.0007","23.8617","0.0006","14.1565","0.0004","90","","103.247","0.001","90","","8834.7","0.4","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H32 F10 N4 Pd -","- C56 H32 F10 N4 Pd -","- C448 H256 F80 N32 Pd8 -","8","1","","Lv, Xiaojuan; Dong, Yuting; Wu, Jinrong; Jiang, Tao; Chen, Feng; Zhang, Tao; Qiu, Fengxian; Xue, Songlin","Porphyrin(2.1.2.1) organopalladium complexes as efficient singlet oxygen sensitizers.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5979","5984","10.1039/d4dt00143e","","x-ray","0.71073","MoKα","","0.0679","0.0428","","","0.0828","0.1011","","","","","","1.064","","","","has coordinates","290935","2024-04-04","23:25:41",""
"7715254","21.3446","0.0003","19.264","0.0002","25.4589","0.0003","90","","111.179","0.0014","90","","9761.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C208 H212 K0.3 N8 O48 V8 -","- C196 H188 K0.296 N2 O48 V8 -","- C392 H376 K0.592 N4 O96 V16 -","2","0.5","","Glenister, Mollie A.; Frese, Josef W. A.; Elsegood, Mark R. J.; Canaj, Angelos B.; Brechin, Euan K.; Redshaw, Carl","Reaction of Ph<sub>2</sub>C(X)(CO<sub>2</sub>H) (X = OH, NH<sub>2</sub>) with [VO(OR)<sub>3</sub>] (R = Et, <i>n</i>Pr): structure, magnetic susceptibility and ROP capability.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5351","5355","10.1039/d4dt00078a","","","1.54178","CuKα","","0.0887","0.0692","","","0.1939","0.2122","","","","","","1.027","","","","has coordinates,has disorder","290979","2024-04-04","23:35:54",""
"7715255","21.378","0.003","19.274","0.003","25.446","0.004","90","","111.554","0.002","90","","9752","3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C206 H209 K0.2 N7 O48 V8 -","- C198 H197 K0.198 N3 O48 V8 -","- C396 H394 K0.396 N6 O96 V16 -","2","0.5","","Glenister, Mollie A.; Frese, Josef W. A.; Elsegood, Mark R. J.; Canaj, Angelos B.; Brechin, Euan K.; Redshaw, Carl","Reaction of Ph<sub>2</sub>C(X)(CO<sub>2</sub>H) (X = OH, NH<sub>2</sub>) with [VO(OR)<sub>3</sub>] (R = Et, <i>n</i>Pr): structure, magnetic susceptibility and ROP capability.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5351","5355","10.1039/d4dt00078a","","","0.6943","Synchrotron","","0.1187","0.0791","","","0.2133","0.2534","","","","","","1.024","","","","has coordinates,has disorder","290979","2024-04-04","23:35:54",""
"7715256","21.1654","0.0011","19.0447","0.0011","25.1144","0.0015","90","","110.027","0.006","90","","9511.2","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C200 H200 N4 Na0.77 O48 V8 -","- C192 H188 Na0.77 O48 V8 -","- C384 H376 Na1.54 O96 V16 -","2","0.5","","Glenister, Mollie A.; Frese, Josef W. A.; Elsegood, Mark R. J.; Canaj, Angelos B.; Brechin, Euan K.; Redshaw, Carl","Reaction of Ph<sub>2</sub>C(X)(CO<sub>2</sub>H) (X = OH, NH<sub>2</sub>) with [VO(OR)<sub>3</sub>] (R = Et, <i>n</i>Pr): structure, magnetic susceptibility and ROP capability.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5351","5355","10.1039/d4dt00078a","","","1.54178","CuKα","","0.1699","0.1501","","","0.4097","0.4286","","","","","","1.04","","","","has coordinates,has disorder","290979","2024-04-04","23:35:54",""
"7715257","21.41","0.0002","19.24118","0.00015","25.413","0.0003","90","","111.117","0.0012","90","","9765.95","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C204.77 H207.15 N6.38 Na0.45 O48 V8 -","- C198.772 H198.158 N3.386 Na0.449 O48 V8 -","- C397.544 H396.316 N6.772 Na0.898 O96 V16 -","2","0.5","","Glenister, Mollie A.; Frese, Josef W. A.; Elsegood, Mark R. J.; Canaj, Angelos B.; Brechin, Euan K.; Redshaw, Carl","Reaction of Ph<sub>2</sub>C(X)(CO<sub>2</sub>H) (X = OH, NH<sub>2</sub>) with [VO(OR)<sub>3</sub>] (R = Et, <i>n</i>Pr): structure, magnetic susceptibility and ROP capability.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5351","5355","10.1039/d4dt00078a","","","1.54178","CuKα","","0.0827","0.0717","","","0.2077","0.219","","","","","","1.036","","","","has coordinates,has disorder","290979","2024-04-04","23:35:54",""
"7715258","21.5339","0.0003","36.8417","0.0006","25.4428","0.0004","90","","108.623","0.002","90","","19128.1","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C191.5 H183.25 N3.75 Na0.74 O48 V8 -","- C191.5 H183.25 N3.75 Na0.744 O48 V8 -","- C766 H733 N15 Na2.976 O192 V32 -","4","1","","Glenister, Mollie A.; Frese, Josef W. A.; Elsegood, Mark R. J.; Canaj, Angelos B.; Brechin, Euan K.; Redshaw, Carl","Reaction of Ph<sub>2</sub>C(X)(CO<sub>2</sub>H) (X = OH, NH<sub>2</sub>) with [VO(OR)<sub>3</sub>] (R = Et, <i>n</i>Pr): structure, magnetic susceptibility and ROP capability.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5351","5355","10.1039/d4dt00078a","","","1.54178","CuKα","","0.1373","0.1059","","","0.2963","0.3239","","","","","","1.028","","","","has coordinates,has disorder","290979","2024-04-04","23:35:54",""
"7715259","21.392","0.004","19.182","0.003","25.315","0.005","90","","110.694","0.002","90","","9718","3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C208 H212 N8 Na0.75 O48 V8 -","- C196 H194 N2 Na0.75 O48 V8 -","- C392 H388 N4 Na1.5 O96 V16 -","2","0.5","","Glenister, Mollie A.; Frese, Josef W. A.; Elsegood, Mark R. J.; Canaj, Angelos B.; Brechin, Euan K.; Redshaw, Carl","Reaction of Ph<sub>2</sub>C(X)(CO<sub>2</sub>H) (X = OH, NH<sub>2</sub>) with [VO(OR)<sub>3</sub>] (R = Et, <i>n</i>Pr): structure, magnetic susceptibility and ROP capability.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5351","5355","10.1039/d4dt00078a","","","0.6904","synchrotron","","0.1668","0.1066","","","0.2962","0.353","","","","","","1.023","","","","has coordinates,has disorder","290979","2024-04-04","23:35:54",""
"7715260","11.9119","0.0009","15.6223","0.0012","19.5264","0.0015","90","","90","","90","","3633.7","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H44 N2 O10 V2 -","- C36 H44 N2 O10 V2 -","- C144 H176 N8 O40 V8 -","4","0.5","","Glenister, Mollie A.; Frese, Josef W. A.; Elsegood, Mark R. J.; Canaj, Angelos B.; Brechin, Euan K.; Redshaw, Carl","Reaction of Ph<sub>2</sub>C(X)(CO<sub>2</sub>H) (X = OH, NH<sub>2</sub>) with [VO(OR)<sub>3</sub>] (R = Et, <i>n</i>Pr): structure, magnetic susceptibility and ROP capability.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5351","5355","10.1039/d4dt00078a","","","0.71073","MoKα","","0.0511","0.0412","","","0.1041","0.1094","","","","","","1.055","","","","has coordinates","290979","2024-04-04","23:35:54",""
"7715261","11.7706","0.0006","12.4661","0.0006","16.8513","0.0009","74.0119","0.0008","83.5385","0.0008","72.0988","0.0008","2260.9","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H58 N4 O10 V2 -","- C44 H58 N4 O10 V2 -","- C88 H116 N8 O20 V4 -","2","1","","Glenister, Mollie A.; Frese, Josef W. A.; Elsegood, Mark R. J.; Canaj, Angelos B.; Brechin, Euan K.; Redshaw, Carl","Reaction of Ph<sub>2</sub>C(X)(CO<sub>2</sub>H) (X = OH, NH<sub>2</sub>) with [VO(OR)<sub>3</sub>] (R = Et, <i>n</i>Pr): structure, magnetic susceptibility and ROP capability.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5351","5355","10.1039/d4dt00078a","","","0.71073","MoKα","","0.0504","0.0388","","","0.1024","0.1091","","","","","","1.046","","","","has coordinates","290979","2024-04-04","23:35:54",""
"7715262","16.781","0.002","21.602","0.003","22.461","0.003","90","","103.077","0.002","90","","7931","1.8","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C57.1 H50.46 Mg4 O23.12 -","- C57.102 H50.454 Mg4 O23.125 -","- C228.408 H201.816 Mg16 O92.5 -","4","1","","Li, Liangjun; Zhang, Xu; Xu, Wenli; Guo, Mengwei; Liu, Qingying; Li, Fangru; Liu, Tao; Xing, Tao; Li, Zhi; Wang, Mingqing; Wu, Mingbo","Contracting pore channels of a magnesium-based metal-organic framework by decorating methyl groups for effective Xe/Kr separation.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5917","5921","10.1039/d3dt04001a","","","0.71073","MoKα","","0.1128","0.0574","","","0.124","0.1399","","","","","","0.832","","","","has coordinates,has disorder","290938","2024-04-04","23:26:14",""
"7715263","10.845","0.0006","11.8133","0.0007","17.1597","0.0009","86.824","0.002","82.482","0.002","73.339","0.002","2087.6","0.2","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C37.1 H38.4 F12 N6 O3.1 P2 Ru -","- C35 H30 F12 N6 O P2 Ru -","- C70 H60 F24 N12 O2 P4 Ru2 -","2","1","","Zhang, Wanqing; Chen, Weibin; Fu, Fengfu; Li, Mei-Jin","Mitochondria-targeted ruthenium(II) complexes for photodynamic therapy and GSH detection in living cells.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5957","5965","10.1039/d3dt03701k","","","0.71073","MoKα","","0.0602","0.0532","","","0.1277","0.1353","","","","","","1.042","","","","has coordinates,has disorder","290941","2024-04-04","23:26:54",""
"7715264","9.902","0.0017","12.91","0.002","18.288","0.003","88.353","0.005","74.769","0.005","87.246","0.005","2252.8","0.6","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H36.4 F12 N6 O2.2 P2 Ru -","- C44 H34 F12 N6 O P2 Ru -","- C88 H68 F24 N12 O2 P4 Ru2 -","2","1","","Zhang, Wanqing; Chen, Weibin; Fu, Fengfu; Li, Mei-Jin","Mitochondria-targeted ruthenium(II) complexes for photodynamic therapy and GSH detection in living cells.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5957","5965","10.1039/d3dt03701k","","","0.71073","MoKα","","0.1112","0.0644","","","0.1667","0.2204","","","","","","1.141","","","","has coordinates","290941","2024-04-04","23:26:54",""
"7715265","14.6739","0.001","21.6181","0.0012","29.0977","0.0016","90","","91.273","0.002","90","","9228.1","1","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C105 H96 Cu4 F6 N3 P5 -","- C105 H96 Cu4 F6 N3 P5 -","- C420 H384 Cu16 F24 N12 P20 -","4","1","","Huang, Qiu-Qin; Lin, Yan-Yan; Wang, Yu-Ling; Qi, Jia Yuan; Fu, FengFu; Wei, Qiao-Hua","Pargyline-phosphine copper(I) clusters with tunable emission for light-emitting devices.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5844","5850","10.1039/d4dt00022f","","","0.71073","MoKα","","0.0724","0.0642","","","0.1783","0.1858","","","","","","1.029","","","","has coordinates,has disorder","290930","2024-04-04","23:23:35",""
"7715266","12.8999","0.0003","13.6888","0.0007","14.8392","0.0004","114.682","0.002","93.739","0.001","106.556","0.001","2230.63","0.15","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C90 H80 Ag6 N6 O15 P2 S6 -","- C90 H80 Ag6 N6 O15 P2 S6 -","- C90 H80 Ag6 N6 O15 P2 S6 -","1","0.5","","Huang, Qiu-Qin; Lin, Yan-Yan; Wang, Yu-Ling; Qi, Jia Yuan; Fu, FengFu; Wei, Qiao-Hua","Pargyline-phosphine copper(I) clusters with tunable emission for light-emitting devices.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5844","5850","10.1039/d4dt00022f","","","1.54178","CuKα","","0.0481","0.0474","","","0.1288","0.1294","","","","","","1.056","","","","has coordinates,has disorder","290930","2024-04-04","23:23:35",""
"7715267","14.5135","0.0001","14.8028","0.0001","26.8559","0.0002","74.658","0.001","78.79","0.001","72.025","0.001","5252.41","0.07","100","0.1","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C112.5 H105 Cl Cu6 F12 N8 P6 -","- C112.5 H105 Cl Cu6 F12 N8 P6 -","- C225 H210 Cl2 Cu12 F24 N16 P12 -","2","1","","Huang, Qiu-Qin; Lin, Yan-Yan; Wang, Yu-Ling; Qi, Jia Yuan; Fu, FengFu; Wei, Qiao-Hua","Pargyline-phosphine copper(I) clusters with tunable emission for light-emitting devices.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5844","5850","10.1039/d4dt00022f","","","0.71073","MoKα","","0.066","0.0563","","","0.1555","0.1624","","","","","","1.057","","","","has coordinates,has disorder","290930","2024-04-04","23:23:35",""
"7715268","7.67654","0.00007","15.58666","0.00016","10.82025","0.00011","90","","96.3532","0.0009","90","","1286.71","0.02","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 N11 O8 -","- C7 H7 N11 O8 -","- C28 H28 N44 O32 -","4","1","","Parakhin, Vladimir V.; Pokhvisneva, Galina V.; Shlykova, Nina I.; Samigullina, Aida I.; Nikitin, Sergei V.; Smirnov, Gennady A.; Gordeev, Pavel B.; Kon'kova, Tatyana S.; Lempert, David B.; Pivkina, Alla N.","Highly energetic <i>N</i>-cyano-substituted CL-20 analogues: challenging the stability limits of polynitro hexaazaisowurtzitanes.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","6100","6111","10.1039/d3dt04203k","","x-ray","1.54184","CuKα","","0.0315","0.0303","","","0.0769","0.0779","","","","","","1.031","","","","has coordinates","290927","2024-04-04","23:22:40",""
"7715269","7.78897","0.00007","13.33467","0.00014","13.4304","0.00012","90","","93.7723","0.0008","90","","1391.9","0.02","100","0.3","100","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 N12 O8 -","- C8 H6 N12 O8 -","- C32 H24 N48 O32 -","4","1","","Parakhin, Vladimir V.; Pokhvisneva, Galina V.; Shlykova, Nina I.; Samigullina, Aida I.; Nikitin, Sergei V.; Smirnov, Gennady A.; Gordeev, Pavel B.; Kon'kova, Tatyana S.; Lempert, David B.; Pivkina, Alla N.","Highly energetic <i>N</i>-cyano-substituted CL-20 analogues: challenging the stability limits of polynitro hexaazaisowurtzitanes.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","6100","6111","10.1039/d3dt04203k","","x-ray","1.54184","CuKα","","0.0317","0.031","","","0.0784","0.0789","","","","","","1.042","","","","has coordinates","290927","2024-04-04","23:22:40",""
"7715270","13.5629","0.0004","8.4701","0.0003","17.2484","0.0005","90","","109.891","0.003","90","","1863.27","0.11","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 N14 O14 -","- C9 H8 N14 O14 -","- C36 H32 N56 O56 -","4","1","","Parakhin, Vladimir V.; Pokhvisneva, Galina V.; Shlykova, Nina I.; Samigullina, Aida I.; Nikitin, Sergei V.; Smirnov, Gennady A.; Gordeev, Pavel B.; Kon'kova, Tatyana S.; Lempert, David B.; Pivkina, Alla N.","Highly energetic <i>N</i>-cyano-substituted CL-20 analogues: challenging the stability limits of polynitro hexaazaisowurtzitanes.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","6100","6111","10.1039/d3dt04203k","","x-ray","1.54184","CuKα","","0.0446","0.0374","","","0.0902","0.1002","","","","","","1.077","","","","has coordinates","290927","2024-04-04","23:22:40",""
"7715271","13.5373","0.0003","7.8765","0.0002","32.0668","0.0008","90","","90","","90","","3419.17","0.14","99.99","0.1","99.99","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H9 N13 O10 -","- C9 H9 N13 O10 -","- C72 H72 N104 O80 -","8","2","","Parakhin, Vladimir V.; Pokhvisneva, Galina V.; Shlykova, Nina I.; Samigullina, Aida I.; Nikitin, Sergei V.; Smirnov, Gennady A.; Gordeev, Pavel B.; Kon'kova, Tatyana S.; Lempert, David B.; Pivkina, Alla N.","Highly energetic <i>N</i>-cyano-substituted CL-20 analogues: challenging the stability limits of polynitro hexaazaisowurtzitanes.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","6100","6111","10.1039/d3dt04203k","","x-ray","1.54184","CuKα","","0.0557","0.0554","","","0.1509","0.1511","","","","","","1.091","","","","has coordinates,has disorder","290927","2024-04-04","23:22:40",""
"7715272","10.4654","0.0001","11.0754","0.0001","18.2679","0.0002","90","","101.564","0.001","90","","2074.42","0.04","120.01","0.1","120.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Zn2(triaz)4","","- C32 H72 N12 Zn2 -","- C32 H72 N12 Zn2 -","- C64 H144 N24 Zn4 -","2","0.5","","Samii, Rouzbeh; Barkas, Essi; Zanders, David; Fransson, Anton; Lahtinen, Manu; Kessler, Vadim; Tuononen, Heikki M.; Moilanen, Jani O.; O'Brien, Nathan J","Synthesis, characterisation and reactivity of a zinc triazenide for potential use in vapour deposition.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5911","5916","10.1039/d4dt00084f","","","1.54184","CuKα","","0.0326","0.0281","","","0.0704","0.0737","","","","","","1.051","","","","has coordinates","290933","2024-04-04","23:25:23",""
"7715273","10.986","0.005","11.629","0.006","31.308","0.015","90","","90","","90","","4000","3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Zn(SSiPh3)2TMEDA","","- C42 H46 N2 S2 Si2 Zn -","- C42 H44 N2 S2 Si2 Zn -","- C168 H176 N8 S8 Si8 Zn4 -","4","1","","Samii, Rouzbeh; Barkas, Essi; Zanders, David; Fransson, Anton; Lahtinen, Manu; Kessler, Vadim; Tuononen, Heikki M.; Moilanen, Jani O.; O'Brien, Nathan J","Synthesis, characterisation and reactivity of a zinc triazenide for potential use in vapour deposition.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5911","5916","10.1039/d4dt00084f","","","0.71073","MoKα","","0.028","0.026","","","0.0622","0.0629","","","","","","1.045","","","","has coordinates,has disorder","290933","2024-04-04","23:25:23",""
"7715274","17.7677","0.0002","19.2739","0.0002","16.2548","0.0002","90","","106.723","0.001","90","","5331.08","0.11","120.01","0.1","120.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Zn2(triaz)2(SSiPh3)2","","- C52 H66 N6 S2 Si2 Zn2 -","- C52 H66 N6 S2 Si2 Zn2 -","- C208 H264 N24 S8 Si8 Zn8 -","4","1","","Samii, Rouzbeh; Barkas, Essi; Zanders, David; Fransson, Anton; Lahtinen, Manu; Kessler, Vadim; Tuononen, Heikki M.; Moilanen, Jani O.; O'Brien, Nathan J","Synthesis, characterisation and reactivity of a zinc triazenide for potential use in vapour deposition.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5911","5916","10.1039/d4dt00084f","","x-ray","1.54184","CuKα","","0.0385","0.0308","","","0.076","0.0803","","","","","","1.03","","","","has coordinates,has disorder","290933","2024-04-04","23:25:23",""
"7715275","19.3116","0.0015","24.5754","0.0019","16.7833","0.0011","90","","106.051","0.002","90","","7654.7","1","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H39 Cl2 N O Ru -","- C39 H39 Cl2 N O Ru -","- C312 H312 Cl16 N8 O8 Ru8 -","8","2","","Talcik, Jakub; Serrato, Melinda R.; Del Vecchio, Antonio; Colombel-Rouen, Sophie; Morvan, Jennifer; Roisnel, Thierry; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy; Mauduit, Marc","Cyclic (amino)(barrelene)carbene Ru-complexes: synthesis and reactivity in olefin metathesis.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5346","5350","10.1039/d4dt00102h","","x-ray","0.71073","MoKα","","0.1074","0.0819","","","0.1911","0.2096","","","","","","1","","","","has coordinates","290985","2024-04-04","23:38:49",""
"7715276","17.4523","0.0005","18.7939","0.0004","20.0698","0.0006","90","","90","","90","","6582.8","0.3","150","2","150","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C39 H38 Cl2 N2 O3 Ru -","- C39 H38 Cl2 N2 O3 Ru -","- C312 H304 Cl16 N16 O24 Ru8 -","8","1","","Talcik, Jakub; Serrato, Melinda R.; Del Vecchio, Antonio; Colombel-Rouen, Sophie; Morvan, Jennifer; Roisnel, Thierry; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy; Mauduit, Marc","Cyclic (amino)(barrelene)carbene Ru-complexes: synthesis and reactivity in olefin metathesis.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5346","5350","10.1039/d4dt00102h","","x-ray","0.71073","MoKα","","0.0267","0.0244","","","0.0645","0.0659","","","","","","1.064","","","","has coordinates","290985","2024-04-04","23:38:50",""
"7715277","11.759","0.002","16.076","0.003","18.341","0.003","110.149","0.006","96.057","0.006","90.84","0.006","3231.9","1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H37 Cl4 N O Ru -","- C34 H37 Cl4 N O Ru -","- C136 H148 Cl16 N4 O4 Ru4 -","4","2","","Talcik, Jakub; Serrato, Melinda R.; Del Vecchio, Antonio; Colombel-Rouen, Sophie; Morvan, Jennifer; Roisnel, Thierry; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy; Mauduit, Marc","Cyclic (amino)(barrelene)carbene Ru-complexes: synthesis and reactivity in olefin metathesis.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5346","5350","10.1039/d4dt00102h","","x-ray","0.71073","MoKα","K-L~3~","0.0385","0.029","","","0.0637","0.0683","","","","","","1.034","","","","has coordinates","290985","2024-04-04","23:38:50",""
"7715278","18.6545","0.0012","16.0577","0.0013","23.8797","0.0016","90","","90","","90","","7153.1","0.9","150","2","150","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C41 H45 Cl4 N O Ru -","- C41 H45 Cl4 N O Ru -","- C328 H360 Cl32 N8 O8 Ru8 -","8","1","","Talcik, Jakub; Serrato, Melinda R.; Del Vecchio, Antonio; Colombel-Rouen, Sophie; Morvan, Jennifer; Roisnel, Thierry; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy; Mauduit, Marc","Cyclic (amino)(barrelene)carbene Ru-complexes: synthesis and reactivity in olefin metathesis.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5346","5350","10.1039/d4dt00102h","","x-ray","0.71073","MoKα","","0.1394","0.0576","","","0.1029","0.1307","","","","","","0.991","","","","has coordinates","290985","2024-04-04","23:38:50",""
"7715279","12.2592","0.0011","14.898","0.0013","19.906","0.002","90","","99.104","0.004","90","","3589.8","0.6","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H33 Cl2 N O Ru -","- C36 H33 Cl2 N O Ru -","- C144 H132 Cl8 N4 O4 Ru4 -","4","1","","Talcik, Jakub; Serrato, Melinda R.; Del Vecchio, Antonio; Colombel-Rouen, Sophie; Morvan, Jennifer; Roisnel, Thierry; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy; Mauduit, Marc","Cyclic (amino)(barrelene)carbene Ru-complexes: synthesis and reactivity in olefin metathesis.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5346","5350","10.1039/d4dt00102h","","x-ray","0.71073","MoKα","","0.043","0.0334","","","0.0813","0.0874","","","","","","1.051","","","","has coordinates","290985","2024-04-04","23:38:50",""
"7715280","10.9048","0.0002","16.0127","0.0004","17.494","0.0004","76.289","0.002","81.11","0.002","70.345","0.002","2785.4","0.11","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C59 H60.5 Cu F6 N2 O2.25 P3 -","- C59 H60.5 Cu F6 N2 O2.25 P3 -","- C118 H121 Cu2 F12 N4 O4.5 P6 -","2","1","","Meyer, Marco; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Introducing sterically demanding substituents and π-π-interactions into [Cu(P^P)(N^N)]<sup>+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5453","5465","10.1039/d4dt00276h","","x-ray","1.34143","GaKα","","0.0558","0.0548","","","0.16","0.1613","","","","","","1.04","","","","has coordinates,has disorder","290981","2024-04-04","23:37:59",""
"7715281","9.6663","0.0002","18.8768","0.0006","27.6792","0.0006","90","","94.976","0.002","90","","5031.6","0.2","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C53.5 H51 Cl Cu F6 N2 O P3 -","- C53 H50 Cu F6 N2 O P3 -","- C212 H200 Cu4 F24 N8 O4 P12 -","4","1","","Meyer, Marco; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Introducing sterically demanding substituents and π-π-interactions into [Cu(P^P)(N^N)]<sup>+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5453","5465","10.1039/d4dt00276h","","x-ray","1.54186","CuKα","","0.0477","0.0468","","","0.1263","0.1271","","","","","","1.029","","","","has coordinates","290981","2024-04-04","23:37:59",""
"7715282","9.9285","0.0003","14.8219","0.0004","19.2356","0.0006","99.235","0.002","93.135","0.002","106.725","0.002","2660.53","0.14","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C57.4 H50.3 Cl0.8 Cu F6 N2 O1.75 P3 -","- C57.4 H50.3 Cl0.8 Cu F6 N2 O1.75 P3 -","- C114.8 H100.6 Cl1.6 Cu2 F12 N4 O3.5 P6 -","2","1","","Meyer, Marco; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Introducing sterically demanding substituents and π-π-interactions into [Cu(P^P)(N^N)]<sup>+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5453","5465","10.1039/d4dt00276h","","x-ray","1.54186","CuKα","","0.0777","0.0763","","","0.2192","0.2208","","","","","","1.044","","","","has coordinates,has disorder","290981","2024-04-04","23:37:59",""
"7715283","11.1704","0.0002","15.2169","0.0003","18.9218","0.0003","113.44","0.001","90.865","0.001","109.87","0.001","2732.78","0.09","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C59.2 H61.6 Cu F6 N2 O1.8 P3 -","- C59.2 H61.6 Cu F6 N2 O1.8 P3 -","- C118.4 H123.2 Cu2 F12 N4 O3.6 P6 -","2","1","","Meyer, Marco; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Introducing sterically demanding substituents and π-π-interactions into [Cu(P^P)(N^N)]<sup>+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5453","5465","10.1039/d4dt00276h","","x-ray","1.54186","CuKα","","0.0759","0.0732","","","0.1993","0.2025","","","","","","1.071","","","","has coordinates,has disorder","290981","2024-04-04","23:37:59",""
"7715284","47.5822","0.0007","10.7647","0.0002","23.4775","0.0004","90","","115.886","0.001","90","","10818.8","0.3","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C59 H53 Cu F6 N2 O1.5 P3 -","- C59 H53 Cu F6 N2 O1.5 P3 -","- C472 H424 Cu8 F48 N16 O12 P24 -","8","1","","Meyer, Marco; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Introducing sterically demanding substituents and π-π-interactions into [Cu(P^P)(N^N)]<sup>+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5453","5465","10.1039/d4dt00276h","","x-ray","1.54186","CuKα","","0.0756","0.0728","","","0.2031","0.2071","","","","","","1.052","","","","has coordinates","290981","2024-04-04","23:37:59",""
"7715285","11.1961","0.0002","13.9132","0.0003","19.7956","0.0004","78.071","0.002","80.439","0.002","67.579","0.002","2775.96","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H56 Cu F6 N2 O P3 -","- C64 H56 Cu F6 N2 O P3 -","- C128 H112 Cu2 F12 N4 O2 P6 -","2","1","","Meyer, Marco; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Introducing sterically demanding substituents and π-π-interactions into [Cu(P^P)(N^N)]<sup>+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5453","5465","10.1039/d4dt00276h","","x-ray","0.71073","MoKα","","0.0578","0.0383","","","0.0967","0.1054","","","","","","1.018","","","","has coordinates","290981","2024-04-04","23:37:59",""
"7715286","11.1103","0.0004","15.0046","0.0005","18.8034","0.0006","112.692","0.002","91.288","0.003","110.119","0.003","2671.6","0.18","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C61.2 H58 Cu F6 N2 O1.8 P3 -","- C58 H50 Cu F6 N2 O P3 -","- C116 H100 Cu2 F12 N4 O2 P6 -","2","1","","Meyer, Marco; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Introducing sterically demanding substituents and π-π-interactions into [Cu(P^P)(N^N)]<sup>+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5453","5465","10.1039/d4dt00276h","","x-ray","1.34143","1.3401270,1.34GaKα","","0.0992","0.0772","","","0.2028","0.2166","","","","","","1.046","","","","has coordinates,has disorder","290981","2024-04-04","23:37:59",""
"7715287","11.1185","0.0002","15.4476","0.0003","18.7346","0.0004","111.777","0.002","92.067","0.002","110.669","0.001","2743.64","0.11","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C63 H69 Cu F6 N2 O2.5 P3 -","- C57 H54 Cu F6 N2 O P3 -","- C114 H108 Cu2 F12 N4 O2 P6 -","2","1","","Meyer, Marco; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Introducing sterically demanding substituents and π-π-interactions into [Cu(P^P)(N^N)]<sup>+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5453","5465","10.1039/d4dt00276h","","x-ray","1.54186","CuKα","","0.1396","0.1261","","","0.26","0.2708","","","","","","0.912","","","","has coordinates,has disorder","290981","2024-04-04","23:37:59",""
"7715288","19.4572","0.0003","24.5273","0.0003","20.2217","0.0004","90","","90","","90","","9650.5","0.3","150","","150","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C53 H50 Cu F6 N2 O P3 -","- C53 H50 Cu F6 N2 O P3 -","- C424 H400 Cu8 F48 N16 O8 P24 -","8","1","","Meyer, Marco; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Introducing sterically demanding substituents and π-π-interactions into [Cu(P^P)(N^N)]<sup>+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5453","5465","10.1039/d4dt00276h","","x-ray","1.54186","CuKα","","0.0643","0.0574","","","0.1506","0.1643","","","","","","1.085","","","","has coordinates","290981","2024-04-04","23:37:59",""
"7715289","11.9248","0.0002","12.5855","0.0002","18.3632","0.0003","83.142","0.001","77.571","0.001","85.196","0.001","2667.3","0.08","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C65 H56 Cu F6 N2 O P3 -","- C65 H56 Cu F6 N2 O P3 -","- C130 H112 Cu2 F12 N4 O2 P6 -","2","1","","Meyer, Marco; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Introducing sterically demanding substituents and π-π-interactions into [Cu(P^P)(N^N)]<sup>+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5453","5465","10.1039/d4dt00276h","","x-ray","1.54186","CuKα","","0.0583","0.0552","","","0.1571","0.1637","","","","","","1.138","","","","has coordinates","290981","2024-04-04","23:37:59",""
"7715290","9.6732","0.0003","16.9223","0.0004","29.1542","0.0009","90","","95.071","0.003","90","","4753.7","0.2","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H46 Cu F6 N2 O P3 -","- C55 H46 Cu F6 N2 O P3 -","- C220 H184 Cu4 F24 N8 O4 P12 -","4","1","","Meyer, Marco; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Introducing sterically demanding substituents and π-π-interactions into [Cu(P^P)(N^N)]<sup>+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5453","5465","10.1039/d4dt00276h","","x-ray","1.34143","GaKα","","0.1197","0.0749","","","0.1853","0.2099","","","","","","0.974","","","","has coordinates","290981","2024-04-04","23:37:59",""
"7715291","15.0492","0.0004","12.363","0.0002","27.1473","0.0007","90","","90.068","0.002","90","","5050.8","0.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H72 Cu F6 N4 P -","- C52 H72 Cu F6 N4 P -","- C208 H288 Cu4 F24 N16 P4 -","4","1","","Meyer, Marco; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Introducing sterically demanding substituents and π-π-interactions into [Cu(P^P)(N^N)]<sup>+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5453","5465","10.1039/d4dt00276h","","x-ray","1.54186","CuKα","","0.1058","0.0882","","","0.1794","0.1961","","","","","","0.992","","","","has coordinates,has disorder","290981","2024-04-04","23:37:59",""
"7715292","18.1906","0.0003","18.7096","0.0003","18.9","0.0003","85.97","0.001","66.962","0.001","89.875","0.001","5902.51","0.17","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C66.5 H63.25 Cu F6 N2 O2.13 P3 -","- C65 H59.5 Cu F6 N2 O1.75 P3 -","- C260 H238 Cu4 F24 N8 O7 P12 -","4","2","","Meyer, Marco; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Introducing sterically demanding substituents and π-π-interactions into [Cu(P^P)(N^N)]<sup>+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5453","5465","10.1039/d4dt00276h","","x-ray","1.54186","CuKα","","0.1401","0.1074","","","0.2457","0.2775","","","","","","1.043","","","","has coordinates","290981","2024-04-04","23:37:59",""
"7715293","17.523","0.0013","7.3379","0.0005","4.9433","0.0004","90","","90","","90","","635.62","0.08","293","","293","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- Ca16.25 Cr4 F2 Li1.51 N16 -","- Ca16.246 Cr4 F2 Li1.508 N16 -","- Ca16.246 Cr4 F2 Li1.508 N16 -","1","0.125","","Gloriozova, Natalia; Prots, Yurii; Krnel, Mitja; Burkhardt, Ulrich; Schmidt, Marcus; Ormeci, Alim; Jach, Franziska; Höhn, Peter; Grin, Yuri","Nitridochromate(IV) fluoride - LiCa<sub>8</sub>[CrN<sub>3</sub>]<sub>2</sub>N<sub>2</sub>F.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5827","5835","10.1039/d4dt00283k","","x-ray","0.71073","MoKα","","0.0358","0.0302","","","0.0699","0.0729","","","","","","1.107","","","","has coordinates","290934","2024-04-04","23:25:29",""
"7715294","11.0316","0.0002","20.0004","0.0003","16.3232","0.0003","90","","96.9761","0.0019","90","","3574.83","0.11","150","2","150","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48 H46 Rh2 -","- C48 H46 Rh2 -","- C192 H184 Rh8 -","4","1","","Sanderson, Hugh J.; Kociok-Köhn, Gabriele; McMullin, Claire L.; Hintermair, Ulrich","Twinned <i>versus</i> linked organometallics - bimetallic ""half-baguette"" pentalenide complexes of Rh(I).","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5881","5899","10.1039/d3dt04325h","","x-ray","0.71073","MoKα","","0.0363","0.0308","","","0.0768","0.0801","","","","","","1.055","","","","has coordinates","290929","2024-04-04","23:23:20",""
"7715295","10.72484","0.00018","15.12621","0.00019","26.3385","0.0004","90","","96.9831","0.0015","90","","4241.1","0.11","150","2","150","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C54 H54 O2 Rh2 -","- C54 H54 O2 Rh2 -","- C216 H216 O8 Rh8 -","4","0.5","","Sanderson, Hugh J.; Kociok-Köhn, Gabriele; McMullin, Claire L.; Hintermair, Ulrich","Twinned <i>versus</i> linked organometallics - bimetallic ""half-baguette"" pentalenide complexes of Rh(I).","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5881","5899","10.1039/d3dt04325h","","x-ray","1.54184","CuKα","","0.0897","0.0893","","","0.2285","0.2288","","","","","","1.147","","","","has coordinates,has disorder","290929","2024-04-04","23:23:20",""
"7715296","10.4071","0.0002","18.5544","0.0005","19.0926","0.0004","90","","103.209","0.002","90","","3589.19","0.14","150","2","150","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48 H46 Ir2 -","- C48 H46 Ir2 -","- C192 H184 Ir8 -","4","1","","Sanderson, Hugh J.; Kociok-Köhn, Gabriele; McMullin, Claire L.; Hintermair, Ulrich","Twinned <i>versus</i> linked organometallics - bimetallic ""half-baguette"" pentalenide complexes of Rh(I).","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5881","5899","10.1039/d3dt04325h","","x-ray","0.71073","MoKα","","0.0414","0.032","","","0.0636","0.0676","","","","","","1.075","","","","has coordinates","290929","2024-04-04","23:23:20",""
"7715297","11.45331","0.00012","11.67087","0.00014","16.3454","0.0002","70.0281","0.0012","85.1666","0.001","76.5215","0.001","1996.91","0.04","150","2","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C48 H54 O4 Rh2 -","- C48 H54 O4 Rh2 -","- C96 H108 O8 Rh4 -","2","1","","Sanderson, Hugh J.; Kociok-Köhn, Gabriele; McMullin, Claire L.; Hintermair, Ulrich","Twinned <i>versus</i> linked organometallics - bimetallic ""half-baguette"" pentalenide complexes of Rh(I).","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5881","5899","10.1039/d3dt04325h","","x-ray","1.54184","CuKα","","0.0222","0.0218","","","0.0573","0.0575","","","","","","1.071","","","","has coordinates","290929","2024-04-04","23:23:20",""
"7715298","12.6981","0.0002","13.248","0.0003","17.4462","0.0004","76.34","0.002","69.8125","0.0019","63.79","0.002","2459.11","0.1","150","2","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C102 H140 O5 P8 Rh2 -","- C102 H140 O5 P8 Rh2 -","- C102 H140 O5 P8 Rh2 -","1","0.5","","Sanderson, Hugh J.; Kociok-Köhn, Gabriele; McMullin, Claire L.; Hintermair, Ulrich","Twinned <i>versus</i> linked organometallics - bimetallic ""half-baguette"" pentalenide complexes of Rh(I).","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5881","5899","10.1039/d3dt04325h","","x-ray","0.71073","MoKα","","0.0346","0.0291","","","0.0673","0.0699","","","","","","1.039","","","","has coordinates,has disorder","290929","2024-04-04","23:23:20",""
"7715299","13.9687","0.0003","14.9315","0.0003","22.8545","0.0004","75.3403","0.0016","87.2098","0.0015","79.49","0.0015","4534.28","0.16","150","2","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C102 H102 O6 P4 Rh2 -","- C102 H102 O6 P4 Rh2 -","- C204 H204 O12 P8 Rh4 -","2","1","","Sanderson, Hugh J.; Kociok-Köhn, Gabriele; McMullin, Claire L.; Hintermair, Ulrich","Twinned <i>versus</i> linked organometallics - bimetallic ""half-baguette"" pentalenide complexes of Rh(I).","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5881","5899","10.1039/d3dt04325h","","x-ray","1.54184","CuKα","","0.0636","0.0555","","","0.1492","0.1549","","","","","","1.115","","","","has coordinates,has disorder","290929","2024-04-04","23:23:20",""
"7715300","14.00549","0.00011","19.39104","0.00014","23.86254","0.00018","90","","106.334","0.0008","90","","6219.05","0.09","150","2","150.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C152 H128 O19 P4 Rh4 -","- C152 H128 O19 P4 Rh4 -","- C304 H256 O38 P8 Rh8 -","2","0.5","","Sanderson, Hugh J.; Kociok-Köhn, Gabriele; McMullin, Claire L.; Hintermair, Ulrich","Twinned <i>versus</i> linked organometallics - bimetallic ""half-baguette"" pentalenide complexes of Rh(I).","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5881","5899","10.1039/d3dt04325h","","x-ray","1.54184","CuKα","","0.036","0.0316","","","0.0746","0.0773","","","","","","1.052","","","","has coordinates,has disorder","290929","2024-04-04","23:23:20",""
"7715301","12.7037","0.0002","10.34448","0.00016","22.6879","0.0004","90","","103.76","0.0016","90","","2895.92","0.08","150","2","150.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H22 O4 Rh2 -","- C36 H22 O4 Rh2 -","- C144 H88 O16 Rh8 -","4","1","","Sanderson, Hugh J.; Kociok-Köhn, Gabriele; McMullin, Claire L.; Hintermair, Ulrich","Twinned <i>versus</i> linked organometallics - bimetallic ""half-baguette"" pentalenide complexes of Rh(I).","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5881","5899","10.1039/d3dt04325h","","x-ray","0.71073","MoKα","","0.0266","0.0231","","","0.0509","0.0525","","","","","","1.111","","","","has coordinates","290929","2024-04-04","23:23:20",""
"7715302","9.8739","0.00005","21.78333","0.00008","17.76504","0.00007","90","","102.682","0.0005","90","","3727.8","0.03","150","2","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H40 O8 P2 Rh2 -","- C40 H40 O8 P2 Rh2 -","- C160 H160 O32 P8 Rh8 -","4","1","","Sanderson, Hugh J.; Kociok-Köhn, Gabriele; McMullin, Claire L.; Hintermair, Ulrich","Twinned <i>versus</i> linked organometallics - bimetallic ""half-baguette"" pentalenide complexes of Rh(I).","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5881","5899","10.1039/d3dt04325h","","x-ray","1.54184","CuKα","","0.0202","0.0201","","","0.0492","0.0493","","","","","","1.127","","","","has coordinates","290929","2024-04-04","23:23:20",""
"7715303","18.23888","0.00015","14.65593","0.00008","21.64988","0.00019","90","","103.875","0.0009","90","","5618.32","0.08","150","2","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H70 Cl3 Mg2 O8 Rh -","- C58 H70 Cl3 Mg2 O8 Rh -","- C232 H280 Cl12 Mg8 O32 Rh4 -","4","1","","Sanderson, Hugh J.; Kociok-Köhn, Gabriele; McMullin, Claire L.; Hintermair, Ulrich","Twinned <i>versus</i> linked organometallics - bimetallic ""half-baguette"" pentalenide complexes of Rh(I).","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5881","5899","10.1039/d3dt04325h","","x-ray","1.54184","CuKα","","0.0376","0.0316","","","0.0756","0.0787","","","","","","1.023","","","","has coordinates,has disorder","290929","2024-04-04","23:23:20",""
"7715304","9.4554","0.0004","11.6097","0.0006","11.8845","0.0005","96.835","0.001","111.003","0.001","94.095","0.001","1200.09","0.1","170.15","","170.15","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Au N2 P S -","- C24 H36 Au N2 P S -","- C48 H72 Au2 N4 P2 S2 -","2","1","","Posada Urrutia, Mauricio; Kaul, Nidhi; Kaper, Tobias; Hurrell, Dustin; Chiang, Linus; Wells, Jordann A. L.; Orthaber, Andreas; Hammarström, Leif; Pilarski, Lukasz T.; Dyrager, Christine","Access to long-lived room temperature phosphorescence through auration of 2,1,3-benzothiadiazole.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5658","5664","10.1039/d4dt00238e","","","0.71073","MoKα","","0.0338","0.0294","","","0.062","0.0643","","","","","","1.163","","","","has coordinates","290984","2024-04-04","23:38:30",""
"7715305","8.4072","0.0002","13.1964","0.0004","9.211","0.0002","90","","93.753","0.001","90","","1019.72","0.05","170.15","","170.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C18 H30 Au N2 P S -","- C18 H30 Au N2 P S -","- C36 H60 Au2 N4 P2 S2 -","2","0.5","","Posada Urrutia, Mauricio; Kaul, Nidhi; Kaper, Tobias; Hurrell, Dustin; Chiang, Linus; Wells, Jordann A. L.; Orthaber, Andreas; Hammarström, Leif; Pilarski, Lukasz T.; Dyrager, Christine","Access to long-lived room temperature phosphorescence through auration of 2,1,3-benzothiadiazole.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5658","5664","10.1039/d4dt00238e","","","0.71073","MoKα","","0.0448","0.0301","","","0.0681","0.0759","","","","","","1.027","","","","has coordinates,has disorder","290984","2024-04-04","23:38:31",""
"7715306","8.496","0.0004","11.3452","0.0006","21.66","0.0011","90","","97.82","0.001","90","","2068.37","0.18","170","","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Au N2 P S -","- C24 H18 Au N2 P S -","- C96 H72 Au4 N8 P4 S4 -","4","1","","Posada Urrutia, Mauricio; Kaul, Nidhi; Kaper, Tobias; Hurrell, Dustin; Chiang, Linus; Wells, Jordann A. L.; Orthaber, Andreas; Hammarström, Leif; Pilarski, Lukasz T.; Dyrager, Christine","Access to long-lived room temperature phosphorescence through auration of 2,1,3-benzothiadiazole.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5658","5664","10.1039/d4dt00238e","","","0.71073","MoKα","","0.016","0.0137","","","0.0317","0.0323","","","","","","1.035","","","","has coordinates","290984","2024-04-04","23:38:31",""
"7715307","10.3239","0.0004","15.6203","0.0006","16.6809","0.0007","105.253","0.001","100.318","0.001","102.032","0.001","2458.97","0.17","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H27 Au N4 S -","- C27 H27 Au N4 S -","- C108 H108 Au4 N16 S4 -","4","2","","Posada Urrutia, Mauricio; Kaul, Nidhi; Kaper, Tobias; Hurrell, Dustin; Chiang, Linus; Wells, Jordann A. L.; Orthaber, Andreas; Hammarström, Leif; Pilarski, Lukasz T.; Dyrager, Christine","Access to long-lived room temperature phosphorescence through auration of 2,1,3-benzothiadiazole.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5658","5664","10.1039/d4dt00238e","","","0.71073","MoKα","","0.0306","0.024","","","0.0533","0.0556","","","","","","1.056","","","","has coordinates,has disorder","290984","2024-04-04","23:38:31",""
"7715308","11.819","0.002","14.047","0.003","18.837","0.003","90","","96.458","0.004","90","","3107.5","1","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 Au N4 S -","- C33 H39 Au N4 S -","- C132 H156 Au4 N16 S4 -","4","1","","Posada Urrutia, Mauricio; Kaul, Nidhi; Kaper, Tobias; Hurrell, Dustin; Chiang, Linus; Wells, Jordann A. L.; Orthaber, Andreas; Hammarström, Leif; Pilarski, Lukasz T.; Dyrager, Christine","Access to long-lived room temperature phosphorescence through auration of 2,1,3-benzothiadiazole.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5658","5664","10.1039/d4dt00238e","","x-ray","0.71073","MoKα","","0.0239","0.0179","","","0.0405","0.0436","","","","","","1.051","","","","has coordinates,has disorder","290984","2024-04-04","23:38:31",""
"7715309","8.0974","0.0003","8.5354","0.0003","12.0938","0.0004","83.001","0.002","77.127","0.002","89.041","0.002","808.73","0.05","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H23 P S -","- C18 H23 P S -","- C36 H46 P2 S2 -","2","1","","Dorow, Richard C. C.; Liebing, Phil; Görls, Helmar; Westerhausen, Matthias","Coordination chemistry of alkali metal dimesityl-thio- and dimesityl-selenophosphinites [(L)<sub>2</sub>A-EPMes<sub>2</sub>]<sub>2</sub> (A = Li, Na, K; E = S, Se; L = THF, THP) and [(18C6)K-SPMes<sub>2</sub>].","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5711","5720","10.1039/d4dt00264d","","","0.71073","MoKα","","0.0456","0.0427","","","0.1068","0.109","","","","","","1.089","","","","has coordinates","290977","2024-04-04","23:34:37",""
"7715310","8.1648","0.0017","8.5743","0.0016","12.161","0.002","82.479","0.005","77.391","0.005","89.456","0.005","823.5","0.3","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H23 P Se -","- C18 H23 P Se -","- C36 H46 P2 Se2 -","2","1","","Dorow, Richard C. C.; Liebing, Phil; Görls, Helmar; Westerhausen, Matthias","Coordination chemistry of alkali metal dimesityl-thio- and dimesityl-selenophosphinites [(L)<sub>2</sub>A-EPMes<sub>2</sub>]<sub>2</sub> (A = Li, Na, K; E = S, Se; L = THF, THP) and [(18C6)K-SPMes<sub>2</sub>].","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5711","5720","10.1039/d4dt00264d","","","0.71073","MoKα","","0.0298","0.0235","","","0.0564","0.059","","","","","","1.02","","","","has coordinates","290977","2024-04-04","23:34:37",""
"7715311","11.9719","0.0002","16.8153","0.0003","13.0896","0.0002","90","","93.338","0.001","90","","2630.61","0.08","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H76 K2 O4 P2 S2 -","- C52 H76 K2 O4 P2 S2 -","- C104 H152 K4 O8 P4 S4 -","2","0.5","","Dorow, Richard C. C.; Liebing, Phil; Görls, Helmar; Westerhausen, Matthias","Coordination chemistry of alkali metal dimesityl-thio- and dimesityl-selenophosphinites [(L)<sub>2</sub>A-EPMes<sub>2</sub>]<sub>2</sub> (A = Li, Na, K; E = S, Se; L = THF, THP) and [(18C6)K-SPMes<sub>2</sub>].","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5711","5720","10.1039/d4dt00264d","","","0.71073","MoKα","","0.0525","0.0478","","","0.1295","0.1334","","","","","","1.033","","","","has coordinates,has disorder","290977","2024-04-04","23:34:37",""
"7715312","11.9075","0.0003","16.8014","0.0004","13.2648","0.0002","90","","92.043","0.001","90","","2652.1","0.1","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H76 K2 O4 P2 Se2 -","- C52 H76 K2 O4 P2 Se2 -","- C104 H152 K4 O8 P4 Se4 -","2","0.5","","Dorow, Richard C. C.; Liebing, Phil; Görls, Helmar; Westerhausen, Matthias","Coordination chemistry of alkali metal dimesityl-thio- and dimesityl-selenophosphinites [(L)<sub>2</sub>A-EPMes<sub>2</sub>]<sub>2</sub> (A = Li, Na, K; E = S, Se; L = THF, THP) and [(18C6)K-SPMes<sub>2</sub>].","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5711","5720","10.1039/d4dt00264d","","","0.71073","MoKα","","0.055","0.0434","","","0.0923","0.0985","","","","","","1.059","","","","has coordinates,has disorder","290977","2024-04-04","23:34:37",""
"7715313","11.4806","0.0014","14.5572","0.0016","19.572","0.002","90","","97.148","0.003","90","","3245.6","0.6","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H46 K O6 P S -","- C30 H46 K O6 P S -","- C120 H184 K4 O24 P4 S4 -","4","1","","Dorow, Richard C. C.; Liebing, Phil; Görls, Helmar; Westerhausen, Matthias","Coordination chemistry of alkali metal dimesityl-thio- and dimesityl-selenophosphinites [(L)<sub>2</sub>A-EPMes<sub>2</sub>]<sub>2</sub> (A = Li, Na, K; E = S, Se; L = THF, THP) and [(18C6)K-SPMes<sub>2</sub>].","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5711","5720","10.1039/d4dt00264d","","","0.71073","MoKα","","0.0768","0.0508","","","0.1167","0.1342","","","","","","1.036","","","","has coordinates,has disorder","290977","2024-04-04","23:34:37",""
"7715314","12.344","0.003","17.315","0.004","13.494","0.004","90","","92.518","0.01","90","","2881.4","1.3","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H84 K2 O4 P2 Se2 -","- C56 H84 K2 O4 P2 Se2 -","- C112 H168 K4 O8 P4 Se4 -","2","0.5","","Dorow, Richard C. C.; Liebing, Phil; Görls, Helmar; Westerhausen, Matthias","Coordination chemistry of alkali metal dimesityl-thio- and dimesityl-selenophosphinites [(L)<sub>2</sub>A-EPMes<sub>2</sub>]<sub>2</sub> (A = Li, Na, K; E = S, Se; L = THF, THP) and [(18C6)K-SPMes<sub>2</sub>].","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5711","5720","10.1039/d4dt00264d","","","0.71073","MoKα","","0.0517","0.031","","","0.0701","0.08","","","","","","1.041","","","","has coordinates","290977","2024-04-04","23:34:37",""
"7715315","13.439","0.0015","13.7423","0.0014","17.2067","0.0019","92.241","0.003","108.058","0.003","108.624","0.003","2829.2","0.5","117","2","117","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H84 K2 O4 P2 S2 -","- C56 H84 K2 O4 P2 S2 -","- C112 H168 K4 O8 P4 S4 -","2","1","","Dorow, Richard C. C.; Liebing, Phil; Görls, Helmar; Westerhausen, Matthias","Coordination chemistry of alkali metal dimesityl-thio- and dimesityl-selenophosphinites [(L)<sub>2</sub>A-EPMes<sub>2</sub>]<sub>2</sub> (A = Li, Na, K; E = S, Se; L = THF, THP) and [(18C6)K-SPMes<sub>2</sub>].","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5711","5720","10.1039/d4dt00264d","","","0.71073","MoKα","","0.1413","0.0741","","","0.1568","0.1974","","","","","","1.025","","","","has coordinates","290977","2024-04-04","23:34:37",""
"7715316","11.551","0.0017","10.5196","0.0014","25.647","0.004","90","","101.101","0.004","90","","3058.1","0.8","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H92 Na2 O6 P2 S2 -","- C60 H92 Na2 O6 P2 S2 -","- C120 H184 Na4 O12 P4 S4 -","2","0.5","","Dorow, Richard C. C.; Liebing, Phil; Görls, Helmar; Westerhausen, Matthias","Coordination chemistry of alkali metal dimesityl-thio- and dimesityl-selenophosphinites [(L)<sub>2</sub>A-EPMes<sub>2</sub>]<sub>2</sub> (A = Li, Na, K; E = S, Se; L = THF, THP) and [(18C6)K-SPMes<sub>2</sub>].","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5711","5720","10.1039/d4dt00264d","","","0.71073","MoKα","","0.0894","0.064","","","0.1487","0.1649","","","","","","1.085","","","","has coordinates,has disorder","290977","2024-04-04","23:34:37",""
"7715317","12.5768","0.0003","15.2815","0.0004","13.3242","0.0003","90","","92.363","0.002","90","","2558.63","0.11","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H76 N4 Na2 O2 P2 -","- C48 H76 N4 Na2 O2 P2 -","- C96 H152 N8 Na4 O4 P4 -","2","0.5","","Dorow, Richard C. C.; Liebing, Phil; Görls, Helmar; Westerhausen, Matthias","Coordination chemistry of alkali metal dimesityl-thio- and dimesityl-selenophosphinites [(L)<sub>2</sub>A-EPMes<sub>2</sub>]<sub>2</sub> (A = Li, Na, K; E = S, Se; L = THF, THP) and [(18C6)K-SPMes<sub>2</sub>].","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5711","5720","10.1039/d4dt00264d","","","0.71073","MoKα","","0.0716","0.0589","","","0.1577","0.1683","","","","","","1.054","","","","has coordinates","290977","2024-04-04","23:34:37",""
"7715318","8.752","0.001","13.3652","0.0017","22.037","0.003","90","","95.393","0.004","90","","2566.3","0.6","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H76 Li2 O4 P2 S2 -","- C52 H76 Li2 O4 P2 S2 -","- C104 H152 Li4 O8 P4 S4 -","2","0.5","","Dorow, Richard C. C.; Liebing, Phil; Görls, Helmar; Westerhausen, Matthias","Coordination chemistry of alkali metal dimesityl-thio- and dimesityl-selenophosphinites [(L)<sub>2</sub>A-EPMes<sub>2</sub>]<sub>2</sub> (A = Li, Na, K; E = S, Se; L = THF, THP) and [(18C6)K-SPMes<sub>2</sub>].","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5711","5720","10.1039/d4dt00264d","","","0.71073","MoKα","","0.0561","0.0385","","","0.0905","0.101","","","","","","1.041","","","","has coordinates,has disorder","290977","2024-04-04","23:34:37",""
"7715319","16.808","0.002","16.808","0.002","81.648","0.014","90","","90","","120","","19976","5","150","","150","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C50.5 H87 B F12 P4 Si6 -","- C48 H81 B F12 P4 Si6 -","- C576 H972 B12 F144 P48 Si72 -","12","0.666667","","Thomson, Jordan; Michailovich, Sofia; Miao, Linkun; Farrell, Jeffrey M.; Murray, Jillian A.; Lough, Alan; Stephan, Douglas W.","Triple <i>para</i>-substitution reactions of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> and [(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>PF]<sup>+</sup> with P(SiMe<sub>3</sub>)<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5775","5778","10.1039/d4dt00251b","","","0.71073","MoKα","","0.0326","0.0308","","","0.0801","0.0812","","","","","","1.042","","","","has coordinates","290931","2024-04-04","23:24:46",""
"7715320","14.6989","0.0009","23.5345","0.0017","8.3881","0.0005","90","","111.988","0.003","90","","2690.6","0.3","150.02","","150.02","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H63 B F12 P4 Si6 -","- C39 H63 B F12 P4 Si6 -","- C78 H126 B2 F24 P8 Si12 -","2","1","","Thomson, Jordan; Michailovich, Sofia; Miao, Linkun; Farrell, Jeffrey M.; Murray, Jillian A.; Lough, Alan; Stephan, Douglas W.","Triple <i>para</i>-substitution reactions of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> and [(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>PF]<sup>+</sup> with P(SiMe<sub>3</sub>)<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5775","5778","10.1039/d4dt00251b","","","0.71073","MoKα","","0.0818","0.0512","","","0.0945","0.1057","","","","","","1.0347","","","","has coordinates","290931","2024-04-04","23:24:46",""
"7715321","14.2177","0.0004","14.4364","0.0004","15.8796","0.0004","75.742","0.003","85.56","0.002","61.152","0.003","2763.62","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H66 B Fe N8 O2 -","- C64 H66 B Fe N8 O2 -","- C128 H132 B2 Fe2 N16 O4 -","2","1","","Hagiwara, Hiroaki; Sonoda, Kento","Impact of flexible hexyl chain ordering in a mononuclear spin crossover iron(III) complex.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5851","5860","10.1039/d4dt00425f","","x-ray","0.71073","MoKα","","0.0669","0.0563","","","0.1545","0.1602","","","","","","1.129","","","","has coordinates","290936","2024-04-04","23:26:00",""
"7715322","14.8678","0.0006","24.8747","0.0009","16.351","0.0005","90","","106.187","0.004","90","","5807.4","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H66 B Fe N8 O2 -","- C64 H66 B Fe N8 O2 -","- C256 H264 B4 Fe4 N32 O8 -","4","0.5","","Hagiwara, Hiroaki; Sonoda, Kento","Impact of flexible hexyl chain ordering in a mononuclear spin crossover iron(III) complex.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5851","5860","10.1039/d4dt00425f","","x-ray","0.71073","MoKα","","0.0675","0.0501","","","0.1389","0.1521","","","","","","1.042","","","","has coordinates,has disorder","290936","2024-04-04","23:26:00",""
"7715323","14.2646","0.0003","14.5053","0.0003","15.952","0.0002","75.861","0.002","84.957","0.002","60.854","0.002","2793.53","0.11","175","2","175","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H66 B Fe N8 O2 -","- C64 H66 B Fe N8 O2 -","- C128 H132 B2 Fe2 N16 O4 -","2","1","","Hagiwara, Hiroaki; Sonoda, Kento","Impact of flexible hexyl chain ordering in a mononuclear spin crossover iron(III) complex.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5851","5860","10.1039/d4dt00425f","","x-ray","0.71073","MoKα","","0.0744","0.0622","","","0.1641","0.1705","","","","","","1.154","","","","has coordinates,has disorder","290936","2024-04-04","23:26:00",""
"7715324","14.3314","0.0004","14.6187","0.0005","16.0247","0.0003","98.737","0.002","95.692","0.002","119.179","0.003","2838.25","0.17","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H66 B Fe N8 O2 -","- C64 H66 B Fe N8 O2 -","- C128 H132 B2 Fe2 N16 O4 -","2","1","","Hagiwara, Hiroaki; Sonoda, Kento","Impact of flexible hexyl chain ordering in a mononuclear spin crossover iron(III) complex.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5851","5860","10.1039/d4dt00425f","","x-ray","0.71073","MoKα","","0.083","0.0612","","","0.1603","0.1726","","","","","","1.103","","","","has coordinates,has disorder","290936","2024-04-04","23:26:00",""
"7715325","14.3772","0.0004","14.6177","0.0005","16.1449","0.0003","98.821","0.002","96.291","0.002","118.781","0.003","2872.06","0.17","275","2","275","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H66 B Fe N8 O2 -","- C64 H66 B Fe N8 O2 -","- C128 H132 B2 Fe2 N16 O4 -","2","1","","Hagiwara, Hiroaki; Sonoda, Kento","Impact of flexible hexyl chain ordering in a mononuclear spin crossover iron(III) complex.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5851","5860","10.1039/d4dt00425f","","x-ray","0.71073","MoKα","","0.0977","0.069","","","0.1928","0.2126","","","","","","1.091","","","","has coordinates,has disorder","290936","2024-04-04","23:26:00",""
"7715326","14.8931","0.0006","24.8823","0.0009","16.3989","0.0005","90","","106.285","0.004","90","","5833.2","0.4","310","2","310","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H66 B Fe N8 O2 -","- C64 H66 B Fe N8 O2 -","- C256 H264 B4 Fe4 N32 O8 -","4","0.5","","Hagiwara, Hiroaki; Sonoda, Kento","Impact of flexible hexyl chain ordering in a mononuclear spin crossover iron(III) complex.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5851","5860","10.1039/d4dt00425f","","x-ray","0.71073","MoKα","","0.0663","0.0484","","","0.1356","0.1488","","","","","","1.048","","","","has coordinates,has disorder","290936","2024-04-04","23:26:00",""
"7715327","14.9243","0.0007","24.8378","0.001","16.4756","0.0005","90","","106.339","0.004","90","","5860.6","0.4","340","2","340","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H66 B Fe N8 O2 -","- C64 H66 B Fe N8 O2 -","- C256 H264 B4 Fe4 N32 O8 -","4","0.5","","Hagiwara, Hiroaki; Sonoda, Kento","Impact of flexible hexyl chain ordering in a mononuclear spin crossover iron(III) complex.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5851","5860","10.1039/d4dt00425f","","x-ray","0.71073","MoKα","","0.075","0.05","","","0.1366","0.155","","","","","","1.023","","","","has coordinates,has disorder","290936","2024-04-04","23:26:00",""
"7715328","14.9017","0.0006","24.8537","0.0009","16.4274","0.0005","90","","106.331","0.004","90","","5838.6","0.4","325","2","325","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H66 B Fe N8 O2 -","- C64 H66 B Fe N8 O2 -","- C256 H264 B4 Fe4 N32 O8 -","4","0.5","","Hagiwara, Hiroaki; Sonoda, Kento","Impact of flexible hexyl chain ordering in a mononuclear spin crossover iron(III) complex.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5851","5860","10.1039/d4dt00425f","","x-ray","0.71073","MoKα","","0.0694","0.0487","","","0.1338","0.1496","","","","","","1.027","","","","has coordinates,has disorder","290936","2024-04-04","23:26:00",""
"7715329","13.9178","0.0003","14.1124","0.0003","17.1203","0.0003","96.939","0.002","98.241","0.002","115.296","0.002","2945.89","0.12","360","2","360","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H66 B Fe N8 O2 -","- C64 H66 B Fe N8 O2 -","- C128 H132 B2 Fe2 N16 O4 -","2","1","","Hagiwara, Hiroaki; Sonoda, Kento","Impact of flexible hexyl chain ordering in a mononuclear spin crossover iron(III) complex.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5851","5860","10.1039/d4dt00425f","","x-ray","0.71073","MoKα","","0.0763","0.0555","","","0.1594","0.1803","","","","","","1.036","","","","has coordinates","290936","2024-04-04","23:26:00",""
"7715330","37.7381","0.0005","6.47585","0.00009","42.634","0.0007","90","","108.035","0.0017","90","","9907.3","0.3","120","0.1","120","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C58 H58 N12 O2 -","- C58 H58 N12 O2 -","- C464 H464 N96 O16 -","8","1","","Egger, Charlotte; Guénée, Laure; Deorukhkar, Neel; Piguet, Claude","Programming heterometallic 4f-4f' helicates under thermodynamic control: the circle is complete.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","6050","6062","10.1039/d4dt00610k","","x-ray","1.54184","CuKα","","0.0935","0.0758","","","0.2031","0.2156","","","","","","1.059","","","","has coordinates,has disorder","290944","2024-04-04","23:27:41",""
"7715331","27.68761","0.00013","50.6972","0.0003","30.80194","0.00017","90","","104.644","0.0005","90","","41831.7","0.4","99.99","0.1","99.99","0.1","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C187.75 H171.75 F24 La2 N43.25 O27 S8 Zn -","- C187.75 H171.75 F24 La2 N43.25 O27 S8 Zn -","- C1502 H1374 F192 La16 N346 O216 S64 Zn8 -","8","1","","Egger, Charlotte; Guénée, Laure; Deorukhkar, Neel; Piguet, Claude","Programming heterometallic 4f-4f' helicates under thermodynamic control: the circle is complete.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","6050","6062","10.1039/d4dt00610k","","x-ray","1.54184","CuKα","","0.0722","0.0669","","","0.1996","0.2058","","","","","","1.048","","","","has coordinates,has disorder","290944","2024-04-04","23:27:41",""
"7715332","16.5519","0.0003","17.2409","0.0003","48.1977","0.0009","92.6755","0.0014","95.8386","0.0014","118.056","0.0018","12004.7","0.4","119.99","0.1","119.99","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C175 H155 Eu2 F21 N36 O25 S7 Zn -","- C175 H155 Eu2 F21 N36 O25 S7 Zn -","- C350 H310 Eu4 F42 N72 O50 S14 Zn2 -","2","1","","Egger, Charlotte; Guénée, Laure; Deorukhkar, Neel; Piguet, Claude","Programming heterometallic 4f-4f' helicates under thermodynamic control: the circle is complete.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","6050","6062","10.1039/d4dt00610k","","x-ray","1.54184","CuKα","","0.1352","0.1086","","","0.3049","0.3255","","","","","","1.167","","","","has coordinates,has disorder","290944","2024-04-04","23:27:41",""
"7715333","7.8664","0.0006","12.0681","0.0012","18.5613","0.0015","90","","99.276","0.006","90","","1739","0.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 Cl F N Os S -","- C19 H19 Cl F N Os S -","- C76 H76 Cl4 F4 N4 Os4 S4 -","4","1","","Getreuer, Paul; Marretta, Laura; Toyoglu, Emine; Dömötör, Orsolya; Hejl, Michaela; Prado-Roller, Alexander; Cseh, Klaudia; Legin, Anton A.; Jakupec, Michael A.; Barone, Giampaolo; Terenzi, Alessio; Keppler, Bernhard K.; Kandioller, Wolfgang","Investigating the anticancer potential of 4-phenylthiazole derived Ru(II) and Os(II) metalacycles.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5567","5579","10.1039/d4dt00245h","","x-ray","0.71073","MoKα","","0.0478","0.0375","","","0.0945","0.0985","","","","","","0.998","","","","has coordinates","290982","2024-04-04","23:38:13",""
"7715334","14.523","0.002","9.328","0.002","14.748","0.002","90","","107.171","0.011","90","","1908.9","0.6","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Cl N O Ru S -","- C20 H22 Cl N O Ru S -","- C80 H88 Cl4 N4 O4 Ru4 S4 -","4","1","","Getreuer, Paul; Marretta, Laura; Toyoglu, Emine; Dömötör, Orsolya; Hejl, Michaela; Prado-Roller, Alexander; Cseh, Klaudia; Legin, Anton A.; Jakupec, Michael A.; Barone, Giampaolo; Terenzi, Alessio; Keppler, Bernhard K.; Kandioller, Wolfgang","Investigating the anticancer potential of 4-phenylthiazole derived Ru(II) and Os(II) metalacycles.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5567","5579","10.1039/d4dt00245h","","x-ray","0.71073","MoKα","","0.0513","0.034","","","0.0632","0.0664","","","","","","0.849","","","","has coordinates","290982","2024-04-04","23:38:14",""
"7715335","7.952","0.0017","12.1531","0.0012","18.037","0.003","90","","99.698","0.015","90","","1718.2","0.5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Cl N Ru S -","- C19 H20 Cl N Ru S -","- C76 H80 Cl4 N4 Ru4 S4 -","4","1","","Getreuer, Paul; Marretta, Laura; Toyoglu, Emine; Dömötör, Orsolya; Hejl, Michaela; Prado-Roller, Alexander; Cseh, Klaudia; Legin, Anton A.; Jakupec, Michael A.; Barone, Giampaolo; Terenzi, Alessio; Keppler, Bernhard K.; Kandioller, Wolfgang","Investigating the anticancer potential of 4-phenylthiazole derived Ru(II) and Os(II) metalacycles.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5567","5579","10.1039/d4dt00245h","","x-ray","0.71073","MoKα","","0.0658","0.0504","","","0.118","0.1284","","","","","","0.992","","","","has coordinates","290982","2024-04-04","23:38:14",""
"7715336","7.9442","0.0003","12.0992","0.0004","18.0987","0.0006","90","","99.821","0.003","90","","1714.13","0.1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Cl N Os S -","- C19 H20 Cl N Os S -","- C76 H80 Cl4 N4 Os4 S4 -","4","1","","Getreuer, Paul; Marretta, Laura; Toyoglu, Emine; Dömötör, Orsolya; Hejl, Michaela; Prado-Roller, Alexander; Cseh, Klaudia; Legin, Anton A.; Jakupec, Michael A.; Barone, Giampaolo; Terenzi, Alessio; Keppler, Bernhard K.; Kandioller, Wolfgang","Investigating the anticancer potential of 4-phenylthiazole derived Ru(II) and Os(II) metalacycles.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5567","5579","10.1039/d4dt00245h","","x-ray","0.71073","MoKα","","0.042","0.0248","","","0.0511","0.0569","","","","","","1.038","","","","has coordinates","290982","2024-04-04","23:38:14",""
"7715337","7.8645","0.0008","12.1266","0.0014","18.5026","0.0017","90","","99.203","0.008","90","","1741.9","0.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 Cl F N Ru S -","- C19 H19 Cl F N Ru S -","- C76 H76 Cl4 F4 N4 Ru4 S4 -","4","1","","Getreuer, Paul; Marretta, Laura; Toyoglu, Emine; Dömötör, Orsolya; Hejl, Michaela; Prado-Roller, Alexander; Cseh, Klaudia; Legin, Anton A.; Jakupec, Michael A.; Barone, Giampaolo; Terenzi, Alessio; Keppler, Bernhard K.; Kandioller, Wolfgang","Investigating the anticancer potential of 4-phenylthiazole derived Ru(II) and Os(II) metalacycles.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5567","5579","10.1039/d4dt00245h","","x-ray","0.71073","MoKα","","0.0489","0.0271","","","0.0482","0.0507","","","","","","0.896","","","","has coordinates","290982","2024-04-04","23:38:14",""
"7715338","19.8894","0.0002","12.5813","0.0001","14.9003","0.0002","90","","96.42","0.001","90","","3705.19","0.07","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cl N Ru S -","- C20 H22 Cl N Ru S -","- C160 H176 Cl8 N8 Ru8 S8 -","8","2","","Getreuer, Paul; Marretta, Laura; Toyoglu, Emine; Dömötör, Orsolya; Hejl, Michaela; Prado-Roller, Alexander; Cseh, Klaudia; Legin, Anton A.; Jakupec, Michael A.; Barone, Giampaolo; Terenzi, Alessio; Keppler, Bernhard K.; Kandioller, Wolfgang","Investigating the anticancer potential of 4-phenylthiazole derived Ru(II) and Os(II) metalacycles.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5567","5579","10.1039/d4dt00245h","","x-ray","1.54186","CuKα","","0.0292","0.0283","","","0.0755","0.076","","","","","","1.069","","","","has coordinates,has disorder","290982","2024-04-04","23:38:14",""
"7715339","19.8295","0.0005","12.5808","0.0002","14.9234","0.0003","90","","95.974","0.002","90","","3702.74","0.13","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cl N Os S -","- C20 H22 Cl N Os S -","- C160 H176 Cl8 N8 Os8 S8 -","8","2","","Getreuer, Paul; Marretta, Laura; Toyoglu, Emine; Dömötör, Orsolya; Hejl, Michaela; Prado-Roller, Alexander; Cseh, Klaudia; Legin, Anton A.; Jakupec, Michael A.; Barone, Giampaolo; Terenzi, Alessio; Keppler, Bernhard K.; Kandioller, Wolfgang","Investigating the anticancer potential of 4-phenylthiazole derived Ru(II) and Os(II) metalacycles.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5567","5579","10.1039/d4dt00245h","","x-ray","0.71073","MoKα","","0.0416","0.024","","","0.0396","0.041","","","","","","0.931","","","","has coordinates,has disorder","290982","2024-04-04","23:38:14",""
"7715340","7.5495","0.0002","10.6591","0.0003","28.6528","0.0007","90","","90","","90","","2305.72","0.11","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Fe3 N O6 S2 -","- C21 H17 Fe3 N O6 S2 -","- C84 H68 Fe12 N4 O24 S8 -","4","1","","Aguado, Sergio; García-Álvarez, Pablo; Cabeza, Javier A.; Casarrubios, Luis; Sierra, Miguel A.","A cross-metathesis approach for polymetallic [FeFe]-hydrogenase mimics.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3756","3764","10.1039/d3dt04197b","","","1.5418","CuKα","","0.0661","0.0655","","","0.1542","0.1551","","","","","","1.15","","","","has coordinates","290052","2024-03-04","06:28:34",""
"7715341","27.1359","0.0015","8.2566","0.0004","12.5739","0.0005","90","","101.619","0.005","90","","2759.5","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 Fe2 N O7 Ru S2 -","- C27 H19 Fe2 N O7 Ru S2 -","- C108 H76 Fe8 N4 O28 Ru4 S8 -","4","1","","Aguado, Sergio; García-Álvarez, Pablo; Cabeza, Javier A.; Casarrubios, Luis; Sierra, Miguel A.","A cross-metathesis approach for polymetallic [FeFe]-hydrogenase mimics.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3756","3764","10.1039/d3dt04197b","","","1.5418","CuKα","","0.0997","0.077","","","0.2135","0.2446","","","","","","1.094","","","","has coordinates","290052","2024-03-04","06:28:35",""
"7715342","9.1461","0.0004","10.6933","0.0006","13.8344","0.0007","87.141","0.004","89.136","0.004","78.009","0.004","1321.85","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H14 Fe2 Mn N O9 S2 -","- C24 H14 Fe2 Mn N O9 S2 -","- C48 H28 Fe4 Mn2 N2 O18 S4 -","2","1","","Aguado, Sergio; García-Álvarez, Pablo; Cabeza, Javier A.; Casarrubios, Luis; Sierra, Miguel A.","A cross-metathesis approach for polymetallic [FeFe]-hydrogenase mimics.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3756","3764","10.1039/d3dt04197b","","","1.5418","CuKα","","0.0753","0.0728","","","0.1749","0.1859","","","","","","1.105","","","","has coordinates","290052","2024-03-04","06:28:35",""
"7715343","27.505","0.01","17.871","0.006","16.149","0.005","90","","93.474","0.013","90","","7923","5","295","2","294.83","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C74 H46 Co3 N4 O12 -","- C74 H46 Co3 N4 O12 -","- C296 H184 Co12 N16 O48 -","4","0.5","","Li, Tuotuo; Omoniyi, Ahmed Olalekan; Wang, Yuliang; Hu, Xiaoli; Su, Zhongmin","Enhancing dye degradation using a novel cobalt metal-organic framework as a peroxymonosulfate activator.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3523","3533","10.1039/d3dt03707j","","x-ray","0.71073","MoKα","","0.0504","0.0381","","","0.1125","0.1199","","","","","","1.041","","","","has coordinates","290053","2024-03-04","06:28:56",""
"7715344","10.346","0.006","8.963","0.005","42.27","0.02","90","","94.2","0.03","90","","3909","4","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 Cl10 Fe3 N6 -","- C31 H24 Cl10 Fe3 N6 -","- C124 H96 Cl40 Fe12 N24 -","4","1","","Chowdhury, Deep; Goswami, Souvik; Krishna, Gamidi Rama; Mukherjee, Arup","Transfer semi-hydrogenation of terminal alkynes with a well-defined iron complex.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3484","3489","10.1039/d3dt03248e","","","0.71073","MoKα","","0.1141","0.0816","","","0.1543","0.1666","","","","","","1.133","","","","has coordinates","290054","2024-03-04","06:29:22",""
"7715345","12.9623","0.0006","13.6092","0.0006","31.4613","0.0013","90","","99.282","0.002","90","","5477.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","red crystals","","","- C33 H38 Cl4 Fe2 N30 O17 -","- C33 H38 Cl4 Fe2 N30 O17 -","- C132 H152 Cl16 Fe8 N120 O68 -","4","1","","Rigamonti, Luca; Marchi, Lorenzo; Fiorini, Valentina; Stagni, Stefano; Zacchini, Stefano; Pinkowicz, Dawid; Dziedzic-Kocurek, Katarzyna; Forni, Alessandra; Muniz Miranda, Francesco; Mazzoni, Rita","Trapping an unprecedented octacoordinated iron(II) complex with neutral bis-tetrazolylpyridyl ligands and solvent molecules.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3490","3498","10.1039/d3dt04026g","","","0.71073","MoKα","","0.0721","0.0633","","","0.1222","0.1253","","","","","","1.23","","","","has coordinates,has disorder","290055","2024-03-04","06:30:19",""
"7715346","21.6089","0.0006","10.0066","0.0003","15.0212","0.0004","90","","96.462","0.001","90","","3227.42","0.16","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H25 Cl2 Fe N19 O10 -","- C20 H25 Cl2 Fe N19 O10 -","- C80 H100 Cl8 Fe4 N76 O40 -","4","0.5","","Rigamonti, Luca; Marchi, Lorenzo; Fiorini, Valentina; Stagni, Stefano; Zacchini, Stefano; Pinkowicz, Dawid; Dziedzic-Kocurek, Katarzyna; Forni, Alessandra; Muniz Miranda, Francesco; Mazzoni, Rita","Trapping an unprecedented octacoordinated iron(II) complex with neutral bis-tetrazolylpyridyl ligands and solvent molecules.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3490","3498","10.1039/d3dt04026g","","","0.71073","MoKα","","0.0445","0.0432","","","0.1078","0.1088","","","","","","1.079","","","","has coordinates,has disorder","290055","2024-03-04","06:30:21",""
"7715347","13.2592","0.0003","13.7152","0.0003","31.6336","0.0007","90","","99.464","0.001","90","","5674.4","0.2","270","2","270","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","red crystals","","","- C33 H38 Cl4 Fe2 N30 O17 -","- C33 H38 Cl4 Fe2 N30 O17 -","- C132 H152 Cl16 Fe8 N120 O68 -","4","1","","Rigamonti, Luca; Marchi, Lorenzo; Fiorini, Valentina; Stagni, Stefano; Zacchini, Stefano; Pinkowicz, Dawid; Dziedzic-Kocurek, Katarzyna; Forni, Alessandra; Muniz Miranda, Francesco; Mazzoni, Rita","Trapping an unprecedented octacoordinated iron(II) complex with neutral bis-tetrazolylpyridyl ligands and solvent molecules.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3490","3498","10.1039/d3dt04026g","","","0.71073","MoKα","","0.1041","0.0871","","","0.1652","0.1723","","","","","","1.221","","","","has coordinates,has disorder","290055","2024-03-04","06:30:22",""
"7715348","13.4719","0.0001","14.866","0.0001","24.064","0.0002","90","","90","","90","","4819.38","0.06","99.99","0.1","99.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H53 Cl4 Dy2 N7 O15 -","- C31 H46 Cl4 Dy2 N6 O13 -","- C124 H184 Cl16 Dy8 N24 O52 -","4","1","","Qin, Wen-Wen; Long, Bing-Fan; Zhu, Zhong-Hong; Wang, Hai-Ling; Liang, Fu-Pei; Zou, Hua-Hong","Coordination recognition of differential template units of lanthanide chiral chain.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3675","3684","10.1039/d3dt04028c","","x-ray","1.54184","CuKα","","0.0464","0.0451","","","0.1242","0.1249","","","","","","1.092","","","","has coordinates","290056","2024-03-04","06:30:58",""
"7715349","13.0603","0.0001","17.6285","0.0002","17.9734","0.0002","90","","90","","90","","4138.08","0.07","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H43 Cl4 Dy2 N6 O13 -","- C28 H33 Cl4 Dy2 N6 O10 -","- C112 H132 Cl16 Dy8 N24 O40 -","4","1","","Qin, Wen-Wen; Long, Bing-Fan; Zhu, Zhong-Hong; Wang, Hai-Ling; Liang, Fu-Pei; Zou, Hua-Hong","Coordination recognition of differential template units of lanthanide chiral chain.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3675","3684","10.1039/d3dt04028c","","x-ray","1.54184","CuKα","","0.0416","0.0403","","","0.1038","0.1046","","","","","","1.045","","","","has coordinates","290056","2024-03-04","06:30:58",""
"7715350","13.075","0.0001","17.6728","0.0002","18.0533","0.0002","90","","90","","90","","4171.61","0.07","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H45 Cl4 Dy2 N6 O13 -","- C28 H33 Cl4 Dy2 N6 O10 -","- C112 H132 Cl16 Dy8 N24 O40 -","4","1","","Qin, Wen-Wen; Long, Bing-Fan; Zhu, Zhong-Hong; Wang, Hai-Ling; Liang, Fu-Pei; Zou, Hua-Hong","Coordination recognition of differential template units of lanthanide chiral chain.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3675","3684","10.1039/d3dt04028c","","x-ray","1.54184","CuKα","","0.0406","0.039","","","0.0992","0.1004","","","","","","1.03","","","","has coordinates","290056","2024-03-04","06:30:58",""
"7715351","13.4764","0.0001","14.8666","0.0001","24.0565","0.0002","90","","90","","90","","4819.68","0.06","99.99","0.1","99.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H54 Cl4 Dy2 N6 O15 -","- C31 H46 Cl4 Dy2 N6 O13 -","- C124 H184 Cl16 Dy8 N24 O52 -","4","1","","Qin, Wen-Wen; Long, Bing-Fan; Zhu, Zhong-Hong; Wang, Hai-Ling; Liang, Fu-Pei; Zou, Hua-Hong","Coordination recognition of differential template units of lanthanide chiral chain.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3675","3684","10.1039/d3dt04028c","","x-ray","1.54184","CuKα","","0.0437","0.0431","","","0.1135","0.1138","","","","","","1.115","","","","has coordinates","290056","2024-03-04","06:30:59",""
"7715352","15.6248","0.0001","14.6543","0.0001","19.2404","0.0002","90","","99.873","0.001","90","","4340.24","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C98 H122 N10 O2 Zn2 -","- C98 H122 N10 O2 Zn2 -","- C196 H244 N20 O4 Zn4 -","2","0.5","","Patro, A. Ganesh; Sahoo, Rajata Kumar; Nembenna, Sharanappa","Zinc hydride catalyzed hydroboration of esters.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3621","3628","10.1039/d3dt04084d","","x-ray","1.54184","CuKα","","0.0731","0.0688","","","0.1638","0.1647","","","","","","1.071","","","","has coordinates","290057","2024-03-04","06:31:40",""
"7715353","22.337","0.002","22.337","0.002","7.648","0.003","90","","90","","90","","3815.9","1.6","298.65","","298.65","","","","","","","","","5","I 41/a :1","I 4bw -1bw","88","","","?KB(OCH3)4?","- C4 H12 B K O4 -","- C4 B K O4 -","- C64 B16 K16 O64 -","16","1","","Berger, Amanda; Ibrahim, Ainee; Hales, Thomas A.; D'Angelo, Anita M; Buckley, Craig E.; Paskevicius, Mark","Alkali metal alkoxyborate ester salts; a contemporary look at old compounds.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3638","3653","10.1039/d3dt03721e","","","0.774863","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","290058","2024-03-04","06:32:00",""
"7715354","12.8808","0.0003","20.5335","0.0005","17.2688","0.0004","90","","97.894","0.002","90","","4524.11","0.19","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C92 H82 F6 Fe3 N14 O6 P4 S2 -","- C92 H82 F6 Fe3 N14 O6 P4 S2 -","- C184 H164 F12 Fe6 N28 O12 P8 S4 -","2","0.5","","Huang, Ying-Ying; He, Yong; Liu, Yang; Fu, Jin-Hui; Liu, Xiao-Lin; Wu, Xin-Tao; Sheng, Tian-Lu","Fine-tuning of thermally induced SCO behaviors of trinuclear cyanido-bridged complexes by regulating the electron donating ability of C<sub>CN</sub>-terminal fragments.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3777","3784","10.1039/d3dt04226j","","x-ray","1.3405","GaKα","","0.1303","0.0869","","","0.2035","0.2251","","","","","","1.064","","","","has coordinates","290059","2024-03-04","06:32:38",""
"7715355","11.8086","0.0002","14.1394","0.0003","15.534","0.0004","70.707","0.002","84.123","0.002","81.194","0.002","2415.41","0.1","100","18","100","18","","","","","","","","8","P -1","-P 1","2","","","","- C100 H98 F6 Fe3 N14 O6 P4 S2 -","- C100 H98 F6 Fe3 N14 O6 P4 S2 -","- C100 H98 F6 Fe3 N14 O6 P4 S2 -","1","0.5","","Huang, Ying-Ying; He, Yong; Liu, Yang; Fu, Jin-Hui; Liu, Xiao-Lin; Wu, Xin-Tao; Sheng, Tian-Lu","Fine-tuning of thermally induced SCO behaviors of trinuclear cyanido-bridged complexes by regulating the electron donating ability of C<sub>CN</sub>-terminal fragments.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3777","3784","10.1039/d3dt04226j","","x-ray","0.71073","MoKα","","0.0597","0.0422","","","0.1092","0.1179","","","","","","0.997","","","","has coordinates,has disorder","290059","2024-03-04","06:32:40",""
"7715356","12.2516","0.0002","20.5089","0.0003","19.4786","0.0003","90","","101.076","0.001","90","","4803.16","0.13","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C98 H94 F6 Fe3 N14 O6 P4 S2 -","- C98 H94 F6 Fe3 N14 O6 P4 S2 -","- C196 H188 F12 Fe6 N28 O12 P8 S4 -","2","0.5","","Huang, Ying-Ying; He, Yong; Liu, Yang; Fu, Jin-Hui; Liu, Xiao-Lin; Wu, Xin-Tao; Sheng, Tian-Lu","Fine-tuning of thermally induced SCO behaviors of trinuclear cyanido-bridged complexes by regulating the electron donating ability of C<sub>CN</sub>-terminal fragments.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3777","3784","10.1039/d3dt04226j","","x-ray","1.3405","GaKα","","0.0532","0.0444","","","0.121","0.1268","","","","","","0.987","","","","has coordinates","290059","2024-03-04","06:32:41",""
"7715357","12.0067","0.0001","14.4064","0.0001","15.5243","0.0001","71.009","0.001","84.496","0.001","81.447","0.001","2507.65","0.04","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C100 H98 F6 Fe3 N14 O6 P4 S2 -","- C100 H98 F6 Fe3 N14 O6 P4 S2 -","- C100 H98 F6 Fe3 N14 O6 P4 S2 -","1","0.5","","Huang, Ying-Ying; He, Yong; Liu, Yang; Fu, Jin-Hui; Liu, Xiao-Lin; Wu, Xin-Tao; Sheng, Tian-Lu","Fine-tuning of thermally induced SCO behaviors of trinuclear cyanido-bridged complexes by regulating the electron donating ability of C<sub>CN</sub>-terminal fragments.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3777","3784","10.1039/d3dt04226j","","x-ray","1.3405","GaKα","","0.0604","0.054","","","0.1508","0.1549","","","","","","1.043","","","","has coordinates","290059","2024-03-04","06:32:49",""
"7715358","12.1314","0.0002","14.6758","0.0003","15.4174","0.0003","71","0.002","83.364","0.002","79.993","0.002","2550.72","0.09","293","0.12","293","0.12","","","","","","","","9","P -1","-P 1","2","","","","- C100 H98 F6 Fe N14 O6 P4 Ru2 S2 -","- C100 H98 F6 Fe N14 O6 P4 Ru2 S2 -","- C100 H98 F6 Fe N14 O6 P4 Ru2 S2 -","1","0.5","","Huang, Ying-Ying; He, Yong; Liu, Yang; Fu, Jin-Hui; Liu, Xiao-Lin; Wu, Xin-Tao; Sheng, Tian-Lu","Fine-tuning of thermally induced SCO behaviors of trinuclear cyanido-bridged complexes by regulating the electron donating ability of C<sub>CN</sub>-terminal fragments.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3777","3784","10.1039/d3dt04226j","","x-ray","1.3405","GaKα","","0.0515","0.045","","","0.1332","0.1384","","","","","","1.001","","","","has coordinates","290059","2024-03-04","06:32:52",""
"7715359","10.898","0.002","11.798","0.003","15.055","0.004","87.208","0.007","75.799","0.005","78.617","0.007","1839.6","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H28 F6 Fe N12 O8 S2 -","- C28 H28 F6 Fe N12 O8 S2 -","- C56 H56 F12 Fe2 N24 O16 S4 -","2","1","","Huang, Ying-Ying; He, Yong; Liu, Yang; Fu, Jin-Hui; Liu, Xiao-Lin; Wu, Xin-Tao; Sheng, Tian-Lu","Fine-tuning of thermally induced SCO behaviors of trinuclear cyanido-bridged complexes by regulating the electron donating ability of C<sub>CN</sub>-terminal fragments.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3777","3784","10.1039/d3dt04226j","","","0.71073","MoKα","","0.09","0.0709","","","0.1807","0.2105","","","","","","1.041","","","","has coordinates","290059","2024-03-04","06:33:00",""
"7715360","8.156","0.0008","14.0106","0.0014","14.8598","0.0015","117.742","0.005","93.538","0.005","91.261","0.005","1497.5","0.3","150.15","","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H15 Er F18 N4 O3 -","- C21 H15 Er F18 N4 O3 -","- C42 H30 Er2 F36 N8 O6 -","2","1","","Zgrabik, Joshua C.; Bhuniya, Balaka; Branstad Phillips, Thomas; Barroso, Jorge; Vlaisavljevich, Bess; Daly, Scott R.","Volatile lanthanide complexes with fluorinated heptadentate ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","2998","3009","10.1039/d3dt04198k","","","0.71073","MoKα","","0.0266","0.0241","","","0.0593","0.0605","","","","","","1.068","","","","has coordinates","290060","2024-03-04","06:37:02",""
"7715361","18.1775","0.0018","10.2981","0.001","17.0455","0.0017","90","","116.043","0.005","90","","2866.8","0.5","150.15","","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 F18 N4 O3 Yb -","- C21 H15 F18 N4 O3 Yb -","- C84 H60 F72 N16 O12 Yb4 -","4","1","","Zgrabik, Joshua C.; Bhuniya, Balaka; Branstad Phillips, Thomas; Barroso, Jorge; Vlaisavljevich, Bess; Daly, Scott R.","Volatile lanthanide complexes with fluorinated heptadentate ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","2998","3009","10.1039/d3dt04198k","","","0.71073","MoKα","","0.0699","0.0372","","","0.067","0.0755","","","","","","1.028","","","","has coordinates","290060","2024-03-04","06:37:03",""
"7715362","11.9357","0.0012","13.2583","0.0013","14.1754","0.0014","102.461","0.005","98.735","0.005","115.475","0.005","1899.7","0.4","150","","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H35 F21 N4 O3 -","- C30 H35 F21 N4 O3 -","- C60 H70 F42 N8 O6 -","2","1","","Zgrabik, Joshua C.; Bhuniya, Balaka; Branstad Phillips, Thomas; Barroso, Jorge; Vlaisavljevich, Bess; Daly, Scott R.","Volatile lanthanide complexes with fluorinated heptadentate ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","2998","3009","10.1039/d3dt04198k","","","0.71073","MoKα","","0.0784","0.0465","","","0.1089","0.1256","","","","","","1.034","","","","has coordinates,has disorder","290060","2024-03-04","06:37:03",""
"7715363","9.605","0.0006","10.365","0.0007","12.3331","0.0008","73.689","0.002","71.252","0.002","89.295","0.002","1111.77","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H23 F9 N4 O3 -","- C18 H23 F9 N4 O3 -","- C36 H46 F18 N8 O6 -","2","1","","Zgrabik, Joshua C.; Bhuniya, Balaka; Branstad Phillips, Thomas; Barroso, Jorge; Vlaisavljevich, Bess; Daly, Scott R.","Volatile lanthanide complexes with fluorinated heptadentate ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","2998","3009","10.1039/d3dt04198k","","","0.71073","MoKα","","0.0679","0.0437","","","0.1027","0.1172","","","","","","1.032","","","","has coordinates,has disorder","290060","2024-03-04","06:37:04",""
"7715364","10.0912","0.001","10.4385","0.001","17.6508","0.0018","89.53","0.005","86.742","0.005","86.666","0.005","1853.1","0.3","150.15","","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H14 F30 N4 O3 Yb -","- C27 H14 F30 N4 O3 Yb -","- C54 H28 F60 N8 O6 Yb2 -","2","1","","Zgrabik, Joshua C.; Bhuniya, Balaka; Branstad Phillips, Thomas; Barroso, Jorge; Vlaisavljevich, Bess; Daly, Scott R.","Volatile lanthanide complexes with fluorinated heptadentate ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","2998","3009","10.1039/d3dt04198k","","","0.71073","MoKα","","0.0298","0.0292","","","0.0769","0.0776","","","","","","1.087","","","","has coordinates,has disorder","290060","2024-03-04","06:37:04",""
"7715365","19.726","0.0019","19.9703","0.0019","15.5564","0.0015","90","","90","","90","","6128.2","1","150.15","","150.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H34 F9 N4 O4 Yb -","- C25 H34 F9 N4 O4 Yb -","- C200 H272 F72 N32 O32 Yb8 -","8","1","","Zgrabik, Joshua C.; Bhuniya, Balaka; Branstad Phillips, Thomas; Barroso, Jorge; Vlaisavljevich, Bess; Daly, Scott R.","Volatile lanthanide complexes with fluorinated heptadentate ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","2998","3009","10.1039/d3dt04198k","","","0.71073","MoKα","","0.0447","0.0379","","","0.0848","0.0881","","","","","","1.186","","","","has coordinates","290060","2024-03-04","06:37:05",""
"7715366","7.2329","0.0007","14.5721","0.0015","21.231","0.002","92.033","0.005","90.548","0.005","92.205","0.005","2234.5","0.4","150.15","","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H42 F21 N4 Nd O3 -","- C36 H42 F21 N4 Nd O3 -","- C72 H84 F42 N8 Nd2 O6 -","2","1","","Zgrabik, Joshua C.; Bhuniya, Balaka; Branstad Phillips, Thomas; Barroso, Jorge; Vlaisavljevich, Bess; Daly, Scott R.","Volatile lanthanide complexes with fluorinated heptadentate ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","2998","3009","10.1039/d3dt04198k","","","0.71073","MoKα","","0.0333","0.0275","","","0.0587","0.0618","","","","","","1.066","","","","has coordinates","290060","2024-03-04","06:37:05",""
"7715367","14.2708","0.0013","17.2871","0.0017","17.33","0.0015","105.786","0.007","100.35","0.007","113.369","0.007","3570.9","0.7","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C76 H80 Ge2 P2 -","- C76 H80 Ge2 P2 -","- C152 H160 Ge4 P4 -","2","1","","Krämer, Felix; Wenzel, Jonas O.; Fernández, Israel; Breher, Frank","Intramolecular dearomative 1,4-addition of silyl and germyl radicals to a phenyl moiety.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","2917","2921","10.1039/d4dt00089g","","x-ray","0.71073","MoKα","","0.0984","0.0544","","","0.1331","0.1528","","","","","","1.042","","","","has coordinates","290061","2024-03-04","06:38:01",""
"7715368","11.3973","0.0004","8.7653","0.0003","38.0302","0.0014","90","","90.076","0.003","90","","3799.2","0.2","180","0.1","180","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H52 Al N2 O2 -","- C44 H53 Al N2 O2 -","- C176 H212 Al4 N8 O8 -","4","1","","Yan, Ben; Ma, Xiaoli; Pang, Ziyuan; Yang, Zhi","Chemoselective Luche-type reduction of α,β-unsaturated ketones by aluminium hydride catalysis.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4127","4131","10.1039/d3dt03987k","","x-ray","0.71073","MoKα","","0.0591","0.0417","","","0.1008","0.1087","","","","","","1.05","","","","has coordinates","290062","2024-03-04","06:41:17",""
"7715369","23.8578","0.0015","11.8686","0.0006","15.7892","0.0007","90","","100.681","0.005","90","","4393.4","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H31 Al N2 -","- C24 H31 Al N2 -","- C192 H248 Al8 N16 -","8","1","","Wei, Biao; Wang, Chaoqun; Miao, Hui; Qin, Zhibiao; Huang, Mengna; Xu, Yan; Xue, Wenhui; Yang, Shucheng; Liu, Chenxu; Bai, Cuibing; Chen, Zheng","Novel bidentate <i>N</i>-coordinated alkylaluminum complexes: synthesis, characterization, and efficient catalysis for hydrophosphonylation.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4185","4193","10.1039/d3dt04087a","","x-ray","0.71073","MoKα","","0.1129","0.0584","","","0.1714","0.2015","","","","","","0.969","","","","has coordinates","290063","2024-03-04","06:42:28",""
"7715370","8.9561","0.0005","14.6783","0.0008","14.9503","0.0008","90","","90.965","0.004","90","","1965.09","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 Al N2 -","- C23 H23 Al N2 -","- C92 H92 Al4 N8 -","4","1","","Wei, Biao; Wang, Chaoqun; Miao, Hui; Qin, Zhibiao; Huang, Mengna; Xu, Yan; Xue, Wenhui; Yang, Shucheng; Liu, Chenxu; Bai, Cuibing; Chen, Zheng","Novel bidentate <i>N</i>-coordinated alkylaluminum complexes: synthesis, characterization, and efficient catalysis for hydrophosphonylation.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4185","4193","10.1039/d3dt04087a","","","0.71073","MoKα","","0.1184","0.062","","","0.1758","0.252","","","","","","0.976","","","","has coordinates","290063","2024-03-04","06:42:30",""
"7715371","16.7984","0.0009","11.7252","0.0005","20.9895","0.0009","90","","104.505","0.005","90","","4002.4","0.3","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C23 H23 Al N2 -","- C23 H23 Al N2 -","- C184 H184 Al8 N16 -","8","1","","Wei, Biao; Wang, Chaoqun; Miao, Hui; Qin, Zhibiao; Huang, Mengna; Xu, Yan; Xue, Wenhui; Yang, Shucheng; Liu, Chenxu; Bai, Cuibing; Chen, Zheng","Novel bidentate <i>N</i>-coordinated alkylaluminum complexes: synthesis, characterization, and efficient catalysis for hydrophosphonylation.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4185","4193","10.1039/d3dt04087a","","x-ray","0.71073","MoKα","","0.1131","0.0579","","","0.151","0.1775","","","","","","0.972","","","","has coordinates","290063","2024-03-04","06:42:31",""
"7715372","23.2371","0.0014","13.1513","0.0006","15.8236","0.0007","90","","100.535","0.005","90","","4754.1","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H35 Al N2 -","- C26 H35 Al N2 -","- C208 H280 Al8 N16 -","8","1","","Wei, Biao; Wang, Chaoqun; Miao, Hui; Qin, Zhibiao; Huang, Mengna; Xu, Yan; Xue, Wenhui; Yang, Shucheng; Liu, Chenxu; Bai, Cuibing; Chen, Zheng","Novel bidentate <i>N</i>-coordinated alkylaluminum complexes: synthesis, characterization, and efficient catalysis for hydrophosphonylation.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4185","4193","10.1039/d3dt04087a","","x-ray","0.71073","MoKα","","0.0895","0.0574","","","0.1627","0.1787","","","","","","1.054","","","","has coordinates","290063","2024-03-04","06:42:31",""
"7715373","12.9752","0.0007","7.9387","0.0004","17.5169","0.0009","90","","94.684","0.005","90","","1798.32","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Al N2 -","- C21 H19 Al N2 -","- C84 H76 Al4 N8 -","4","1","","Wei, Biao; Wang, Chaoqun; Miao, Hui; Qin, Zhibiao; Huang, Mengna; Xu, Yan; Xue, Wenhui; Yang, Shucheng; Liu, Chenxu; Bai, Cuibing; Chen, Zheng","Novel bidentate <i>N</i>-coordinated alkylaluminum complexes: synthesis, characterization, and efficient catalysis for hydrophosphonylation.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4185","4193","10.1039/d3dt04087a","","x-ray","0.71073","MoKα","","0.0753","0.0479","","","0.1312","0.1464","","","","","","1.074","","","","has coordinates","290063","2024-03-04","06:42:31",""
"7715374","15.165","0.0004","17.8153","0.0007","21.4406","0.0006","95.538","0.003","108.087","0.003","112.726","0.003","4921.7","0.3","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C68 H73 F4 Ho N16 O16 -","- C68 H73 F4 Ho N16 O16 -","- C136 H146 F8 Ho2 N32 O32 -","2","1","","Chen, Zhi-Chuan; Liu, Rui-Xue; Xie, Yan-Jie; Hu, Qin; Huang, Fu-Ping; Liu, Yan-Cheng; Liang, Hong","Marbofloxacin combined with heavy rare-earth ions makes better candidates for veterinary drugs: crystal structure and bio-activity studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4204","4213","10.1039/d3dt03343k","","","0.71073","MoKα","","0.0732","0.0543","","","0.1376","0.1472","","","","","","0.983","","","","has coordinates","290064","2024-03-04","06:45:00",""
"7715375","13.993","0.0007","15.1576","0.0007","20.8128","0.0006","103.479","0.003","108.075","0.004","93.355","0.004","4039.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H73 Er F4 N12 O16 -","- C72 H75 Er F4 N12 O16 -","- C144 H150 Er2 F8 N24 O32 -","2","1","","Chen, Zhi-Chuan; Liu, Rui-Xue; Xie, Yan-Jie; Hu, Qin; Huang, Fu-Ping; Liu, Yan-Cheng; Liang, Hong","Marbofloxacin combined with heavy rare-earth ions makes better candidates for veterinary drugs: crystal structure and bio-activity studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4204","4213","10.1039/d3dt03343k","","","0.71073","MoKα","","0.1215","0.0767","","","0.1812","0.2037","","","","","","0.972","","","","has coordinates,has disorder","290064","2024-03-04","06:45:06",""
"7715376","15.0203","0.0007","18.0734","0.0008","21.3637","0.0008","96.103","0.004","107.072","0.004","114.016","0.004","4891.8","0.5","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C68 H77 Dy F4 N16 O34 -","- C68 H77 Dy F4 N16 O16 -","- C136 H154 Dy2 F8 N32 O32 -","2","1","","Chen, Zhi-Chuan; Liu, Rui-Xue; Xie, Yan-Jie; Hu, Qin; Huang, Fu-Ping; Liu, Yan-Cheng; Liang, Hong","Marbofloxacin combined with heavy rare-earth ions makes better candidates for veterinary drugs: crystal structure and bio-activity studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4204","4213","10.1039/d3dt03343k","","","0.71073","MoKα","","0.1221","0.077","","","0.1968","0.2294","","","","","","1.018","","","","has coordinates","290064","2024-03-04","06:45:07",""
"7715377","15.1258","0.0006","17.7696","0.0007","21.379","0.0008","95.281","0.003","108.174","0.004","112.712","0.004","4886","0.4","150","0.14","150","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C68 H77 F4 Lu N16 O16 -","- C68 H76.388 F4 Lu N16 O16 -","- C136 H152.776 F8 Lu2 N32 O32 -","2","1","","Chen, Zhi-Chuan; Liu, Rui-Xue; Xie, Yan-Jie; Hu, Qin; Huang, Fu-Ping; Liu, Yan-Cheng; Liang, Hong","Marbofloxacin combined with heavy rare-earth ions makes better candidates for veterinary drugs: crystal structure and bio-activity studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4204","4213","10.1039/d3dt03343k","","","0.71073","MoKα","","0.0529","0.0432","","","0.1115","0.1173","","","","","","1.061","","","","has coordinates,has disorder","290064","2024-03-04","06:45:08",""
"7715378","15.0283","0.0006","18.229","0.0007","21.2597","0.0009","69.501","0.004","74.423","0.004","67.627","0.004","4982.8","0.4","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C68 H85 F4 N16 O44 Tm -","- C68 H75 F4 N16 O16 Tm -","- C136 H150 F8 N32 O32 Tm2 -","2","1","","Chen, Zhi-Chuan; Liu, Rui-Xue; Xie, Yan-Jie; Hu, Qin; Huang, Fu-Ping; Liu, Yan-Cheng; Liang, Hong","Marbofloxacin combined with heavy rare-earth ions makes better candidates for veterinary drugs: crystal structure and bio-activity studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4204","4213","10.1039/d3dt03343k","","","0.71073","MoKα","","0.1356","0.0997","","","0.2593","0.2947","","","","","","1.008","","","","has coordinates","290064","2024-03-04","06:45:08",""
"7715379","15.045","0.0009","18.2526","0.0009","21.3124","0.001","69.465","0.005","73.894","0.005","66.707","0.005","4968.1","0.5","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C68 H74 F4 N16 O60 Tb -","- C68 H74 F4 N16 O16 Tb -","- C136 H148 F8 N32 O32 Tb2 -","2","1","","Chen, Zhi-Chuan; Liu, Rui-Xue; Xie, Yan-Jie; Hu, Qin; Huang, Fu-Ping; Liu, Yan-Cheng; Liang, Hong","Marbofloxacin combined with heavy rare-earth ions makes better candidates for veterinary drugs: crystal structure and bio-activity studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4204","4213","10.1039/d3dt03343k","","","0.71073","MoKα","","0.1122","0.08","","","0.2197","0.2478","","","","","","1.039","","","","has coordinates","290064","2024-03-04","06:45:08",""
"7715380","15.1857","0.0007","17.7922","0.0009","21.4144","0.0009","95.404","0.004","108.198","0.004","112.715","0.005","4915.5","0.5","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C68 H73 F4 N16 O16 Yb -","- C68 H73 F4 N16 O16 Yb -","- C136 H146 F8 N32 O32 Yb2 -","2","1","","Chen, Zhi-Chuan; Liu, Rui-Xue; Xie, Yan-Jie; Hu, Qin; Huang, Fu-Ping; Liu, Yan-Cheng; Liang, Hong","Marbofloxacin combined with heavy rare-earth ions makes better candidates for veterinary drugs: crystal structure and bio-activity studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4204","4213","10.1039/d3dt03343k","","","0.71073","MoKα","","0.076","0.0569","","","0.129","0.1383","","","","","","0.976","","","","has coordinates","290064","2024-03-04","06:45:08",""
"7715381","15.0715","0.0011","17.909","0.0018","21.361","0.002","95.794","0.008","107.599","0.007","113.372","0.008","4881.5","0.9","149.9","0.2","149.9","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H73 F4 N16 O16 Y -","- C68 H73 F4 N16 O16 Y -","- C136 H146 F8 N32 O32 Y2 -","2","1","","Chen, Zhi-Chuan; Liu, Rui-Xue; Xie, Yan-Jie; Hu, Qin; Huang, Fu-Ping; Liu, Yan-Cheng; Liang, Hong","Marbofloxacin combined with heavy rare-earth ions makes better candidates for veterinary drugs: crystal structure and bio-activity studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4204","4213","10.1039/d3dt03343k","","","0.71073","MoKα","","0.2257","0.1238","","","0.3001","0.3591","","","","","","0.932","","","","has coordinates","290064","2024-03-04","06:45:08",""
"7715382","15.0847","0.001","17.9471","0.0013","21.4137","0.0013","95.903","0.005","107.495","0.006","113.144","0.007","4920","0.7","119.9","0.6","119.9","0.6","","","","","","","","6","P -1","-P 1","2","","","","- C68 H77 F4 Gd N16 O34 -","- C68 H77 F4 Gd N16 O34 -","- C136 H154 F8 Gd2 N32 O68 -","2","1","","Chen, Zhi-Chuan; Liu, Rui-Xue; Xie, Yan-Jie; Hu, Qin; Huang, Fu-Ping; Liu, Yan-Cheng; Liang, Hong","Marbofloxacin combined with heavy rare-earth ions makes better candidates for veterinary drugs: crystal structure and bio-activity studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4204","4213","10.1039/d3dt03343k","","","0.71073","MoKα","","0.2703","0.1893","","","0.4465","0.523","","","","","","1.636","","","","has coordinates","290064","2024-03-04","06:45:08",""
"7715383","8.55","0.0004","11.373","0.0006","16.0634","0.0006","105.021","0.0018","96.16","0.001","99.732","0.001","1468.06","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H44 Fe N2 O3 Si -","- C29 H44 Fe N2 O3 Si -","- C58 H88 Fe2 N4 O6 Si2 -","2","1","","Komuro, Takashi; Hayasaka, Kohei; Takahashi, Kasumi; Ishiwata, Nozomu; Yamauchi, Kota; Tobita, Hiromi; Hashimoto, Hisako","Iron complexes supported by silyl-NHC chelate ligands: synthesis and use for double hydroboration of nitriles.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4041","4047","10.1039/d3dt03605g","","","0.71073","MoKα","","0.1012","0.0688","","","0.1151","0.1236","","","","","","1.125","","","","has coordinates","290065","2024-03-04","06:46:27",""
"7715384","8.81","0.0004","10.8356","0.0003","16.6668","0.0008","105.883","0.002","97.718","0.0012","97.7921","0.0009","1491.44","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H44 N2 O3 Ru Si -","- C29 H44 N2 O3 Ru Si -","- C58 H88 N4 O6 Ru2 Si2 -","2","1","","Komuro, Takashi; Hayasaka, Kohei; Takahashi, Kasumi; Ishiwata, Nozomu; Yamauchi, Kota; Tobita, Hiromi; Hashimoto, Hisako","Iron complexes supported by silyl-NHC chelate ligands: synthesis and use for double hydroboration of nitriles.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4041","4047","10.1039/d3dt03605g","","","0.71073","MoKα","","0.0834","0.0588","","","0.1003","0.106","","","","","","1.115","","","","has coordinates","290065","2024-03-04","06:46:33",""
"7715385","13.5838","0.0005","8.8169","0.0004","33.9397","0.0011","90","","98.728","0.004","90","","4017.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H59 Fe N3 O4 Si -","- C41 H59 Fe N3 O4 Si -","- C164 H236 Fe4 N12 O16 Si4 -","4","1","","Komuro, Takashi; Hayasaka, Kohei; Takahashi, Kasumi; Ishiwata, Nozomu; Yamauchi, Kota; Tobita, Hiromi; Hashimoto, Hisako","Iron complexes supported by silyl-NHC chelate ligands: synthesis and use for double hydroboration of nitriles.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4041","4047","10.1039/d3dt03605g","","","0.71073","MoKα","","0.1027","0.0599","","","0.1176","0.1312","","","","","","1.011","","","","has coordinates","290065","2024-03-04","06:46:34",""
"7715386","15.1638","0.0014","3.8071","0.0004","8.2899","0.0007","90","","103.338","0.005","90","","465.67","0.08","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Compound 1","","","- C8 H6 Cd Cl2 N2 -","- C8 H6 Cd Cl2 N2 -","- C16 H12 Cd2 Cl4 N4 -","2","0.25","","Zhang, Ning-Ning; Zhang, Ya-Nan; Li, Li; Li, Zhen-Yu; Liu, Ya-Tong; Dong, Yunyun; Yan, Yong; Wang, Ming-Sheng","Photochromism and single-component white light emission from a metalloviologen complex based on 1,5-naphthyridine.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6547","6555","10.1039/d3dt04250b","","","0.71073","MoKα","","0.0333","0.0331","","","0.09","0.0903","","","","","","1.177","","","","has coordinates","291650","2024-05-05","03:08:57",""
"7715387","8.4828","0.0002","13.6588","0.0005","15.2488","0.0005","90","","90","","90","","1766.8","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Ga N2 -","- C20 H23 Ga N2 -","- C80 H92 Ga4 N8 -","4","1","","Werner, Luis; Hagn, Julika; Gerstner, Alexander; Radius, Udo","NHC-ligated indenyl- and fluorenyl-substituted Alanes and Gallanes: synthons towards indenyl- and fluorenyl-bridged (AlC)<sub><i>n</i></sub>-heterocycles (<i>n</i> = 2,3).","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5932","5946","10.1039/d4dt00244j","","","1.54184","CuKα","","0.04","0.038","","","0.0961","0.0971","","","","","","1.079","","","","has coordinates","290932","2024-04-04","23:25:12",""
"7715388","17.5752","0.0003","10.5232","0.0002","38.6355","0.0008","90","","98.272","0.002","90","","7071.2","0.2","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C35 H52 Al2 N4 -","- C35 H52 Al2 N4 -","- C280 H416 Al16 N32 -","8","1","","Werner, Luis; Hagn, Julika; Gerstner, Alexander; Radius, Udo","NHC-ligated indenyl- and fluorenyl-substituted Alanes and Gallanes: synthons towards indenyl- and fluorenyl-bridged (AlC)<sub><i>n</i></sub>-heterocycles (<i>n</i> = 2,3).","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5932","5946","10.1039/d4dt00244j","","","1.54184","CuKα","","0.0654","0.0545","","","0.1298","0.1359","","","","","","1.073","","","","has coordinates","290932","2024-04-04","23:25:12",""
"7715389","12.2976","0.0002","11.6671","0.0001","15.7205","0.0002","90","","107.158","0.002","90","","2155.15","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 Al N2 -","- C25 H27 Al N2 -","- C100 H108 Al4 N8 -","4","1","","Werner, Luis; Hagn, Julika; Gerstner, Alexander; Radius, Udo","NHC-ligated indenyl- and fluorenyl-substituted Alanes and Gallanes: synthons towards indenyl- and fluorenyl-bridged (AlC)<sub><i>n</i></sub>-heterocycles (<i>n</i> = 2,3).","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5932","5946","10.1039/d4dt00244j","","","1.54184","CuKα","","0.0444","0.0403","","","0.1046","0.107","","","","","","1.047","","","","has coordinates,has disorder","290932","2024-04-04","23:25:12",""
"7715390","13.5308","0.0001","14.2125","0.0001","21.8135","0.0002","90","","97.108","0.001","90","","4162.64","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H61 Al2 N4 -","- C43 H61 Al2 N4 -","- C172 H244 Al8 N16 -","4","1","","Werner, Luis; Hagn, Julika; Gerstner, Alexander; Radius, Udo","NHC-ligated indenyl- and fluorenyl-substituted Alanes and Gallanes: synthons towards indenyl- and fluorenyl-bridged (AlC)<sub><i>n</i></sub>-heterocycles (<i>n</i> = 2,3).","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5932","5946","10.1039/d4dt00244j","","","1.54184","CuKα","","0.0594","0.0555","","","0.1538","0.1579","","","","","","1.066","","","","has coordinates","290932","2024-04-04","23:25:12",""
"7715391","12.3946","0.0002","16.3096","0.0002","33.9295","0.0005","90","","90","","90","","6858.88","0.17","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H25 Ga N2 -","- C18 H25 Ga N2 -","- C288 H400 Ga16 N32 -","16","2","","Werner, Luis; Hagn, Julika; Gerstner, Alexander; Radius, Udo","NHC-ligated indenyl- and fluorenyl-substituted Alanes and Gallanes: synthons towards indenyl- and fluorenyl-bridged (AlC)<sub><i>n</i></sub>-heterocycles (<i>n</i> = 2,3).","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5932","5946","10.1039/d4dt00244j","","","1.54184","CuKα","","0.0518","0.0384","","","0.0941","0.1007","","","","","","1.021","","","","has coordinates","290932","2024-04-04","23:25:12",""
"7715392","8.361","0.0002","16.6235","0.0005","18.8508","0.0004","100.766","0.002","99.62","0.002","92.091","0.002","2531.54","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H65 Al3 N6 -","- C55 H65 Al3 N6 -","- C110 H130 Al6 N12 -","2","1","","Werner, Luis; Hagn, Julika; Gerstner, Alexander; Radius, Udo","NHC-ligated indenyl- and fluorenyl-substituted Alanes and Gallanes: synthons towards indenyl- and fluorenyl-bridged (AlC)<sub><i>n</i></sub>-heterocycles (<i>n</i> = 2,3).","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5932","5946","10.1039/d4dt00244j","","","1.54184","CuKα","","0.1185","0.0884","","","0.2099","0.2249","","","","","","1.093","","","","has coordinates,has disorder","290932","2024-04-04","23:25:12",""
"7715393","12.1439","0.0001","13.0413","0.0002","16.6824","0.0002","82.008","0.001","88.627","0.001","84.549","0.001","2604.38","0.06","99.9","0.6","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H31 Al N2 -","- C33 H31 Al N2 -","- C132 H124 Al4 N8 -","4","2","","Werner, Luis; Hagn, Julika; Gerstner, Alexander; Radius, Udo","NHC-ligated indenyl- and fluorenyl-substituted Alanes and Gallanes: synthons towards indenyl- and fluorenyl-bridged (AlC)<sub><i>n</i></sub>-heterocycles (<i>n</i> = 2,3).","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5932","5946","10.1039/d4dt00244j","","","1.54184","CuKα","","0.0442","0.0386","","","0.0957","0.0991","","","","","","1.022","","","","has coordinates","290932","2024-04-04","23:25:12",""
"7715394","9.7049","0.0002","10.1111","0.0002","10.2297","0.0002","96.732","0.001","103.215","0.002","114.685","0.002","861.88","0.04","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C43 H45 Al N2 -","- C43 H45 Al N2 -","- C43 H45 Al N2 -","1","1","","Werner, Luis; Hagn, Julika; Gerstner, Alexander; Radius, Udo","NHC-ligated indenyl- and fluorenyl-substituted Alanes and Gallanes: synthons towards indenyl- and fluorenyl-bridged (AlC)<sub><i>n</i></sub>-heterocycles (<i>n</i> = 2,3).","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5932","5946","10.1039/d4dt00244j","","","1.54184","CuKα","","0.0282","0.0278","","","0.0739","0.0743","","","","","","1.036","","","","has coordinates","290932","2024-04-04","23:25:12",""
"7715395","8.3243","0.0002","9.3597","0.0003","10.9459","0.0003","110.61","0.002","100.206","0.002","103.225","0.002","745.34","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H21 Al N2 -","- C16 H21 Al N2 -","- C32 H42 Al2 N4 -","2","1","","Werner, Luis; Hagn, Julika; Gerstner, Alexander; Radius, Udo","NHC-ligated indenyl- and fluorenyl-substituted Alanes and Gallanes: synthons towards indenyl- and fluorenyl-bridged (AlC)<sub><i>n</i></sub>-heterocycles (<i>n</i> = 2,3).","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5932","5946","10.1039/d4dt00244j","","","1.54184","CuKα","","0.0489","0.0433","","","0.1143","0.1181","","","","","","1.055","","","","has coordinates","290932","2024-04-04","23:25:12",""
"7715396","15.9887","0.0001","10.2365","0.0001","19.4053","0.0002","90","","108.319","0.001","90","","3015.08","0.05","99.99","0.1","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H41 Al N2 -","- C37 H41 Al N2 -","- C148 H164 Al4 N8 -","4","1","","Werner, Luis; Hagn, Julika; Gerstner, Alexander; Radius, Udo","NHC-ligated indenyl- and fluorenyl-substituted Alanes and Gallanes: synthons towards indenyl- and fluorenyl-bridged (AlC)<sub><i>n</i></sub>-heterocycles (<i>n</i> = 2,3).","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5932","5946","10.1039/d4dt00244j","","","1.54184","CuKα","","0.0391","0.0367","","","0.0934","0.0952","","","","","","1.063","","","","has coordinates","290932","2024-04-04","23:25:12",""
"7715397","12.6278","0.0002","16.157","0.0002","21.6852","0.0004","90","","106.42","0.002","90","","4243.93","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H58 Al2 N4 -","- C48 H58 Al2 N4 -","- C192 H232 Al8 N16 -","4","1","","Werner, Luis; Hagn, Julika; Gerstner, Alexander; Radius, Udo","NHC-ligated indenyl- and fluorenyl-substituted Alanes and Gallanes: synthons towards indenyl- and fluorenyl-bridged (AlC)<sub><i>n</i></sub>-heterocycles (<i>n</i> = 2,3).","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5932","5946","10.1039/d4dt00244j","","","1.54184","CuKα","","0.0479","0.04","","","0.1063","0.1117","","","","","","1.065","","","","has coordinates","290932","2024-04-04","23:25:12",""
"7715398","13.0769","0.0005","8.4982","0.0002","19.2047","0.0008","90","","108.432","0.004","90","","2024.73","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 Ga N2 -","- C22 H27 Ga N2 -","- C88 H108 Ga4 N8 -","4","1","","Werner, Luis; Hagn, Julika; Gerstner, Alexander; Radius, Udo","NHC-ligated indenyl- and fluorenyl-substituted Alanes and Gallanes: synthons towards indenyl- and fluorenyl-bridged (AlC)<sub><i>n</i></sub>-heterocycles (<i>n</i> = 2,3).","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5932","5946","10.1039/d4dt00244j","","","0.71073","MoKα","","0.0475","0.0317","","","0.0674","0.0714","","","","","","1.049","","","","has coordinates","290932","2024-04-04","23:25:12",""
"7715399","19.1995","0.0005","10.2452","0.0001","17.07","0.0003","90","","114.13","0.003","90","","3064.32","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H44 Al2 N4 -","- C31 H44 Al2 N4 -","- C124 H176 Al8 N16 -","4","1","","Werner, Luis; Hagn, Julika; Gerstner, Alexander; Radius, Udo","NHC-ligated indenyl- and fluorenyl-substituted Alanes and Gallanes: synthons towards indenyl- and fluorenyl-bridged (AlC)<sub><i>n</i></sub>-heterocycles (<i>n</i> = 2,3).","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5932","5946","10.1039/d4dt00244j","","","1.54184","CuKα","","0.0728","0.0548","","","0.154","0.1661","","","","","","1.055","","","","has coordinates","290932","2024-04-04","23:25:12",""
"7715400","13.0917","0.0002","8.5185","0.0001","19.1232","0.0003","90","","108.315","0.002","90","","2024.62","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 Al N2 -","- C22 H27 Al N2 -","- C88 H108 Al4 N8 -","4","1","","Werner, Luis; Hagn, Julika; Gerstner, Alexander; Radius, Udo","NHC-ligated indenyl- and fluorenyl-substituted Alanes and Gallanes: synthons towards indenyl- and fluorenyl-bridged (AlC)<sub><i>n</i></sub>-heterocycles (<i>n</i> = 2,3).","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5932","5946","10.1039/d4dt00244j","","","1.54184","CuKα","","0.049","0.0449","","","0.1283","0.1325","","","","","","1.078","","","","has coordinates","290932","2024-04-04","23:25:12",""
"7715401","8.4966","0.0002","13.6726","0.0003","15.2417","0.0003","90","","90","","90","","1770.64","0.07","100.01","0.1","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Al N2 -","- C20 H23 Al N2 -","- C80 H92 Al4 N8 -","4","1","","Werner, Luis; Hagn, Julika; Gerstner, Alexander; Radius, Udo","NHC-ligated indenyl- and fluorenyl-substituted Alanes and Gallanes: synthons towards indenyl- and fluorenyl-bridged (AlC)<sub><i>n</i></sub>-heterocycles (<i>n</i> = 2,3).","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5932","5946","10.1039/d4dt00244j","","","1.54184","CuKα","","0.0385","0.0358","","","0.0909","0.0927","","","","","","1.066","","","","has coordinates","290932","2024-04-04","23:25:12",""
"7715402","8.6951","0.0002","12.8561","0.0002","20.8697","0.0003","90","","101.996","0.002","90","","2281.97","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 Al N2 -","- C27 H31 Al N2 -","- C108 H124 Al4 N8 -","4","1","","Werner, Luis; Hagn, Julika; Gerstner, Alexander; Radius, Udo","NHC-ligated indenyl- and fluorenyl-substituted Alanes and Gallanes: synthons towards indenyl- and fluorenyl-bridged (AlC)<sub><i>n</i></sub>-heterocycles (<i>n</i> = 2,3).","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5932","5946","10.1039/d4dt00244j","","","1.54184","CuKα","","0.0539","0.0434","","","0.1083","0.1142","","","","","","1.07","","","","has coordinates","290932","2024-04-04","23:25:12",""
"7715403","11.0236","0.0003","11.024","0.0003","21.0862","0.0006","90","","97.75","0.002","90","","2539.08","0.12","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7.8 H27 In3 N5.4 S8 Sn -","- In3 S8 Sn -","- In12 S32 Sn4 -","4","0.5","","Yang, Lu; Wen, Xin; Yang, Tian; Hu, Qian-Qian; Liu, Jia-Ting; Yin, Hai-Yan; Ablez, Abdusalam; Feng, Mei-Ling; Huang, Xiao-Ying","(C<sub>6</sub>H<sub>15</sub>N<sub>3</sub>)<sub>1.3</sub>(NH<sub>4</sub>)<sub>1.5</sub>H<sub>1.5</sub>In<sub>3</sub>SnS<sub>8</sub>: a layered metal sulfide based on supertetrahedral T2 clusters with photoelectric response and ion exchange properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","6063","6069","10.1039/d4dt00262h","","","0.71073","MoKα","","0.0474","0.0408","","","0.1049","0.1089","","","","","","1.182","","","","has coordinates","290942","2024-04-04","23:27:00",""
"7715404","9.8836","0.0002","15.5639","0.0003","12.5827","0.0003","90","","96.221","0.002","90","","1924.17","0.07","170","0.1","170","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 Dy2 N12 O14 -","- C32 H34 Dy2 N12 O14 -","- C64 H68 Dy4 N24 O28 -","2","0.5","","Liu, Cai-Ming; Hao, Xiang; Zhu, Dong-Mei; Zhang, Yi-Quan","Effect of coordinated anions on ferromagnetically coupled Dy<sub>2</sub> zero-field single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","6120","6127","10.1039/d4dt00293h","","x-ray","0.71073","MoKα","","0.019","0.0159","","","0.0395","0.0405","","","","","","1.037","","","","has coordinates","290939","2024-04-04","23:26:21",""
"7715405","9.7169","0.0007","15.6055","0.001","13.0505","0.0009","90","","99.551","0.008","90","","1951.5","0.2","170.01","0.1","170.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 Dy2 N10 O12 -","- C36 H40 Dy2 N10 O12 -","- C72 H80 Dy4 N20 O24 -","2","0.5","","Liu, Cai-Ming; Hao, Xiang; Zhu, Dong-Mei; Zhang, Yi-Quan","Effect of coordinated anions on ferromagnetically coupled Dy<sub>2</sub> zero-field single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","6120","6127","10.1039/d4dt00293h","","x-ray","0.71073","MoKα","","0.045","0.0335","","","0.0805","0.0843","","","","","","1.034","","","","has coordinates","290939","2024-04-04","23:26:22",""
"7715406","11.28","0.0002","13.6848","0.0003","20.1615","0.0005","100.924","0.001","104.526","0.001","94.446","0.001","2932.43","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H30 Er2 F36 O6 -","- C54 H30 Er2 F36 O6 -","- C108 H60 Er4 F72 O12 -","2","1","","Selikhov, Alexander N.; Félix, Gautier; Lyubov, Dmitry M.; Nelyubina, Yulia V.; Cherkasov, Anton V.; Sene, Saad; Taydakov, Ilya V.; Metlin, Mikhail T.; Tyutyunov, Andrey A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Luminescent Er<sup>3+</sup> based single molecule magnets with fluorinated alkoxide or aryloxide ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","14","6352","6366","10.1039/d3dt04375d","","","0.71073","MoKα","","0.0382","0.0304","","","0.0678","0.071","","","","","","1.061","","","","has coordinates","290947","2024-04-04","23:28:24",""
"7715407","14.7886","0.0004","15.4929","0.0004","18.0735","0.0004","94.937","0.001","112.07","0.001","96.026","0.001","3780.78","0.17","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C63 H19 Er F45 N O3 Si2 -","- C63 H19 Er F45 N O3 Si2 -","- C126 H38 Er2 F90 N2 O6 Si4 -","2","1","","Selikhov, Alexander N.; Félix, Gautier; Lyubov, Dmitry M.; Nelyubina, Yulia V.; Cherkasov, Anton V.; Sene, Saad; Taydakov, Ilya V.; Metlin, Mikhail T.; Tyutyunov, Andrey A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Luminescent Er<sup>3+</sup> based single molecule magnets with fluorinated alkoxide or aryloxide ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","14","6352","6366","10.1039/d3dt04375d","","","0.71073","MoKα","","0.0663","0.0477","","","0.1051","0.1125","","","","","","0.996","","","","has coordinates","290947","2024-04-04","23:28:24",""
"7715408","13.5916","0.0006","15.045","0.0005","18.6919","0.0008","73.966","0.003","79.56","0.003","64.614","0.002","3310.1","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H8 Er F45 O3 -","- C64 H8 Er F45 O3 -","- C128 H16 Er2 F90 O6 -","2","1","","Selikhov, Alexander N.; Félix, Gautier; Lyubov, Dmitry M.; Nelyubina, Yulia V.; Cherkasov, Anton V.; Sene, Saad; Taydakov, Ilya V.; Metlin, Mikhail T.; Tyutyunov, Andrey A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Luminescent Er<sup>3+</sup> based single molecule magnets with fluorinated alkoxide or aryloxide ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","14","6352","6366","10.1039/d3dt04375d","","","0.71073","MoKα","","0.1312","0.0725","","","0.1473","0.1673","","","","","","0.958","","","","has coordinates,has disorder","290947","2024-04-04","23:28:24",""
"7715409","17.2887","0.0003","17.2887","0.0003","35.2684","0.0005","90","","90","","120","","9129.4","0.3","100","","100","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C60 H10 Er F45 O4 Si -","- C60 H9.9999 Er F45 O3.9999 Si -","- C360 H59.9994 Er6 F270 O23.9994 Si6 -","6","0.333333","","Selikhov, Alexander N.; Félix, Gautier; Lyubov, Dmitry M.; Nelyubina, Yulia V.; Cherkasov, Anton V.; Sene, Saad; Taydakov, Ilya V.; Metlin, Mikhail T.; Tyutyunov, Andrey A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Luminescent Er<sup>3+</sup> based single molecule magnets with fluorinated alkoxide or aryloxide ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","14","6352","6366","10.1039/d3dt04375d","","","0.71073","MoKα","","0.0363","0.0324","","","0.0899","0.0935","","","","","","1.08","","","","has coordinates,has disorder","290947","2024-04-04","23:28:24",""
"7715410","15.025","0.0004","15.1826","0.0004","15.506","0.0004","84.472","0.001","83.219","0.002","83.909","0.002","3480.03","0.16","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H13 Er F45 N O3 -","- C66 H13 Er F45 N O3 -","- C132 H26 Er2 F90 N2 O6 -","2","1","","Selikhov, Alexander N.; Félix, Gautier; Lyubov, Dmitry M.; Nelyubina, Yulia V.; Cherkasov, Anton V.; Sene, Saad; Taydakov, Ilya V.; Metlin, Mikhail T.; Tyutyunov, Andrey A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Luminescent Er<sup>3+</sup> based single molecule magnets with fluorinated alkoxide or aryloxide ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","14","6352","6366","10.1039/d3dt04375d","","","0.71073","MoKα","","0.0528","0.0427","","","0.0995","0.1044","","","","","","1.017","","","","has coordinates,has disorder","290947","2024-04-04","23:28:24",""
"7715411","13.0247","0.0001","14.1193","0.0001","27.7895","0.0002","84.477","0.001","83.568","0.001","72.683","0.001","4837.46","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C122.5 H119 Er O4 -","- C122.5 H119 Er O4 -","- C245 H238 Er2 O8 -","2","1","","Selikhov, Alexander N.; Félix, Gautier; Lyubov, Dmitry M.; Nelyubina, Yulia V.; Cherkasov, Anton V.; Sene, Saad; Taydakov, Ilya V.; Metlin, Mikhail T.; Tyutyunov, Andrey A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Luminescent Er<sup>3+</sup> based single molecule magnets with fluorinated alkoxide or aryloxide ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","14","6352","6366","10.1039/d3dt04375d","","","0.71073","MoKα","","0.036","0.032","","","0.0724","0.074","","","","","","1.063","","","","has coordinates,has disorder","290947","2024-04-04","23:28:24",""
"7715412","19.0038","0.0011","18.2175","0.0009","24.5942","0.0012","90","","102.266","0.002","90","","8320.2","0.8","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C98 H88 N2 O6 Pr Si4 -","- C98 H88 N2 O6 Pr Si4 -","- C392 H352 N8 O24 Pr4 Si16 -","4","1","","Xue, Tianjiao; Ding, You-Song; Zheng, Zhiping","A tetravalent praseodymium complex with field-induced slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5779","5783","10.1039/d4dt00052h","","","0.71073","MoKα","","0.0752","0.0522","","","0.1071","0.1179","","","","","","1.06","","","","has coordinates","290928","2024-04-04","23:22:54",""
"7715413","14.6493","0.0005","16.2996","0.0005","14.677","0.0005","90","","115.084","0.0013","90","","3174.02","0.18","100.01","","100.01","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C70 H77 O7 Pr Si3 -","- C70 H77 O7 Pr Si3 -","- C140 H154 O14 Pr2 Si6 -","2","1","","Xue, Tianjiao; Ding, You-Song; Zheng, Zhiping","A tetravalent praseodymium complex with field-induced slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5779","5783","10.1039/d4dt00052h","","","0.71073","MoKα","","0.0533","0.0447","","","0.1052","0.1111","","","","","","1.04","","","","has coordinates","290928","2024-04-04","23:22:54",""
"7715414","17.1044","0.0019","18.958","0.002","24.198","0.002","90","","99.729","0.004","90","","7733.7","1.3","101.15","","101.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C91 H80 N2 O6 Pr Si4 -","- C91 H80 N2 O6 Pr Si4 -","- C364 H320 N8 O24 Pr4 Si16 -","4","1","","Xue, Tianjiao; Ding, You-Song; Zheng, Zhiping","A tetravalent praseodymium complex with field-induced slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5779","5783","10.1039/d4dt00052h","","","0.71073","MoKα","","0.1305","0.0652","","","0.1216","0.1474","","","","","","1.096","","","","has coordinates","290928","2024-04-04","23:22:54",""
"7715415","9.0717","0.0008","9.9041","0.0007","22.0498","0.0019","77.049","0.003","78.483","0.004","79.415","0.004","1871.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","H2L4","","- C43 H54 N2 O2 -","- C43 H54 N2 O2 -","- C86 H108 N4 O4 -","2","1","","Fernández-Fariña, Sandra; Maneiro, Marcelino; Zaragoza, Guillermo; Seco, José M; Pedrido, Rosa; González-Noya, Ana M","Nickel, copper, and zinc dinuclear helicates: how do bulky groups influence their architecture?","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5676","5685","10.1039/d4dt00279b","","x-ray","0.71073","MoKα","","0.0768","0.0487","","","0.1242","0.1455","","","","","","1.032","","","","has coordinates","290988","2024-04-04","23:39:37",""
"7715416","9.9049","0.0012","13.189","0.0019","15.798","0.002","67.796","0.005","82.499","0.005","76.969","0.005","1859.2","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","H2L5","","- C43 H54 N2 O2 -","- C43 H54 N2 O2 -","- C86 H108 N4 O4 -","2","1","","Fernández-Fariña, Sandra; Maneiro, Marcelino; Zaragoza, Guillermo; Seco, José M; Pedrido, Rosa; González-Noya, Ana M","Nickel, copper, and zinc dinuclear helicates: how do bulky groups influence their architecture?","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5676","5685","10.1039/d4dt00279b","","x-ray","0.71073","MoKα","","0.1102","0.0652","","","0.1157","0.1349","","","","","","1.073","","","","has coordinates","290988","2024-04-04","23:39:37",""
"7715417","19.6676","0.0009","17.5879","0.0008","23.6719","0.0017","90","","101.008","0.002","90","","8037.7","0.8","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","Ni2(L3)2","","- C88 H108 Cl4 N4 Ni2 O4 -","- C88 H108 Cl4 N4 Ni2 O4 -","- C352 H432 Cl16 N16 Ni8 O16 -","4","0.5","","Fernández-Fariña, Sandra; Maneiro, Marcelino; Zaragoza, Guillermo; Seco, José M; Pedrido, Rosa; González-Noya, Ana M","Nickel, copper, and zinc dinuclear helicates: how do bulky groups influence their architecture?","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5676","5685","10.1039/d4dt00279b","","x-ray","0.7107","MoKα","","0.0749","0.0457","","","0.1091","0.1231","","","","","","1.02","","","","has coordinates","290988","2024-04-04","23:39:37",""
"7715418","11.9567","0.0006","14.1684","0.0005","20.5193","0.001","88.561","0.002","74.498","0.002","79.166","0.002","3288.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Zn2(L1)2","","- C72.8 H83.2 N4 O6.8 Zn2 -","- C72.8 H83.2 N4 O6.8 Zn2 -","- C145.6 H166.4 N8 O13.6 Zn4 -","2","1","","Fernández-Fariña, Sandra; Maneiro, Marcelino; Zaragoza, Guillermo; Seco, José M; Pedrido, Rosa; González-Noya, Ana M","Nickel, copper, and zinc dinuclear helicates: how do bulky groups influence their architecture?","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5676","5685","10.1039/d4dt00279b","","x-ray","0.71073","MoKα","","0.0783","0.0445","","","0.1072","0.1203","","","","","","1.055","","","","has coordinates","290988","2024-04-04","23:39:37",""
"7715419","11.723","0.0006","13.6632","0.0007","19.6313","0.0007","97.023","0.002","100.791","0.002","101.103","0.002","2989.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Ni2(L2)2","","- C72 H75 N5 Ni2 O4 -","- C72 H75 N5 Ni2 O4 -","- C144 H150 N10 Ni4 O8 -","2","1","","Fernández-Fariña, Sandra; Maneiro, Marcelino; Zaragoza, Guillermo; Seco, José M; Pedrido, Rosa; González-Noya, Ana M","Nickel, copper, and zinc dinuclear helicates: how do bulky groups influence their architecture?","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5676","5685","10.1039/d4dt00279b","","x-ray","0.71073","MoKα","","0.0705","0.0468","","","0.1089","0.1228","","","","","","1.042","","","","has coordinates","290988","2024-04-04","23:39:37",""
"7715420","13.6211","0.0003","16.0269","0.0004","18.3522","0.0005","92.519","0.001","97.528","0.001","95.604","0.001","3946.3","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Cu2(L5)2","","- C178 H217 Cu4 N11 O8 -","- C178 H217 Cu4 N11 O8 -","- C178 H217 Cu4 N11 O8 -","1","0.5","","Fernández-Fariña, Sandra; Maneiro, Marcelino; Zaragoza, Guillermo; Seco, José M; Pedrido, Rosa; González-Noya, Ana M","Nickel, copper, and zinc dinuclear helicates: how do bulky groups influence their architecture?","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5676","5685","10.1039/d4dt00279b","","x-ray","0.71073","MoKα","","0.063","0.0453","","","0.1109","0.1211","","","","","","1.022","","","","has coordinates,has disorder","290988","2024-04-04","23:39:37",""
"7715421","19.7738","0.0018","17.4199","0.001","23.6472","0.0011","90","","100.801","0.001","90","","8001.2","0.9","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Cu2(L3)2","","- C90 H110 Cu2 N6 O4 -","- C90 H110 Cu2 N6 O4 -","- C360 H440 Cu8 N24 O16 -","4","0.5","","Fernández-Fariña, Sandra; Maneiro, Marcelino; Zaragoza, Guillermo; Seco, José M; Pedrido, Rosa; González-Noya, Ana M","Nickel, copper, and zinc dinuclear helicates: how do bulky groups influence their architecture?","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5676","5685","10.1039/d4dt00279b","","x-ray","0.71073","MoKα","","0.067","0.0513","","","0.0934","0.0994","","","","","","1.093","","","","has coordinates","290988","2024-04-04","23:39:37",""
"7715422","16.3465","0.0006","19.944","0.0007","25.4842","0.001","98.505","0.001","93.32","0.001","97.504","0.001","8121.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Zn2(L5)2","","- C90 H110 N6 O4 Zn2 -","- C90 H110 N6 O4 Zn2 -","- C360 H440 N24 O16 Zn8 -","4","2","","Fernández-Fariña, Sandra; Maneiro, Marcelino; Zaragoza, Guillermo; Seco, José M; Pedrido, Rosa; González-Noya, Ana M","Nickel, copper, and zinc dinuclear helicates: how do bulky groups influence their architecture?","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5676","5685","10.1039/d4dt00279b","","x-ray","0.71073","MoKα","","0.0789","0.0534","","","0.1134","0.1251","","","","","","1.076","","","","has coordinates,has disorder","290988","2024-04-04","23:39:37",""
"7715423","12.278","0.0004","10.4444","0.0003","26.2613","0.0008","90","","93.957","0.001","90","","3359.63","0.18","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H26 Cu F6 N4 O4 -","- C40 H26 Cu F6 N4 O4 -","- C160 H104 Cu4 F24 N16 O16 -","4","0.5","","Li, Yue; Fang, Jiaxin; Singh, Kuldip; Ortu, Fabrizio; Suntharalingam, Kogularamanan","An immunogenic anti-cancer stem cell bi-nuclear copper(II)-flufenamic acid complex.","Dalton transactions (Cambridge, England : 2003)","2024","53","14","6410","6415","10.1039/d4dt00384e","","","1.54178","CuKα","","0.0305","0.0304","","","0.0755","0.0756","","","","","","1.082","","","","has coordinates","290952","2024-04-04","23:29:08",""
"7715424","12.4413","0.0003","17.2045","0.0004","17.6456","0.0004","107.939","0.001","97.437","0.001","101.834","0.001","3440.93","0.14","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C75 H64 Cu2 F9 N7 O8 -","- C75 H64 Cu2 F9 N7 O8 -","- C150 H128 Cu4 F18 N14 O16 -","2","1","","Li, Yue; Fang, Jiaxin; Singh, Kuldip; Ortu, Fabrizio; Suntharalingam, Kogularamanan","An immunogenic anti-cancer stem cell bi-nuclear copper(II)-flufenamic acid complex.","Dalton transactions (Cambridge, England : 2003)","2024","53","14","6410","6415","10.1039/d4dt00384e","","","1.54178","CuKα","","0.0709","0.0549","","","0.1459","0.1593","","","","","","1.039","","","","has coordinates,has disorder","290952","2024-04-04","23:29:08",""
"7715425","15.901","0.002","11.616","0.002","15.297","0.003","90","","90","","90","","2825.4","0.8","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C36 H54 Cr2 N24 O27 -","- C36 H54 Cr2 N24 O27 -","- C72 H108 Cr4 N48 O54 -","2","0.25","","Xu, Jing; Li, Bin; Zhang, Xiu-Du; Wu, Dong; Zhao, Jiang-Lin; Chen, Kai","Selective removal of Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> in aqueous solution by nonporous pure crystals of cucurbit[6]uril.","Dalton transactions (Cambridge, England : 2003)","2024","53","14","6168","6172","10.1039/d4dt00611a","","","1.34139","GaKα","","0.174","0.1063","","","0.2534","0.285","","","","","","1.115","","","","has coordinates,has disorder","290951","2024-04-04","23:29:01",""
"7715426","13.2142","0.0004","14.1437","0.0004","21.9569","0.0007","97.141","0.001","98.751","0.001","113.265","0.001","3648.47","0.19","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C72.5 H93 Cl5 N4 O4 Si2 -","- C70 H88 N4 O4 Si -","- C140 H176 N8 O8 Si2 -","2","1","","Thierry, Thibault; Giuso, Valerio; Polo, Federico; Mercandelli, Pierluigi; Chen, Yi-Ting; Chang, Chih-Hao; Mauro, Matteo; Bellemin-Laponnaz, Stéphane","A stable and true-blue emissive hexacoordinate Si(IV) N-heterocyclic carbene complex and its use in organic light-emitting diodes.","Dalton transactions (Cambridge, England : 2003)","2024","53","14","6445","6450","10.1039/d4dt00420e","","","0.71073","MoKα","","0.0561","0.0486","","","0.1345","0.1425","","","","","","1.023","","","","has coordinates,has disorder","290949","2024-04-04","23:28:48",""
"7715427","10.8666","0.0012","11.7591","0.0013","13.51","0.0014","69.809","0.004","72.122","0.004","69.657","0.004","1484.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H88 B2 N6 O2 Zn2 -","- C66 H88 B2 N6 O2 Zn2 -","- C66 H88 B2 N6 O2 Zn2 -","1","0.5","","Das, Sandip; Kumar, Pankaj","Exploring the carbonic anhydrase-mimetic [(PMDTA)<sub>2</sub>ZnII2(OH<sup>-</sup>)<sub>2</sub>]<sup>2+</sup> for nitric oxide monooxygenation.","Dalton transactions (Cambridge, England : 2003)","2024","53","14","6173","6177","10.1039/d4dt00407h","","","0.71073","MoKα","","0.044","0.0387","","","0.1064","0.1142","","","","","","1.07","","","","has coordinates","290953","2024-04-04","23:29:18",""
"7715428","9.6272","0.0004","11.9853","0.0004","15.4192","0.0006","90","","100.446","0.001","90","","1749.66","0.12","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H27 Cl N4 O7 Zn -","- C10 H27 Cl N4 O7 Zn -","- C40 H108 Cl4 N16 O28 Zn4 -","4","1","","Das, Sandip; Kumar, Pankaj","Exploring the carbonic anhydrase-mimetic [(PMDTA)<sub>2</sub>ZnII2(OH<sup>-</sup>)<sub>2</sub>]<sup>2+</sup> for nitric oxide monooxygenation.","Dalton transactions (Cambridge, England : 2003)","2024","53","14","6173","6177","10.1039/d4dt00407h","","","0.71073","MoKα","","0.0227","0.0215","","","0.0581","0.0587","","","","","","1.072","","","","has coordinates","290953","2024-04-04","23:29:18",""
"7715429","13.7304","0.0006","18.0171","0.0007","26.2207","0.0011","90","","95.764","0.002","90","","6453.7","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H90 B2 N7.75 O3.25 Zn2 -","- C68 H90 B2 N7.75 O3.25 Zn2 -","- C272 H360 B8 N31 O13 Zn8 -","4","1","","Das, Sandip; Kumar, Pankaj","Exploring the carbonic anhydrase-mimetic [(PMDTA)<sub>2</sub>ZnII2(OH<sup>-</sup>)<sub>2</sub>]<sup>2+</sup> for nitric oxide monooxygenation.","Dalton transactions (Cambridge, England : 2003)","2024","53","14","6173","6177","10.1039/d4dt00407h","","","0.71073","MoKα","","0.0646","0.0543","","","0.1408","0.1487","","","","","","1.038","","","","has coordinates,has disorder","290953","2024-04-04","23:29:18",""
"7715430","9.6324","0.0009","10.7924","0.001","10.8665","0.001","65.739","0.001","86.565","0.002","69.97","0.002","963.27","0.16","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C14 B F16 N O4 S2 -","- C14 B F16 N O4 S2 -","- C28 B2 F32 N2 O8 S4 -","2","1","","Nguyen, Tony; Dutton, Jason L.; Chang, Chia Yun; Zhou, Wen; Piers, Warren E.","Direct C-H electrophilic borylation with (C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>B-NTf<sub>2</sub> to generate B-N dibenzo[<i>a</i>,<i>h</i>]pyrenes.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7273","7281","10.1039/d4dt00469h","","","0.71073","MoKα","","0.0598","0.038","","","0.0842","0.0929","","","","","","1.03","","","","has coordinates","291606","2024-05-05","02:36:42",""
"7715431","10.2642","0.0005","10.8711","0.0006","12.859","0.0007","71.888","0.004","78.885","0.004","84.992","0.004","1337.59","0.13","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H26 B2 F20 N4 -","- C68 H26 B2 F20 N4 -","- C68 H26 B2 F20 N4 -","1","0.5","","Nguyen, Tony; Dutton, Jason L.; Chang, Chia Yun; Zhou, Wen; Piers, Warren E.","Direct C-H electrophilic borylation with (C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>B-NTf<sub>2</sub> to generate B-N dibenzo[<i>a</i>,<i>h</i>]pyrenes.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7273","7281","10.1039/d4dt00469h","","","1.54178","CuKα","","0.1072","0.061","","","0.144","0.1717","","","","","","0.996","","","","has coordinates","291606","2024-05-05","02:36:46",""
"7715432","14.8212","0.0013","10.0171","0.0008","17.0876","0.0012","90","","115.304","0.006","90","","2293.5","0.3","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H12 B2 Cl6 F22 N2 -","- C46 H12 B2 Cl6 F22 N2 -","- C92 H24 B4 Cl12 F44 N4 -","2","0.5","","Nguyen, Tony; Dutton, Jason L.; Chang, Chia Yun; Zhou, Wen; Piers, Warren E.","Direct C-H electrophilic borylation with (C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>B-NTf<sub>2</sub> to generate B-N dibenzo[<i>a</i>,<i>h</i>]pyrenes.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7273","7281","10.1039/d4dt00469h","","","1.54178","CuKα","","0.0821","0.0668","","","0.1826","0.1985","","","","","","1.044","","","","has coordinates,has disorder","291606","2024-05-05","02:36:46",""
"7715433","13.2106","0.0009","10.7119","0.0007","32.53","0.002","90","","95.306","0.004","90","","4583.6","0.5","173.15","","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C102 H87.47 B2 F20 N4 O6 -","- C102 H87.466 B2 F20 N4 O6 -","- C204 H174.932 B4 F40 N8 O12 -","2","0.5","","Nguyen, Tony; Dutton, Jason L.; Chang, Chia Yun; Zhou, Wen; Piers, Warren E.","Direct C-H electrophilic borylation with (C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>B-NTf<sub>2</sub> to generate B-N dibenzo[<i>a</i>,<i>h</i>]pyrenes.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7273","7281","10.1039/d4dt00469h","","","1.54178","CuKα","","0.0842","0.0681","","","0.2032","0.2417","","","","","","1.11","","","","has coordinates,has disorder","291606","2024-05-05","02:36:46",""
"7715434","33.0522","0.0015","11.2332","0.0006","8.4733","0.0004","90","","90","","90","","3146","0.3","296.15","","296.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C13 B F13 O3 S -","- C13 B F13 O3 S -","- C104 B8 F104 O24 S8 -","8","1","","Nguyen, Tony; Dutton, Jason L.; Chang, Chia Yun; Zhou, Wen; Piers, Warren E.","Direct C-H electrophilic borylation with (C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>B-NTf<sub>2</sub> to generate B-N dibenzo[<i>a</i>,<i>h</i>]pyrenes.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7273","7281","10.1039/d4dt00469h","","","1.54178","CuKα","","0.035","0.0324","","","0.0861","0.0881","","","","","","1.05","","","","has coordinates","291606","2024-05-05","02:36:46",""
"7715435","9.0598","0.0006","10.5792","0.0007","12.1126","0.0008","94.889","0.005","97.993","0.005","102.729","0.005","1113.31","0.13","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H22 B2 F22 N2 O2 -","- C50 H22 B2 F22 N2 O2 -","- C50 H22 B2 F22 N2 O2 -","1","0.5","","Nguyen, Tony; Dutton, Jason L.; Chang, Chia Yun; Zhou, Wen; Piers, Warren E.","Direct C-H electrophilic borylation with (C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>B-NTf<sub>2</sub> to generate B-N dibenzo[<i>a</i>,<i>h</i>]pyrenes.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7273","7281","10.1039/d4dt00469h","","","1.54178","CuKα","","0.0614","0.0463","","","0.1275","0.138","","","","","","1.087","","","","has coordinates","291606","2024-05-05","02:36:46",""
"7715436","16.8525","0.0004","15.3208","0.0005","9.5674","0.0003","90","","99.281","0.001","90","","2437.91","0.12","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H36 B2 F20 N2 -","- C56 H36 B2 F20 N2 -","- C112 H72 B4 F40 N4 -","2","0.5","","Nguyen, Tony; Dutton, Jason L.; Chang, Chia Yun; Zhou, Wen; Piers, Warren E.","Direct C-H electrophilic borylation with (C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>B-NTf<sub>2</sub> to generate B-N dibenzo[<i>a</i>,<i>h</i>]pyrenes.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7273","7281","10.1039/d4dt00469h","","","1.54178","CuKα","","0.0684","0.0592","","","0.1585","0.1669","","","","","","1.061","","","","has coordinates","291606","2024-05-05","02:36:46",""
"7715437","10.9839","0.0007","13.2502","0.001","17.5105","0.0012","71.475","0.004","77.749","0.004","70.273","0.004","2258.8","0.3","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C96 H82 B2 F20 N4 O4 -","- C96 H82 B2 F20 N4 O4 -","- C96 H82 B2 F20 N4 O4 -","1","0.5","","Nguyen, Tony; Dutton, Jason L.; Chang, Chia Yun; Zhou, Wen; Piers, Warren E.","Direct C-H electrophilic borylation with (C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>B-NTf<sub>2</sub> to generate B-N dibenzo[<i>a</i>,<i>h</i>]pyrenes.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7273","7281","10.1039/d4dt00469h","","","1.54178","CuKα","","0.1057","0.0982","","","0.253","0.2629","","","","","","1.082","","","","has coordinates,has disorder","291606","2024-05-05","02:36:46",""
"7715438","24.0995","0.0017","31.488","0.003","12.9587","0.0008","90","","90","","90","","9833.6","1.3","173","2","173.15","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C92 H20 B4 F40 N8 -","- C92 H20 B4 F40 N8 -","- C368 H80 B16 F160 N32 -","4","0.5","","Nguyen, Tony; Dutton, Jason L.; Chang, Chia Yun; Zhou, Wen; Piers, Warren E.","Direct C-H electrophilic borylation with (C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>B-NTf<sub>2</sub> to generate B-N dibenzo[<i>a</i>,<i>h</i>]pyrenes.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7273","7281","10.1039/d4dt00469h","","","1.54178","CuKα","","0.1374","0.0834","","","0.2053","0.242","","","","","","1.051","","","","has coordinates,has disorder","291606","2024-05-05","02:36:46",""
"7715439","9.4453","0.0013","20.727","0.003","12.4957","0.0019","90","","100.146","0.008","90","","2408.1","0.6","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H22 B2 F20 N8 -","- C54 H22 B2 F20 N8 -","- C108 H44 B4 F40 N16 -","2","0.5","","Nguyen, Tony; Dutton, Jason L.; Chang, Chia Yun; Zhou, Wen; Piers, Warren E.","Direct C-H electrophilic borylation with (C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>B-NTf<sub>2</sub> to generate B-N dibenzo[<i>a</i>,<i>h</i>]pyrenes.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7273","7281","10.1039/d4dt00469h","","","1.54178","CuKα","","0.0661","0.0542","","","0.1658","0.1787","","","","","","1.0618","","","","has coordinates,has disorder","291606","2024-05-05","02:36:46",""
"7715440","7.6475","0.0005","17.5134","0.0011","19.0088","0.0012","90","","90","","90","","2545.9","0.3","296","2","296","2","","","","","","","Synthesis","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 Fe Li N2 O10 -","- C22 H26 Fe Li N2 O10 -","- C88 H104 Fe4 Li4 N8 O40 -","4","1","","Long, Chanreingam; Ray, Manabendra","Water-soluble chiral coordination polymers of Li<sup>+</sup>, Na<sup>+</sup>, K<sup>+</sup>, and Ba<sup>2+</sup> with an anionic iron(III) complex of a L-threonine derivative and a significant red shift of visible spectra with Al<sup>3+</sup> salt.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6642","6652","10.1039/d3dt03945e","","x-ray","0.71073","MoKα","","0.0317","0.0289","","","0.076","0.0782","","","","","","1.116","","","","has coordinates","291645","2024-05-05","03:05:17",""
"7715441","14.0394","0.0004","17.8936","0.0005","23.9512","0.0007","90","","90","","90","","6016.9","0.3","293","2","293","2","","","","","","","Synthesis","6","P 21 21 21","P 2ac 2ab","19","FeNa","FeNa","","- C49 H72 Fe2 N4 Na2 O23 -","- C49 H72 Fe2 N4 Na2 O23 -","- C196 H288 Fe8 N16 Na8 O92 -","4","1","","Long, Chanreingam; Ray, Manabendra","Water-soluble chiral coordination polymers of Li<sup>+</sup>, Na<sup>+</sup>, K<sup>+</sup>, and Ba<sup>2+</sup> with an anionic iron(III) complex of a L-threonine derivative and a significant red shift of visible spectra with Al<sup>3+</sup> salt.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6642","6652","10.1039/d3dt03945e","","x-ray","0.71073","MoKα","","0.0597","0.0441","","","0.1111","0.1254","","","","","","0.857","","","","has coordinates","291645","2024-05-05","03:05:17",""
"7715442","27.067","0.007","13.513","0.003","12.427","0.002","90","","101.042","0.011","90","","4461.1","1.7","293","2","293","2","","","","","","","Synthesis","7","C 1 2 1","C 2y","5","4","4","","- C66 H78 Ba2 Cl Fe3 N6 O40 -","- C66 H78 Ba2 Cl Fe3 N6 O40 -","- C132 H156 Ba4 Cl2 Fe6 N12 O80 -","2","0.5","","Long, Chanreingam; Ray, Manabendra","Water-soluble chiral coordination polymers of Li<sup>+</sup>, Na<sup>+</sup>, K<sup>+</sup>, and Ba<sup>2+</sup> with an anionic iron(III) complex of a L-threonine derivative and a significant red shift of visible spectra with Al<sup>3+</sup> salt.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6642","6652","10.1039/d3dt03945e","","x-ray","0.71073","MoKα","","0.0508","0.0488","","","0.1402","0.1453","","","","","","1.117","","","","has coordinates","291645","2024-05-05","03:05:17",""
"7715443","7.8208","0.0011","17.044","0.002","19.28","0.003","90","","94.509","0.004","90","","2562","0.6","297","2","293","2","","","","","","","Synthesis","6","P 1 21 1","P 2yb","4","3","3","","- C45 H49 Fe2 K2 N4 O19 -","- C45 H52 Fe2 K2 N4 O19 -","- C90 H104 Fe4 K4 N8 O38 -","2","1","","Long, Chanreingam; Ray, Manabendra","Water-soluble chiral coordination polymers of Li<sup>+</sup>, Na<sup>+</sup>, K<sup>+</sup>, and Ba<sup>2+</sup> with an anionic iron(III) complex of a L-threonine derivative and a significant red shift of visible spectra with Al<sup>3+</sup> salt.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6642","6652","10.1039/d3dt03945e","","x-ray","0.71073","MoKα","","0.0364","0.0326","","","0.0757","0.0785","","","","","","1.038","","","","has coordinates","291645","2024-05-05","03:05:17",""
"7715444","11.083","0.009","16.14","0.011","7.938","0.007","90","","116.67","0.04","90","","1268.9","1.8","150","","150","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H10 Cu N O5 -","- C12 H10 Cu N O5 -","- C48 H40 Cu4 N4 O20 -","4","0.5","","Wang, Yuxin; Song, Zhengxuan; Liu, Yutao; Chen, Yang; Li, Jinping; Li, Libo; Yao, Jia","Hydrophobic functionalization of a metal-organic framework as an ammonia visual sensing material under high humidity conditions.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6802","6808","10.1039/d3dt04292h","","","1.34138","GaKα","","0.0884","0.0796","","","0.2117","0.2198","","","","","","1.093","","","","has coordinates","291641","2024-05-05","03:03:12",""
"7715445","29.8348","0.0019","11.0642","0.0004","13.2894","0.0005","90","","90","","90","","4386.8","0.4","293","","293","","","","","","","","","5","C m c 21","C 2c -2","36","ZnTIA","","","- C34 H27 N9 O14 Zn2 -","- C34 H27 N9 O14 Zn2 -","- C136 H108 N36 O56 Zn8 -","4","0.5","","Jhariat, Pampa; Kareem, Abdul; Kumari, Priyanka; Sarfudeen, Shafeeq; Panda, Premchand; Senthilkumar, Sellappan; Panda, Tamas","A series of isostructural metal-organic frameworks for an enhanced electro-catalytic oxygen evolution reaction.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6568","6574","10.1039/d4dt00210e","","","0.7107","MoKα","","0.078","0.0613","","","0.1589","0.172","","","","","","1.091","","","","has coordinates","291644","2024-05-05","03:04:42",""
"7715446","29.746","0.002","11.0402","0.0007","13.3648","0.0007","90","","90","","90","","4389","0.5","293","","293","","","","","","","","","5","C m c 21","C 2c -2","36","Co-5TIA-X","","","- C34 H27 Co2 N9 O14 -","- C34 H27 Co2 N9 O14 -","- C136 H108 Co8 N36 O56 -","4","0.5","","Jhariat, Pampa; Kareem, Abdul; Kumari, Priyanka; Sarfudeen, Shafeeq; Panda, Premchand; Senthilkumar, Sellappan; Panda, Tamas","A series of isostructural metal-organic frameworks for an enhanced electro-catalytic oxygen evolution reaction.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6568","6574","10.1039/d4dt00210e","","","0.7107","MoKα","","0.0771","0.0659","","","0.1961","0.2126","","","","","","1.09","","","","has coordinates","291644","2024-05-05","03:04:46",""
"7715447","29.4455","0.0008","11.1947","0.0003","14.2083","0.0003","90","","90","","90","","4683.5","0.2","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","Cd-5TIA-X","","","- C34 H26 Cd2 N9 O14 -","- C34 H26 Cd2 N9 O14 -","- C136 H104 Cd8 N36 O56 -","4","0.5","","Jhariat, Pampa; Kareem, Abdul; Kumari, Priyanka; Sarfudeen, Shafeeq; Panda, Premchand; Senthilkumar, Sellappan; Panda, Tamas","A series of isostructural metal-organic frameworks for an enhanced electro-catalytic oxygen evolution reaction.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6568","6574","10.1039/d4dt00210e","","","0.7107","MoKα","","0.0554","0.046","","","0.1293","0.1381","","","","","","1.097","","","","has coordinates","291644","2024-05-05","03:04:46",""
"7715448","15.009","0.004","15.233","0.004","20.268","0.006","69.854","0.008","74.768","0.008","64.853","0.007","3901","1.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C89 H96 Cl2 Cu2 N10 -","- C89 H96 Cl2 Cu2 N10 -","- C178 H192 Cl4 Cu4 N20 -","2","1","","Shah, Syed Jehanger; Singh, Ajitesh; Goswami, Debabrata; Ishida, Masatoshi; Rath, Sankar Prasad","Reversible open-closed conformational switching of nano-size metalloporphyrin dimers triggered by light and temperature.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6758","6765","10.1039/d4dt00223g","","","0.71073","MoKα","","0.1147","0.0888","","","0.1699","0.1804","","","","","","1.153","","","","has coordinates","291643","2024-05-05","03:04:12",""
"7715449","12.8086","0.0003","12.8086","0.0003","100.294","0.003","90","","90","","120","","14249.8","0.6","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Bi3 Cl16 K7 -","- Bi3 Cl16 K7 -","- Bi54 Cl288 K126 -","18","0.5","","Yang, Wenjian; Zhang, Jingshen; Xiong, Hui; Lan, Jing; Yuan, Songyang; Zhan, Mengdi; Tan, Ziyu; Li, Wenzhe; Fan, Jiandong","Emerging lead-free all inorganic perovskite single crystals K<sub>7</sub>Bi<sub>3</sub>X<sub>16</sub> (X = Cl, Br) toward photodetector application.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6609","6617","10.1039/d3dt03872f","","x-ray","0.71073","MoKα","","0.0436","0.0298","","","0.0714","0.0757","","","","","","1.04","","","","has coordinates","291652","2024-05-05","03:10:32",""
"7715450","13.4181","0.0004","13.4181","0.0004","34.9412","0.0012","90","","90","","120","","5448.2","0.3","293","2","293","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- Bi3 Br16 K7 -","- Bi3 Br16 K7 -","- Bi18 Br96 K42 -","6","0.5","","Yang, Wenjian; Zhang, Jingshen; Xiong, Hui; Lan, Jing; Yuan, Songyang; Zhan, Mengdi; Tan, Ziyu; Li, Wenzhe; Fan, Jiandong","Emerging lead-free all inorganic perovskite single crystals K<sub>7</sub>Bi<sub>3</sub>X<sub>16</sub> (X = Cl, Br) toward photodetector application.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6609","6617","10.1039/d3dt03872f","","x-ray","0.71073","MoKα","","0.0956","0.0481","","","0.0862","0.1019","","","","","","0.976","","","","has coordinates","291652","2024-05-05","03:10:33",""
"7715451","12.027","0.004","20.8","0.006","18.417","0.005","90","","106.674","0.008","90","","4414","2","100","2","100.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Dy N5 O13 Zn2 -","- C42 H42 Dy N5 O13 Zn2 -","- C168 H168 Dy4 N20 O52 Zn8 -","4","1","","Shukla, Pooja; Tarannum, Ibtesham; Roy, Soumalya; Rajput, Amit; Lama, Prem; Singh, Saurabh Kumar; Kłak, Julia; Lee, Junseong; Das, Sourav","Effect of diamagnetic Zn(II) ions on the SMM properties of a series of trinuclear ZnDy<sub>2</sub> and tetranuclear Zn<sub>2</sub>Dy<sub>2</sub> (Ln<sup>III</sup> = Dy, Tb, Gd) complexes: combined experimental and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7053","7066","10.1039/d4dt00417e","","","0.71073","MoKα","","0.0429","0.0373","","","0.0924","0.0963","","","","","","1.037","","","","has coordinates","291631","2024-05-05","02:54:32",""
"7715452","36.348","0.002","12.6844","0.0007","19.898","0.0011","90","","118.758","0.002","90","","8042.5","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H63 N13 O25 Tb2 Zn2 -","- C74 H63 N13 O25 Tb2 Zn2 -","- C296 H252 N52 O100 Tb8 Zn8 -","4","0.5","","Shukla, Pooja; Tarannum, Ibtesham; Roy, Soumalya; Rajput, Amit; Lama, Prem; Singh, Saurabh Kumar; Kłak, Julia; Lee, Junseong; Das, Sourav","Effect of diamagnetic Zn(II) ions on the SMM properties of a series of trinuclear ZnDy<sub>2</sub> and tetranuclear Zn<sub>2</sub>Dy<sub>2</sub> (Ln<sup>III</sup> = Dy, Tb, Gd) complexes: combined experimental and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7053","7066","10.1039/d4dt00417e","","","0.71073","MoKα","","0.055","0.0406","","","0.1089","0.1199","","","","","","1.048","","","","has coordinates,has disorder","291631","2024-05-05","02:54:34",""
"7715453","11.9328","0.001","20.8385","0.0018","18.2495","0.0015","90","","106.152","0.002","90","","4358.8","0.6","273","2","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Gd N5 O13 Zn2 -","- C42 H42 Gd N5 O13 Zn2 -","- C168 H168 Gd4 N20 O52 Zn8 -","4","1","","Shukla, Pooja; Tarannum, Ibtesham; Roy, Soumalya; Rajput, Amit; Lama, Prem; Singh, Saurabh Kumar; Kłak, Julia; Lee, Junseong; Das, Sourav","Effect of diamagnetic Zn(II) ions on the SMM properties of a series of trinuclear ZnDy<sub>2</sub> and tetranuclear Zn<sub>2</sub>Dy<sub>2</sub> (Ln<sup>III</sup> = Dy, Tb, Gd) complexes: combined experimental and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7053","7066","10.1039/d4dt00417e","","","0.71073","MoKα","","0.0677","0.0458","","","0.1227","0.1457","","","","","","1.066","","","","has coordinates","291631","2024-05-05","02:54:34",""
"7715454","36.348","0.002","12.6844","0.0007","19.898","0.0011","90","","118.758","0.002","90","","8042.5","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H63 Gd2 N13 O25 Zn2 -","- C74 H63 Gd2 N13 O25 Zn2 -","- C296 H252 Gd8 N52 O100 Zn8 -","4","0.5","","Shukla, Pooja; Tarannum, Ibtesham; Roy, Soumalya; Rajput, Amit; Lama, Prem; Singh, Saurabh Kumar; Kłak, Julia; Lee, Junseong; Das, Sourav","Effect of diamagnetic Zn(II) ions on the SMM properties of a series of trinuclear ZnDy<sub>2</sub> and tetranuclear Zn<sub>2</sub>Dy<sub>2</sub> (Ln<sup>III</sup> = Dy, Tb, Gd) complexes: combined experimental and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7053","7066","10.1039/d4dt00417e","","","0.71073","MoKα","","0.0548","0.0415","","","0.1108","0.1232","","","","","","1.037","","","","has coordinates,has disorder","291631","2024-05-05","02:54:34",""
"7715455","11.9571","0.0009","20.8492","0.0016","18.1968","0.0015","90","","106.113","0.002","90","","4358.2","0.6","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 N5 O13 Tb Zn2 -","- C42 H42 N5 O13 Tb Zn2 -","- C168 H168 N20 O52 Tb4 Zn8 -","4","1","","Shukla, Pooja; Tarannum, Ibtesham; Roy, Soumalya; Rajput, Amit; Lama, Prem; Singh, Saurabh Kumar; Kłak, Julia; Lee, Junseong; Das, Sourav","Effect of diamagnetic Zn(II) ions on the SMM properties of a series of trinuclear ZnDy<sub>2</sub> and tetranuclear Zn<sub>2</sub>Dy<sub>2</sub> (Ln<sup>III</sup> = Dy, Tb, Gd) complexes: combined experimental and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7053","7066","10.1039/d4dt00417e","","","0.71073","MoKα","","0.058","0.0471","","","0.126","0.1381","","","","","","1.093","","","","has coordinates","291631","2024-05-05","02:54:34",""
"7715456","11.9906","0.0009","15.9962","0.0011","22.9493","0.0015","76.896","0.003","75.14","0.003","83.179","0.004","4135.2","0.5","298","2","297.65","","","","","","","","","6","P -1","-P 1","2","","","","- C74 H63 Dy2 N13 O25 Zn2 -","- C74 H63 Dy2 N13 O25 Zn2 -","- C148 H126 Dy4 N26 O50 Zn4 -","2","1","","Shukla, Pooja; Tarannum, Ibtesham; Roy, Soumalya; Rajput, Amit; Lama, Prem; Singh, Saurabh Kumar; Kłak, Julia; Lee, Junseong; Das, Sourav","Effect of diamagnetic Zn(II) ions on the SMM properties of a series of trinuclear ZnDy<sub>2</sub> and tetranuclear Zn<sub>2</sub>Dy<sub>2</sub> (Ln<sup>III</sup> = Dy, Tb, Gd) complexes: combined experimental and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7053","7066","10.1039/d4dt00417e","","","0.71073","MoKα","","0.0889","0.0553","","","0.1369","0.1707","","","","","","1.082","","","","has coordinates","291631","2024-05-05","02:54:34",""
"7715457","7.0483","0.0007","7.0483","0.0007","7.1277","0.0008","90","","90","","120","","306.65","0.06","298","2","298","2","","","","","","","","4","P -3 1 m","-P 3 2","162","","","","- In0.8 Mn1.76 Si2 Te6 -","- In0.8 Mn1.758 Si2 Te6 -","- In0.8 Mn1.758 Si2 Te6 -","1","0.0833333","","Shahid, Omair; Yadav, Sweta; Manna, Kaustuv; Thakur, Gohil S.; Prakash, Jai","Low thermal conductivity in a new mixed metal telluride Mn<sub>1.8(1)</sub>In<sub>0.8(1)</sub>Si<sub>2</sub>Te<sub>6</sub>.","Dalton transactions (Cambridge, England : 2003)","2024","53","14","6245","6255","10.1039/d3dt03900e","","","0.71073","MoKα","","0.05","0.0372","","","0.0899","0.0963","","","","","","1.211","","","","has coordinates","290954","2024-04-04","23:29:24",""
"7715458","17.865","0.004","18.094","0.004","27.261","0.008","90","","90","","90","","8812","4","100","2","100","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C16 H13 N3 O8 Pr -","- C16 H13 N3 O8 Pr -","- C256 H208 N48 O128 Pr16 -","16","0.5","","Khan, Mohammad Yasir; Husain, Ahmad; Mahajan, Dhiraj K.; Muaz, Mohammad; Shahid, M.; Zeeshan, Mohd; Sama, Farasha; Ahmad, Sharique","Facile synthesis of a three-dimensional Ln-MOF@FCNT composite for the fabrication of a symmetric supercapacitor device with ultra-high energy density: overcoming the energy storage barrier.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7477","7497","10.1039/d4dt00136b","","","0.71073","MoKα","","0.0457","0.0322","","","0.0821","0.1","","","","","","1.1315","","","","has coordinates","291615","2024-05-05","02:42:39",""
"7715459","30.898","0.003","13.5615","0.0012","21.2563","0.0019","90","","117.385","0.004","90","","7908.7","1.3","190","2","189.99","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C95 H71 Co2 N20 -","- C95 H71 Co2 N20 -","- C380 H284 Co8 N80 -","4","0.5","","Kidd, Steven R.; Zhou, Wen; Warren, Jeffrey J.; Leznoff, Daniel B.","Inducing ring distortions in unsubstituted metallophthalocyanines using axial N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6537","6546","10.1039/d4dt00528g","","","1.54178","CuKα","","0.0694","0.0495","","","0.1221","0.135","","","","","","1.061","","","","has coordinates","291646","2024-05-05","03:05:54",""
"7715460","30.9681","0.0019","14.0317","0.0008","20.7176","0.0013","90","","118.052","0.003","90","","7944.9","0.9","190","2","189.98","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C96 H79 N20 Zn2 -","- C96 H79 N20 Zn2 -","- C384 H316 N80 Zn8 -","4","0.5","","Kidd, Steven R.; Zhou, Wen; Warren, Jeffrey J.; Leznoff, Daniel B.","Inducing ring distortions in unsubstituted metallophthalocyanines using axial N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6537","6546","10.1039/d4dt00528g","","","1.54178","CuKα","","0.0782","0.0551","","","0.1239","0.1352","","","","","","1.037","","","","has coordinates,has disorder","291646","2024-05-05","03:05:55",""
"7715461","16.3865","0.0015","19.1511","0.0016","19.305","0.0017","90","","90.504","0.005","90","","6058.1","0.9","190","2","190","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C71 H72 Fe N12 -","- C71 H72 Fe N12 -","- C284 H288 Fe4 N48 -","4","1","","Kidd, Steven R.; Zhou, Wen; Warren, Jeffrey J.; Leznoff, Daniel B.","Inducing ring distortions in unsubstituted metallophthalocyanines using axial N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6537","6546","10.1039/d4dt00528g","","","1.54178","CuKα","","0.0866","0.0723","","","0.1824","0.1956","","","","","","1.05","","","","has coordinates,has disorder","291646","2024-05-05","03:05:56",""
"7715462","12.0211","0.0004","15.8643","0.0006","23.5955","0.0009","90","","91.751","0.002","90","","4497.7","0.3","189.99","","189.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H42 N10 Zn -","- C55 H42 N10 Zn -","- C220 H168 N40 Zn4 -","4","1","","Kidd, Steven R.; Zhou, Wen; Warren, Jeffrey J.; Leznoff, Daniel B.","Inducing ring distortions in unsubstituted metallophthalocyanines using axial N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6537","6546","10.1039/d4dt00528g","","","1.54178","CuKα","","0.0552","0.0447","","","0.1083","0.1145","","","","","","1.058","","","","has coordinates","291646","2024-05-05","03:05:56",""
"7715463","20.538","0.003","20.538","0.003","41.601","0.008","90","","90","","90","","17548","5","150","","150","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","","","- H140 Mo40 Na14 O181 -","- H128 Mo40 Na14 O178 -","- H512 Mo160 Na56 O712 -","4","0.125","","Li, Bingbing; Lan, Yuxin; Su, Heyang; Xu, Jiaxin; Zhao, Qixin; Ma, Yubin; Zheng, Qi; Xuan, Weimin","{Mo<sub>4</sub>}-directed structural evolution of highly reduced molybdenum red clusters for efficient proton conduction.","Dalton transactions (Cambridge, England : 2003)","2024","53","14","6184","6189","10.1039/d4dt00187g","","","0.71073","MoKα","","0.0569","0.0472","","","0.1176","0.1231","","","","","","1.117","","","","has coordinates,has disorder","290946","2024-04-04","23:28:07",""
"7715464","11.4876","0.0003","17.1451","0.0006","32.3504","0.0011","103.871","0.001","93.293","0.001","102.07","0.001","6010.1","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- H105 K6 Mo28 Na8 O136 -","- H103 K6 Mo28 Na8 O136 -","- H206 K12 Mo56 Na16 O272 -","2","1","","Li, Bingbing; Lan, Yuxin; Su, Heyang; Xu, Jiaxin; Zhao, Qixin; Ma, Yubin; Zheng, Qi; Xuan, Weimin","{Mo<sub>4</sub>}-directed structural evolution of highly reduced molybdenum red clusters for efficient proton conduction.","Dalton transactions (Cambridge, England : 2003)","2024","53","14","6184","6189","10.1039/d4dt00187g","","","0.71073","MoKα","","0.0532","0.0398","","","0.0951","0.1054","","","","","","1.018","","","","has coordinates,has disorder","290946","2024-04-04","23:28:08",""
"7715465","17.5249","0.0013","19.2536","0.0017","20.5386","0.0019","117.502","0.003","92.025","0.003","90.738","0.003","6139.8","0.9","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- H106 Mo30 Na8 O135 -","- H96 Mo30 Na8 O133 -","- H192 Mo60 Na16 O266 -","2","1","","Li, Bingbing; Lan, Yuxin; Su, Heyang; Xu, Jiaxin; Zhao, Qixin; Ma, Yubin; Zheng, Qi; Xuan, Weimin","{Mo<sub>4</sub>}-directed structural evolution of highly reduced molybdenum red clusters for efficient proton conduction.","Dalton transactions (Cambridge, England : 2003)","2024","53","14","6184","6189","10.1039/d4dt00187g","","","0.71073","MoKα","","0.1045","0.0921","","","0.1902","0.1962","","","","","","1.165","","","","has coordinates,has disorder","290946","2024-04-04","23:28:08",""
"7715466","9.493","0.0019","11.327","0.002","15.069","0.003","105.08","0.03","100.34","0.03","94.92","0.03","1524.1","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H20 Cl4 Fe N5 O6 -","- C32 H20 Cl4 Fe N5 O6 -","- C64 H40 Cl8 Fe2 N10 O12 -","2","1","","Jeong, Ah Rim; Park, Si Ra; Shin, Jong Won; Kim, Jihyun; Tokunaga, Ryuya; Hayami, Shinya; Min, Kil Sik","Mononuclear Fe(III) complexes with 2,4-dichloro-6-((quinoline-8-ylimino)methyl)phenolate: synthesis, structure, and magnetic behavior.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6809","6817","10.1039/d3dt04385a","","","0.7","synchrotron","","0.0898","0.0711","","","0.1912","0.2092","","","","","","1.041","","","","has coordinates","291655","2024-05-05","03:14:37",""
"7715467","9.559","0.0019","11.905","0.002","15.101","0.003","108.2","0.03","98.16","0.03","96.48","0.03","1593.3","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H20 Cl4 Fe N5 O6 -","- C32 H20 Cl4 Fe N5 O6 -","- C64 H40 Cl8 Fe2 N10 O12 -","2","1","","Jeong, Ah Rim; Park, Si Ra; Shin, Jong Won; Kim, Jihyun; Tokunaga, Ryuya; Hayami, Shinya; Min, Kil Sik","Mononuclear Fe(III) complexes with 2,4-dichloro-6-((quinoline-8-ylimino)methyl)phenolate: synthesis, structure, and magnetic behavior.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6809","6817","10.1039/d3dt04385a","","","0.7","synchrotron","","0.0914","0.0611","","","0.1566","0.177","","","","","","0.983","","","","has coordinates","291655","2024-05-05","03:14:46",""
"7715468","9.458","0.0019","12.391","0.003","16.32","0.003","95.32","0.03","103.38","0.03","97","0.03","1832.3","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H30 B Cl4 F4 Fe N4 O4 -","- C38 H30 B Cl4 F4 Fe N4 O4 -","- C76 H60 B2 Cl8 F8 Fe2 N8 O8 -","2","1","","Jeong, Ah Rim; Park, Si Ra; Shin, Jong Won; Kim, Jihyun; Tokunaga, Ryuya; Hayami, Shinya; Min, Kil Sik","Mononuclear Fe(III) complexes with 2,4-dichloro-6-((quinoline-8-ylimino)methyl)phenolate: synthesis, structure, and magnetic behavior.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6809","6817","10.1039/d3dt04385a","","","0.63","synchrotron","","0.117","0.0732","","","0.2274","0.2541","","","","","","1.083","","","","has coordinates","291655","2024-05-05","03:14:56",""
"7715469","9.575","0.0019","12.544","0.003","16.518","0.003","94.12","0.03","103.45","0.03","97.39","0.03","1902.8","0.8","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H18 B Cl4 F4 Fe N4 O2 -","- C32 H18 B Cl4 F4 Fe N4 O2 -","- C64 H36 B2 Cl8 F8 Fe2 N8 O4 -","2","1","","Jeong, Ah Rim; Park, Si Ra; Shin, Jong Won; Kim, Jihyun; Tokunaga, Ryuya; Hayami, Shinya; Min, Kil Sik","Mononuclear Fe(III) complexes with 2,4-dichloro-6-((quinoline-8-ylimino)methyl)phenolate: synthesis, structure, and magnetic behavior.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6809","6817","10.1039/d3dt04385a","","","0.63","synchrotron","","0.1221","0.0967","","","0.287","0.3042","","","","","","1.5","","","","has coordinates","291655","2024-05-05","03:14:58",""
"7715470","14.289","0.003","17.702","0.004","15.399","0.003","90","","107.82","0.03","90","","3708.2","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H18 Cl5 Fe N4 O6 -","- C32 H18 Cl5 Fe N4 O6 -","- C128 H72 Cl20 Fe4 N16 O24 -","4","1","","Jeong, Ah Rim; Park, Si Ra; Shin, Jong Won; Kim, Jihyun; Tokunaga, Ryuya; Hayami, Shinya; Min, Kil Sik","Mononuclear Fe(III) complexes with 2,4-dichloro-6-((quinoline-8-ylimino)methyl)phenolate: synthesis, structure, and magnetic behavior.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6809","6817","10.1039/d3dt04385a","","","0.63","synchrotron","","0.0898","0.0748","","","0.2342","0.2486","","","","","","1.047","","","","has coordinates","291655","2024-05-05","03:14:58",""
"7715471","14.227","0.003","17.461","0.004","15.213","0.003","90","","107.55","0.03","90","","3603.3","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H18 Cl5 Fe N4 O6 -","- C32 H18 Cl5 Fe N4 O6 -","- C128 H72 Cl20 Fe4 N16 O24 -","4","1","","Jeong, Ah Rim; Park, Si Ra; Shin, Jong Won; Kim, Jihyun; Tokunaga, Ryuya; Hayami, Shinya; Min, Kil Sik","Mononuclear Fe(III) complexes with 2,4-dichloro-6-((quinoline-8-ylimino)methyl)phenolate: synthesis, structure, and magnetic behavior.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6809","6817","10.1039/d3dt04385a","","","0.63","synchrotron","","0.0683","0.0607","","","0.1557","0.1619","","","","","","1.031","","","","has coordinates,has disorder","291655","2024-05-05","03:14:58",""
"7715472","20.2412","0.0006","15.9489","0.0005","27.7869","0.0008","90","","90","","90","","8970.3","0.5","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C388 H260 Cl48 Fe8 I12 N40 -","- C388 H260 Cl48 Fe8 I12 N40 -","- C388 H260 Cl48 Fe8 I12 N40 -","1","0.5","","Yamada, Yasuyuki; Miwa, Yusuke; Toyoda, Yuka; Uno, Yoshiki; Phung, Quan Manh; Tanaka, Kentaro","Effect of porphyrin ligands on the catalytic CH<sub>4</sub> oxidation activity of monocationic μ-nitrido-bridged iron porphyrinoid dimers by using H<sub>2</sub>O<sub>2</sub> as an oxidant.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6556","6567","10.1039/d3dt04313d","","","0.4129","synchrotron","","0.0422","0.0382","","","0.146","0.1515","","","","","","1.2997","","","","has coordinates,has disorder","291653","2024-05-05","03:13:21",""
"7715473","15.1304","0.0017","20.032","0.002","29.169","0.003","90","","92.653","0.007","90","","8831.4","1.6","173","","173","","","","","","","","","6","P -1","-P 1","2","","PyFePcNFePorPy","","- C360 H232 Cl48 Fe8 I12 N60 -","- C360 H232 Cl48 Fe8 I12 N60 -","- C360 H232 Cl48 Fe8 I12 N60 -","1","0.5","","Yamada, Yasuyuki; Miwa, Yusuke; Toyoda, Yuka; Uno, Yoshiki; Phung, Quan Manh; Tanaka, Kentaro","Effect of porphyrin ligands on the catalytic CH<sub>4</sub> oxidation activity of monocationic μ-nitrido-bridged iron porphyrinoid dimers by using H<sub>2</sub>O<sub>2</sub> as an oxidant.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6556","6567","10.1039/d3dt04313d","","","0.4129","synchrotron","","0.1027","0.0941","","","0.2366","0.2427","","","","","","1.0312","","","","has coordinates,has disorder","291653","2024-05-05","03:13:26",""
"7715474","16.1937","0.0004","14.9487","0.0003","16.4338","0.0004","90","","105.832","0.003","90","","3827.3","0.16","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H34 N6 O8 P Y -","- C41 H34 N6 O8 P Y -","- C164 H136 N24 O32 P4 Y4 -","4","1","","Singh, Vaibhav; Suresh, Lakshmi Thachanadan; Sutter, Jean-Pascal; Bar, Arun Kumar","Selective fluoride sensing by a novel series of lanthanide-based one-dimensional coordination polymers through intramolecular proton transfer.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7436","7449","10.1039/d4dt00598h","","x-ray","0.71073","MoKα","","0.0589","0.0383","","","0.0828","0.0895","","","","","","1.02","","","","has coordinates,has disorder","291608","2024-05-05","02:38:12",""
"7715475","12.7779","0.0004","18.8824","0.0005","24.0303","0.0006","90","","103.119","0.001","90","","5646.6","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H49 Gd N6 O9 P2 -","- C59 H49 Gd N6 O9 P2 -","- C236 H196 Gd4 N24 O36 P8 -","4","1","","Singh, Vaibhav; Suresh, Lakshmi Thachanadan; Sutter, Jean-Pascal; Bar, Arun Kumar","Selective fluoride sensing by a novel series of lanthanide-based one-dimensional coordination polymers through intramolecular proton transfer.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7436","7449","10.1039/d4dt00598h","","","0.71073","MoKα","","0.0572","0.0375","","","0.0945","0.1043","","","","","","1.013","","","","has coordinates","291608","2024-05-05","02:38:18",""
"7715476","16.2035","0.0004","14.9875","0.0004","16.3982","0.0004","90","","105.806","0.002","90","","3831.73","0.17","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H34 Dy N6 O8 P -","- C41 H34 Dy N6 O8 P -","- C164 H136 Dy4 N24 O32 P4 -","4","1","","Singh, Vaibhav; Suresh, Lakshmi Thachanadan; Sutter, Jean-Pascal; Bar, Arun Kumar","Selective fluoride sensing by a novel series of lanthanide-based one-dimensional coordination polymers through intramolecular proton transfer.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7436","7449","10.1039/d4dt00598h","","x-ray","0.71073","MoKα","","0.0289","0.0228","","","0.0549","0.0573","","","","","","1.031","","","","has coordinates,has disorder","291608","2024-05-05","02:38:18",""
"7715477","16.084","0.0004","14.9967","0.0003","16.1977","0.0004","90","","105.453","0.001","90","","3765.76","0.15","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H34 Gd N6 O8 P -","- C41 H34 Gd N6 O8 P -","- C164 H136 Gd4 N24 O32 P4 -","4","1","","Singh, Vaibhav; Suresh, Lakshmi Thachanadan; Sutter, Jean-Pascal; Bar, Arun Kumar","Selective fluoride sensing by a novel series of lanthanide-based one-dimensional coordination polymers through intramolecular proton transfer.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7436","7449","10.1039/d4dt00598h","","","0.71073","MoKα","","0.0265","0.0236","","","0.0556","0.0576","","","","","","1.046","","","","has coordinates","291608","2024-05-05","02:38:18",""
"7715478","12.7183","0.0008","18.8005","0.0011","23.9922","0.0015","90","","102.962","0.002","90","","5590.6","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H49 N6 O9 P2 Y -","- C59 H49 N6 O9 P2 Y -","- C236 H196 N24 O36 P8 Y4 -","4","1","","Singh, Vaibhav; Suresh, Lakshmi Thachanadan; Sutter, Jean-Pascal; Bar, Arun Kumar","Selective fluoride sensing by a novel series of lanthanide-based one-dimensional coordination polymers through intramolecular proton transfer.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7436","7449","10.1039/d4dt00598h","","","0.71073","MoKα","","0.1107","0.0644","","","0.1562","0.1838","","","","","","0.956","","","","has coordinates","291608","2024-05-05","02:38:18",""
"7715479","12.7507","0.0004","18.842","0.0006","23.9856","0.0009","90","","103.027","0.001","90","","5614.2","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H49 Dy N6 O9 P2 -","- C59 H49 Dy N6 O9 P2 -","- C236 H196 Dy4 N24 O36 P8 -","4","1","","Singh, Vaibhav; Suresh, Lakshmi Thachanadan; Sutter, Jean-Pascal; Bar, Arun Kumar","Selective fluoride sensing by a novel series of lanthanide-based one-dimensional coordination polymers through intramolecular proton transfer.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7436","7449","10.1039/d4dt00598h","","","0.71073","MoKα","","0.0224","0.0202","","","0.0528","0.0534","","","","","","1.032","","","","has coordinates","291608","2024-05-05","02:38:18",""
"7715480","11.4625","0.0006","13.1925","0.0007","14.4678","0.0007","67.905","0.002","83.474","0.002","70.309","0.002","1908.38","0.17","200","","200","","","","","","","","","5","P 1","P 1","1","","","","- C41 H44 N6 O5 Zn -","- C41 H44 N6 O5 Zn -","- C82 H88 N12 O10 Zn2 -","2","2","","Liu, Jiaxiang; Zhao, Yuzhen; Zhang, Zhe; Li, Manni; Song, Wenqi; Li, Wentao; Miao, Zongcheng","Circularly polarized blue fluorescence based on chiral heteroleptic six-coordinate <i>bis</i>-pyrazolonate-Zn<sup>2+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6625","6630","10.1039/d4dt00086b","","","1.34139","GaKα","","0.0491","0.0385","","","0.0968","0.1016","","","","","","1.073","","","","has coordinates","291657","2024-05-05","03:16:25",""
"7715481","10.4591","0.0002","10.8125","0.0003","15.8411","0.0005","81.172","0.002","89.603","0.002","88.36","0.002","1769.5","0.08","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C31 H52 B10 Mg N2 -","- C31 H52 B10 Mg N2 -","- C62 H104 B20 Mg2 N4 -","2","1","","Pearce, Kyle G.; Morris, Louis J.; Robinson, Thomas P.; Johnson, Andrew L.; Mahon, Mary F.; Hill, Michael S.","From alkaline earth to coinage metal carboranyls.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6653","6659","10.1039/d4dt00478g","","x-ray","1.54184","CuKα","","0.0532","0.0489","","","0.1314","0.1366","","","","","","1.04","","","","has coordinates","291648","2024-05-05","03:07:27",""
"7715482","9.1557","0.0003","9.8409","0.0004","11.6235","0.0003","90","","91.091","0.003","90","","1047.09","0.06","150","0.1","150.15","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H31 Ag B10 N2 -","- C13 H31 Ag B10 N2 -","- C26 H62 Ag2 B20 N4 -","2","0.5","","Pearce, Kyle G.; Morris, Louis J.; Robinson, Thomas P.; Johnson, Andrew L.; Mahon, Mary F.; Hill, Michael S.","From alkaline earth to coinage metal carboranyls.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6653","6659","10.1039/d4dt00478g","","","1.54184","CuKα","","0.0453","0.041","","","0.1052","0.108","","","","","","1.085","","","","has coordinates","291648","2024-05-05","03:07:31",""
"7715483","17.214","0.0002","13.088","0.0002","18.465","0.0003","90","","103.181","0.001","90","","4050.51","0.1","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C35 H60 B10 Ca N2 O -","- C35 H60 B10 Ca N2 O -","- C140 H240 B40 Ca4 N8 O4 -","4","1","","Pearce, Kyle G.; Morris, Louis J.; Robinson, Thomas P.; Johnson, Andrew L.; Mahon, Mary F.; Hill, Michael S.","From alkaline earth to coinage metal carboranyls.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6653","6659","10.1039/d4dt00478g","","","0.71073","MoKα","","0.0978","0.0867","","","0.1932","0.1986","","","","","","1.2","","","","has coordinates,has disorder","291648","2024-05-05","03:07:31",""
"7715484","21.5052","0.0008","11.9353","0.0003","13.8858","0.0005","90","","90","","90","","3564.1","0.2","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C31 H52 B10 Ca N2 -","- C31 H52 B10 Ca N2 -","- C124 H208 B40 Ca4 N8 -","4","1","","Pearce, Kyle G.; Morris, Louis J.; Robinson, Thomas P.; Johnson, Andrew L.; Mahon, Mary F.; Hill, Michael S.","From alkaline earth to coinage metal carboranyls.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6653","6659","10.1039/d4dt00478g","","x-ray","1.54184","CuKα","","0.0757","0.0599","","","0.1435","0.162","","","","","","1.013","","","","has coordinates","291648","2024-05-05","03:07:31",""
"7715485","13.3382","0.0001","17.8016","0.0001","17.8489","0.0001","90","","90","","90","","4238.07","0.05","150.3","0.5","150.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H31 Au B10 N2 -","- C13 H31 Au B10 N2 -","- C104 H248 Au8 B80 N16 -","8","1","","Pearce, Kyle G.; Morris, Louis J.; Robinson, Thomas P.; Johnson, Andrew L.; Mahon, Mary F.; Hill, Michael S.","From alkaline earth to coinage metal carboranyls.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6653","6659","10.1039/d4dt00478g","","","1.54184","CuKα","","0.0208","0.0208","","","0.0541","0.0541","","","","","","1.296","","","","has coordinates","291648","2024-05-05","03:07:31",""
"7715486","17.6117","0.0001","13.295","0.0001","17.8699","0.0001","90","","90","","90","","4184.19","0.05","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H31 B10 Cu N2 -","- C13 H31 B10 Cu N2 -","- C104 H248 B80 Cu8 N16 -","8","1","","Pearce, Kyle G.; Morris, Louis J.; Robinson, Thomas P.; Johnson, Andrew L.; Mahon, Mary F.; Hill, Michael S.","From alkaline earth to coinage metal carboranyls.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6653","6659","10.1039/d4dt00478g","","","1.54184","CuKα","","0.0288","0.0283","","","0.0805","0.0809","","","","","","1.069","","","","has coordinates","291648","2024-05-05","03:07:31",""
"7715487","26.4909","0.0013","22.8712","0.0012","19.5689","0.0009","90","","122.05","0.003","90","","10049.3","0.9","296.61","","296.61","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C193 H255 Cl2 N3 O29 Zr4 -","- C182 H226 Cl2 O24 Zr4 -","- C364 H452 Cl4 O48 Zr8 -","2","0.25","","Wang, Fei-Fei; Hou, Baoshan","Construction of zirconium/hafnium-oxo clusters based on a new protection-calix[8]arene.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6507","6514","10.1039/d4dt00169a","","","1.54178","CuKα","","0.1418","0.0928","","","0.2035","0.2447","","","","","","1.039","","","","has coordinates,has disorder","291651","2024-05-05","03:09:49",""
"7715488","26.56","0.008","22.889","0.006","19.28","0.006","90","","120.746","0.01","90","","10073","5","290","2","290.56","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C193 H255 Cl2 Hf4 N3 O29 -","- C182 H226 Cl Hf4 O24 -","- C364 H452 Cl2 Hf8 O48 -","2","0.25","","Wang, Fei-Fei; Hou, Baoshan","Construction of zirconium/hafnium-oxo clusters based on a new protection-calix[8]arene.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6507","6514","10.1039/d4dt00169a","","","0.71073","MoKα","","0.137","0.0854","","","0.2197","0.2798","","","","","","1.085","","","","has coordinates,has disorder","291651","2024-05-05","03:09:52",""
"7715489","20.8087","0.0015","30.081","0.002","18.0516","0.0014","90","","106.317","0.004","90","","10844.2","1.4","296","2","296.31","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C217 H317 N11 O47 Zr8 -","- C188 H236 N4 O32 Zr8 -","- C376 H472 N8 O64 Zr16 -","2","0.25","","Wang, Fei-Fei; Hou, Baoshan","Construction of zirconium/hafnium-oxo clusters based on a new protection-calix[8]arene.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6507","6514","10.1039/d4dt00169a","","","1.54178","CuKα","","0.1025","0.0766","","","0.1883","0.2161","","","","","","1.052","","","","has coordinates","291651","2024-05-05","03:09:52",""
"7715490","21.07","0.004","30.684","0.005","17.217","0.006","90","","106.524","0.007","90","","10671","5","290","2","290.56","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C213 H307 Hf8 N9 O50 -","- C184 H226 Hf8 N2 O35 -","- C368 H452 Hf16 N4 O70 -","2","0.25","","Wang, Fei-Fei; Hou, Baoshan","Construction of zirconium/hafnium-oxo clusters based on a new protection-calix[8]arene.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6507","6514","10.1039/d4dt00169a","","","1.54178","CuKα","","0.1271","0.102","","","0.2682","0.296","","","","","","1.083","","","","has coordinates,has disorder","291651","2024-05-05","03:09:52",""
"7715491","15.537","0.002","16.193","0.002","18.24","0.002","80.945","0.004","67.84","0.004","88.782","0.004","4193.4","0.9","150","2","150","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C90 H98 B Ba F15 N3 O2 P -","- C84 H84 B Ba F15 N3 O2 P -","- C168 H168 B2 Ba2 F30 N6 O4 P2 -","2","1","","Duneş, Gabriel; Chapple, Peter M.; Kahlal, Samia; Roisnel, Thierry; Carpentier, Jean-François; Saillard, Jean-Yves; Sarazin, Yann","Barium phosphidoboranes and related calcium complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6892","6905","10.1039/d4dt00487f","","x-ray","0.71073","MoKα","","0.0683","0.0479","","","0.1207","0.1354","","","","","","1.011","","","","has coordinates,has disorder","291630","2024-05-05","02:53:42",""
"7715492","13.0239","0.001","12.5202","0.0009","18.2775","0.0012","90","","99.281","0.003","90","","2941.3","0.4","299","2","299","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C62 H82 B2 Ca N3 O P -","- C62 H82 B2 Ca N3 O P -","- C124 H164 B4 Ca2 N6 O2 P2 -","2","1","","Duneş, Gabriel; Chapple, Peter M.; Kahlal, Samia; Roisnel, Thierry; Carpentier, Jean-François; Saillard, Jean-Yves; Sarazin, Yann","Barium phosphidoboranes and related calcium complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6892","6905","10.1039/d4dt00487f","","x-ray","0.71073","MoKα","","0.0483","0.0412","","","0.0933","0.0976","","","","","","0.999","","","","has coordinates,has disorder","291630","2024-05-05","02:53:46",""
"7715493","13.7946","0.0018","14.2052","0.0016","20.139","0.002","75.42","0.004","78.239","0.005","70.451","0.004","3568","0.7","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C78 H108 Ba N3 O5 P -","- C74 H100 Ba N3 O4 P -","- C148 H200 Ba2 N6 O8 P2 -","2","1","","Duneş, Gabriel; Chapple, Peter M.; Kahlal, Samia; Roisnel, Thierry; Carpentier, Jean-François; Saillard, Jean-Yves; Sarazin, Yann","Barium phosphidoboranes and related calcium complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6892","6905","10.1039/d4dt00487f","","x-ray","0.71073","MoKα","","0.1529","0.1224","","","0.2756","0.2917","","","","","","1.138","","","","has coordinates,has disorder","291630","2024-05-05","02:53:46",""
"7715494","49.3823","0.0017","14.4529","0.0005","21.5081","0.0008","90","","107.618","0.001","90","","14630.7","0.9","150","2","150","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C77 H48 B2 Ba F30 O2 P2 -","- C77 H48 B2 Ba F30 O2 P2 -","- C616 H384 B16 Ba8 F240 O16 P16 -","8","1","","Duneş, Gabriel; Chapple, Peter M.; Kahlal, Samia; Roisnel, Thierry; Carpentier, Jean-François; Saillard, Jean-Yves; Sarazin, Yann","Barium phosphidoboranes and related calcium complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6892","6905","10.1039/d4dt00487f","","x-ray","0.71073","MoKα","","0.0671","0.0429","","","0.1138","0.1302","","","","","","1.013","","","","has coordinates,has disorder","291630","2024-05-05","02:53:46",""
"7715495","7.9876","0.0003","8.6965","0.0003","10.1798","0.0003","90.21","0.003","91.318","0.003","110.791","0.003","660.86","0.04","80","1","80","1","","","","","","","","6","P -1","-P 1","2","","","","- C14 H20 B2 F8 Fe N18 -","- C14 H20 B2 F8 Fe N18 -","- C14 H20 B2 F8 Fe N18 -","1","0.5","","Tołoczko, Aleksandra; Kaźmierczak, Marcin; Książek, Maria; Weselski, Marek; Siczek, Miłosz; Kusz, Joachim; Bronisz, Robert","Expanding the dimensionality of bis(tetrazolyl)alkane-based Fe(II) coordination polymers by the application of dinitrile coligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7163","7174","10.1039/d4dt00462k","","","0.71073","MoKα","","0.0273","0.0244","","","0.0591","0.0606","","","","","","1.048","","","","has coordinates","291621","2024-05-05","02:47:36",""
"7715496","9.0817","0.0013","10.25","0.002","11.7285","0.0019","110.127","0.013","99.834","0.013","113.172","0.013","881.1","0.3","300","1","300","1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H36 B2 F8 Fe N18 -","- C22 H36 B2 F8 Fe N18 -","- C22 H36 B2 F8 Fe N18 -","1","0.5","","Tołoczko, Aleksandra; Kaźmierczak, Marcin; Książek, Maria; Weselski, Marek; Siczek, Miłosz; Kusz, Joachim; Bronisz, Robert","Expanding the dimensionality of bis(tetrazolyl)alkane-based Fe(II) coordination polymers by the application of dinitrile coligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7163","7174","10.1039/d4dt00462k","","","0.71073","MoKα","","0.0689","0.0493","","","0.1243","0.1387","","","","","","1.023","","","","has coordinates,has disorder","291621","2024-05-05","02:47:40",""
"7715497","8.0729","0.0006","8.7297","0.0007","10.3033","0.0006","89.886","0.006","91.31","0.005","111.316","0.007","676.25","0.09","250","1","250","1","","","","","","","","6","P -1","-P 1","2","","","","- C14 H20 B2 F8 Fe N18 -","- C14 H20 B2 F8 Fe N18 -","- C14 H20 B2 F8 Fe N18 -","1","0.5","","Tołoczko, Aleksandra; Kaźmierczak, Marcin; Książek, Maria; Weselski, Marek; Siczek, Miłosz; Kusz, Joachim; Bronisz, Robert","Expanding the dimensionality of bis(tetrazolyl)alkane-based Fe(II) coordination polymers by the application of dinitrile coligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7163","7174","10.1039/d4dt00462k","","","0.71073","MoKα","","0.0409","0.0355","","","0.0904","0.0954","","","","","","1.056","","","","has coordinates,has disorder","291621","2024-05-05","02:47:40",""
"7715498","19.078","0.0004","19.7385","0.0003","19.8266","0.0003","90.032","0.001","104.745","0.002","103.643","0.002","7001.9","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H104 B8 F32 Fe4 N88 -","- C84 H104 B8 F32 Fe4 N88 -","- C168 H208 B16 F64 Fe8 N176 -","2","1","","Tołoczko, Aleksandra; Kaźmierczak, Marcin; Książek, Maria; Weselski, Marek; Siczek, Miłosz; Kusz, Joachim; Bronisz, Robert","Expanding the dimensionality of bis(tetrazolyl)alkane-based Fe(II) coordination polymers by the application of dinitrile coligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7163","7174","10.1039/d4dt00462k","","","0.71073","MoKα","","0.128","0.0928","","","0.2338","0.2531","","","","","","1.053","","","","has coordinates,has disorder","291621","2024-05-05","02:47:40",""
"7715499","18.9389","0.0004","19.4264","0.0003","19.5685","0.0003","90.046","0.001","104.76","0.002","103.591","0.002","6752.9","0.2","80","2","80","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H104 B8 F32 Fe4 N88 -","- C84 H104 B8 F32 Fe4 N88 -","- C168 H208 B16 F64 Fe8 N176 -","2","1","","Tołoczko, Aleksandra; Kaźmierczak, Marcin; Książek, Maria; Weselski, Marek; Siczek, Miłosz; Kusz, Joachim; Bronisz, Robert","Expanding the dimensionality of bis(tetrazolyl)alkane-based Fe(II) coordination polymers by the application of dinitrile coligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7163","7174","10.1039/d4dt00462k","","","0.71073","MoKα","","0.0954","0.0687","","","0.1691","0.1815","","","","","","1.026","","","","has coordinates,has disorder","291621","2024-05-05","02:47:40",""
"7715500","8.7981","0.0015","9.9945","0.0019","11.413","0.002","109.557","0.018","99.3","0.016","112.58","0.017","823.2","0.3","80","1","80","1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H36 B2 F8 Fe N18 -","- C22 H36 B2 F8 Fe N18 -","- C22 H36 B2 F8 Fe N18 -","1","0.5","","Tołoczko, Aleksandra; Kaźmierczak, Marcin; Książek, Maria; Weselski, Marek; Siczek, Miłosz; Kusz, Joachim; Bronisz, Robert","Expanding the dimensionality of bis(tetrazolyl)alkane-based Fe(II) coordination polymers by the application of dinitrile coligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7163","7174","10.1039/d4dt00462k","","","0.71073","MoKα","","0.0456","0.0355","","","0.0862","0.0912","","","","","","1.041","","","","has coordinates","291621","2024-05-05","02:47:40",""
"7715501","14.0436","0.0004","14.0679","0.0003","18.3229","0.0005","90","","94.555","0.003","90","","3608.51","0.16","200","1","200","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 B2 F8 Fe N20 -","- C22 H32 B2 F8 Fe N20 -","- C88 H128 B8 F32 Fe4 N80 -","4","1","","Tołoczko, Aleksandra; Kaźmierczak, Marcin; Książek, Maria; Weselski, Marek; Siczek, Miłosz; Kusz, Joachim; Bronisz, Robert","Expanding the dimensionality of bis(tetrazolyl)alkane-based Fe(II) coordination polymers by the application of dinitrile coligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7163","7174","10.1039/d4dt00462k","","","0.71073","MoKα","","0.101","0.05","","","0.115","0.1463","","","","","","1.017","","","","has coordinates,has disorder","291621","2024-05-05","02:47:41",""
"7715502","13.83","0.0003","13.8083","0.0003","18.0906","0.0004","90","","94.9421","0.0019","90","","3441.9","0.13","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 B2 F8 Fe N20 -","- C22 H32 B2 F8 Fe N20 -","- C88 H128 B8 F32 Fe4 N80 -","4","1","","Tołoczko, Aleksandra; Kaźmierczak, Marcin; Książek, Maria; Weselski, Marek; Siczek, Miłosz; Kusz, Joachim; Bronisz, Robert","Expanding the dimensionality of bis(tetrazolyl)alkane-based Fe(II) coordination polymers by the application of dinitrile coligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7163","7174","10.1039/d4dt00462k","","","0.71073","MoKα","","0.0717","0.0472","","","0.1079","0.1251","","","","","","1.036","","","","has coordinates,has disorder","291621","2024-05-05","02:47:41",""
"7715503","11.0692","0.0008","16.5906","0.0012","21.0529","0.0015","81.044","0.002","83.385","0.002","71.37","0.002","3610.1","0.5","135","2","135","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H86 B2 Br6 N4 S3 Si -","- C67 H86 B2 Br6 N4 S3 Si -","- C134 H172 B4 Br12 N8 S6 Si2 -","2","1","","Tran, Phuong M.; Wang, Yuzhong; Lahm, Mitchell E.; Wei, Pingrong; Schaefer, 3rd, Henry F; Robinson, Gregory H.","Unusual nucleophilic reactivity of a dithiolene-based N-heterocyclic silane.","Dalton transactions (Cambridge, England : 2003)","2024","53","14","6178","6183","10.1039/d3dt03843b","","","0.71073","MoKα","","0.0984","0.0441","","","0.0909","0.1072","","","","","","1.025","","","","has coordinates,has disorder","290948","2024-04-04","23:28:40",""
"7715504","10.8955","0.0014","12.618","0.002","12.7576","0.0015","73.361","0.005","89.927","0.004","64.433","0.004","1500.7","0.4","135","2","135","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H36 B2 Br4 N2 -","- C26 H36 B2 Br4 N2 -","- C52 H72 B4 Br8 N4 -","2","1","","Tran, Phuong M.; Wang, Yuzhong; Lahm, Mitchell E.; Wei, Pingrong; Schaefer, 3rd, Henry F; Robinson, Gregory H.","Unusual nucleophilic reactivity of a dithiolene-based N-heterocyclic silane.","Dalton transactions (Cambridge, England : 2003)","2024","53","14","6178","6183","10.1039/d3dt03843b","","","0.71073","MoKα","","0.0627","0.0441","","","0.1105","0.1206","","","","","","1.015","","","","has coordinates","290948","2024-04-04","23:28:41",""
"7715505","20.95","0.019","12.762","0.011","28.79","0.02","90","","101.17","0.03","90","","7552","11","135","2","135","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C67 H86 B2 I6 N4 S3 Si -","- C67 H86 B2 I6 N4 S3 Si -","- C268 H344 B8 I24 N16 S12 Si4 -","4","1","","Tran, Phuong M.; Wang, Yuzhong; Lahm, Mitchell E.; Wei, Pingrong; Schaefer, 3rd, Henry F; Robinson, Gregory H.","Unusual nucleophilic reactivity of a dithiolene-based N-heterocyclic silane.","Dalton transactions (Cambridge, England : 2003)","2024","53","14","6178","6183","10.1039/d3dt03843b","","","0.71073","MoKα","","0.1552","0.0661","","","0.086","0.1052","","","","","","1.003","","","","has coordinates","290948","2024-04-04","23:28:41",""
"7715506","18.3185","0.0013","9.6977","0.0007","18.5961","0.0013","90","","94.033","0.003","90","","3295.4","0.4","135","2","135","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H34 B2 Br4 N2 S3 -","- C27 H34 B2 Br4 N2 S3 -","- C108 H136 B8 Br16 N8 S12 -","4","1","","Tran, Phuong M.; Wang, Yuzhong; Lahm, Mitchell E.; Wei, Pingrong; Schaefer, 3rd, Henry F; Robinson, Gregory H.","Unusual nucleophilic reactivity of a dithiolene-based N-heterocyclic silane.","Dalton transactions (Cambridge, England : 2003)","2024","53","14","6178","6183","10.1039/d3dt03843b","","","0.71073","MoKα","","0.0702","0.0408","","","0.0783","0.0877","","","","","","1","","","","has coordinates","290948","2024-04-04","23:28:41",""
"7715507","14.4876","0.001","20.1276","0.0013","18.9921","0.0012","90","","91.557","0.002","90","","5536.1","0.6","135","2","135","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H70 B Cl3 N4 S3 Si -","- C53 H70 B Cl3 N4 S3 Si -","- C212 H280 B4 Cl12 N16 S12 Si4 -","4","1","","Tran, Phuong M.; Wang, Yuzhong; Lahm, Mitchell E.; Wei, Pingrong; Schaefer, 3rd, Henry F; Robinson, Gregory H.","Unusual nucleophilic reactivity of a dithiolene-based N-heterocyclic silane.","Dalton transactions (Cambridge, England : 2003)","2024","53","14","6178","6183","10.1039/d3dt03843b","","","0.71073","MoKα","","0.107","0.0566","","","0.0971","0.1141","","","","","","1.01","","","","has coordinates","290948","2024-04-04","23:28:41",""
"7715508","11.2064","0.0009","27.535","0.002","20.4784","0.0015","90","","91.136","0.002","90","","6317.7","0.8","135","2","135","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H70 B2 I6 N4 S3 Si -","- C53 H70 B2 I6 N4 S3 Si -","- C212 H280 B8 I24 N16 S12 Si4 -","4","1","","Tran, Phuong M.; Wang, Yuzhong; Lahm, Mitchell E.; Wei, Pingrong; Schaefer, 3rd, Henry F; Robinson, Gregory H.","Unusual nucleophilic reactivity of a dithiolene-based N-heterocyclic silane.","Dalton transactions (Cambridge, England : 2003)","2024","53","14","6178","6183","10.1039/d3dt03843b","","","0.71073","MoKα","","0.1088","0.0718","","","0.1711","0.2014","","","","","","1.04","","","","has coordinates","290948","2024-04-04","23:28:41",""
"7715509","10.7144","0.0001","10.7144","0.0001","29.4426","0.0004","90","","90","","120","","2927.13","0.06","150","2","150","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C10 I15 N20 Pb17.5 -","- C10 I15 N20 Pb17.5 -","- C20 I30 N40 Pb35 -","2","0.0833333","","Schwarz, Albert T.; Ströbele, Markus; Romao, Carl P.; Enseling, David; Jüstel, Thomas; Meyer, H-Jürgen","The luminescent semiconductor Pb<sub>7</sub>I<sub>6</sub>(CN<sub>2</sub>)<sub>4</sub>.","Dalton transactions (Cambridge, England : 2003)","2024","53","14","6416","6422","10.1039/d4dt00369a","","","0.71073","MoKα","","0.022","0.0212","","","0.0432","0.0435","","","","","","1.113","","","","has coordinates","290950","2024-04-04","23:28:54",""
"7715510","34.835","0.005","7.2995","0.0005","14.2995","0.0017","90","","114.459","0.017","90","","3309.7","0.8","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N4 O13 S2 Sr -","- C26 H28 N4 O13 S2 Sr -","- C104 H112 N16 O52 S8 Sr4 -","4","1","","Rybczyńska, Małgorzata; Sikorski, Artur","Structural insight and <i>in silico</i> prediction of the pharmacokinetic parameters and toxicity of alkaline earth metal compounds strontium and barium with the non-steroidal anti-inflammatory drug nimesulide.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6501","6506","10.1039/d4dt00446a","","","0.71073","MoKα","","0.1351","0.0567","","","0.1029","0.1295","","","","","","0.986","","","","has coordinates,has disorder","291642","2024-05-05","03:03:41",""
"7715511","26.215","0.0011","7.9077","0.0003","31.5526","0.0017","90","","113.318","0.006","90","","6006.6","0.5","291","2","291","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C26 H26 Ba N4 O12 S2 -","- C26 H26 Ba N4 O12 S2 -","- C208 H208 Ba8 N32 O96 S16 -","8","1","","Rybczyńska, Małgorzata; Sikorski, Artur","Structural insight and <i>in silico</i> prediction of the pharmacokinetic parameters and toxicity of alkaline earth metal compounds strontium and barium with the non-steroidal anti-inflammatory drug nimesulide.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6501","6506","10.1039/d4dt00446a","","","0.71073","MoKα","","0.0521","0.0358","","","0.0682","0.0734","","","","","","1.02","","","","has coordinates","291642","2024-05-05","03:03:44",""
"7715512","9.1319","0.0004","9.1319","0.0004","5.2815","0.0003","90","","90","","120","","381.43","0.03","273.15","","273.15","","","","","","","","","3","P 63","P 6c","173","","","","- Cr I3 O9 -","- Cr I3 O9 -","- Cr2 I6 O18 -","2","0.333333","","Chi, Yang; Xin, Mei-Ling","Chromium iodate: the structure and origin of optical second harmonic generation.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7093","7099","10.1039/d4dt00470a","","","0.71073","MoKα","","0.0561","0.0326","","","0.0653","0.0707","","","","","","1.07","","","","has coordinates","291626","2024-05-05","02:51:07",""
"7715513","12.8879","0.0008","17.7778","0.0012","22.5479","0.0015","75.892","0.001","79.585","0.001","71.793","0.001","4728.7","0.5","200","2","200","2","","","","","","","","8","P 1","P 1","1","","","","- C170 H256 B2 Co2 Fe2 N28 O22 S2 -","- C170 H256 B2 Co2 Fe2 N28 O22 S2 -","- C170 H256 B2 Co2 Fe2 N28 O22 S2 -","1","1","","Mihara, Nozomi; Iitsuka, Soyoka; Shiga, Takuya; Nihei, Masayuki","Reversible structural change of [Co<sub>2</sub>Fe<sub>2</sub>] complexes between diamagnetic hydrogen-bonded 1D chains and paramagnetic complexes within a layered structure of amphiphilic anions.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7190","7196","10.1039/d4dt00482e","","","0.71073","MoKα","","0.1249","0.0773","","","0.2057","0.2508","","","","","","1.013","","","","has coordinates,has disorder","291633","2024-05-05","02:55:45",""
"7715514","12.484","0.003","16.445","0.004","22.402","0.005","95.341","0.004","92.874","0.003","94.153","0.004","4559.6","1.9","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C156 H248 B4 Co2 Fe4 N48 O22 -","- C156 H248 B4 Co2 Fe4 N48 O22 -","- C156 H248 B4 Co2 Fe4 N48 O22 -","1","0.5","","Mihara, Nozomi; Iitsuka, Soyoka; Shiga, Takuya; Nihei, Masayuki","Reversible structural change of [Co<sub>2</sub>Fe<sub>2</sub>] complexes between diamagnetic hydrogen-bonded 1D chains and paramagnetic complexes within a layered structure of amphiphilic anions.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7190","7196","10.1039/d4dt00482e","","","0.71073","MoKα","","0.0874","0.0537","","","0.1189","0.1361","","","","","","1.008","","","","has coordinates,has disorder","291633","2024-05-05","02:55:47",""
"7715515","13.052","0.012","16.203","0.015","23.83","0.02","77.546","0.009","78.183","0.008","72.12","0.008","4631","7","200","2","200.15","","","","","","","","","8","P 1","P 1","1","","","","- C170 H250 B2 Co2 Fe2 N28 O16 S2 -","- C170 H250 B2 Co2 Fe2 N28 O16 S2 -","- C170 H250 B2 Co2 Fe2 N28 O16 S2 -","1","1","","Mihara, Nozomi; Iitsuka, Soyoka; Shiga, Takuya; Nihei, Masayuki","Reversible structural change of [Co<sub>2</sub>Fe<sub>2</sub>] complexes between diamagnetic hydrogen-bonded 1D chains and paramagnetic complexes within a layered structure of amphiphilic anions.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7190","7196","10.1039/d4dt00482e","","x-ray","0.71073","MoKα","","0.3697","0.1631","","","0.3473","0.5171","","","","","","1.117","","","","has coordinates","291633","2024-05-05","02:55:47",""
"7715516","9.1465","0.0003","43.3899","0.0011","11.3765","0.0006","90","","100.294","0.004","90","","4442.3","0.3","150","2","150","0.1","","","","","","","","7","I 1 a 1","I -2ya","9","","","","- C46 H38 Fe Ni O6 P2 S2 -","- C46 H38 Fe Ni O6 P2 S2 -","- C184 H152 Fe4 Ni4 O24 P8 S8 -","4","1","","Kushwaha, Aparna; Srivastava, Devyani; Prakash, Om; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Chauhan, Ratna; Muddassir, Mohd; Kumar, Abhinav","1,1'-Bis-(diphenylphosphino)ferrocene appended d<sup>8</sup>- and d<sup>10</sup>-configuration based thiosquarates: the molecular and electronic configurational insights into their sensitization and co-sensitization properties for dye sensitized solar cells.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6818","6829","10.1039/d4dt00151f","","x-ray","1.54184","CuKα","","0.0583","0.0483","","","0.1208","0.1317","","","","","","0.997","","","","has coordinates","291654","2024-05-05","03:14:01",""
"7715517","32.1519","0.0009","11.8405","0.0003","19.0752","0.0006","90","","94.033","0.001","90","","7243.8","0.4","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C132 H96 Cu8 Fe12 N16 O36 S4 -","- C132 H96 Cu8 Fe12 N16 O36 S4 -","- C264 H192 Cu16 Fe24 N32 O72 S8 -","2","0.5","","Hsu, Ming-Chi; Lin, Ru Yan; Sun, Tzu-Yen; Huang, Yu-Xin; Li, Min-Sian; Li, Yu-Huei; Chen, Hui-Lung; Shieh, Minghuey","Inorganic-organic hybrid Cu-dipyridyl semiconducting polymers based on the redox-active cluster [SFe<sub>3</sub>(CO)<sub>9</sub>]<sup>2-</sup>: filling the gap in iron carbonyl chalcogenide polymers.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7303","7314","10.1039/d4dt00254g","","","0.71073","MoKα","","0.0548","0.0395","","","0.0898","0.0992","","","","","","1.029","","","","has coordinates,has disorder","291611","2024-05-05","02:40:28",""
"7715518","10.1738","0.0006","22.244","0.0014","39.699","0.002","90","","91.936","0.002","90","","8979","0.9","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70 H46 Cu4 Fe6 N10 O18 S2 -","- C70 H46 Cu4 Fe6 N10 O18 S2 -","- C280 H184 Cu16 Fe24 N40 O72 S8 -","4","0.5","","Hsu, Ming-Chi; Lin, Ru Yan; Sun, Tzu-Yen; Huang, Yu-Xin; Li, Min-Sian; Li, Yu-Huei; Chen, Hui-Lung; Shieh, Minghuey","Inorganic-organic hybrid Cu-dipyridyl semiconducting polymers based on the redox-active cluster [SFe<sub>3</sub>(CO)<sub>9</sub>]<sup>2-</sup>: filling the gap in iron carbonyl chalcogenide polymers.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7303","7314","10.1039/d4dt00254g","","","0.71073","MoKα","","0.14","0.0707","","","0.1759","0.2136","","","","","","1.074","","","","has coordinates,has disorder","291611","2024-05-05","02:40:32",""
"7715519","11.7021","0.0004","12.1401","0.0004","19.7195","0.0007","102.299","0.001","91.349","0.001","107.867","0.001","2593.21","0.16","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H60 Cu4 Fe6 N12 O18 S2 -","- C90 H60 Cu4 Fe6 N12 O18 S2 -","- C90 H60 Cu4 Fe6 N12 O18 S2 -","1","0.5","","Hsu, Ming-Chi; Lin, Ru Yan; Sun, Tzu-Yen; Huang, Yu-Xin; Li, Min-Sian; Li, Yu-Huei; Chen, Hui-Lung; Shieh, Minghuey","Inorganic-organic hybrid Cu-dipyridyl semiconducting polymers based on the redox-active cluster [SFe<sub>3</sub>(CO)<sub>9</sub>]<sup>2-</sup>: filling the gap in iron carbonyl chalcogenide polymers.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7303","7314","10.1039/d4dt00254g","","","0.71073","MoKα","","0.0385","0.0299","","","0.0658","0.0697","","","","","","1.041","","","","has coordinates","291611","2024-05-05","02:40:32",""
"7715520","12.1657","0.0005","12.5737","0.0005","18.2632","0.0008","87.707","0.001","85.287","0.001","69.397","0.001","2605.98","0.19","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C106 H76 Cu4 Fe6 N16 O18 S2 -","- C106 H76 Cu4 Fe6 N16 O18 S2 -","- C106 H76 Cu4 Fe6 N16 O18 S2 -","1","0.5","","Hsu, Ming-Chi; Lin, Ru Yan; Sun, Tzu-Yen; Huang, Yu-Xin; Li, Min-Sian; Li, Yu-Huei; Chen, Hui-Lung; Shieh, Minghuey","Inorganic-organic hybrid Cu-dipyridyl semiconducting polymers based on the redox-active cluster [SFe<sub>3</sub>(CO)<sub>9</sub>]<sup>2-</sup>: filling the gap in iron carbonyl chalcogenide polymers.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7303","7314","10.1039/d4dt00254g","","","0.71073","MoKα","","0.0543","0.032","","","0.0664","0.0812","","","","","","1.174","","","","has coordinates,has disorder","291611","2024-05-05","02:40:32",""
"7715521","19.8904","0.0003","17.0117","0.0003","23.7088","0.0003","90","","90","","90","","8022.3","0.2","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C78 H48 Cu4 Fe6 N12 O18 S2 -","- C78 H48 Cu4 Fe6 N12 O18 S2 -","- C312 H192 Cu16 Fe24 N48 O72 S8 -","4","0.5","","Hsu, Ming-Chi; Lin, Ru Yan; Sun, Tzu-Yen; Huang, Yu-Xin; Li, Min-Sian; Li, Yu-Huei; Chen, Hui-Lung; Shieh, Minghuey","Inorganic-organic hybrid Cu-dipyridyl semiconducting polymers based on the redox-active cluster [SFe<sub>3</sub>(CO)<sub>9</sub>]<sup>2-</sup>: filling the gap in iron carbonyl chalcogenide polymers.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7303","7314","10.1039/d4dt00254g","","","0.71073","MoKα","","0.0511","0.0299","","","0.0639","0.0714","","","","","","1.014","","","","has coordinates","291611","2024-05-05","02:40:32",""
"7715522","9.9853","0.0008","18.3745","0.0013","16.7011","0.0014","90","","92.858","0.004","90","","3060.4","0.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H30 Cu4 Fe6 N8 O18 S2 -","- C52 H30 Cu4 Fe6 N8 O18 S2 -","- C104 H60 Cu8 Fe12 N16 O36 S4 -","2","0.5","","Hsu, Ming-Chi; Lin, Ru Yan; Sun, Tzu-Yen; Huang, Yu-Xin; Li, Min-Sian; Li, Yu-Huei; Chen, Hui-Lung; Shieh, Minghuey","Inorganic-organic hybrid Cu-dipyridyl semiconducting polymers based on the redox-active cluster [SFe<sub>3</sub>(CO)<sub>9</sub>]<sup>2-</sup>: filling the gap in iron carbonyl chalcogenide polymers.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7303","7314","10.1039/d4dt00254g","","","0.71073","MoKα","","0.0551","0.0343","","","0.0845","0.1029","","","","","","1.146","","","","has coordinates","291611","2024-05-05","02:40:32",""
"7715523","20.9148","0.0009","17.5238","0.0006","4.21488","0.00017","90","","90","","90","","1544.78","0.11","100","0.1","100","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H11 Cl2 N7 O3 S -","- C10 H11 Cl2 N7 O3 S -","- C40 H44 Cl8 N28 O12 S4 -","4","0.5","","Lal, Sohan; Staples, Richard J.; Shreeve, Jean'ne M.","Azidomethyl-bisoxadiazol-linked-1,2,3-triazole-(ABT)-based potential liquid propellant and energetic plasticizer.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7100","7104","10.1039/d4dt00638k","","x-ray","1.54184","CuKα","","0.0614","0.0447","","","0.1105","0.1214","","","","","","1.033","","","","has coordinates,has disorder","291627","2024-05-05","02:51:26",""
"7715524","17.3178","0.0003","17.3178","0.0003","21.865","0.0007","90","","90","","120","","5678.9","0.2","120","2","120","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C30 H96 F18 Mn3 N6 O36 P6 -","- C30 H96 F18 Mn3 N6 O36 P6 -","- C90 H288 F54 Mn9 N18 O108 P18 -","3","0.166667","","Koucký, Filip; Dobrovolná, Tereza; Kotek, Jan; Císařová, Ivana; Havlíčková, Jana; Liška, Alan; Kubíček, Vojtěch; Hermann, Petr","Transition metal complexes of the (2,2,2-trifluoroethyl)phosphinate NOTA analogue as potential contrast agents for <sup>19</sup>F magnetic resonance imaging.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9267","9285","10.1039/d4dt00507d","","","0.71073","MoKα","","0.0358","0.034","","","0.097","0.11","","","","","","1.097","","","","has coordinates","293023","2024-07-05","16:05:20",""
"7715525","7.349","0.0004","11.7365","0.0006","15.2447","0.0008","90","","90","","90","","1314.88","0.12","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C2 H7 F3 N O2 P -","- C2 H7 F3 N O2 P -","- C16 H56 F24 N8 O16 P8 -","8","1","","Koucký, Filip; Dobrovolná, Tereza; Kotek, Jan; Císařová, Ivana; Havlíčková, Jana; Liška, Alan; Kubíček, Vojtěch; Hermann, Petr","Transition metal complexes of the (2,2,2-trifluoroethyl)phosphinate NOTA analogue as potential contrast agents for <sup>19</sup>F magnetic resonance imaging.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9267","9285","10.1039/d4dt00507d","","","1.54178","CuKα","","0.0259","0.0259","","","0.0759","0.0759","","","","","","1.101","","","","has coordinates","293023","2024-07-05","16:05:20",""
"7715526","25.658","0.002","9.3786","0.0007","24.1366","0.0019","90","","100.726","0.003","90","","5706.7","0.8","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C15 H35 Co F9 N4 O9.5 P3 -","- C15 H35 Co F9 N4 O9.5 P3 -","- C120 H280 Co8 F72 N32 O76 P24 -","8","1","","Koucký, Filip; Dobrovolná, Tereza; Kotek, Jan; Císařová, Ivana; Havlíčková, Jana; Liška, Alan; Kubíček, Vojtěch; Hermann, Petr","Transition metal complexes of the (2,2,2-trifluoroethyl)phosphinate NOTA analogue as potential contrast agents for <sup>19</sup>F magnetic resonance imaging.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9267","9285","10.1039/d4dt00507d","","","0.71073","MoKα","","0.0463","0.044","","","0.1024","0.1035","","","","","","1.161","","","","has coordinates,has disorder","293023","2024-07-05","16:05:20",""
"7715527","8.2859","0.0004","11.544","0.0006","11.0029","0.0005","90","","93.944","0.002","90","","1049.96","0.09","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 F3 O3 S -","- C9 H9 F3 O3 S -","- C36 H36 F12 O12 S4 -","4","1","","Koucký, Filip; Dobrovolná, Tereza; Kotek, Jan; Císařová, Ivana; Havlíčková, Jana; Liška, Alan; Kubíček, Vojtěch; Hermann, Petr","Transition metal complexes of the (2,2,2-trifluoroethyl)phosphinate NOTA analogue as potential contrast agents for <sup>19</sup>F magnetic resonance imaging.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9267","9285","10.1039/d4dt00507d","","","0.71073","MoKα","","0.0287","0.0281","","","0.0743","0.0748","","","","","","1.113","","","","has coordinates,has disorder","293023","2024-07-05","16:05:20",""
"7715528","12.9012","0.0004","6.537","0.0002","17.6777","0.0006","90","","110.443","0.001","90","","1396.96","0.08","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H21 F3 N O2 P -","- C12 H21 F3 N O2 P -","- C48 H84 F12 N4 O8 P4 -","4","1","","Koucký, Filip; Dobrovolná, Tereza; Kotek, Jan; Císařová, Ivana; Havlíčková, Jana; Liška, Alan; Kubíček, Vojtěch; Hermann, Petr","Transition metal complexes of the (2,2,2-trifluoroethyl)phosphinate NOTA analogue as potential contrast agents for <sup>19</sup>F magnetic resonance imaging.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9267","9285","10.1039/d4dt00507d","","","0.71073","MoKα","","0.0379","0.0315","","","0.0834","0.0873","","","","","","1.08","","","","has coordinates","293023","2024-07-05","16:05:20",""
"7715529","16.6902","0.0005","11.6001","0.0004","17.4365","0.0006","90","","92.07","0.001","90","","3373.64","0.19","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C15 H42 Cl2 F9 Mn N6 O9 P3 -","- C15 H42 Cl2 F9 Mn N6 O9 P3 -","- C60 H168 Cl8 F36 Mn4 N24 O36 P12 -","4","1","","Koucký, Filip; Dobrovolná, Tereza; Kotek, Jan; Císařová, Ivana; Havlíčková, Jana; Liška, Alan; Kubíček, Vojtěch; Hermann, Petr","Transition metal complexes of the (2,2,2-trifluoroethyl)phosphinate NOTA analogue as potential contrast agents for <sup>19</sup>F magnetic resonance imaging.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9267","9285","10.1039/d4dt00507d","","","0.71073","MoKα","","0.0308","0.0288","","","0.0808","0.0823","","","","","","1.061","","","","has coordinates","293023","2024-07-05","16:05:20",""
"7715530","14.7089","0.0002","14.7089","0.0002","14.7089","0.0002","90","","90","","90","","3182.3","0.07","120","2","120","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C15 H34 Cl F9 N3 O11 P3 Zn2 -","- C15 H33.9996 Cl F9 N3 O10.9998 P3 Zn2 -","- C60 H135.998 Cl4 F36 N12 O43.9992 P12 Zn8 -","4","0.333333","","Koucký, Filip; Dobrovolná, Tereza; Kotek, Jan; Císařová, Ivana; Havlíčková, Jana; Liška, Alan; Kubíček, Vojtěch; Hermann, Petr","Transition metal complexes of the (2,2,2-trifluoroethyl)phosphinate NOTA analogue as potential contrast agents for <sup>19</sup>F magnetic resonance imaging.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9267","9285","10.1039/d4dt00507d","","","0.71073","MoKα","","0.0274","0.0266","","","0.0673","0.0678","","","","","","1.04","","","","has coordinates,has disorder","293023","2024-07-05","16:05:20",""
"7715531","17.588","0.0004","17.588","0.0004","18.4148","0.0006","90","","90","","120","","4933.2","0.2","120","2","120","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C30 H84 F18 Mg N6 Ni2 O30 P6 -","- C30 H84 F18 Mg N6 Ni2 O30 P6 -","- C90 H252 F54 Mg3 N18 Ni6 O90 P18 -","3","0.166667","","Koucký, Filip; Dobrovolná, Tereza; Kotek, Jan; Císařová, Ivana; Havlíčková, Jana; Liška, Alan; Kubíček, Vojtěch; Hermann, Petr","Transition metal complexes of the (2,2,2-trifluoroethyl)phosphinate NOTA analogue as potential contrast agents for <sup>19</sup>F magnetic resonance imaging.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9267","9285","10.1039/d4dt00507d","","","0.71073","MoKα","","0.02","0.0197","","","0.0498","0.05","","","","","","1.088","","","","has coordinates","293023","2024-07-05","16:05:20",""
"7715532","8.3574","0.0002","10.8556","0.0003","17.8608","0.0004","99.815","0.001","92.158","0.001","110.264","0.001","1489.65","0.06","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C15 H38 Cl Cu F9 N5 O9 P3 -","- C15 H38 Cl Cu F9 N5 O9 P3 -","- C30 H76 Cl2 Cu2 F18 N10 O18 P6 -","2","1","","Koucký, Filip; Dobrovolná, Tereza; Kotek, Jan; Císařová, Ivana; Havlíčková, Jana; Liška, Alan; Kubíček, Vojtěch; Hermann, Petr","Transition metal complexes of the (2,2,2-trifluoroethyl)phosphinate NOTA analogue as potential contrast agents for <sup>19</sup>F magnetic resonance imaging.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9267","9285","10.1039/d4dt00507d","","","0.71073","MoKα","","0.0365","0.0315","","","0.0814","0.085","","","","","","1.058","","","","has coordinates,has disorder","293023","2024-07-05","16:05:20",""
"7715533","13.7602","0.0006","14.0687","0.0006","32.8775","0.0013","90","","93.802","0.002","90","","6350.7","0.5","120","2","120","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C39 H66 Br Co2 F18 N6 Na3 O15 P6 -","- C39 H66 Br Co2 F18 N6 Na3 O15 P6 -","- C156 H264 Br4 Co8 F72 N24 Na12 O60 P24 -","4","1","","Koucký, Filip; Dobrovolná, Tereza; Kotek, Jan; Císařová, Ivana; Havlíčková, Jana; Liška, Alan; Kubíček, Vojtěch; Hermann, Petr","Transition metal complexes of the (2,2,2-trifluoroethyl)phosphinate NOTA analogue as potential contrast agents for <sup>19</sup>F magnetic resonance imaging.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9267","9285","10.1039/d4dt00507d","","","1.54178","CuKα","","0.102","0.0945","","","0.2563","0.2617","","","","","","1.114","","","","has coordinates,has disorder","293023","2024-07-05","16:05:20",""
"7715534","25.5776","0.001","9.4016","0.0003","24.4262","0.0008","90","","101.072","0.001","90","","5764.4","0.3","180","2","180","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C15 H35 Cu F9 N4 O9.5 P3 -","- C15 H35 Cu F9 N4 O9.5 P3 -","- C120 H280 Cu8 F72 N32 O76 P24 -","8","1","","Koucký, Filip; Dobrovolná, Tereza; Kotek, Jan; Císařová, Ivana; Havlíčková, Jana; Liška, Alan; Kubíček, Vojtěch; Hermann, Petr","Transition metal complexes of the (2,2,2-trifluoroethyl)phosphinate NOTA analogue as potential contrast agents for <sup>19</sup>F magnetic resonance imaging.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9267","9285","10.1039/d4dt00507d","","","0.71073","MoKα","","0.0291","0.0272","","","0.0739","0.0753","","","","","","1.032","","","","has coordinates,has disorder","293023","2024-07-05","16:05:20",""
"7715535","34.3841","0.0008","34.3841","0.0008","40.961","0.0015","90","","90","","120","","41939","2","120","2","120","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C30.75 H91.5 Co3 F18 N6 O33 P6 -","- C30.75 H91.5 Co3 F18 N6 O33 P6 -","- C738 H2196 Co72 F432 N144 O792 P144 -","24","1.33333","","Koucký, Filip; Dobrovolná, Tereza; Kotek, Jan; Císařová, Ivana; Havlíčková, Jana; Liška, Alan; Kubíček, Vojtěch; Hermann, Petr","Transition metal complexes of the (2,2,2-trifluoroethyl)phosphinate NOTA analogue as potential contrast agents for <sup>19</sup>F magnetic resonance imaging.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9267","9285","10.1039/d4dt00507d","","","0.71073","MoKα","","0.0601","0.0362","","","0.0877","0.1024","","","","","","1.023","","","","has coordinates,has disorder","293023","2024-07-05","16:05:20",""
"7715536","8.5069","0.0003","8.567","0.0002","18.8513","0.0007","90","","97.645","0.003","90","","1361.64","0.08","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis[2,6-di{pyrazol-1-yl}pyridine]nickel(II) diperchlorate","","- C22 H18 Cl2 N10 Ni O8 -","- C22 H18 Cl2 N10 Ni O8 -","- C44 H36 Cl4 N20 Ni2 O16 -","2","1","","Halcrow, Malcolm A.; Vasili, Hari Babu; Pask, Christopher M.; Kulak, Alexander N.; Cespedes, Oscar","Activating a high-spin iron(II) complex to thermal spin-crossover with an inert non-isomorphous molecular dopant.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6983","6992","10.1039/d4dt00443d","","x-ray","0.71073","MoKα","","0.0392","0.0351","","","0.0659","0.0686","","","","","","1.05","","","","has coordinates,has disorder","291623","2024-05-05","02:49:03",""
"7715537","14.5206","0.0002","9.3323","0.0001","20.1872","0.0002","90","","99.014","0.001","90","","2701.8","0.05","300","1","300","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis-[2,6-dipyrazol-1-ylpyridine]iron(II) diperchlorate","","- C22 H18 Cl2 Fe N10 O8 -","- C22 H18 Cl2 Fe N10 O8 -","- C88 H72 Cl8 Fe4 N40 O32 -","4","0.5","","Halcrow, Malcolm A.; Vasili, Hari Babu; Pask, Christopher M.; Kulak, Alexander N.; Cespedes, Oscar","Activating a high-spin iron(II) complex to thermal spin-crossover with an inert non-isomorphous molecular dopant.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6983","6992","10.1039/d4dt00443d","","x-ray","1.54184","CuKα","","0.0451","0.0428","","","0.124","0.1266","","","","","","1.032","","","","has coordinates,has disorder","291623","2024-05-05","02:49:06",""
"7715538","14.65","0.0005","9.489","0.0004","20.6037","0.0005","90","","98.792","0.002","90","","2830.54","0.17","300","2","300.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis-[2,6-dipyrazol-1-ylpyridine]iron(II) di(hexafluorophosphate)","","- C22 H18 F12 Fe N10 P2 -","- C22 H18 F12 Fe N10 P2 -","- C88 H72 F48 Fe4 N40 P8 -","4","0.5","","Halcrow, Malcolm A.; Vasili, Hari Babu; Pask, Christopher M.; Kulak, Alexander N.; Cespedes, Oscar","Activating a high-spin iron(II) complex to thermal spin-crossover with an inert non-isomorphous molecular dopant.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6983","6992","10.1039/d4dt00443d","","","0.71073","MoKα","","0.0466","0.0359","","","0.0924","0.0998","","","","","","1.022","","","","has coordinates,has disorder","291623","2024-05-05","02:49:06",""
"7715539","8.5567","0.0007","8.6233","0.0006","19.2053","0.0015","90","","96.371","0.007","90","","1408.35","0.19","300","0.1","300","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","Bis[2,6-di(pyrazol-1-yl)pyridine]iron(II) bis[2,6-di(pyrazol-1-yl)pyridine]-nickel(II) ditetrafluoroborate 0.50:0.50 solid solution","","- C22 H18 Cl2 Fe0.5 N10 Ni0.5 O8 -","- C22 H18 Cl2 Fe0.5 N10 Ni0.5 O8 -","- C44 H36 Cl4 Fe N20 Ni O16 -","2","1","","Halcrow, Malcolm A.; Vasili, Hari Babu; Pask, Christopher M.; Kulak, Alexander N.; Cespedes, Oscar","Activating a high-spin iron(II) complex to thermal spin-crossover with an inert non-isomorphous molecular dopant.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6983","6992","10.1039/d4dt00443d","","x-ray","0.71073","MoKα","","0.0765","0.0532","","","0.1074","0.121","","","","","","1.084","","","","has coordinates,has disorder","291623","2024-05-05","02:49:06",""
"7715540","8.4913","0.0004","8.5507","0.0004","18.725","0.0008","90","","98.181","0.004","90","","1345.72","0.11","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","Bis[2,6-di(pyrazol-1-yl)pyridine]iron(II) bis[2,6-di(pyrazol-1-yl)pyridine]-nickel(II) ditetrafluoroborate 0.50:0.50 solid solution","","- C22 H18 Cl2 Fe0.5 N10 Ni0.5 O8 -","- C22 H18 Cl2 Fe0.5 N10 Ni0.5 O8 -","- C44 H36 Cl4 Fe N20 Ni O16 -","2","1","","Halcrow, Malcolm A.; Vasili, Hari Babu; Pask, Christopher M.; Kulak, Alexander N.; Cespedes, Oscar","Activating a high-spin iron(II) complex to thermal spin-crossover with an inert non-isomorphous molecular dopant.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6983","6992","10.1039/d4dt00443d","","x-ray","0.71073","MoKα","","0.0433","0.0377","","","0.0712","0.0739","","","","","","1.033","","","","has coordinates,has disorder","291623","2024-05-05","02:49:07",""
"7715541","8.4873","0.0005","8.5486","0.0005","18.6946","0.001","90","","98.424","0.005","90","","1341.74","0.13","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","Bis[2,6-di(pyrazol-1-yl)pyridine]iron(II) bis[2,6-di(pyrazol-1-yl)pyridine]-nickel(II) ditetrafluoroborate 0.76:0.24 solid solution","","- C22 H18 Cl2 Fe0.76 N10 Ni0.24 O8 -","- C22 H18 Cl2 Fe0.76 N10 Ni0.24 O8 -","- C44 H36 Cl4 Fe1.52 N20 Ni0.48 O16 -","2","1","","Halcrow, Malcolm A.; Vasili, Hari Babu; Pask, Christopher M.; Kulak, Alexander N.; Cespedes, Oscar","Activating a high-spin iron(II) complex to thermal spin-crossover with an inert non-isomorphous molecular dopant.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6983","6992","10.1039/d4dt00443d","","x-ray","0.71073","MoKα","","0.0532","0.0487","","","0.0911","0.0931","","","","","","1.111","","","","has coordinates,has disorder","291623","2024-05-05","02:49:07",""
"7715542","9.5472","0.0003","9.5472","0.0003","16.7921","0.001","90","","90","","90","","1530.58","0.11","120","","120","","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C29 H39 B2 Fe N7 O4 -","- C24 H22 B2 Fe N6 -","- C48 H44 B4 Fe2 N12 -","2","0.125","","Wu, Meng-Ling; Chen, Yan-Cong; Ruan, Ze-Yu; Ni, Zhao-Ping; Wu, Si-Guo; Tong, Ming-Liang","Two-dimensional spin-crossover coordination polymers based on the 1,1,2,2-tetra(pyridin-4-yl)ethene ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7470","7476","10.1039/d4dt00204k","","","0.71073","MoKα","","0.0308","0.0289","","","0.0696","0.0703","","","","","","1.179","","","","has coordinates,has disorder","291604","2024-05-05","02:34:52",""
"7715543","9.5479","0.0005","9.5479","0.0005","16.7363","0.0019","90","","90","","90","","1525.7","0.2","120.15","","120.15","","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C27.5 H29.5 Fe N6.5 O3.5 Se2 -","- C24 H16 Fe N6 Se2 -","- C48 H32 Fe2 N12 Se4 -","2","0.125","","Wu, Meng-Ling; Chen, Yan-Cong; Ruan, Ze-Yu; Ni, Zhao-Ping; Wu, Si-Guo; Tong, Ming-Liang","Two-dimensional spin-crossover coordination polymers based on the 1,1,2,2-tetra(pyridin-4-yl)ethene ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7470","7476","10.1039/d4dt00204k","","","0.71073","MoKα","","0.0825","0.0685","","","0.1904","0.1996","","","","","","1.114","","","","has coordinates,has disorder","291604","2024-05-05","02:34:56",""
"7715544","9.5426","0.0001","9.5426","0.0001","16.2834","0.0007","90","","90","","90","","1482.79","0.07","120.15","","120.15","","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C27.5 H29.5 Fe N6.5 O3.5 S2 -","- C24 H16 Fe N6 S2 -","- C48 H32 Fe2 N12 S4 -","2","0.125","","Wu, Meng-Ling; Chen, Yan-Cong; Ruan, Ze-Yu; Ni, Zhao-Ping; Wu, Si-Guo; Tong, Ming-Liang","Two-dimensional spin-crossover coordination polymers based on the 1,1,2,2-tetra(pyridin-4-yl)ethene ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7470","7476","10.1039/d4dt00204k","","","0.71073","MoKα","","0.0683","0.0549","","","0.1329","0.1389","","","","","","1.015","","","","has coordinates,has disorder","291604","2024-05-05","02:34:56",""
"7715545","9.8102","0.0006","9.8102","0.0006","17.649","0.003","90","","90","","90","","1698.5","0.3","300.15","","300.15","","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C29 H39 B2 Fe N7 O4 -","- C24 H22 B2 Fe N6 -","- C48 H44 B4 Fe2 N12 -","2","0.125","","Wu, Meng-Ling; Chen, Yan-Cong; Ruan, Ze-Yu; Ni, Zhao-Ping; Wu, Si-Guo; Tong, Ming-Liang","Two-dimensional spin-crossover coordination polymers based on the 1,1,2,2-tetra(pyridin-4-yl)ethene ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7470","7476","10.1039/d4dt00204k","","","0.71073","MoKα","","0.0598","0.0549","","","0.1346","0.1369","","","","","","1.107","","","","has coordinates,has disorder","291604","2024-05-05","02:34:56",""
"7715546","9.8316","0.0004","9.8316","0.0004","17.3768","0.0018","90","","90","","90","","1679.6","0.2","250.15","","250.15","","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C27.5 H29.5 Fe N6.5 O3.5 Se2 -","- C24 H16 Fe N6 Se2 -","- C48 H32 Fe2 N12 Se4 -","2","0.125","","Wu, Meng-Ling; Chen, Yan-Cong; Ruan, Ze-Yu; Ni, Zhao-Ping; Wu, Si-Guo; Tong, Ming-Liang","Two-dimensional spin-crossover coordination polymers based on the 1,1,2,2-tetra(pyridin-4-yl)ethene ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7470","7476","10.1039/d4dt00204k","","","0.71073","MoKα","","0.0978","0.0829","","","0.2373","0.2493","","","","","","1.088","","","","has coordinates,has disorder","291604","2024-05-05","02:34:57",""
"7715547","9.8267","0.0012","9.8267","0.0012","16.767","0.004","90","","90","","90","","1619.1","0.5","250.15","","250.15","","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C27.5 H29.5 Fe N6.5 O3.5 S2 -","- C24 H16 Fe N6 S2 -","- C48 H32 Fe2 N12 S4 -","2","0.125","","Wu, Meng-Ling; Chen, Yan-Cong; Ruan, Ze-Yu; Ni, Zhao-Ping; Wu, Si-Guo; Tong, Ming-Liang","Two-dimensional spin-crossover coordination polymers based on the 1,1,2,2-tetra(pyridin-4-yl)ethene ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7470","7476","10.1039/d4dt00204k","","","0.71073","MoKα","","0.0515","0.0454","","","0.1196","0.121","","","","","","1.12","","","","has coordinates,has disorder","291604","2024-05-05","02:34:57",""
"7715548","19.757","0.008","6.8303","0.0015","18.858","0.009","90","","115.43","0.05","90","","2298.3","1.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H15 Li O5 -","- C10 H15 Li O5 -","- C80 H120 Li8 O40 -","8","1","","Petrus, Rafał; Kowaliński, Adrian; Lis, Tadeusz","Recycling primary lithium batteries using a coordination chemistry approach: recovery of lithium and manganese residues in the form of industrially important materials.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7450","7469","10.1039/d4dt00648h","","x-ray","0.71073","MoKα","","0.0452","0.0387","","","0.0991","0.104","","","","","","1.049","","","","has coordinates","291617","2024-05-05","02:44:14",""
"7715549","23.405","0.004","8.9588","0.0012","20.406","0.003","90","","94.63","0.02","90","","4264.8","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 Li2 O8 -","- C20 H26 Li2 O8 -","- C160 H208 Li16 O64 -","8","1","","Petrus, Rafał; Kowaliński, Adrian; Lis, Tadeusz","Recycling primary lithium batteries using a coordination chemistry approach: recovery of lithium and manganese residues in the form of industrially important materials.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7450","7469","10.1039/d4dt00648h","","","0.71073","MoKα","","0.0787","0.0773","","","0.1967","0.1972","","","","","","1.21","","","","has coordinates,has disorder","291617","2024-05-05","02:44:20",""
"7715550","4.9781","0.001","11.479","0.002","26.144","0.005","90","","94.95","0.02","90","","1488.4","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Li O6 -","- C16 H15 Li O6 -","- C64 H60 Li4 O24 -","4","1","","Petrus, Rafał; Kowaliński, Adrian; Lis, Tadeusz","Recycling primary lithium batteries using a coordination chemistry approach: recovery of lithium and manganese residues in the form of industrially important materials.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7450","7469","10.1039/d4dt00648h","","x-ray","1.54184","CuKα","","0.0549","0.0467","","","0.1224","0.1292","","","","","","1.07","","","","has coordinates","291617","2024-05-05","02:44:20",""
"7715551","16.66","0.006","10.12","0.002","7.004","0.0017","90","","90","","90","","1180.9","0.6","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H15 Li O5 -","- C10 H15 Li O5 -","- C40 H60 Li4 O20 -","4","1","","Petrus, Rafał; Kowaliński, Adrian; Lis, Tadeusz","Recycling primary lithium batteries using a coordination chemistry approach: recovery of lithium and manganese residues in the form of industrially important materials.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7450","7469","10.1039/d4dt00648h","","x-ray","0.71073","MoKα","","0.0256","0.0245","","","0.0667","0.0673","","","","","","1.061","","","","has coordinates","291617","2024-05-05","02:44:20",""
"7715552","6.4307","0.0016","10.351","0.002","24.58","0.006","90","","90.61","0.03","90","","1636.1","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Li2 O8 -","- C16 H18 Li2 O8 -","- C64 H72 Li8 O32 -","4","1","","Petrus, Rafał; Kowaliński, Adrian; Lis, Tadeusz","Recycling primary lithium batteries using a coordination chemistry approach: recovery of lithium and manganese residues in the form of industrially important materials.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7450","7469","10.1039/d4dt00648h","","x-ray","1.54184","CuKα","","0.071","0.0672","","","0.1856","0.1916","","","","","","1.063","","","","has coordinates","291617","2024-05-05","02:44:20",""
"7715553","26.154","0.005","10.384","0.0018","6.4727","0.0011","90","","102.25","0.03","90","","1717.9","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16.8 H19.6 Li2 O8 -","- C16.8 H19.6 Li2 O8 -","- C67.2 H78.4 Li8 O32 -","4","0.5","","Petrus, Rafał; Kowaliński, Adrian; Lis, Tadeusz","Recycling primary lithium batteries using a coordination chemistry approach: recovery of lithium and manganese residues in the form of industrially important materials.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7450","7469","10.1039/d4dt00648h","","x-ray","1.54184","CuKα","","0.0394","0.0373","","","0.099","0.1005","","","","","","1.079","","","","has coordinates,has disorder","291617","2024-05-05","02:44:20",""
"7715554","6.442","0.003","10.346","0.002","12.498","0.002","99.32","0.02","91.04","0.02","90.12","0.02","821.8","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 Li2 O8 -","- C16 H18 Li2 O8 -","- C32 H36 Li4 O16 -","2","1","","Petrus, Rafał; Kowaliński, Adrian; Lis, Tadeusz","Recycling primary lithium batteries using a coordination chemistry approach: recovery of lithium and manganese residues in the form of industrially important materials.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7450","7469","10.1039/d4dt00648h","","","1.54184","CuKα","","0.1235","0.1079","","","0.272","0.3029","","","","","","1.1","","","","has coordinates","291617","2024-05-05","02:44:20",""
"7715555","8.377","0.002","12.233","0.003","13.36","0.003","68.71","0.03","80.75","0.03","89.55","0.03","1257.2","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H54 Li6 O18 -","- C54 H54 Li6 O18 -","- C54 H54 Li6 O18 -","1","0.5","","Petrus, Rafał; Kowaliński, Adrian; Lis, Tadeusz","Recycling primary lithium batteries using a coordination chemistry approach: recovery of lithium and manganese residues in the form of industrially important materials.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7450","7469","10.1039/d4dt00648h","","x-ray","0.71073","MoKα","","0.0488","0.037","","","0.0867","0.0942","","","","","","1.028","","","","has coordinates","291617","2024-05-05","02:44:21",""
"7715556","10.823","0.003","12.501","0.003","13.588","0.004","102.57","0.02","108.41","0.02","111.69","0.02","1499.8","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C57.24 H64.48 Li6 O23.62 -","- C57.24 H64.48 Li6 O23.62 -","- C57.24 H64.48 Li6 O23.62 -","1","0.5","","Petrus, Rafał; Kowaliński, Adrian; Lis, Tadeusz","Recycling primary lithium batteries using a coordination chemistry approach: recovery of lithium and manganese residues in the form of industrially important materials.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7450","7469","10.1039/d4dt00648h","","","0.71073","MoKα","","0.11","0.0739","","","0.1851","0.2227","","","","","","1.051","","","","has coordinates,has disorder","291617","2024-05-05","02:44:21",""
"7715557","8.285","0.002","12.146","0.004","13.254","0.004","67.26","0.03","78.53","0.02","87.65","0.02","1204.6","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H48 Li6 O18 -","- C51 H48 Li6 O18 -","- C51 H48 Li6 O18 -","1","0.5","","Petrus, Rafał; Kowaliński, Adrian; Lis, Tadeusz","Recycling primary lithium batteries using a coordination chemistry approach: recovery of lithium and manganese residues in the form of industrially important materials.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7450","7469","10.1039/d4dt00648h","","x-ray","0.71073","MoKα","","0.0509","0.0392","","","0.0907","0.097","","","","","","1.05","","","","has coordinates,has disorder","291617","2024-05-05","02:44:21",""
"7715558","10.112","0.002","11.581","0.003","11.92","0.003","76.17","0.02","85.1","0.02","65.65","0.03","1234.7","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H60 Li4 O20 -","- C46 H60 Li4 O20 -","- C46 H60 Li4 O20 -","1","0.5","","Petrus, Rafał; Kowaliński, Adrian; Lis, Tadeusz","Recycling primary lithium batteries using a coordination chemistry approach: recovery of lithium and manganese residues in the form of industrially important materials.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7450","7469","10.1039/d4dt00648h","","x-ray","0.71073","MoKα","","0.0347","0.0313","","","0.0825","0.0842","","","","","","1.065","","","","has coordinates","291617","2024-05-05","02:44:21",""
"7715559","7.792","0.0002","10.0383","0.0003","12.4545","0.0004","102.185","0.001","92.113","0.001","92.889","0.001","949.89","0.05","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H52 Cl2 N2 O4 P2 Pd2 -","- C36 H52 Cl2 N2 O4 P2 Pd2 -","- C36 H52 Cl2 N2 O4 P2 Pd2 -","1","0.5","","Leong, Derek W.; Shao, Yanwu; Ni, Zhen; Bhuvanesh, Nattamai; Ozerov, Oleg V.","A bis(PCN) palladium pincer complex with a remarkably planar 2,5-diarylpyrazine core.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6520","6523","10.1039/d3dt04248k","","","1.54178","CuKα","","0.0181","0.0175","","","0.0434","0.0443","","","","","","1.076","","","","has coordinates,has disorder","291649","2024-05-05","03:07:54",""
"7715560","13.0368","0.0004","13.9158","0.0005","18.043","0.0006","69.419","0.002","81.68","0.002","78.062","0.002","2988.85","0.18","110","0.1","110","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C48 H45 N6 O12 P4 Pd -","- C48 H45 N6 O12 P4 Pd -","- C96 H90 N12 O24 P8 Pd2 -","2","1","","Kechiche, Azhar; Al Shehimy, Shaymaa; Khrouz, Lhoussain; Monnereau, Cyrille; Bucher, Christophe; Parola, Stephane; Bessmertnykh-Lemeune, Alla; Rousselin, Yoann; Cheprakov, Andrey V.; Nasri, Habib","Phosphonate-substituted porphyrins as efficient, cost-effective and reusable photocatalysts.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7498","7516","10.1039/d4dt00418c","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0767","0.0606","","","0.1437","0.1521","","","","","","1.123","","","","has coordinates,has disorder","291605","2024-05-05","02:35:28",""
"7715561","8.2082","0.0004","10.3281","0.0005","16.6727","0.0008","104.253","0.002","90.264","0.002","102.507","0.002","1334.9","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H48 Cr N4 P4 -","- C20 H48 Cr N4 P4 -","- C40 H96 Cr2 N8 P8 -","2","1","","Beasley, Charles H.; Duletski, Olivia L.; Stankevich, Ksenia S.; Arulsamy, Navamoney; Mock, Michael T.","Catalytic dinitrogen reduction to hydrazine and ammonia using Cr(N<sub>2</sub>)<sub>2</sub>(diphosphine)<sub>2</sub> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6496","6500","10.1039/d4dt00702f","","","0.71073","MoKα","","0.0346","0.029","","","0.0696","0.0736","","","","","","1.084","","","","has coordinates","291656","2024-05-05","03:15:35",""
"7715562","7.4075","0.0014","8.633","0.0017","8.9332","0.0019","104.558","0.006","105.008","0.006","103.613","0.007","505.73","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","O2CB-084. Cr(dmpe)(N2)2.","","","- C12 H32 Cr N4 P4 -","- C12 H32 Cr N4 P4 -","- C12 H32 Cr N4 P4 -","1","0.5","","Beasley, Charles H.; Duletski, Olivia L.; Stankevich, Ksenia S.; Arulsamy, Navamoney; Mock, Michael T.","Catalytic dinitrogen reduction to hydrazine and ammonia using Cr(N<sub>2</sub>)<sub>2</sub>(diphosphine)<sub>2</sub> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6496","6500","10.1039/d4dt00702f","","","0.71073","MoKα","","0.0523","0.0378","","","0.072","0.0766","","","","","","1.067","","","","has coordinates","291656","2024-05-05","03:15:41",""
"7715563","13.2008","0.0016","15.706","0.002","16.0595","0.0017","81.353","0.004","77.826","0.004","67.397","0.004","2995.9","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C750 H1200 Fe2 N150 O75 -","- C36 H21 Fe N3 O3 -","- C144 H84 Fe4 N12 O12 -","4","2","","Kamboj, Nisha; Dey, Ayan; Birara, Sunita; Majumder, Moumita; Sengupta, Srijan; Metre, Ramesh K.","Designing one-compartment H<sub>2</sub>O<sub>2</sub> fuel cell using electroactive phenalenyl-based [Fe<sub>2</sub>(hnmh-PLY)<sub>3</sub>] complex as the cathode material.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7152","7162","10.1039/d4dt00134f","","","0.71073","MoKα","","0.1027","0.0773","","","0.188","0.2004","","","","","","1.221","","","","has coordinates","291628","2024-05-05","02:52:02",""
"7715564","4.641","0.0008","13.252","0.003","27.377","0.005","90","","90","","90","","1683.8","0.6","273.15","","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","NK_293","","- C96 H64 N8 O8 -","- C96 H64 N8 O8 -","- C96 H64 N8 O8 -","1","0.25","","Kamboj, Nisha; Dey, Ayan; Birara, Sunita; Majumder, Moumita; Sengupta, Srijan; Metre, Ramesh K.","Designing one-compartment H<sub>2</sub>O<sub>2</sub> fuel cell using electroactive phenalenyl-based [Fe<sub>2</sub>(hnmh-PLY)<sub>3</sub>] complex as the cathode material.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7152","7162","10.1039/d4dt00134f","","","0.71073","MoKα","","0.0966","0.0653","","","0.1632","0.1897","","","","","","1.14","","","","has coordinates","291628","2024-05-05","02:52:07",""
"7715565","10.5179","0.0003","11.2268","0.0004","19.1391","0.0007","85.061","0.001","75.264","0.001","63.177","0.001","1949.41","0.12","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H37 Cl O P2 Ru -","- C43 H37 Cl O P2 Ru -","- C86 H74 Cl2 O2 P4 Ru2 -","2","1","","Franco Machado, João; Sá, Marco; Pires, Inês; da Silva, Miguel Tarita; Marques, Fernanda; Coelho, Jaime A. S.; Mendes, Filipa; Piedade, M Fátima M; Machuqueiro, Miguel; Jiménez, María Angeles; Garcia, Maria Helena; Correia, João D G; Morais, Tânia S","Dual FGFR-targeting and pH-activatable ruthenium-peptide conjugates for targeted therapy of breast cancer.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7682","7693","10.1039/d4dt00497c","","","0.71073","MoKα","","0.046","0.0393","","","0.128","0.1344","","","","","","0.936","","","","has coordinates","293103","2024-07-05","16:39:55",""
"7715566","10.6705","0.0006","15.8832","0.0011","19.6104","0.0012","90","","92.973","0.002","90","","3319.1","0.4","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 F3 N4 O4 P Ru S -","- C35 H30 F3 N4 O4 P Ru S -","- C140 H120 F12 N16 O16 P4 Ru4 S4 -","4","1","","Franco Machado, João; Sá, Marco; Pires, Inês; da Silva, Miguel Tarita; Marques, Fernanda; Coelho, Jaime A. S.; Mendes, Filipa; Piedade, M Fátima M; Machuqueiro, Miguel; Jiménez, María Angeles; Garcia, Maria Helena; Correia, João D G; Morais, Tânia S","Dual FGFR-targeting and pH-activatable ruthenium-peptide conjugates for targeted therapy of breast cancer.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7682","7693","10.1039/d4dt00497c","","","0.71073","MoKα","","0.0501","0.0358","","","0.0859","0.093","","","","","","1.009","","","","has coordinates,has disorder","293103","2024-07-05","16:39:55",""
"7715567","12.793","0.002","14.351","0.002","18.673","0.003","90","","105.872","0.005","90","","3297.5","0.9","298","2","298","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 Cl0 F3 N2 O4 P Ru S -","- C36 H30 F3 N2 O4 P Ru S -","- C144 H120 F12 N8 O16 P4 Ru4 S4 -","4","1","","Franco Machado, João; Sá, Marco; Pires, Inês; da Silva, Miguel Tarita; Marques, Fernanda; Coelho, Jaime A. S.; Mendes, Filipa; Piedade, M Fátima M; Machuqueiro, Miguel; Jiménez, María Angeles; Garcia, Maria Helena; Correia, João D G; Morais, Tânia S","Dual FGFR-targeting and pH-activatable ruthenium-peptide conjugates for targeted therapy of breast cancer.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7682","7693","10.1039/d4dt00497c","","","0.71073","MoKα","","0.0772","0.0507","","","0.1274","0.1553","","","","","","1.134","","","","has coordinates","293103","2024-07-05","16:39:55",""
"7715568","28.108","0.009","15.854","0.005","25.997","0.008","90","","104.516","0.004","90","","11215","6","175","0.1","175","0.1","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C9.45 H79.91 Cu3 K3 N9.45 Na Nb19 O81.54 Te2 -","- C9.44 H79.88 Cu3 K3 N9.44 Na Nb19 O81.56 Te2 -","- C37.76 H319.52 Cu12 K12 N37.76 Na4 Nb76 O326.24 Te8 -","4","0.5","","Wu, Ping-Xin; Han, Yue; Lin, Yu-Jin; Sun, Yan-Qiong; Zheng, Shou-Tian","A 3D heteropolyoxoniobate framework based on heart-shaped {Te<sub>2</sub>Nb<sub>19</sub>O<sub>60</sub>} clusters with proton conductivity property.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7424","7429","10.1039/d4dt00386a","","","0.71073","MoKα","","0.0717","0.063","","","0.1675","0.1735","","","","","","1.036","","","","has coordinates,has disorder","291613","2024-05-05","02:41:37",""
"7715569","12.2702","0.0002","13.7088","0.0003","17.3126","0.0003","90","","91.439","0.002","90","","2911.23","0.09","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H90 Co6 N6 O18 -","- C48 H90 Co6 N6 O18 -","- C96 H180 Co12 N12 O36 -","2","0.5","","Terlecki, Michał; Kornowicz, Arkadiusz; Sacharczuk, Kornel; Justyniak, Iwona; Lewiński, Janusz","Synthesis, polymorphism, and shape complementarity-induced co-crystallization of hexanuclear Co(II) clusters capped by a flexible heteroligand shell.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7012","7022","10.1039/d4dt00261j","","","0.71073","MoKα","","0.0436","0.0366","","","0.0831","0.0861","","","","","","1.082","","","","has coordinates,has disorder","291634","2024-05-05","02:56:23",""
"7715570","11.406","0.0004","11.622","0.0004","21.838","0.0008","90","","104.348","0.002","90","","2804.56","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H86 Co6 N6 O16 -","- C44 H86 Co6 N6 O16 -","- C88 H172 Co12 N12 O32 -","2","0.5","","Terlecki, Michał; Kornowicz, Arkadiusz; Sacharczuk, Kornel; Justyniak, Iwona; Lewiński, Janusz","Synthesis, polymorphism, and shape complementarity-induced co-crystallization of hexanuclear Co(II) clusters capped by a flexible heteroligand shell.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7012","7022","10.1039/d4dt00261j","","","0.71073","MoKα","","0.0434","0.0367","","","0.0794","0.0823","","","","","","1.103","","","","has coordinates","291634","2024-05-05","02:56:27",""
"7715571","14.2057","0.0004","12.0883","0.0004","16.453","0.0007","90","","93.26","0.003","90","","2820.78","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H86 Co6 N6 O16 -","- C44 H86 Co6 N6 O16 -","- C88 H172 Co12 N12 O32 -","2","0.5","","Terlecki, Michał; Kornowicz, Arkadiusz; Sacharczuk, Kornel; Justyniak, Iwona; Lewiński, Janusz","Synthesis, polymorphism, and shape complementarity-induced co-crystallization of hexanuclear Co(II) clusters capped by a flexible heteroligand shell.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7012","7022","10.1039/d4dt00261j","","","0.71073","MoKα","","0.0585","0.0425","","","0.1003","0.113","","","","","","1.109","","","","has coordinates","291634","2024-05-05","02:56:27",""
"7715572","12.6327","0.0003","15.366","0.0003","27.9274","0.0005","90","","90","","90","","5421.1","0.19","100","","100.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C44 H86 Co6 N6 O16 -","- C44 H86 Co6 N6 O16 -","- C176 H344 Co24 N24 O64 -","4","1","","Terlecki, Michał; Kornowicz, Arkadiusz; Sacharczuk, Kornel; Justyniak, Iwona; Lewiński, Janusz","Synthesis, polymorphism, and shape complementarity-induced co-crystallization of hexanuclear Co(II) clusters capped by a flexible heteroligand shell.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7012","7022","10.1039/d4dt00261j","","","0.71073","MoKα","","0.0539","0.0427","","","0.0862","0.094","","","","","","1.045","","","","has coordinates","291634","2024-05-05","02:56:27",""
"7715573","10.1181","0.0004","16.2501","0.0006","17.1906","0.0007","93.061","0.003","91.191","0.003","91.462","0.003","2820.83","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H176 Co12 N12 O34 -","- C92 H176 Co12 N12 O34 -","- C92 H176 Co12 N12 O34 -","1","0.5","","Terlecki, Michał; Kornowicz, Arkadiusz; Sacharczuk, Kornel; Justyniak, Iwona; Lewiński, Janusz","Synthesis, polymorphism, and shape complementarity-induced co-crystallization of hexanuclear Co(II) clusters capped by a flexible heteroligand shell.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7012","7022","10.1039/d4dt00261j","","","0.71073","MoKα","","0.0406","0.0321","","","0.0682","0.0736","","","","","","1.04","","","","has coordinates,has disorder","291634","2024-05-05","02:56:27",""
"7715574","7.7896","0.0005","9.5538","0.0005","13.4786","0.0008","70.205","0.003","75.54","0.003","66.973","0.003","860.61","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 F2 N2 O2 Sn -","- C20 H16 F2 N2 O2 Sn -","- C40 H32 F4 N4 O4 Sn2 -","2","1","","Wu, Andrew; Hillesheim, Patrick C.; Nelson, Peter N.; Zeller, Matthias; Carignan, Gia; Li, Jing; Ki, Daniel W.","New type of tin(IV) complex based turn-on fluorescent chemosensor for fluoride ion recognition: elucidating the effect of molecular structure on sensing property.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6932","6940","10.1039/d4dt00461b","","","0.71073","MoKα","","0.0397","0.0304","","","0.0649","0.0676","","","","","","1.065","","","","has coordinates","291624","2024-05-05","02:49:43",""
"7715575","13.7385","0.0004","8.5689","0.0003","15.9194","0.0005","90","","107.426","0.001","90","","1788.08","0.1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl0.67 F1.33 N2 O2 Sn -","- C20 H16 Cl0.674 F1.326 N2 O2 Sn -","- C80 H64 Cl2.696 F5.304 N8 O8 Sn4 -","4","1","","Wu, Andrew; Hillesheim, Patrick C.; Nelson, Peter N.; Zeller, Matthias; Carignan, Gia; Li, Jing; Ki, Daniel W.","New type of tin(IV) complex based turn-on fluorescent chemosensor for fluoride ion recognition: elucidating the effect of molecular structure on sensing property.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6932","6940","10.1039/d4dt00461b","","","1.54178","CuKα","","0.0442","0.0414","","","0.0894","0.0909","","","","","","1.201","","","","has coordinates,has disorder","291624","2024-05-05","02:49:49",""
"7715576","9.8803","0.0002","23.0698","0.0003","10.6992","0.0003","90","","115.988","0.003","90","","2192.15","0.1","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22.83 H23.65 B Cl1.65 N3 -","- C22.824 H23.648 B Cl1.648 N3 -","- C91.296 H94.592 B4 Cl6.592 N12 -","4","1","","Ževart, Tisa; Pinter, Balazs; Lozinšek, Matic; Urankar, Damijana; Jansen-van Vuuren, Ross D; Košmrlj, Janez","Towards structurally versatile mesoionic N-heterocyclic olefin ligands and their coordination to palladium, gold, and boron hydride.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","8915","8925","10.1039/d4dt00195h","","x-ray","1.54184","CuKα","","0.0461","0.0429","","","0.1161","0.1192","","","","","","1.055","","","","has coordinates,has disorder","293145","2024-07-05","16:59:28",""
"7715577","18.7815","0.0003","12.9118","0.0002","23.7001","0.0004","90","","101.414","0.0016","90","","5633.69","0.16","100","0.1","100","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C51 H54 B2 Cl5 D F8 N6 P2 Pd -","- C51 H54 B2 Cl5 D F8 N6 P2 Pd -","- C204 H216 B8 Cl20 D4 F32 N24 P8 Pd4 -","4","1","","Ževart, Tisa; Pinter, Balazs; Lozinšek, Matic; Urankar, Damijana; Jansen-van Vuuren, Ross D; Košmrlj, Janez","Towards structurally versatile mesoionic N-heterocyclic olefin ligands and their coordination to palladium, gold, and boron hydride.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","8915","8925","10.1039/d4dt00195h","","x-ray","1.54184","CuKα","","0.1056","0.0987","","","0.2641","0.2717","","","","","","1.06","","","","has coordinates","293145","2024-07-05","16:59:28",""
"7715578","11.1518","0.0006","8.1187","0.0004","17.1581","0.001","90","","90","","90","","1553.46","0.15","101","2","101","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- Ce F I5 O15 Rb2 -","- Ce F I5 O15 Rb2 -","- Ce4 F4 I20 O60 Rb8 -","4","0.5","","Grigorieva, Oksana P.; Shatalova, Tatiana B.; Kuznetsov, Alexey N.; Berdonosov, Peter S.; Stefanovich, Sergey Yu; Lyssenko, Konstantin A.; Dolgikh, Valery A.","New iodate fluoride Rb<sub>2</sub>Ce(IO<sub>3</sub>)<sub>5</sub>F with nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7367","7375","10.1039/d4dt00431k","","","0.71073","MoKα","","0.0415","0.0391","","","0.0866","0.0896","","","","","","0.97","","","","has coordinates","291618","2024-05-05","02:44:57",""
"7715579","16.67","0.002","16.67","0.002","53.676","0.011","90","","90","","120","","12918","3","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C84 H120 Mn3 N6 O12 -","- C84 H120 Mn3 N6 O12 -","- C504 H720 Mn18 N36 O72 -","6","0.166667","","Shcherbakov, Igor N.; Krotkii, Ilya I.; Kazachkova, Victoria I.; Lyubchenko, Sergey N.; Efimov, Nikolay N.; Tsaturyan, Arshak A.; Lazarenko, Vladimir A.","Field induced slow magnetic relaxation in a linear homotrinuclear manganese heterospin coordination compound with <i>S</i> = 7/2 ground state and intriguing spin density distribution.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6860","6864","10.1039/d3dt04123a","","","0.7527","synchrotron","","0.1212","0.0601","","","0.1312","0.1586","","","","","","1.05","","","","has coordinates","291632","2024-05-05","02:55:11",""
"7715580","9.528","0.002","20.445","0.005","17.796","0.005","90","","98.843","0.003","90","","3425.5","1.5","193","2","193.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H59 B Li O P Si -","- C33 H59 B Li O P Si -","- C132 H236 B4 Li4 O4 P4 Si4 -","4","1","","Muralidharan, Abhishek V.; Frenette, Brandon L.; Wicke, Julius; Omaña, Alvaro A; Ferguson, Michael J.; Rivard, Eric","Frustrated Lewis pair adducts of alkynyl-capped tetrelenes.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7206","7212","10.1039/d4dt00795f","","","0.71073","MoKα","","0.1458","0.0875","","","0.2221","0.2581","","","","","","1.057","","","","has coordinates,has disorder","291638","2024-05-05","03:01:15",""
"7715581","11.9583","0.0015","20.414","0.003","16.094","0.002","90","","107.665","0.002","90","","3743.6","0.9","193.15","","193.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H58 B Ge P Si2 -","- C34 H58 B Ge P Si2 -","- C136 H232 B4 Ge4 P4 Si8 -","4","1","","Muralidharan, Abhishek V.; Frenette, Brandon L.; Wicke, Julius; Omaña, Alvaro A; Ferguson, Michael J.; Rivard, Eric","Frustrated Lewis pair adducts of alkynyl-capped tetrelenes.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7206","7212","10.1039/d4dt00795f","","","0.71073","MoKα","","0.0773","0.0446","","","0.0961","0.1117","","","","","","1.022","","","","has coordinates","291638","2024-05-05","03:01:17",""
"7715582","11.7526","0.0012","19.307","0.002","16.8909","0.0017","90","","105.096","0.0017","90","","3700.4","0.7","193.15","","193.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H58 B P Si3 -","- C34 H58 B P Si3 -","- C136 H232 B4 P4 Si12 -","4","1","","Muralidharan, Abhishek V.; Frenette, Brandon L.; Wicke, Julius; Omaña, Alvaro A; Ferguson, Michael J.; Rivard, Eric","Frustrated Lewis pair adducts of alkynyl-capped tetrelenes.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7206","7212","10.1039/d4dt00795f","","","0.71073","MoKα","","0.0556","0.0433","","","0.1149","0.126","","","","","","1.037","","","","has coordinates,has disorder","291638","2024-05-05","03:01:17",""
"7715583","3.99374","0.00019","5.8217","0.0003","5.8647","0.0002","90","","90","","90","","136.356","0.011","294","2","294","2","","","","","","","","3","A m m 2","A 2 -2","38","","RbNbO3","","- Nb O3 Rb -","- Nb O3 Rb -","- Nb2 O6 Rb2 -","2","0.25","","Yamamoto, Ayako; Murase, Kimitoshi; Sato, Takeru; Sugiyama, Kazumasa; Kawamata, Toru; Inaguma, Yoshiyuki; Yamaura, Jun-Ichi; Shitara, Kazuki; Yokoi, Rie; Moriwake, Hiroki","Crystal structure and properties of perovskite-type rubidium niobate, a high-pressure phase of RbNbO<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7044","7052","10.1039/d4dt00190g","","","0.71073","MoKα","","0.0167","0.0158","","","0.0366","0.0368","","","","","","1.031","","","","has coordinates","291635","2024-05-05","02:56:57",""
"7715584","21.419","0.002","8.3049","0.0004","7.3363","0.0004","90","","90.149","0.006","90","","1305","0.15","100.2","0.8","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tz2PbCl4","","- C4 H8 Cl4 N6 Pb -","- C4 H8 Cl4 N6 Pb -","- C16 H32 Cl16 N24 Pb4 -","4","1","","Mączka, Mirosław; Sobczak, Szymon; Ptak, Maciej; Smółka, Szymon; Fedoruk, Katarzyna; Dybała, Filip; Herman, Artur P.; Paraguassu, Waldeci; Zaręba, Jan K; Kudrawiec, Robert; Sieradzki, Adam; Katrusiak, Andrzej","Revisiting a (001)-oriented layered lead chloride templated by 1,2,4-triazolium: structural phase transitions, lattice dynamics and broadband photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6906","6919","10.1039/d4dt00406j","","","0.71073","MoKα","","0.0784","0.0641","","","0.1213","0.1297","","","","","","1.239","","","","has coordinates","291625","2024-05-05","02:50:24",""
"7715585","21.4424","0.0018","8.2994","0.0003","7.4252","0.0004","90","","90.093","0.005","90","","1321.38","0.14","199.99","0.1","200.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tz2PbCl4","","- C4 H8 Cl4 N6 Pb -","- C4 H8 Cl4 N6 Pb -","- C16 H32 Cl16 N24 Pb4 -","4","1","","Mączka, Mirosław; Sobczak, Szymon; Ptak, Maciej; Smółka, Szymon; Fedoruk, Katarzyna; Dybała, Filip; Herman, Artur P.; Paraguassu, Waldeci; Zaręba, Jan K; Kudrawiec, Robert; Sieradzki, Adam; Katrusiak, Andrzej","Revisiting a (001)-oriented layered lead chloride templated by 1,2,4-triazolium: structural phase transitions, lattice dynamics and broadband photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6906","6919","10.1039/d4dt00406j","","","0.71073","MoKα","","0.0576","0.0419","","","0.0903","0.098","","","","","","1.155","","","","has coordinates","291625","2024-05-05","02:50:28",""
"7715586","21.429","0.002","8.3075","0.0004","7.3768","0.0004","90","","90.111","0.006","90","","1313.23","0.16","149.95","0.1","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tz2PbCl4","","- C4 H8 Cl4 N6 Pb -","- C4 H8 Cl4 N6 Pb -","- C16 H32 Cl16 N24 Pb4 -","4","1","","Mączka, Mirosław; Sobczak, Szymon; Ptak, Maciej; Smółka, Szymon; Fedoruk, Katarzyna; Dybała, Filip; Herman, Artur P.; Paraguassu, Waldeci; Zaręba, Jan K; Kudrawiec, Robert; Sieradzki, Adam; Katrusiak, Andrzej","Revisiting a (001)-oriented layered lead chloride templated by 1,2,4-triazolium: structural phase transitions, lattice dynamics and broadband photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6906","6919","10.1039/d4dt00406j","","","0.71073","MoKα","","0.0713","0.0561","","","0.1165","0.1259","","","","","","1.231","","","","has coordinates","291625","2024-05-05","02:50:28",""
"7715587","21.423","0.002","8.3075","0.0004","7.3587","0.0004","90","","90.112","0.006","90","","1309.64","0.15","130.01","0.11","130.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tz2PbCl4","","- C4 H8 Cl4 N6 Pb -","- C4 H8 Cl4 N6 Pb -","- C16 H32 Cl16 N24 Pb4 -","4","1","","Mączka, Mirosław; Sobczak, Szymon; Ptak, Maciej; Smółka, Szymon; Fedoruk, Katarzyna; Dybała, Filip; Herman, Artur P.; Paraguassu, Waldeci; Zaręba, Jan K; Kudrawiec, Robert; Sieradzki, Adam; Katrusiak, Andrzej","Revisiting a (001)-oriented layered lead chloride templated by 1,2,4-triazolium: structural phase transitions, lattice dynamics and broadband photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6906","6919","10.1039/d4dt00406j","","","0.71073","MoKα","","0.0734","0.0597","","","0.1189","0.1267","","","","","","1.255","","","","has coordinates","291625","2024-05-05","02:50:28",""
"7715588","7.4798","0.0004","21.5667","0.0013","8.3086","0.0004","90","","90","","90","","1340.3","0.13","280.01","0.1","280.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Tz2PbCl4","","- C2.29 H4.57 Cl2.29 N3.43 Pb0.57 -","- C2.28571 H4.57143 Cl2.28571 N3.42857 Pb0.571429 -","- C16 H32 Cl16 N24 Pb4 -","7","0.875","","Mączka, Mirosław; Sobczak, Szymon; Ptak, Maciej; Smółka, Szymon; Fedoruk, Katarzyna; Dybała, Filip; Herman, Artur P.; Paraguassu, Waldeci; Zaręba, Jan K; Kudrawiec, Robert; Sieradzki, Adam; Katrusiak, Andrzej","Revisiting a (001)-oriented layered lead chloride templated by 1,2,4-triazolium: structural phase transitions, lattice dynamics and broadband photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6906","6919","10.1039/d4dt00406j","","","0.71073","MoKα","","0.0325","0.0244","","","0.0546","0.0575","","","","","","1.133","","","","has coordinates","291625","2024-05-05","02:50:28",""
"7715589","21.4212","0.0018","8.2997","0.0003","7.4042","0.0003","90","","90.02","0.005","90","","1316.39","0.13","180.01","0.1","180.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tz2PbCl4","","- C4 H8 Cl4 N6 Pb -","- C4 H8 Cl4 N6 Pb -","- C16 H32 Cl16 N24 Pb4 -","4","1","","Mączka, Mirosław; Sobczak, Szymon; Ptak, Maciej; Smółka, Szymon; Fedoruk, Katarzyna; Dybała, Filip; Herman, Artur P.; Paraguassu, Waldeci; Zaręba, Jan K; Kudrawiec, Robert; Sieradzki, Adam; Katrusiak, Andrzej","Revisiting a (001)-oriented layered lead chloride templated by 1,2,4-triazolium: structural phase transitions, lattice dynamics and broadband photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6906","6919","10.1039/d4dt00406j","","","0.71073","MoKα","","0.064","0.0484","","","0.1039","0.1126","","","","","","1.192","","","","has coordinates","291625","2024-05-05","02:50:28",""
"7715590","7.4929","0.0003","21.5667","0.001","8.3106","0.0004","90","","90","","90","","1342.97","0.1","300","0.1","300.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Tz2PbCl4","","- C4 H8 Cl4 N6 Pb -","- C4 H8 Cl4 N6 Pb -","- C16 H32 Cl16 N24 Pb4 -","4","0.5","","Mączka, Mirosław; Sobczak, Szymon; Ptak, Maciej; Smółka, Szymon; Fedoruk, Katarzyna; Dybała, Filip; Herman, Artur P.; Paraguassu, Waldeci; Zaręba, Jan K; Kudrawiec, Robert; Sieradzki, Adam; Katrusiak, Andrzej","Revisiting a (001)-oriented layered lead chloride templated by 1,2,4-triazolium: structural phase transitions, lattice dynamics and broadband photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6906","6919","10.1039/d4dt00406j","","","0.71073","MoKα","","0.0381","0.0275","","","0.0608","0.0656","","","","","","1.114","","","","has coordinates","291625","2024-05-05","02:50:28",""
"7715591","7.5195","0.0002","21.5921","0.0007","8.302","0.0002","90","","90","","90","","1347.93","0.07","320.01","0.1","320.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Tz2PbCl4","","- C4 H8 Cl4 N6 Pb -","- C4 H8 Cl4 N6 Pb -","- C16 H32 Cl16 N24 Pb4 -","4","0.5","","Mączka, Mirosław; Sobczak, Szymon; Ptak, Maciej; Smółka, Szymon; Fedoruk, Katarzyna; Dybała, Filip; Herman, Artur P.; Paraguassu, Waldeci; Zaręba, Jan K; Kudrawiec, Robert; Sieradzki, Adam; Katrusiak, Andrzej","Revisiting a (001)-oriented layered lead chloride templated by 1,2,4-triazolium: structural phase transitions, lattice dynamics and broadband photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6906","6919","10.1039/d4dt00406j","","","0.71073","MoKα","","0.0496","0.0266","","","0.0462","0.0515","","","","","","1.118","","","","has coordinates","291625","2024-05-05","02:50:28",""
"7715592","8.2929","0.0002","7.5535","0.0002","21.7496","0.0007","90","","90","","90","","1362.4","0.07","360.01","0.1","360.15","","","","","","","","","5","C m c m","-C 2c 2","63","","Tz2PbCl4","","- C4 H8 Cl4 N6 Pb -","- C4 H8 Cl4 N6 Pb -","- C16 H32 Cl16 N24 Pb4 -","4","0.25","","Mączka, Mirosław; Sobczak, Szymon; Ptak, Maciej; Smółka, Szymon; Fedoruk, Katarzyna; Dybała, Filip; Herman, Artur P.; Paraguassu, Waldeci; Zaręba, Jan K; Kudrawiec, Robert; Sieradzki, Adam; Katrusiak, Andrzej","Revisiting a (001)-oriented layered lead chloride templated by 1,2,4-triazolium: structural phase transitions, lattice dynamics and broadband photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6906","6919","10.1039/d4dt00406j","","","0.71073","MoKα","","0.0369","0.0233","","","0.0459","0.0502","","","","","","1.131","","","","has coordinates,has disorder","291625","2024-05-05","02:50:29",""
"7715593","8.2959","0.0015","7.4918","0.0015","21.829","0.006","90","","90","","90","","1356.7","0.5","340","0.1","340.15","","","","","","","","","5","C m c m","-C 2c 2","63","","Tz2PbCl4","","- C4 H8 Cl4 N6 Pb -","- C4 H8 Cl4 N6 Pb -","- C16 H32 Cl16 N24 Pb4 -","4","0.25","","Mączka, Mirosław; Sobczak, Szymon; Ptak, Maciej; Smółka, Szymon; Fedoruk, Katarzyna; Dybała, Filip; Herman, Artur P.; Paraguassu, Waldeci; Zaręba, Jan K; Kudrawiec, Robert; Sieradzki, Adam; Katrusiak, Andrzej","Revisiting a (001)-oriented layered lead chloride templated by 1,2,4-triazolium: structural phase transitions, lattice dynamics and broadband photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6906","6919","10.1039/d4dt00406j","","","0.71073","MoKα","","0.0429","0.0343","","","0.0831","0.0913","","","","","","1.151","","","","has coordinates,has disorder","291625","2024-05-05","02:50:29",""
"7715594","7.5639","0.0002","8.2984","0.0002","21.7768","0.0007","90","","90","","90","","1366.89","0.07","370","0.1","370.15","","","","","","","","","5","F m m m","-F 2 2","69","","","","- C4 H8 Cl4 N6 Pb -","- C4 H8 Cl4 N6 Pb -","- C16 H32 Cl16 N24 Pb4 -","4","0.125","","Mączka, Mirosław; Sobczak, Szymon; Ptak, Maciej; Smółka, Szymon; Fedoruk, Katarzyna; Dybała, Filip; Herman, Artur P.; Paraguassu, Waldeci; Zaręba, Jan K; Kudrawiec, Robert; Sieradzki, Adam; Katrusiak, Andrzej","Revisiting a (001)-oriented layered lead chloride templated by 1,2,4-triazolium: structural phase transitions, lattice dynamics and broadband photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6906","6919","10.1039/d4dt00406j","","","0.71073","MoKα","","0.0219","0.0219","","","0.0466","0.0466","","","","","","1.085","","","","has coordinates,has disorder","291625","2024-05-05","02:50:29",""
"7715595","7.6009","0.0007","8.3017","0.0006","21.798","0.002","90","","90","","90","","1375.5","0.2","390.01","0.1","390.15","","","","","","","","","5","F m m m","-F 2 2","69","","(TzH)2PbCl4","","- C4 H8 Cl4 N6 Pb -","- C4 H8 Cl4 N6 Pb -","- C16 H32 Cl16 N24 Pb4 -","4","0.125","","Mączka, Mirosław; Sobczak, Szymon; Ptak, Maciej; Smółka, Szymon; Fedoruk, Katarzyna; Dybała, Filip; Herman, Artur P.; Paraguassu, Waldeci; Zaręba, Jan K; Kudrawiec, Robert; Sieradzki, Adam; Katrusiak, Andrzej","Revisiting a (001)-oriented layered lead chloride templated by 1,2,4-triazolium: structural phase transitions, lattice dynamics and broadband photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6906","6919","10.1039/d4dt00406j","","","0.71073","MoKα","","0.0252","0.0251","","","0.0524","0.0525","","","","","","1.038","","","","has coordinates,has disorder","291625","2024-05-05","02:50:29",""
"7715596","21.4831","0.0012","8.3057","0.0003","7.4695","0.0003","90","","90.036","0.004","90","","1332.8","0.1","249.99","0.1","250.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tz2PbCl4","","- C4 H8 Cl4 N6 Pb -","- C4 H8 Cl4 N6 Pb -","- C16 H32 Cl16 N24 Pb4 -","4","1","","Mączka, Mirosław; Sobczak, Szymon; Ptak, Maciej; Smółka, Szymon; Fedoruk, Katarzyna; Dybała, Filip; Herman, Artur P.; Paraguassu, Waldeci; Zaręba, Jan K; Kudrawiec, Robert; Sieradzki, Adam; Katrusiak, Andrzej","Revisiting a (001)-oriented layered lead chloride templated by 1,2,4-triazolium: structural phase transitions, lattice dynamics and broadband photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6906","6919","10.1039/d4dt00406j","","","0.71073","MoKα","","0.05","0.0354","","","0.0849","0.0906","","","","","","1.251","","","","has coordinates","291625","2024-05-05","02:50:29",""
"7715597","21.4566","0.0015","8.3029","0.0003","7.4446","0.0003","90","","90.036","0.004","90","","1326.27","0.12","220","0.1","220.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tz2PbCl4","","- C4 H8 Cl4 N6 Pb -","- C4 H8 Cl4 N6 Pb -","- C16 H32 Cl16 N24 Pb4 -","4","1","","Mączka, Mirosław; Sobczak, Szymon; Ptak, Maciej; Smółka, Szymon; Fedoruk, Katarzyna; Dybała, Filip; Herman, Artur P.; Paraguassu, Waldeci; Zaręba, Jan K; Kudrawiec, Robert; Sieradzki, Adam; Katrusiak, Andrzej","Revisiting a (001)-oriented layered lead chloride templated by 1,2,4-triazolium: structural phase transitions, lattice dynamics and broadband photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6906","6919","10.1039/d4dt00406j","","","0.71073","MoKα","","0.0555","0.0402","","","0.0852","0.0931","","","","","","1.11","","","","has coordinates","291625","2024-05-05","02:50:29",""
"7715598","26.7335","0.0016","17.2618","0.0016","23.2287","0.0019","90","","120.956","0.004","90","","9192.5","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[Zn(L*)2]","","- C52 H54 N6 O4 Zn -","- C52 H54 N6 O4 Zn -","- C416 H432 N48 O32 Zn8 -","8","1","","Mukhopadhyay, Narottam; Sengupta, Arunava; Lloret, Francesc; Mukherjee, Rabindranath","Phenoxazinyl Zn(II) diradical complex formed <i>via</i> redox-driven cyclization of a 2-aminophenol-based N<sub>3</sub>O ligand. Isolation of the modified N<sub>3</sub> ligand radical and its Ni(II) complex.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6515","6519","10.1039/d4dt00374h","","x-ray","0.71073","MoKα","","0.0606","0.0381","","","0.0812","0.0952","","","","","","1.069","","","","has coordinates","291647","2024-05-05","03:06:39",""
"7715599","26.392","0.003","17.272","0.003","23.289","0.003","90","","120.049","0.007","90","","9189","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[Ni(L*)2]","","- C52 H54 N6 Ni O4 -","- C52 H54 N6 Ni O4 -","- C416 H432 N48 Ni8 O32 -","8","1","","Mukhopadhyay, Narottam; Sengupta, Arunava; Lloret, Francesc; Mukherjee, Rabindranath","Phenoxazinyl Zn(II) diradical complex formed <i>via</i> redox-driven cyclization of a 2-aminophenol-based N<sub>3</sub>O ligand. Isolation of the modified N<sub>3</sub> ligand radical and its Ni(II) complex.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6515","6519","10.1039/d4dt00374h","","","0.71073","MoKα","","0.062","0.0383","","","0.0834","0.098","","","","","","1.055","","","","has coordinates","291647","2024-05-05","03:06:44",""
"7715600","16.147","0.003","20.413","0.003","20.582","0.004","65.842","0.003","89.812","0.005","81.287","0.004","6105.5","1.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","[H2L*]SBF6","","- C26.75 H30.5 Cl1.5 F6 N3 O2 Sb -","- C26.75 H30.5 Cl1.5 F6 N3 O2 Sb -","- C214 H244 Cl12 F48 N24 O16 Sb8 -","8","4","","Mukhopadhyay, Narottam; Sengupta, Arunava; Lloret, Francesc; Mukherjee, Rabindranath","Phenoxazinyl Zn(II) diradical complex formed <i>via</i> redox-driven cyclization of a 2-aminophenol-based N<sub>3</sub>O ligand. Isolation of the modified N<sub>3</sub> ligand radical and its Ni(II) complex.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6515","6519","10.1039/d4dt00374h","","x-ray","0.71073","MoKα","","0.1138","0.0857","","","0.2164","0.2374","","","","","","1.05","","","","has coordinates,has disorder","291647","2024-05-05","03:06:44",""
"7715601","30.4282","0.0003","8.114","0.0001","15.997","0.0001","90","","98.458","0.001","90","","3906.61","0.07","100","0.1","100","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H28 N Nb O5 -","- C18 H28 N Nb O5 -","- C144 H224 N8 Nb8 O40 -","8","2","","Peprah, Frank; Tarantola, Grace E.; Plaman, Alyson S.; Vu, Emily L.; Huynh, Alyssa B.; Durr, Christopher B.","Synthesis and catalytic activity of single-site group V alkoxide complexes for the ring-opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7073","7080","10.1039/d4dt00422a","","x-ray","1.54184","CuKα","","0.0293","0.0286","","","0.0735","0.0741","","","","","","1.06","","","","has coordinates","291629","2024-05-05","02:52:52",""
"7715602","15.1854","0.0002","7.6946","0.0001","16.3573","0.0002","90","","95.785","0.001","90","","1901.54","0.04","110.5","0.9","110.5","0.9","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 Cl N O5 Ta -","- C19 H19 Cl N O5 Ta -","- C76 H76 Cl4 N4 O20 Ta4 -","4","1","","Peprah, Frank; Tarantola, Grace E.; Plaman, Alyson S.; Vu, Emily L.; Huynh, Alyssa B.; Durr, Christopher B.","Synthesis and catalytic activity of single-site group V alkoxide complexes for the ring-opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7073","7080","10.1039/d4dt00422a","","x-ray","1.54184","CuKα","","0.0186","0.0167","","","0.0389","0.0395","","","","","","1.05","","","","has coordinates","291629","2024-05-05","02:52:58",""
"7715603","30.4758","0.0004","8.1159","0.0001","16.006","0.0003","90","","98.429","0.001","90","","3916.14","0.1","100","0.1","100","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H28 N O5 Ta -","- C18 H28 N O5 Ta -","- C144 H224 N8 O40 Ta8 -","8","2","","Peprah, Frank; Tarantola, Grace E.; Plaman, Alyson S.; Vu, Emily L.; Huynh, Alyssa B.; Durr, Christopher B.","Synthesis and catalytic activity of single-site group V alkoxide complexes for the ring-opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7073","7080","10.1039/d4dt00422a","","x-ray","1.54184","CuKα","","0.0348","0.0325","","","0.0831","0.0852","","","","","","1.107","","","","has coordinates","291629","2024-05-05","02:52:58",""
"7715604","13.4876","0.0002","13.0436","0.0002","22.1841","0.0003","90","","94.066","0.001","90","","3892.96","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 Cl N Nb O5 -","- C17 H25 Cl N Nb O5 -","- C136 H200 Cl8 N8 Nb8 O40 -","8","2","","Peprah, Frank; Tarantola, Grace E.; Plaman, Alyson S.; Vu, Emily L.; Huynh, Alyssa B.; Durr, Christopher B.","Synthesis and catalytic activity of single-site group V alkoxide complexes for the ring-opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7073","7080","10.1039/d4dt00422a","","x-ray","1.54184","CuKα","","0.0348","0.0298","","","0.0776","0.0804","","","","","","1.075","","","","has coordinates","291629","2024-05-05","02:52:58",""
"7715605","20.5797","0.0004","7.4688","0.0002","31.9583","0.0009","90","","108.275","0.003","90","","4664.4","0.2","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C24 H30 N Nb O5 -","- C24 H30 N Nb O5 -","- C192 H240 N8 Nb8 O40 -","8","1","","Peprah, Frank; Tarantola, Grace E.; Plaman, Alyson S.; Vu, Emily L.; Huynh, Alyssa B.; Durr, Christopher B.","Synthesis and catalytic activity of single-site group V alkoxide complexes for the ring-opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7073","7080","10.1039/d4dt00422a","","x-ray","1.54184","CuKα","","0.0799","0.0631","","","0.1602","0.1723","","","","","","1.01","","","","has coordinates","291629","2024-05-05","02:52:58",""
"7715606","15.1648","0.0002","7.7301","0.0001","16.3269","0.0002","90","","95.783","0.001","90","","1904.19","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N O5 Ta -","- C20 H22 N O5 Ta -","- C80 H88 N4 O20 Ta4 -","4","1","","Peprah, Frank; Tarantola, Grace E.; Plaman, Alyson S.; Vu, Emily L.; Huynh, Alyssa B.; Durr, Christopher B.","Synthesis and catalytic activity of single-site group V alkoxide complexes for the ring-opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7073","7080","10.1039/d4dt00422a","","x-ray","1.54184","CuKα","","0.022","0.0206","","","0.0491","0.0499","","","","","","1.06","","","","has coordinates","291629","2024-05-05","02:52:58",""
"7715607","7.93594","0.00017","11.4858","0.0002","12.4086","0.0002","115.75","0.0018","90.3226","0.0017","91.8519","0.0016","1017.96","0.04","120","0.16","120","0.16","","","","","","","","6","P -1","-P 1","2","","","","- C20 H21 Cl N Nb O6 -","- C20 H21 Cl N Nb O6 -","- C40 H42 Cl2 N2 Nb2 O12 -","2","1","","Peprah, Frank; Tarantola, Grace E.; Plaman, Alyson S.; Vu, Emily L.; Huynh, Alyssa B.; Durr, Christopher B.","Synthesis and catalytic activity of single-site group V alkoxide complexes for the ring-opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7073","7080","10.1039/d4dt00422a","","x-ray","1.54184","CuKα","","0.0371","0.034","","","0.0909","0.0928","","","","","","1.054","","","","has coordinates","291629","2024-05-05","02:52:58",""
"7715608","13.5019","0.0001","13.0675","0.0002","22.1817","0.0002","90","","94.028","0.001","90","","3903.98","0.08","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 Cl N O5 Ta -","- C17 H25 Cl N O5 Ta -","- C136 H200 Cl8 N8 O40 Ta8 -","8","2","","Peprah, Frank; Tarantola, Grace E.; Plaman, Alyson S.; Vu, Emily L.; Huynh, Alyssa B.; Durr, Christopher B.","Synthesis and catalytic activity of single-site group V alkoxide complexes for the ring-opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7073","7080","10.1039/d4dt00422a","","x-ray","1.54184","CuKα","","0.0252","0.0213","","","0.0525","0.0541","","","","","","1.038","","","","has coordinates","291629","2024-05-05","02:52:58",""
"7715609","22.5655","0.001","26.8138","0.001","17.7992","0.0007","90","","125.705","0.003","90","","8745.4","0.7","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C88.67 H82.33 Co2 F18 N18 O3.75 P2 Si -","- C88.6592 H82.3408 Co2 F18 N18 O3.7556 P2 Si -","- C354.637 H329.363 Co8 F72 N72 O15.0224 P8 Si4 -","4","1","","Barrios, Leoní A; Capó, Nuria; Boulehjour, Hanae; Reta, Daniel; Tejedor, Inés; Roubeau, Olivier; Aromí, Guillem","Modulated spin dynamics of [Co<sub>2</sub>] coordination helicates <i>via</i> differential strand composition.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7611","7618","10.1039/d4dt00629a","","","0.7288","synchrotron","","0.0482","0.045","","","0.1251","0.1281","","","","","","1.037","","","","has coordinates,has disorder","291603","2024-05-05","02:33:33",""
"7715610","22.9697","0.0011","18.0372","0.001","27.1574","0.0012","90","","94.966","0.002","90","","11209.3","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C101 H117 Cl4 Co2 N18 O27.5 -","- C101 H101 Cl4 Co2 N18 O27.5 -","- C404 H404 Cl16 Co8 N72 O110 -","4","1","","Barrios, Leoní A; Capó, Nuria; Boulehjour, Hanae; Reta, Daniel; Tejedor, Inés; Roubeau, Olivier; Aromí, Guillem","Modulated spin dynamics of [Co<sub>2</sub>] coordination helicates <i>via</i> differential strand composition.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7611","7618","10.1039/d4dt00629a","","","0.71073","MoKα","","0.1324","0.0935","","","0.2502","0.2801","","","","","","1.038","","","","has coordinates,has disorder","291603","2024-05-05","02:33:49",""
"7715611","9.0686","0.0007","29.208","0.002","16.0218","0.0012","90","","103.966","0.002","90","","4118.3","0.5","301","","301","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30.5 H31 Cl Co F12 N12 O2 Sb2 -","- C30.5 H31 Cl Co F12 N12 O2 Sb2 -","- C122 H124 Cl4 Co4 F48 N48 O8 Sb8 -","4","1","","Brook, David J. R.; DaRos, Jeffrey; Ponnekanti, Aamani; Agrestini, Stefano; Pellegrin, Eric","Spectroscopic and thermodynamic characterization of a cobalt-verdazyl valence tautomeric system. influence of crystal structure, solvent and counterion.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7536","7545","10.1039/d4dt00465e","","x-ray","0.71073","MoKα","","0.0878","0.0776","","","0.1649","0.1701","","","","","","1.178","","","","has coordinates,has disorder","291602","2024-05-05","02:32:44",""
"7715612","9.1759","0.001","28.242","0.003","15.6923","0.0016","90","","103.842","0.002","90","","3948.5","0.7","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30.5 H31 Cl Co F12 N12 O2 Sb2 -","- C30.5 H31 Cl Co F12 N12 O2 Sb2 -","- C122 H124 Cl4 Co4 F48 N48 O8 Sb8 -","4","1","","Brook, David J. R.; DaRos, Jeffrey; Ponnekanti, Aamani; Agrestini, Stefano; Pellegrin, Eric","Spectroscopic and thermodynamic characterization of a cobalt-verdazyl valence tautomeric system. influence of crystal structure, solvent and counterion.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7536","7545","10.1039/d4dt00465e","","x-ray","0.71073","MoKα","","0.074","0.0636","","","0.1568","0.1676","","","","","","1.251","","","","has coordinates,has disorder","291602","2024-05-05","02:32:51",""
"7715613","13.0663","0.0016","17.1914","0.0018","29.81","0.007","90","","90","","90","","6696.2","1.9","150","0.1","150.15","","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C30 H30 B2 Co F8 N12 O2 -","- C30 H30 B2 Co F8 N12 O2 -","- C240 H240 B16 Co8 F64 N96 O16 -","8","0.25","","Brook, David J. R.; DaRos, Jeffrey; Ponnekanti, Aamani; Agrestini, Stefano; Pellegrin, Eric","Spectroscopic and thermodynamic characterization of a cobalt-verdazyl valence tautomeric system. influence of crystal structure, solvent and counterion.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7536","7545","10.1039/d4dt00465e","","","0.71073","MoKα","","0.1098","0.0844","","","0.1887","0.2027","","","","","","1.072","","","","has coordinates,has disorder","291602","2024-05-05","02:32:59",""
"7715614","13.1032","0.0008","17.2017","0.001","30.254","0.002","90","","90","","90","","6819.2","0.7","250","0.7","250","0.7","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C30 H30 B2 Co F8 N12 O2 -","- C30 H30 B2 Co F8 N12 O2 -","- C240 H240 B16 Co8 F64 N96 O16 -","8","0.25","","Brook, David J. R.; DaRos, Jeffrey; Ponnekanti, Aamani; Agrestini, Stefano; Pellegrin, Eric","Spectroscopic and thermodynamic characterization of a cobalt-verdazyl valence tautomeric system. influence of crystal structure, solvent and counterion.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7536","7545","10.1039/d4dt00465e","","x-ray","0.71073","MoKα","","0.1363","0.0844","","","0.1751","0.1964","","","","","","1.109","","","","has coordinates,has disorder","291602","2024-05-05","02:33:00",""
"7715615","17.0264","0.0003","15.4243","0.0003","20.4521","0.0004","90","","93.879","0.002","90","","5358.83","0.18","123.15","","123.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H33 F18 O8 P2 Tb -","- C51 H33 F18 O8 P2 Tb -","- C204 H132 F72 O32 P8 Tb4 -","4","1","","Inage, Kota; Wang, Mengfei; Hasegawa, Yasuchika; Kitagawa, Yuichi","Effective photosensitized emission of a Tb(III) complex using a β-diketonate photosensitizer and an oxygen barrier system in a thermally populated triplet state.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8555","8562","10.1039/d4dt00286e","","x-ray","0.71073","MoKα","","0.0444","0.04","","","0.0918","0.0937","","","","","","1.041","","","","has coordinates","293087","2024-07-05","16:34:58",""
"7715616","17.8798","0.0006","18.7861","0.0006","17.3285","0.0005","90","","90","","90","","5820.5","0.3","123.15","","123.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C51 H69 F18 Gd O8 P2 -","- C51 H69 F18 Gd O8 P2 -","- C204 H276 F72 Gd4 O32 P8 -","4","1","","Inage, Kota; Wang, Mengfei; Hasegawa, Yasuchika; Kitagawa, Yuichi","Effective photosensitized emission of a Tb(III) complex using a β-diketonate photosensitizer and an oxygen barrier system in a thermally populated triplet state.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8555","8562","10.1039/d4dt00286e","","x-ray","0.71073","MoKα","","0.0526","0.048","","","0.1291","0.1326","","","","","","1.036","","","","has coordinates","293087","2024-07-05","16:34:59",""
"7715617","17.91","0.0006","18.7471","0.0006","17.3371","0.0005","90","","90","","90","","5821.1","0.3","123.15","","123.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C51 H69 F18 O8 P2 Tb -","- C51 H69 F18 O8 P2 Tb -","- C204 H276 F72 O32 P8 Tb4 -","4","1","","Inage, Kota; Wang, Mengfei; Hasegawa, Yasuchika; Kitagawa, Yuichi","Effective photosensitized emission of a Tb(III) complex using a β-diketonate photosensitizer and an oxygen barrier system in a thermally populated triplet state.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8555","8562","10.1039/d4dt00286e","","x-ray","0.71073","MoKα","","0.0887","0.0804","","","0.2243","0.2366","","","","","","1.037","","","","has coordinates","293087","2024-07-05","16:34:59",""
"7715618","17.0506","0.0004","15.4096","0.0003","20.578","0.0005","90","","93.8","0.002","90","","5394.8","0.2","123.15","","123.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H33 F18 Gd O8 P2 -","- C51 H33 F18 Gd O8 P2 -","- C204 H132 F72 Gd4 O32 P8 -","4","1","","Inage, Kota; Wang, Mengfei; Hasegawa, Yasuchika; Kitagawa, Yuichi","Effective photosensitized emission of a Tb(III) complex using a β-diketonate photosensitizer and an oxygen barrier system in a thermally populated triplet state.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8555","8562","10.1039/d4dt00286e","","x-ray","0.71073","MoKα","","0.0401","0.0323","","","0.0759","0.0785","","","","","","1.025","","","","has coordinates","293087","2024-07-05","16:34:59",""
"7715619","26.195","0.0007","6.9648","0.0002","14.6878","0.0004","90","","100.68","0.003","90","","2633.27","0.13","150","0.1","150","0.1","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C22 H16 Fe N14 O5 Pt -","- C22 H16 Fe N14 O5 Pt -","- C88 H64 Fe4 N56 O20 Pt4 -","4","0.5","","Liu, Zhi-Kun; Sun, Ke; Xue, Jin-Peng; Yao, Zi-Shuo; Tao, Jun","Guest water-induced structural transformation and spin-crossover variation of a two-dimensional Hofmann-type compound.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7522","7526","10.1039/d4dt00435c","","","0.71073","MoKα","","0.0524","0.0432","","","0.1112","0.117","","","","","","1.066","","","","has coordinates,has disorder","291619","2024-05-05","02:45:44",""
"7715620","26.6222","0.0008","7.2969","0.0002","15.1034","0.0004","90","","100.271","0.003","90","","2886.96","0.14","280","","280","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C22 H16 Fe N14 O5 Pt -","- C22 H16 Fe N14 O5 Pt -","- C88 H64 Fe4 N56 O20 Pt4 -","4","0.5","","Liu, Zhi-Kun; Sun, Ke; Xue, Jin-Peng; Yao, Zi-Shuo; Tao, Jun","Guest water-induced structural transformation and spin-crossover variation of a two-dimensional Hofmann-type compound.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7522","7526","10.1039/d4dt00435c","","","0.71073","MoKα","","0.0309","0.024","","","0.0612","0.0642","","","","","","1.059","","","","has coordinates,has disorder","291619","2024-05-05","02:45:45",""
"7715621","26.2968","0.0016","7.2061","0.0004","14.9288","0.0009","90","","98.444","0.006","90","","2798.3","0.3","250.01","0.1","250","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C22 H14 Fe N14 O4 Pt -","- C22 H14 Fe N14 O4 Pt -","- C88 H56 Fe4 N56 O16 Pt4 -","4","0.5","","Liu, Zhi-Kun; Sun, Ke; Xue, Jin-Peng; Yao, Zi-Shuo; Tao, Jun","Guest water-induced structural transformation and spin-crossover variation of a two-dimensional Hofmann-type compound.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7522","7526","10.1039/d4dt00435c","","","0.71073","MoKα","","0.0446","0.0352","","","0.0916","0.0989","","","","","","1.076","","","","has coordinates,has disorder","291619","2024-05-05","02:45:46",""
"7715622","26.0552","0.0011","7.0129","0.0002","14.6062","0.0005","90","","99.248","0.004","90","","2634.19","0.16","180","","180","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C22 H14 Fe N14 O4 Pt -","- C22 H14 Fe N14 O4 Pt -","- C88 H56 Fe4 N56 O16 Pt4 -","4","0.5","","Liu, Zhi-Kun; Sun, Ke; Xue, Jin-Peng; Yao, Zi-Shuo; Tao, Jun","Guest water-induced structural transformation and spin-crossover variation of a two-dimensional Hofmann-type compound.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7522","7526","10.1039/d4dt00435c","","","0.71073","MoKα","","0.0452","0.0358","","","0.092","0.1017","","","","","","1.062","","","","has coordinates,has disorder","291619","2024-05-05","02:45:46",""
"7715623","26.4601","0.0009","7.2922","0.0003","15.0392","0.0006","90","","98.267","0.004","90","","2871.7","0.19","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C22 H14 Fe N14 O4 Pt -","- C22 H14 Fe N14 O4 Pt -","- C88 H56 Fe4 N56 O16 Pt4 -","4","0.5","","Liu, Zhi-Kun; Sun, Ke; Xue, Jin-Peng; Yao, Zi-Shuo; Tao, Jun","Guest water-induced structural transformation and spin-crossover variation of a two-dimensional Hofmann-type compound.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7522","7526","10.1039/d4dt00435c","","","0.71073","MoKα","","0.0441","0.0316","","","0.0813","0.0922","","","","","","0.968","","","","has coordinates,has disorder","291619","2024-05-05","02:45:46",""
"7715624","26.2662","0.0009","7.1043","0.0003","14.8621","0.0005","90","","100.455","0.003","90","","2727.27","0.18","240","","240","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C22 H16 Fe N14 O5 Pt -","- C22 H16 Fe N14 O5 Pt -","- C88 H64 Fe4 N56 O20 Pt4 -","4","0.5","","Liu, Zhi-Kun; Sun, Ke; Xue, Jin-Peng; Yao, Zi-Shuo; Tao, Jun","Guest water-induced structural transformation and spin-crossover variation of a two-dimensional Hofmann-type compound.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7522","7526","10.1039/d4dt00435c","","","0.71073","MoKα","","0.0364","0.0302","","","0.0702","0.0726","","","","","","1.086","","","","has coordinates,has disorder","291619","2024-05-05","02:45:46",""
"7715625","23.5014","0.0009","9.8169","0.0002","23.2015","0.0008","90","","114.215","0.004","90","","4881.9","0.3","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 N2 O2 Pt -","- C30 H30 N2 O2 Pt -","- C240 H240 N16 O16 Pt8 -","8","2","","Ikeshita, Masahiro; Ma, Shing Cho; Muller, Gilles; Naota, Takeshi","Linker-dependent control of the chiroptical properties of polymethylene-vaulted <i>trans</i>-bis[(β-iminomethyl)naphthoxy]platinum(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7775","7787","10.1039/d4dt00273c","","","0.71073","MoKα","","0.0367","0.0298","","","0.0826","0.0913","","","","","","1.121","","","","has coordinates","293115","2024-07-05","16:43:48",""
"7715626","13.2992","0.0017","14.0011","0.0017","17.392","0.002","98.406","0.003","90.129","0.003","97.707","0.003","3173.9","0.7","273","","273","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 N2 O2 Pt -","- C34 H38 N2 O2 Pt -","- C136 H152 N8 O8 Pt4 -","4","2","","Ikeshita, Masahiro; Ma, Shing Cho; Muller, Gilles; Naota, Takeshi","Linker-dependent control of the chiroptical properties of polymethylene-vaulted <i>trans</i>-bis[(β-iminomethyl)naphthoxy]platinum(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7775","7787","10.1039/d4dt00273c","","","0.71075","MoKα","","0.0682","0.0464","","","0.1059","0.1135","","","","","","1.041","","","","has coordinates","293115","2024-07-05","16:43:53",""
"7715627","22.504","0.003","44.633","0.006","10.4221","0.0016","90","","90","","90","","10468","3","273","","273","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C32 H34 N2 O2 Pt -","- C32 H34 N2 O2 Pt -","- C512 H544 N32 O32 Pt16 -","16","1","","Ikeshita, Masahiro; Ma, Shing Cho; Muller, Gilles; Naota, Takeshi","Linker-dependent control of the chiroptical properties of polymethylene-vaulted <i>trans</i>-bis[(β-iminomethyl)naphthoxy]platinum(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7775","7787","10.1039/d4dt00273c","","","0.71075","MoKα","","0.0539","0.0394","","","0.0764","0.0813","","","","","","0.989","","","","has coordinates","293115","2024-07-05","16:43:53",""
"7715628","17.0467","","17.1602","","13.0717","","90","","90","","90","","3823.8","","113","","113","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C30 H30 N2 O2 Pt -","- C30 H30 N2 O2 Pt -","- C180 H180 N12 O12 Pt6 -","6","1.5","","Ikeshita, Masahiro; Ma, Shing Cho; Muller, Gilles; Naota, Takeshi","Linker-dependent control of the chiroptical properties of polymethylene-vaulted <i>trans</i>-bis[(β-iminomethyl)naphthoxy]platinum(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7775","7787","10.1039/d4dt00273c","","","0.71073","MoKα","","0.0226","0.022","","","0.057","0.0572","","","","","","1.082","","","","has coordinates","293115","2024-07-05","16:43:53",""
"7715629","17.0712","0.00016","17.8569","0.00017","26.8416","0.0002","90","","90","","90","","8182.36","0.13","113","","113","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32.33 H34.67 Cl0.67 N2 O2 Pt -","- C32.3333 H34.6667 Cl0.666667 N2 O2 Pt -","- C388 H416 Cl8 N24 O24 Pt12 -","12","3","","Ikeshita, Masahiro; Ma, Shing Cho; Muller, Gilles; Naota, Takeshi","Linker-dependent control of the chiroptical properties of polymethylene-vaulted <i>trans</i>-bis[(β-iminomethyl)naphthoxy]platinum(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7775","7787","10.1039/d4dt00273c","","","0.71075","MoKα","","0.0163","0.0152","","","0.0356","0.0358","","","","","","1.025","","","","has coordinates","293115","2024-07-05","16:43:53",""
"7715630","12.075","0.003","10.511","0.002","22.225","0.005","90","","90","","90","","2820.8","1.1","273","","273","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H38 N2 O2 Pt -","- C34 H38 N2 O2 Pt -","- C136 H152 N8 O8 Pt4 -","4","1","","Ikeshita, Masahiro; Ma, Shing Cho; Muller, Gilles; Naota, Takeshi","Linker-dependent control of the chiroptical properties of polymethylene-vaulted <i>trans</i>-bis[(β-iminomethyl)naphthoxy]platinum(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7775","7787","10.1039/d4dt00273c","","","0.71075","MoKα","","0.0474","0.0341","","","0.0644","0.0684","","","","","","0.991","","","","has coordinates","293115","2024-07-05","16:43:53",""
"7715631","12.7659","","16.6732","","42.0401","","90","","96.231","","90","","8895.31","","113","","113","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H50 N2 O2 Pt -","- C40 H50 N2 O2 Pt -","- C400 H500 N20 O20 Pt10 -","10","2.5","","Ikeshita, Masahiro; Ma, Shing Cho; Muller, Gilles; Naota, Takeshi","Linker-dependent control of the chiroptical properties of polymethylene-vaulted <i>trans</i>-bis[(β-iminomethyl)naphthoxy]platinum(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7775","7787","10.1039/d4dt00273c","","","0.71075","MoKα","","0.0656","0.0569","","","0.1307","0.1358","","","","","","0.933","","","","has coordinates","293115","2024-07-05","16:43:53",""
"7715632","25.9465","0.0005","25.9465","0.0005","18.3068","0.0004","90","","90","","90","","12324.5","0.4","113","","113","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C36 H42 N2 O2 Pt -","- C36 H42 N2 O2 Pt -","- C576 H672 N32 O32 Pt16 -","16","1","","Ikeshita, Masahiro; Ma, Shing Cho; Muller, Gilles; Naota, Takeshi","Linker-dependent control of the chiroptical properties of polymethylene-vaulted <i>trans</i>-bis[(β-iminomethyl)naphthoxy]platinum(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7775","7787","10.1039/d4dt00273c","","","0.71073","MoKα","","0.0932","0.0741","","","0.1883","0.1971","","","","","","1.16","","","","has coordinates","293115","2024-07-05","16:43:53",""
"7715633","60.9119","","14.2042","","24.0607","","90","","93.222","","90","","20784.5","","113","","113","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H46 N2 O2 Pt -","- C38 H46 N2 O2 Pt -","- C912 H1104 N48 O48 Pt24 -","24","3","","Ikeshita, Masahiro; Ma, Shing Cho; Muller, Gilles; Naota, Takeshi","Linker-dependent control of the chiroptical properties of polymethylene-vaulted <i>trans</i>-bis[(β-iminomethyl)naphthoxy]platinum(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7775","7787","10.1039/d4dt00273c","","","0.71073","MoKα","","0.1567","0.0758","","","0.1942","0.2311","","","","","","1.028","","","","has coordinates","293115","2024-07-05","16:43:53",""
"7715634","9.1109","0.0003","10.0604","0.0004","18.7421","0.0006","90","","91.389","0.003","90","","1717.38","0.1","113","","113","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H50 N2 O2 Pt -","- C40 H50 N2 O2 Pt -","- C80 H100 N4 O4 Pt2 -","2","1","","Ikeshita, Masahiro; Ma, Shing Cho; Muller, Gilles; Naota, Takeshi","Linker-dependent control of the chiroptical properties of polymethylene-vaulted <i>trans</i>-bis[(β-iminomethyl)naphthoxy]platinum(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7775","7787","10.1039/d4dt00273c","","","0.71075","MoKα","","0.1229","0.113","","","0.3204","0.3273","","","","","","1.068","","","","has coordinates","293115","2024-07-05","16:43:53",""
"7715635","22.1932","0.0006","32.7977","0.0007","32.8261","0.0009","90","","90","","90","","23893.7","1.1","113","","113","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H42 N2 O2 Pt -","- C36 H42 N2 O2 Pt -","- C1152 H1344 N64 O64 Pt32 -","32","8","","Ikeshita, Masahiro; Ma, Shing Cho; Muller, Gilles; Naota, Takeshi","Linker-dependent control of the chiroptical properties of polymethylene-vaulted <i>trans</i>-bis[(β-iminomethyl)naphthoxy]platinum(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7775","7787","10.1039/d4dt00273c","","","0.71075","MoKα","","0.1163","0.0579","","","0.0884","0.1049","","","","","","0.969","","","","has coordinates","293115","2024-07-05","16:43:53",""
"7715636","30.3209","0.0007","9.4282","0.0003","11.2103","0.0003","90","","90","","90","","3204.71","0.15","113","","113","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H46 N2 O2 Pt -","- C38 H46 N2 O2 Pt -","- C152 H184 N8 O8 Pt4 -","4","1","","Ikeshita, Masahiro; Ma, Shing Cho; Muller, Gilles; Naota, Takeshi","Linker-dependent control of the chiroptical properties of polymethylene-vaulted <i>trans</i>-bis[(β-iminomethyl)naphthoxy]platinum(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7775","7787","10.1039/d4dt00273c","","","0.71075","MoKα","","0.0406","0.0341","","","0.0876","0.0906","","","","","","1.018","","","","has coordinates","293115","2024-07-05","16:43:53",""
"7715637","8.1722","0.0003","9.1044","0.0003","10.0931","0.0004","91.45","0.003","113.458","0.003","96.047","0.003","683.2","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H20 Cu N18 -","- C28 H20 Cu N18 -","- C28 H20 Cu N18 -","1","0.5","","Potočňák, Ivan; Bukrynov, Oleksandr; Kliuikov, Andrii; Holub, Mariia; Vitushkina, Svitlana; Samoľová, Erika; Čižmár, Erik; Váhovská, Lucia","Influence of the phonon-bottleneck effect and low-energy vibrational modes on the slow spin-phonon relaxation in Kramers-ions-based Cu(II) and Co(II) complexes with 4-amino-3,5-bis-(pyridin-2-yl)-1,2,4-triazole and dicyanamide.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6950","6964","10.1039/d4dt00219a","","","0.71073","MoKα","","0.0246","0.0238","","","0.0615","0.0619","","","","","","1.08","","","","has coordinates","291639","2024-05-05","03:01:47",""
"7715638","13.4607","0.0002","15.9166","0.0002","21.7242","0.0003","83.175","0.001","73.697","0.001","75.306","0.001","4315.43","0.11","95","2","95","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H20 Co N18 -","- C28 H20 Co N18 -","- C168 H120 Co6 N108 -","6","3","","Potočňák, Ivan; Bukrynov, Oleksandr; Kliuikov, Andrii; Holub, Mariia; Vitushkina, Svitlana; Samoľová, Erika; Čižmár, Erik; Váhovská, Lucia","Influence of the phonon-bottleneck effect and low-energy vibrational modes on the slow spin-phonon relaxation in Kramers-ions-based Cu(II) and Co(II) complexes with 4-amino-3,5-bis-(pyridin-2-yl)-1,2,4-triazole and dicyanamide.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6950","6964","10.1039/d4dt00219a","","","1.54184","CuKα","","0.0431","0.035","","","0.0974","0.103","","","","","","1.054","","","","has coordinates","291639","2024-05-05","03:01:50",""
"7715639","15.1552","0.0001","10.2802","0.0001","21.0871","0.0002","90","","93.344","0.001","90","","3279.74","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H55 Li Ni O8 -","- C34 H55 Li Ni O8 -","- C136 H220 Li4 Ni4 O32 -","4","1","","Borys, Andryj M.; Vedani, Luca; Hevia, Eva","The coordination of alkali-metal nickelates to organic π-systems: synthetic, structural and spectroscopic insights.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8382","8390","10.1039/d4dt00889h","","x-ray","0.71073","MoKα","","0.036","0.0319","","","0.0778","0.0794","","","","","","1.07","","","","has coordinates,has disorder","293055","2024-07-05","16:19:01",""
"7715640","23.83845","0.00018","10.06099","0.00009","31.2245","0.0003","90","","92.8991","0.0008","90","","7479.25","0.11","173","0.1","173","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H52 Li2 Ni O4 -","- C42 H52 Li2 Ni O4 -","- C336 H416 Li16 Ni8 O32 -","8","1","","Borys, Andryj M.; Vedani, Luca; Hevia, Eva","The coordination of alkali-metal nickelates to organic π-systems: synthetic, structural and spectroscopic insights.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8382","8390","10.1039/d4dt00889h","","x-ray","1.54184","CuKα","","0.0498","0.0412","","","0.1189","0.126","","","","","","1.064","","","","has coordinates,has disorder","293055","2024-07-05","16:19:01",""
"7715641","19.9757","0.0001","11.4659","0.0001","21.4623","0.0001","90","","112.396","0.001","90","","4544.93","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H66 K2 N6 Ni -","- C44 H66 K2 N6 Ni -","- C176 H264 K8 N24 Ni4 -","4","1","","Borys, Andryj M.; Vedani, Luca; Hevia, Eva","The coordination of alkali-metal nickelates to organic π-systems: synthetic, structural and spectroscopic insights.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8382","8390","10.1039/d4dt00889h","","x-ray","1.54184","CuKα","","0.0583","0.0557","","","0.1471","0.1494","","","","","","1.086","","","","has coordinates,has disorder","293055","2024-07-05","16:19:01",""
"7715642","10.9424","0.0001","20.8208","0.0002","22.7","0.0002","90","","95.733","0.001","90","","5145.86","0.08","173","0.1","173","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H76 Li4 N4 Ni2 O2 -","- C50 H76 Li4 N4 Ni2 O2 -","- C200 H304 Li16 N16 Ni8 O8 -","4","1","","Borys, Andryj M.; Vedani, Luca; Hevia, Eva","The coordination of alkali-metal nickelates to organic π-systems: synthetic, structural and spectroscopic insights.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8382","8390","10.1039/d4dt00889h","","x-ray","0.71073","MoKα","","0.0419","0.0307","","","0.0764","0.0809","","","","","","1.027","","","","has coordinates,has disorder","293055","2024-07-05","16:19:01",""
"7715643","12.46834","0.00019","9.88563","0.00016","20.5241","0.0003","90","","93.8253","0.0014","90","","2524.11","0.07","173.01","0.1","173.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 K2 Ni O -","- C30 H28 K2 Ni O -","- C120 H112 K8 Ni4 O4 -","4","1","","Borys, Andryj M.; Vedani, Luca; Hevia, Eva","The coordination of alkali-metal nickelates to organic π-systems: synthetic, structural and spectroscopic insights.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8382","8390","10.1039/d4dt00889h","","x-ray","0.71073","MoKα","","0.0631","0.0398","","","0.1211","0.1279","","","","","","1.163","","","","has coordinates","293055","2024-07-05","16:19:01",""
"7715644","10.5871","0.0002","22.0003","0.0003","16.2275","0.0002","90","","94.844","0.001","90","","3766.2","0.1","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H52 N4 Na2 Ni -","- C38 H52 N4 Na2 Ni -","- C152 H208 N16 Na8 Ni4 -","4","1","","Borys, Andryj M.; Vedani, Luca; Hevia, Eva","The coordination of alkali-metal nickelates to organic π-systems: synthetic, structural and spectroscopic insights.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8382","8390","10.1039/d4dt00889h","","x-ray","0.71073","MoKα","","0.0672","0.0429","","","0.0962","0.1051","","","","","","1.023","","","","has coordinates,has disorder","293055","2024-07-05","16:19:01",""
"7715645","23.1162","0.0001","13.7536","0.0001","11.4511","0.0001","90","","96.574","0.001","90","","3616.72","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H52 K O8 -","- C36 H52 K O8 -","- C144 H208 K4 O32 -","4","0.5","","Borys, Andryj M.; Vedani, Luca; Hevia, Eva","The coordination of alkali-metal nickelates to organic π-systems: synthetic, structural and spectroscopic insights.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8382","8390","10.1039/d4dt00889h","","x-ray","1.54184","CuKα","","0.0271","0.0261","","","0.0714","0.072","","","","","","1.06","","","","has coordinates","293055","2024-07-05","16:19:01",""
"7715646","16.7487","0.0002","12.4289","0.0002","18.2015","0.0003","90","","101.534","0.001","90","","3712.45","0.1","173","0.1","173","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H52 Li2 Ni O4 -","- C42 H52 Li2 Ni O4 -","- C168 H208 Li8 Ni4 O16 -","4","1","","Borys, Andryj M.; Vedani, Luca; Hevia, Eva","The coordination of alkali-metal nickelates to organic π-systems: synthetic, structural and spectroscopic insights.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8382","8390","10.1039/d4dt00889h","","x-ray","0.71073","MoKα","","0.0463","0.0377","","","0.0971","0.1012","","","","","","1.029","","","","has coordinates,has disorder","293055","2024-07-05","16:19:01",""
"7715647","17.808","0.0004","13.0662","0.0002","22.5123","0.0004","90","","111.093","0.002","90","","4887.25","0.17","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H69 Li2 Ni O6 -","- C56 H69 Li2 Ni O6 -","- C224 H276 Li8 Ni4 O24 -","4","1","","Borys, Andryj M.; Vedani, Luca; Hevia, Eva","The coordination of alkali-metal nickelates to organic π-systems: synthetic, structural and spectroscopic insights.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8382","8390","10.1039/d4dt00889h","","x-ray","0.71073","MoKα","","0.0697","0.0497","","","0.1336","0.1447","","","","","","1.031","","","","has coordinates,has disorder","293055","2024-07-05","16:19:01",""
"7715648","13.7527","0.0002","21.6279","0.0004","34.0256","0.0005","90","","90","","90","","10120.6","0.3","173.01","0.1","173.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C60 H70 Li2 Ni O6 -","- C60 H70 Li2 Ni O6 -","- C480 H560 Li16 Ni8 O48 -","8","1","","Borys, Andryj M.; Vedani, Luca; Hevia, Eva","The coordination of alkali-metal nickelates to organic π-systems: synthetic, structural and spectroscopic insights.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8382","8390","10.1039/d4dt00889h","","x-ray","0.71073","MoKα","","0.073","0.046","","","0.1154","0.1276","","","","","","1.034","","","","has coordinates,has disorder","293055","2024-07-05","16:19:01",""
"7715649","10.61066","0.00004","10.14415","0.00004","39.27151","0.00016","90","","94.549","0.0004","90","","4213.72","0.03","173.01","0.1","173.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H61 Li2 N Ni O5 -","- C45 H61 Li2 N Ni O5 -","- C180 H244 Li8 N4 Ni4 O20 -","4","1","","Borys, Andryj M.; Vedani, Luca; Hevia, Eva","The coordination of alkali-metal nickelates to organic π-systems: synthetic, structural and spectroscopic insights.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8382","8390","10.1039/d4dt00889h","","x-ray","1.54184","CuKα","","0.0402","0.0388","","","0.108","0.1092","","","","","","1.057","","","","has coordinates","293055","2024-07-05","16:19:01",""
"7715650","12.2297","0.0001","13.7829","0.0002","21.34","0.0002","106.757","0.001","99.603","0.001","92.958","0.001","3377.09","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C76 H88 Na4 Ni2 O6 -","- C76 H88 Na4 Ni2 O6 -","- C152 H176 Na8 Ni4 O12 -","2","1","","Borys, Andryj M.; Vedani, Luca; Hevia, Eva","The coordination of alkali-metal nickelates to organic π-systems: synthetic, structural and spectroscopic insights.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8382","8390","10.1039/d4dt00889h","","x-ray","0.71073","MoKα","","0.0884","0.061","","","0.1613","0.1769","","","","","","1.048","","","","has coordinates,has disorder","293055","2024-07-05","16:19:01",""
"7715651","18.7188","0.0003","26.1144","0.0005","19.8447","0.0003","90","","90","","90","","9700.7","0.3","173","0.1","173","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C52 H62 K2 Ni O8 -","- C52 H62 K2 Ni O8 -","- C416 H496 K16 Ni8 O64 -","8","2","","Borys, Andryj M.; Vedani, Luca; Hevia, Eva","The coordination of alkali-metal nickelates to organic π-systems: synthetic, structural and spectroscopic insights.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8382","8390","10.1039/d4dt00889h","","x-ray","1.54184","CuKα","","0.0855","0.0486","","","0.1061","0.1253","","","","","","1.026","","","","has coordinates","293055","2024-07-05","16:19:01",""
"7715652","26.5914","0.0004","15.6226","0.0002","19.9575","0.0003","90","","98.408","0.001","90","","8201.8","0.2","100.15","","100.15","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C37 H50 K2 Ni O7 -","- C37 H50 K2 Ni O7 -","- C296 H400 K16 Ni8 O56 -","8","1","","Borys, Andryj M.; Vedani, Luca; Hevia, Eva","The coordination of alkali-metal nickelates to organic π-systems: synthetic, structural and spectroscopic insights.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8382","8390","10.1039/d4dt00889h","","x-ray","0.71073","MoKα","","0.046","0.037","","","0.0933","0.097","","","","","","1.036","","","","has coordinates,has disorder","293055","2024-07-05","16:19:01",""
"7715653","11.8167","0.0001","12.2478","0.0001","22.2521","0.0001","93.075","0.001","90.738","0.001","111.029","0.001","2999.91","0.04","173","0.1","173","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C63 H40 D24 Li Ni2 O6 P3 -","- C63 H40 D24 Li Ni2 O6 P3 -","- C126 H80 D48 Li2 Ni4 O12 P6 -","2","1","","Borys, Andryj M.; Vedani, Luca; Hevia, Eva","The coordination of alkali-metal nickelates to organic π-systems: synthetic, structural and spectroscopic insights.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8382","8390","10.1039/d4dt00889h","","x-ray","0.71073","MoKα","","0.0485","0.0378","","","0.0935","0.0979","","","","","","1.034","","","","has coordinates,has disorder","293055","2024-07-05","16:19:01",""
"7715654","18.8977","0.0002","19.4534","0.0002","22.3454","0.0004","80.141","0.001","87.606","0.001","89.551","0.001","8086.34","0.19","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C74 H88 Li4 Ni2 O8 -","- C74.0005 H88.001 Li4 Ni2 O8 -","- C296.002 H352.004 Li16 Ni8 O32 -","4","2","","Borys, Andryj M.; Vedani, Luca; Hevia, Eva","The coordination of alkali-metal nickelates to organic π-systems: synthetic, structural and spectroscopic insights.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8382","8390","10.1039/d4dt00889h","","x-ray","0.71073","MoKα","","0.0848","0.0534","","","0.1316","0.144","","","","","","1.035","","","","has coordinates,has disorder","293055","2024-07-05","16:19:01",""
"7715655","13.7739","0.0001","19.3181","0.0002","14.3061","0.0001","90","","93.228","0.001","90","","3800.61","0.06","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H90 Li4 N2 Ni2 O6 -","- C76 H90 Li4 N2 Ni2 O6 -","- C152 H180 Li8 N4 Ni4 O12 -","2","0.5","","Borys, Andryj M.; Vedani, Luca; Hevia, Eva","The coordination of alkali-metal nickelates to organic π-systems: synthetic, structural and spectroscopic insights.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8382","8390","10.1039/d4dt00889h","","x-ray","0.71073","MoKα","","0.0447","0.0394","","","0.1053","0.1079","","","","","","1.049","","","","has coordinates,has disorder","293055","2024-07-05","16:19:01",""
"7715656","10.4886","0.0007","11.1906","0.0006","12.9544","0.0007","90.277","0.004","102.249","0.005","98.094","0.005","1470.14","0.15","292","2","292","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H68 Cl2 Mn2 N4 O16 -","- C60 H68 Cl2 Mn2 N4 O16 -","- C60 H68 Cl2 Mn2 N4 O16 -","1","0.5","","Kyoya, Yuri; Takahashi, Kiyonori; Kosaka, Wataru; Huang, Rui-Kang; Xue, Chen; Wu, Jia-Bing; Miyasaka, Hitoshi; Nakamura, Takayoshi","Unlocking single molecule magnetism: a supramolecular strategy for isolating neutral Mn<sup>III</sup> salen-type dimer in crystalline environments.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7517","7521","10.1039/d4dt00323c","","x-ray","1.54184","CuKα","","0.0896","0.0687","","","0.1861","0.2069","","","","","","0.951","","","","has coordinates","291609","2024-05-05","02:38:55",""
"7715657","9.4824","0.0004","10.0818","0.0005","10.7058","0.0004","103.486","0.004","104.402","0.004","109.408","0.004","877.31","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H48 N4 Zn2 -","- C38 H48 N4 Zn2 -","- C38 H48 N4 Zn2 -","1","0.5","","Chang, Chen-Chieh; Chen, Ming-Tsz; Huang, Tzu-Lun; Chen, Chi-Tien","Tunable zinc benzamidinate complexes: coordination modes and catalytic activity in the ring-opening polymerization of L-lactide.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7229","7238","10.1039/d4dt00188e","","","0.71073","MoKα","","0.0264","0.0241","","","0.0738","0.0747","","","","","","1.039","","","","has coordinates","291640","2024-05-05","03:02:21",""
"7715658","12.7899","0.0004","12.0267","0.0003","22.7927","0.0006","90","","92.379","0.002","90","","3502.96","0.17","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H44 N4 O2 Zn2 -","- C36 H44 N4 O2 Zn2 -","- C144 H176 N16 O8 Zn8 -","4","0.5","","Chang, Chen-Chieh; Chen, Ming-Tsz; Huang, Tzu-Lun; Chen, Chi-Tien","Tunable zinc benzamidinate complexes: coordination modes and catalytic activity in the ring-opening polymerization of L-lactide.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7229","7238","10.1039/d4dt00188e","","","0.71073","MoKα","","0.038","0.0275","","","0.0702","0.072","","","","","","1.023","","","","has coordinates","291640","2024-05-05","03:02:22",""
"7715659","8.4604","0.0002","9.664","0.0002","22.0213","0.0005","90","","98.548","0.002","90","","1780.49","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H50 N6 Zn2 -","- C38 H50 N6 Zn2 -","- C76 H100 N12 Zn4 -","2","0.5","","Chang, Chen-Chieh; Chen, Ming-Tsz; Huang, Tzu-Lun; Chen, Chi-Tien","Tunable zinc benzamidinate complexes: coordination modes and catalytic activity in the ring-opening polymerization of L-lactide.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7229","7238","10.1039/d4dt00188e","","","0.71073","MoKα","","0.0406","0.033","","","0.1204","0.1242","","","","","","1.003","","","","has coordinates","291640","2024-05-05","03:02:22",""
"7715660","14.8451","0.0004","20.7782","0.0005","20.2976","0.0005","90","","103.28","0.003","90","","6093.5","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C68 H76 N8 Zn2 -","- C68 H76 N8 Zn2 -","- C272 H304 N32 Zn8 -","4","0.5","","Chang, Chen-Chieh; Chen, Ming-Tsz; Huang, Tzu-Lun; Chen, Chi-Tien","Tunable zinc benzamidinate complexes: coordination modes and catalytic activity in the ring-opening polymerization of L-lactide.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7229","7238","10.1039/d4dt00188e","","","0.71073","MoKα","","0.0854","0.0455","","","0.0699","0.0731","","","","","","1.03","","","","has coordinates","291640","2024-05-05","03:02:22",""
"7715661","13.3353","0.0003","18.175","0.0004","26.2092","0.0006","90","","90","","90","","6352.3","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H32 N6 Zn -","- C38 H32 N6 Zn -","- C304 H256 N48 Zn8 -","8","1","","Chang, Chen-Chieh; Chen, Ming-Tsz; Huang, Tzu-Lun; Chen, Chi-Tien","Tunable zinc benzamidinate complexes: coordination modes and catalytic activity in the ring-opening polymerization of L-lactide.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7229","7238","10.1039/d4dt00188e","","","0.71073","MoKα","","0.0433","0.0276","","","0.0738","0.0779","","","","","","1.034","","","","has coordinates","291640","2024-05-05","03:02:22",""
"7715662","36.982","0.007","11.547","0.002","16.211","0.003","90","","100.183","0.004","90","","6814","2","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C63 H94 Mo2 O6 P2 Si4 -","- C63 H94 Mo2 O6 P2 Si4 -","- C252 H376 Mo8 O24 P8 Si16 -","4","0.5","","Muraoka, Takako; Ishita, Taichi; Kawachi, Kosuke; Nishio, Takuya; Ishihara, Hiroto; Ueno, Keiji","Reactions of (mesityl)<sub><i>n</i></sub>(methyl)<sub>2-<i>n</i></sub>silylene complexes with pyridine-<i>N</i>-oxide (<i>n</i> = 1 and 0): formation of silanone complexes and a disiloxanyloxy complex.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7105","7114","10.1039/d4dt00631c","","","0.71073","MoKα","","0.0744","0.0483","","","0.1256","0.1328","","","","","","1.058","","","","has coordinates","291622","2024-05-05","02:48:19",""
"7715663","15.221","0.002","16.815","0.002","20.546","0.003","90","","90","","90","","5258.6","1.2","130","2","130","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C25 H38 Mo O2 Si2 -","- C25 H38 Mo O2 Si2 -","- C200 H304 Mo8 O16 Si16 -","8","1","","Muraoka, Takako; Ishita, Taichi; Kawachi, Kosuke; Nishio, Takuya; Ishihara, Hiroto; Ueno, Keiji","Reactions of (mesityl)<sub><i>n</i></sub>(methyl)<sub>2-<i>n</i></sub>silylene complexes with pyridine-<i>N</i>-oxide (<i>n</i> = 1 and 0): formation of silanone complexes and a disiloxanyloxy complex.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7105","7114","10.1039/d4dt00631c","","","0.71073","MoKα","","0.0356","0.0297","","","0.0732","0.0774","","","","","","1.081","","","","has coordinates","291622","2024-05-05","02:48:26",""
"7715664","15.2435","0.0014","16.7605","0.0014","20.4763","0.0016","90","","90","","90","","5231.5","0.8","120","2","120","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C25 H38 O2 Si2 W -","- C25 H38 O2 Si2 W -","- C200 H304 O16 Si16 W8 -","8","1","","Muraoka, Takako; Ishita, Taichi; Kawachi, Kosuke; Nishio, Takuya; Ishihara, Hiroto; Ueno, Keiji","Reactions of (mesityl)<sub><i>n</i></sub>(methyl)<sub>2-<i>n</i></sub>silylene complexes with pyridine-<i>N</i>-oxide (<i>n</i> = 1 and 0): formation of silanone complexes and a disiloxanyloxy complex.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7105","7114","10.1039/d4dt00631c","","","0.71073","MoKα","","0.0295","0.0256","","","0.0646","0.0661","","","","","","0.986","","","","has coordinates","291622","2024-05-05","02:48:26",""
"7715665","8.6046","0.0002","17.8193","0.0004","20.3916","0.0004","90","","101.988","0.002","90","","3058.41","0.12","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H52 Eu N4 Si4 -","- C18 H52 Eu N4 Si4 -","- C72 H208 Eu4 N16 Si16 -","4","0.5","","Li, Yangjuan; Gong, Yu","Formation of <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine <i>via</i> coupling of the two charge reversed C-N bonds of Me<sub>3</sub>NO in the presence of an Eu(II) bis(trimethylsilyl)amide complex.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5342","5345","10.1039/d4dt00061g","","x-ray","0.71073","MoKα","","0.0216","0.018","","","0.0424","0.0447","","","","","","1.069","","","","has coordinates","290777","2024-04-04","05:43:27",""
"7715666","10.661","0.0004","11.9772","0.0005","12.3171","0.0006","118.634","0.005","102.46","0.004","90.275","0.004","1337.11","0.12","180","0.1","180","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H90 N6 O3 Si8 Yb2 -","- C30 H90 N6 O3 Si8 Yb2 -","- C30 H90 N6 O3 Si8 Yb2 -","1","0.5","","Li, Yangjuan; Gong, Yu","Formation of <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine <i>via</i> coupling of the two charge reversed C-N bonds of Me<sub>3</sub>NO in the presence of an Eu(II) bis(trimethylsilyl)amide complex.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5342","5345","10.1039/d4dt00061g","","x-ray","0.71073","MoKα","","0.0372","0.0334","","","0.0889","0.0906","","","","","","1.055","","","","has coordinates","290777","2024-04-04","05:43:28",""
"7715667","10.899","0.0003","12.0887","0.0003","12.2407","0.0003","119.001","0.003","102.554","0.002","91.31","0.002","1361.2","0.08","179.99","0.1","179.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H88 N4 O3 Si8 Sm2 -","- C32 H88 N4 O3 Si8 Sm2 -","- C32 H88 N4 O3 Si8 Sm2 -","1","0.5","","Li, Yangjuan; Gong, Yu","Formation of <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine <i>via</i> coupling of the two charge reversed C-N bonds of Me<sub>3</sub>NO in the presence of an Eu(II) bis(trimethylsilyl)amide complex.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5342","5345","10.1039/d4dt00061g","","x-ray","0.71073","MoKα","","0.0308","0.0276","","","0.0738","0.0753","","","","","","1.042","","","","has coordinates","290777","2024-04-04","05:43:28",""
"7715668","16.6067","0.0002","18.5906","0.0002","19.4595","0.0003","90","","114.968","0.002","90","","5446.24","0.15","300","","300","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H44 Cl N5 P2 Ru -","- C56 H44 Cl N5 P2 Ru -","- C224 H176 Cl4 N20 P8 Ru4 -","4","1","","Srivastava, Navdeep; Singh, Amrendra K.","Protic- or anionic-NHCs with a classical-NHC in a single [Ru(CNC)(PPh<sub>3</sub>)<sub>2</sub>Cl]Cl pincer complex: direct comparison of structure & electronic properties and heterolytic H<sub>2</sub> splitting.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6870","6874","10.1039/d4dt00623b","","x-ray","0.71073","MoKα","","0.0399","0.0324","","","0.0804","0.0857","","","","","","1.029","","","","has coordinates","291637","2024-05-05","02:58:08",""
"7715669","13.1379","0.0004","24.4204","0.0006","17.1734","0.0003","90","","93.432","0.002","90","","5499.9","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C61 H58 Cl N5 O2 P2 Ru -","- C61 H58 Cl N5 O2 P2 Ru -","- C244 H232 Cl4 N20 O8 P8 Ru4 -","4","1","","Srivastava, Navdeep; Singh, Amrendra K.","Protic- or anionic-NHCs with a classical-NHC in a single [Ru(CNC)(PPh<sub>3</sub>)<sub>2</sub>Cl]Cl pincer complex: direct comparison of structure & electronic properties and heterolytic H<sub>2</sub> splitting.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6870","6874","10.1039/d4dt00623b","","x-ray","0.71073","MoKα","","0.0854","0.0621","","","0.1546","0.1715","","","","","","1.076","","","","has coordinates","291637","2024-05-05","02:58:12",""
"7715670","11.9308","0.0002","17.8608","0.0002","21.5668","0.0005","90","","104.447","0.002","90","","4450.42","0.14","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H43 Cl2 N5 O P2 Ru -","- C48 H43 Cl2 N5 O P2 Ru -","- C192 H172 Cl8 N20 O4 P8 Ru4 -","4","1","","Srivastava, Navdeep; Singh, Amrendra K.","Protic- or anionic-NHCs with a classical-NHC in a single [Ru(CNC)(PPh<sub>3</sub>)<sub>2</sub>Cl]Cl pincer complex: direct comparison of structure & electronic properties and heterolytic H<sub>2</sub> splitting.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6870","6874","10.1039/d4dt00623b","","x-ray","0.71073","MoKα","","0.1209","0.0801","","","0.1513","0.1774","","","","","","1.165","","","","has coordinates","291637","2024-05-05","02:58:12",""
"7715671","9.7331","0.0003","23.3559","0.0008","23.471","0.0008","90","","101.886","0.003","90","","5221.2","0.3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C58 H51 Cl2 N5 O P2 Ru S -","- C58 H51 Cl2 N5 O P2 Ru S -","- C232 H204 Cl8 N20 O4 P8 Ru4 S4 -","4","1","","Srivastava, Navdeep; Singh, Amrendra K.","Protic- or anionic-NHCs with a classical-NHC in a single [Ru(CNC)(PPh<sub>3</sub>)<sub>2</sub>Cl]Cl pincer complex: direct comparison of structure & electronic properties and heterolytic H<sub>2</sub> splitting.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6870","6874","10.1039/d4dt00623b","","x-ray","0.71073","MoKα","","0.1229","0.0683","","","0.1325","0.1551","","","","","","1.04","","","","has coordinates","291637","2024-05-05","02:58:12",""
"7715672","16.391","0.005","10.259","0.003","22.237","0.007","90","","91.976","0.009","90","","3737","2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H80 Cl2 Cu2 O4 P4 -","- C76 H80 Cl2 Cu2 O4 P4 -","- C152 H160 Cl4 Cu4 O8 P8 -","2","0.5","","Ghosh, Moushakhi; Parvin, Nasrina; Panwaria, Prakash; Tothadi, Srinu; Bakthavatsalam, Rangarajan; Therambram, Arshad; Khan, Shabana","Diverse structural reactivity patterns of a POCOP ligand with coinage metals.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7763","7774","10.1039/d3dt03921h","","","0.71073","MoKα","","0.0401","0.0362","","","0.1114","0.1165","","","","","","1.099","","","","has coordinates","293118","2024-07-05","16:45:19",""
"7715673","11.012","0.003","13.359","0.003","15.688","0.004","101.991","0.008","101.226","0.008","110.003","0.007","2030.7","0.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H80 Br4 Cu4 O4 P4 -","- C76 H80 Br4 Cu4 O4 P4 -","- C76 H80 Br4 Cu4 O4 P4 -","1","0.5","","Ghosh, Moushakhi; Parvin, Nasrina; Panwaria, Prakash; Tothadi, Srinu; Bakthavatsalam, Rangarajan; Therambram, Arshad; Khan, Shabana","Diverse structural reactivity patterns of a POCOP ligand with coinage metals.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7763","7774","10.1039/d3dt03921h","","","0.71073","MoKα","","0.0885","0.0611","","","0.1566","0.1754","","","","","","1.029","","","","has coordinates,has disorder","293118","2024-07-05","16:45:19",""
"7715674","11.0314","0.0018","13.72","0.002","15.256","0.002","102.657","0.004","101.013","0.005","91.511","0.005","2205.8","0.6","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C78 H84 Cl4 Cu4 I4 O4 P4 -","- C78 H84 Cl4 Cu4 I4 O4 P4 -","- C78 H84 Cl4 Cu4 I4 O4 P4 -","1","0.5","","Ghosh, Moushakhi; Parvin, Nasrina; Panwaria, Prakash; Tothadi, Srinu; Bakthavatsalam, Rangarajan; Therambram, Arshad; Khan, Shabana","Diverse structural reactivity patterns of a POCOP ligand with coinage metals.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7763","7774","10.1039/d3dt03921h","","","0.71073","MoKα","","0.0554","0.0368","","","0.075","0.0822","","","","","","1.031","","","","has coordinates","293118","2024-07-05","16:45:19",""
"7715675","14.262","0.004","18.863","0.005","17.852","0.005","90","","107.047","0.007","90","","4592","2","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C82 H84 Cl4 Cu4 F12 O16 P4 S4 -","- C82 H84 Cl4 Cu4 F12 O16 P4 S4 -","- C164 H168 Cl8 Cu8 F24 O32 P8 S8 -","2","0.5","","Ghosh, Moushakhi; Parvin, Nasrina; Panwaria, Prakash; Tothadi, Srinu; Bakthavatsalam, Rangarajan; Therambram, Arshad; Khan, Shabana","Diverse structural reactivity patterns of a POCOP ligand with coinage metals.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7763","7774","10.1039/d3dt03921h","","","0.71073","MoKα","","0.0579","0.0362","","","0.0678","0.076","","","","","","1.052","","","","has coordinates,has disorder","293118","2024-07-05","16:45:19",""
"7715676","22.657","0.004","25.548","0.004","29.827","0.006","90","","90","","90","","17265","5","100","2","100","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C79 H85 Au2 Cl6 F12 O4 P4 Sb2 -","- C79 H85 Au2 Cl6 F12 O4 P4 Sb2 -","- C632 H680 Au16 Cl48 F96 O32 P32 Sb16 -","8","1","","Ghosh, Moushakhi; Parvin, Nasrina; Panwaria, Prakash; Tothadi, Srinu; Bakthavatsalam, Rangarajan; Therambram, Arshad; Khan, Shabana","Diverse structural reactivity patterns of a POCOP ligand with coinage metals.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7763","7774","10.1039/d3dt03921h","","","0.71073","MoKα","","0.1324","0.063","","","0.0945","0.1127","","","","","","1.049","","","","has coordinates","293118","2024-07-05","16:45:19",""
"7715677","27.384","0.008","28.232","0.008","11.836","0.003","90","","112.454","0.008","90","","8457","4","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C78 H83 Ag4 Cl4 I4 O4 P4 -","- C78 H83 Ag4 Cl4 I4 O4 P4 -","- C312 H332 Ag16 Cl16 I16 O16 P16 -","4","0.5","","Ghosh, Moushakhi; Parvin, Nasrina; Panwaria, Prakash; Tothadi, Srinu; Bakthavatsalam, Rangarajan; Therambram, Arshad; Khan, Shabana","Diverse structural reactivity patterns of a POCOP ligand with coinage metals.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7763","7774","10.1039/d3dt03921h","","","0.71073","MoKα","","0.0402","0.0326","","","0.0788","0.0829","","","","","","1.076","","","","has coordinates","293118","2024-07-05","16:45:19",""
"7715678","13.814","0.005","16.572","0.006","23.261","0.008","93.161","0.01","90.315","0.011","103.514","0.01","5169","3","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C214 H213 B6 Cl4 Cu6 F24 N12 O9 P8 -","- C214 H213 B6 Cl4 Cu6 F24 N12 O9 P8 -","- C214 H213 B6 Cl4 Cu6 F24 N12 O9 P8 -","1","0.5","","Ghosh, Moushakhi; Parvin, Nasrina; Panwaria, Prakash; Tothadi, Srinu; Bakthavatsalam, Rangarajan; Therambram, Arshad; Khan, Shabana","Diverse structural reactivity patterns of a POCOP ligand with coinage metals.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7763","7774","10.1039/d3dt03921h","","","0.71073","MoKα","","0.1676","0.0922","","","0.1741","0.2026","","","","","","1.074","","","","has coordinates,has disorder","293118","2024-07-05","16:45:19",""
"7715679","26.715","0.006","23.138","0.006","20.914","0.005","90","","93.309","0.008","90","","12906","5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C124 H120 Cu4 O4 P8 -","- C124 H120 Cu4 O4 P8 -","- C496 H480 Cu16 O16 P32 -","4","0.5","","Ghosh, Moushakhi; Parvin, Nasrina; Panwaria, Prakash; Tothadi, Srinu; Bakthavatsalam, Rangarajan; Therambram, Arshad; Khan, Shabana","Diverse structural reactivity patterns of a POCOP ligand with coinage metals.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7763","7774","10.1039/d3dt03921h","","","0.71073","MoKα","","0.1005","0.0507","","","0.1037","0.1241","","","","","","1.037","","","","has coordinates","293118","2024-07-05","16:45:19",""
"7715680","14.6752","0.0006","15.9922","0.0006","17.7042","0.0007","103.034","0.002","91.157","0.002","103.181","0.002","3930","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C84 H95 Ag F6 O6 P4 Sb -","- C84 H95 Ag F6 O6 P4 Sb -","- C168 H190 Ag2 F12 O12 P8 Sb2 -","2","1","","Ghosh, Moushakhi; Parvin, Nasrina; Panwaria, Prakash; Tothadi, Srinu; Bakthavatsalam, Rangarajan; Therambram, Arshad; Khan, Shabana","Diverse structural reactivity patterns of a POCOP ligand with coinage metals.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7763","7774","10.1039/d3dt03921h","","","0.71073","MoKα","","0.1178","0.0633","","","0.1332","0.1572","","","","","","1.024","","","","has coordinates,has disorder","293118","2024-07-05","16:45:19",""
"7715681","16.1275","0.0005","24.4987","0.0008","21.187","0.0009","90","","105.565","0.001","90","","8064","0.5","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C77 H82 Ag4 Br4 Cl2 O4 P4 -","- C77 H82 Ag4 Br4 Cl2 O4 P4 -","- C308 H328 Ag16 Br16 Cl8 O16 P16 -","4","0.5","","Ghosh, Moushakhi; Parvin, Nasrina; Panwaria, Prakash; Tothadi, Srinu; Bakthavatsalam, Rangarajan; Therambram, Arshad; Khan, Shabana","Diverse structural reactivity patterns of a POCOP ligand with coinage metals.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7763","7774","10.1039/d3dt03921h","","","0.71073","MoKα","","0.0434","0.0266","","","0.0535","0.0588","","","","","","1.071","","","","has coordinates","293118","2024-07-05","16:45:19",""
"7715682","21.921","0.009","16.939","0.007","24.632","0.009","90","","96.918","0.013","90","","9080","6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H48 Au2 Cl2 O3 P2 -","- C42 H48 Au2 Cl2 O3 P2 -","- C336 H384 Au16 Cl16 O24 P16 -","8","2","","Ghosh, Moushakhi; Parvin, Nasrina; Panwaria, Prakash; Tothadi, Srinu; Bakthavatsalam, Rangarajan; Therambram, Arshad; Khan, Shabana","Diverse structural reactivity patterns of a POCOP ligand with coinage metals.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7763","7774","10.1039/d3dt03921h","","","0.71073","MoKα","","0.0574","0.0358","","","0.0709","0.0808","","","","","","1.017","","","","has coordinates","294865","2024-09-24","08:56:35",""
"7715683","23.5867","0.0004","23.5867","0.0004","13.2999","0.0002","90","","90","","120","","6407.87","0.18","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C72 H123 O30 P6 Y -","- C72 H123 O30 P6 Y -","- C216 H369 O90 P18 Y3 -","3","0.166667","","Borah, Aditya; Dey, Sourav; Siddiqui, Kehkasha; Gupta, Sandeep K.; Rajaraman, Gopalan; Murugavel, Ramaswamy","Magnetic anisotropy in octahedral Dy(III) and Yb(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7263","7267","10.1039/d3dt04352e","","x-ray","0.71073","MoKα","","0.0313","0.0302","","","0.0782","0.0791","","","","","","1.05","","","","has coordinates","291610","2024-05-05","02:39:37",""
"7715684","23.764","0.004","23.764","0.004","13.421","0.004","90","","90","","120","","6564","3","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","Dy","","- C72 H123 Dy O30 P6 -","- C72 H123 Dy O30 P6 -","- C216 H369 Dy3 O90 P18 -","3","0.166667","","Borah, Aditya; Dey, Sourav; Siddiqui, Kehkasha; Gupta, Sandeep K.; Rajaraman, Gopalan; Murugavel, Ramaswamy","Magnetic anisotropy in octahedral Dy(III) and Yb(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7263","7267","10.1039/d3dt04352e","","","0.71073","MoKα","","0.0186","0.0186","","","0.0495","0.0496","","","","","","1.056","","","","has coordinates","291610","2024-05-05","02:39:41",""
"7715685","23.5532","0.0003","23.5532","0.0003","13.4632","0.0002","90","","90","","120","","6468.13","0.15","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","2","","- C72 H123 O30 P6 Yb -","- C72 H123 O30 P6 Yb -","- C216 H369 O90 P18 Yb3 -","3","0.166667","","Borah, Aditya; Dey, Sourav; Siddiqui, Kehkasha; Gupta, Sandeep K.; Rajaraman, Gopalan; Murugavel, Ramaswamy","Magnetic anisotropy in octahedral Dy(III) and Yb(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7263","7267","10.1039/d3dt04352e","","","0.71073","MoKα","","0.0312","0.0306","","","0.068","0.0686","","","","","","1.08","","","","has coordinates","291610","2024-05-05","02:39:49",""
"7715686","8.6981","0.0002","13.2756","0.0004","18.4773","0.0004","90","","98.763","0.002","90","","2108.71","0.09","99.99","0.1","99.99","0.1","","","","","","","","6","I 1 2 1","I 2y","5","","R-CuI","","- C20 H20 Cu2 I2 N2 O2 -","- C20 H20 Cu2 I2 N2 O2 -","- C80 H80 Cu8 I8 N8 O8 -","4","1","","Wu, Zhi-Yuan; Yu, Mu-Xin; Zhang, Zi-Qing; Jiang, Jia-Xin; Liu, Ting; Jiang, Fei-Long; Chen, Lian; Hong, Mao-Chun","1D Cu(I)-based chiral organic-inorganic hybrid material with second harmonic generation and circular polarized luminescence.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7315","7320","10.1039/d4dt00735b","","x-ray","1.54184","CuKα","","0.0248","0.0235","","","0.06","0.0605","","","","","","1.007","","","","has coordinates","291607","2024-05-05","02:37:23",""
"7715687","8.6998","0.0004","13.2495","0.0005","18.6513","0.0008","90","","98.923","0.004","90","","2123.88","0.16","149.99","0.1","149.99","0.1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C20 H20 Cu2 I2 N2 O2 -","- C20 H20 Cu2 I2 N2 O2 -","- C80 H80 Cu8 I8 N8 O8 -","4","1","","Wu, Zhi-Yuan; Yu, Mu-Xin; Zhang, Zi-Qing; Jiang, Jia-Xin; Liu, Ting; Jiang, Fei-Long; Chen, Lian; Hong, Mao-Chun","1D Cu(I)-based chiral organic-inorganic hybrid material with second harmonic generation and circular polarized luminescence.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7315","7320","10.1039/d4dt00735b","","x-ray","1.54184","CuKα","","0.0346","0.034","","","0.0874","0.0883","","","","","","1.059","","","","has coordinates","291607","2024-05-05","02:37:33",""
"7715688","17.58","0.002","9.3786","0.001","18.147","0.002","90","","91.065","0.004","90","","2991.5","0.6","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 Cl4 N2 Ni2 S4 -","- C24 H32 Cl4 N2 Ni2 S4 -","- C96 H128 Cl16 N8 Ni8 S16 -","4","1","","Quiroz, Manuel; Jana, Manish; Liu, Kaiyang; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y.","Site specific redox properties in ligand differentiated di-nickel complexes inspired by the acetyl CoA synthase active site.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7414","7423","10.1039/d4dt00306c","","","0.71073","MoKα","","0.0278","0.0246","","","0.0541","0.0567","","","","","","1.067","","","","has coordinates,has disorder","291612","2024-05-05","02:41:08",""
"7715689","8.2002","0.0003","9.6581","0.0003","10.9978","0.0004","94.226","0.001","93.767","0.001","100.803","0.001","850.43","0.05","110","","110","","","","","","","","","5","P -1","-P 1","2","","Nibmedame-Nimnt","","- C12 H18 N4 Ni2 S4 -","- C12 H18 N4 Ni2 S4 -","- C24 H36 N8 Ni4 S8 -","2","1","","Quiroz, Manuel; Jana, Manish; Liu, Kaiyang; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y.","Site specific redox properties in ligand differentiated di-nickel complexes inspired by the acetyl CoA synthase active site.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7414","7423","10.1039/d4dt00306c","","","0.71073","MoKα","","0.0269","0.0215","","","0.0426","0.0453","","","","","","1.085","","","","has coordinates","291612","2024-05-05","02:41:08",""
"7715690","10.8029","0.0006","9.5412","0.0005","25.5522","0.0013","90","","94.968","0.002","90","","2623.8","0.2","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nibmedame-Nidpdt_O2","","- C22 H28 N2 Ni2 O2 S4 -","- C22 H28 N2 Ni2 O2 S4 -","- C88 H112 N8 Ni8 O8 S16 -","4","1","","Quiroz, Manuel; Jana, Manish; Liu, Kaiyang; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y.","Site specific redox properties in ligand differentiated di-nickel complexes inspired by the acetyl CoA synthase active site.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7414","7423","10.1039/d4dt00306c","","","0.71073","MoKα","","0.0467","0.0366","","","0.1044","0.115","","","","","","1.11","","","","has coordinates","291612","2024-05-05","02:41:08",""
"7715691","13.2528","0.0005","16.1861","0.0007","20.3139","0.0008","83.934","0.002","70.988","0.001","68.434","0.002","3831","0.3","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H58 N4 Ni2 O2 S4 -","- C36 H58 N4 Ni2 O2 S4 -","- C144 H232 N16 Ni8 O8 S16 -","4","2","","Quiroz, Manuel; Jana, Manish; Liu, Kaiyang; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y.","Site specific redox properties in ligand differentiated di-nickel complexes inspired by the acetyl CoA synthase active site.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7414","7423","10.1039/d4dt00306c","","","0.71073","MoKα","","0.0399","0.029","","","0.0682","0.0718","","","","","","1.059","","","","has coordinates,has disorder","291612","2024-05-05","02:41:08",""
"7715692","13.1386","0.0003","10.9694","0.0003","23.2017","0.0006","90","","92.5001","0.0015","90","","3340.71","0.15","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C70 H90 Cl2 N2 O6 P4 Ru Si2 -","- C70 H90 Cl2 N2 O6 P4 Ru Si2 -","- C140 H180 Cl4 N4 O12 P8 Ru2 Si4 -","2","0.5","","Sama, Folasade J.; Doyle, Rachel A.; Kariuki, Benson M.; Pridmore, Natalie E.; Sparkes, Hazel A.; Wingad, Richard L.; Wass, Duncan F.","Backbone-functionalised ruthenium diphosphine complexes for catalytic upgrading of ethanol and methanol to iso-butanol.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","8005","8010","10.1039/d4dt00561a","","","0.71073","MoKα","","0.0371","0.0289","","","0.0653","0.0687","","","","","","1.036","","","","has coordinates,has disorder","293113","2024-07-05","16:42:46",""
"7715693","10.3517","0.0003","11.789","0.0003","14.7461","0.0004","86.83","0.002","82.892","0.002","66.874","0.002","1642.19","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C74.03 H73.39 Cl2 F0.84 N2 P4 Ru -","- C74.0328 H73.394 Cl2 F0.8388 N2 P4 Ru -","- C74.0328 H73.394 Cl2 F0.8388 N2 P4 Ru -","1","0.5","","Sama, Folasade J.; Doyle, Rachel A.; Kariuki, Benson M.; Pridmore, Natalie E.; Sparkes, Hazel A.; Wingad, Richard L.; Wass, Duncan F.","Backbone-functionalised ruthenium diphosphine complexes for catalytic upgrading of ethanol and methanol to iso-butanol.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","8005","8010","10.1039/d4dt00561a","","","0.71073","MoKα","","0.0668","0.0452","","","0.1082","0.119","","","","","","1.003","","","","has coordinates,has disorder","293113","2024-07-05","16:42:46",""
"7715694","10.488","0.003","13.127","0.013","17.843","0.006","90","","91.283","0.018","90","","2456","3","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H74 Cl6 N2 O6 Re2 -","- C38 H74 Cl6 N2 O6 Re2 -","- C76 H148 Cl12 N4 O12 Re4 -","2","0.5","","Shee, Uday; Sinha, Debopam; Mondal, Sandip; Rajak, Kajal Krishna","Electrochemical water oxidation reaction by dinuclear Re(V) oxo complexes with a 1,4-benzoquinone core <i>via</i> the redox induced electron transfer (RIET) process.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8254","8263","10.1039/d4dt00057a","","","0.71073","MoKα","","0.0426","0.0335","","","0.0718","0.0767","","","","","","1.0781","","","","has coordinates","293061","2024-07-05","16:20:35",""
"7715695","15.72","0.03","16.498","0.018","18.03","0.02","94.031","0.019","100.44","0.04","90.63","0.04","4586","11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C49.5 H34 Cl F4 N3 S2 -","- C49.5 H34 Cl F4 N3 S2 -","- C198 H136 Cl4 F16 N12 S8 -","4","2","","Jana, Manik; Sahoo, Sumit; Kottekad, Sanjay; Usharani, Dandamudi; Rath, Harapriya","Rational and controllable syntheses of variants of modified N-confused N-fused porphodimethenes and a porphotrimethene with adaptive properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7397","7405","10.1039/d4dt00770k","","","0.71073","MoKα","","0.2536","0.09","","","0.2082","0.2839","","","","","","0.919","","","","has coordinates","295862","2024-11-09","12:08:13",""
"7715696","15.1083","0.0009","7.4003","0.0005","23.334","0.0014","90","","107.382","0.003","90","","2489.7","0.3","100.02","","100.02","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H54 N4 O34 S4 Yb2 -","- C32 H54 N4 O34 S4 Yb2 -","- C64 H108 N8 O68 S8 Yb4 -","2","0.5","","Chen, Yun-Long; Feng, Min; Zhu, Xiaofei; Zheng, Zhiping","Lanthanide complexes with an azo-dye chromophore ligand: syntheses, crystal structures, and near-infrared luminescence by long-wavelength excitation.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7350","7357","10.1039/d4dt00577e","","","0.71073","MoKα","","0.085","0.0455","","","0.0794","0.0936","","","","","","1.007","","","","has coordinates","291620","2024-05-05","02:46:33",""
"7715697","15.2177","0.001","7.4551","0.0004","23.3788","0.0013","90","","107.394","0.002","90","","2531","0.3","99.99","","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H54 Gd2 N4 O34 S4 -","- C32 H54 Gd2 N4 O34 S4 -","- C64 H108 Gd4 N8 O68 S8 -","2","0.5","","Chen, Yun-Long; Feng, Min; Zhu, Xiaofei; Zheng, Zhiping","Lanthanide complexes with an azo-dye chromophore ligand: syntheses, crystal structures, and near-infrared luminescence by long-wavelength excitation.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7350","7357","10.1039/d4dt00577e","","","0.71073","MoKα","","0.0538","0.0395","","","0.0864","0.0929","","","","","","1.042","","","","has coordinates","291620","2024-05-05","02:46:40",""
"7715698","15.145","0.0006","7.4186","0.0003","23.361","0.0008","90","","107.369","0.001","90","","2505.04","0.17","100.05","","100.05","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H54 Er2 N4 O34 S4 -","- C32 H54 Er2 N4 O34 S4 -","- C64 H108 Er4 N8 O68 S8 -","2","0.5","","Chen, Yun-Long; Feng, Min; Zhu, Xiaofei; Zheng, Zhiping","Lanthanide complexes with an azo-dye chromophore ligand: syntheses, crystal structures, and near-infrared luminescence by long-wavelength excitation.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7350","7357","10.1039/d4dt00577e","","","0.71073","MoKα","","0.0408","0.0301","","","0.0663","0.0715","","","","","","1.041","","","","has coordinates","291620","2024-05-05","02:46:40",""
"7715699","11.2494","0.0006","14.5051","0.0007","15.046","0.0008","113.056","0.003","90.302","0.003","111.853","0.003","2063.6","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H90 Er2 N4 O28 S16 -","- C52 H78 Er2 N4 O26 S14 -","- C52 H78 Er2 N4 O26 S14 -","1","0.5","","Chen, Yun-Long; Feng, Min; Zhu, Xiaofei; Zheng, Zhiping","Lanthanide complexes with an azo-dye chromophore ligand: syntheses, crystal structures, and near-infrared luminescence by long-wavelength excitation.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7350","7357","10.1039/d4dt00577e","","","1.34139","GaKα","","0.0668","0.0504","","","0.1158","0.1211","","","","","","1.064","","","","has coordinates","291620","2024-05-05","02:46:40",""
"7715700","11.2546","0.0008","14.4042","0.0009","15.0132","0.0009","113.027","0.003","90.449","0.004","111.806","0.004","2046","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H90 N4 O28 S16 Yb2 -","- C52 H78 N4 O26 S14 Yb2 -","- C52 H78 N4 O26 S14 Yb2 -","1","0.5","","Chen, Yun-Long; Feng, Min; Zhu, Xiaofei; Zheng, Zhiping","Lanthanide complexes with an azo-dye chromophore ligand: syntheses, crystal structures, and near-infrared luminescence by long-wavelength excitation.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7350","7357","10.1039/d4dt00577e","","","1.34139","GaKα","","0.0533","0.0425","","","0.1046","0.1077","","","","","","1.105","","","","has coordinates","291620","2024-05-05","02:46:40",""
"7715701","11.2789","0.0008","14.5397","0.0011","15.0454","0.0011","113.012","0.003","90.218","0.003","111.884","0.002","2074.8","0.3","100.02","","100.02","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H90 Gd2 N4 O28 S16 -","- C52 H78 Gd2 N4 O26 S14 -","- C52 H78 Gd2 N4 O26 S14 -","1","0.5","","Chen, Yun-Long; Feng, Min; Zhu, Xiaofei; Zheng, Zhiping","Lanthanide complexes with an azo-dye chromophore ligand: syntheses, crystal structures, and near-infrared luminescence by long-wavelength excitation.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7350","7357","10.1039/d4dt00577e","","","0.71073","MoKα","","0.0572","0.0393","","","0.0772","0.0824","","","","","","1.016","","","","has coordinates","291620","2024-05-05","02:46:40",""
"7715702","30.2788","0.0004","30.2788","0.0004","9.8954","0.0001","90","","90","","120","","7856.72","0.17","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H12 N4 O2 Pt -","- C18 H12 N4 O2 Pt -","- C324 H216 N72 O36 Pt18 -","18","1","","Mochizuki, Takanari; Yoshida, Masaki; Kobayashi, Atsushi; Kato, Masako","Controlled crystallisation of porous crystals of luminescent platinum(II) complexes by electronic tuning of ancillary ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12064","12072","10.1039/d4dt00713a","","x-ray","1.54184","CuKα","","0.023","0.0217","","","0.0591","0.0596","","","","","","1.124","","","","has coordinates","293818","2024-08-05","18:45:53",""
"7715703","18.7698","0.0005","15.2043","0.0003","5.0653","0.0001","90","","90","","90","","1445.54","0.06","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H11 N3 O3 Pt -","- C17 H11 N3 O3 Pt -","- C68 H44 N12 O12 Pt4 -","4","1","","Mochizuki, Takanari; Yoshida, Masaki; Kobayashi, Atsushi; Kato, Masako","Controlled crystallisation of porous crystals of luminescent platinum(II) complexes by electronic tuning of ancillary ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12064","12072","10.1039/d4dt00713a","","x-ray","1.54184","CuKα","","0.0533","0.05","","","0.1448","0.1485","","","","","","1.114","","","","has coordinates","293818","2024-08-05","18:45:53",""
"7715704","30.5683","0.001","30.5683","0.001","9.9905","0.0004","90","","90","","120","","8084.6","0.5","150","","150","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C19 H12 F N3 O2 Pt -","- C19 H12 F N3 O2 Pt -","- C342 H216 F18 N54 O36 Pt18 -","18","1","","Mochizuki, Takanari; Yoshida, Masaki; Kobayashi, Atsushi; Kato, Masako","Controlled crystallisation of porous crystals of luminescent platinum(II) complexes by electronic tuning of ancillary ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12064","12072","10.1039/d4dt00713a","","x-ray","0.71073","MoKα","","0.0466","0.0344","","","0.0723","0.0748","","","","","","1.067","","","","has coordinates","293818","2024-08-05","18:45:53",""
"7715705","11.9374","0.0002","14.5137","0.0002","23.8247","0.0003","90","","90","","90","","4127.77","0.1","120","0.1","120","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H44 Fe N10 O13 -","- C38 H44 Fe N10 O13 -","- C152 H176 Fe4 N40 O52 -","4","1","","Jornet-Mollá, Verónica; Rodríguez-Tarrazó, Marina I; Dolz-Lozano, Miquel J; Giménez-Saiz, Carlos; Romero, Francisco M.","Hydrogen-bonded assemblies of iron(II) spin crossover complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7848","7856","10.1039/d4dt00579a","","","0.71073","MoKα","","0.0879","0.0613","","","0.1145","0.1238","","","","","","1.073","","","","has coordinates","293105","2024-07-05","16:40:21",""
"7715706","8.1212","0.0002","31.2063","0.0008","13.5547","0.0004","90","","96.059","0.003","90","","3416.01","0.16","120","0.14","120","0.14","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 Fe N10 O11 -","- C31 H32 Fe N10 O11 -","- C124 H128 Fe4 N40 O44 -","4","1","","Jornet-Mollá, Verónica; Rodríguez-Tarrazó, Marina I; Dolz-Lozano, Miquel J; Giménez-Saiz, Carlos; Romero, Francisco M.","Hydrogen-bonded assemblies of iron(II) spin crossover complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7848","7856","10.1039/d4dt00579a","","","0.71073","MoKα","","0.1994","0.075","","","0.1474","0.2055","","","","","","0.99","","","","has coordinates","293105","2024-07-05","16:40:23",""
"7715707","28.8805","0.0005","15.381","0.0002","8.49297","0.00012","90","","90","","90","","3772.67","0.1","120","0.1","120","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C36 H36 Fe N10 O9 -","- C36 H36 Fe N10 O9 -","- C144 H144 Fe4 N40 O36 -","4","1","","Jornet-Mollá, Verónica; Rodríguez-Tarrazó, Marina I; Dolz-Lozano, Miquel J; Giménez-Saiz, Carlos; Romero, Francisco M.","Hydrogen-bonded assemblies of iron(II) spin crossover complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7848","7856","10.1039/d4dt00579a","","","0.71073","MoKα","","0.071","0.0554","","","0.1011","0.1061","","","","","","1.101","","","","has coordinates","293105","2024-07-05","16:40:25",""
"7715708","13.1218","0.0003","18.3926","0.0004","23.5962","0.0006","90","","93.494","0.002","90","","5684.2","0.2","297","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H56 Mn2 N28 O93 P2 W24 -","- C36 H54 Mn2 N28 O93 P2 W24 -","- C72 H108 Mn4 N56 O186 P4 W48 -","2","0.5","","Bai, Xue; Zhu, Maochun; Liu, Yifei; Xing, Min; Ji, Xiaoying; Zhang, Ange; Yang, Yanli; Lu, Ying; Liu, Shuxia","Effective oxygen activation on polyoxometalate-based hybrids for epoxidation of alkenes.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6875","6880","10.1039/d4dt00530a","","x-ray","0.71073","MoKα","","0.0688","0.0497","","","0.1087","0.1237","","","","","","1.034","","","","has coordinates,has disorder","291636","2024-05-05","02:57:27",""
"7715709","13.0651","0.0008","18.4692","0.0011","23.0933","0.0016","90","","93.403","0.002","90","","5562.6","0.6","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 Co N14 O46 P W12 -","- C18 H26 Co N14 O46 P W12 -","- C72 H104 Co4 N56 O184 P4 W48 -","4","1","","Bai, Xue; Zhu, Maochun; Liu, Yifei; Xing, Min; Ji, Xiaoying; Zhang, Ange; Yang, Yanli; Lu, Ying; Liu, Shuxia","Effective oxygen activation on polyoxometalate-based hybrids for epoxidation of alkenes.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","6875","6880","10.1039/d4dt00530a","","","0.71073","MoKα","","0.0602","0.0368","","","0.0653","0.0729","","","","","","1.077","","","","has coordinates,has disorder","291636","2024-05-05","02:57:30",""
"7715710","11.3382","0.0001","12.5869","0.0002","15.1417","0.0002","107.918","0.001","95.858","0.001","113.688","0.001","1818.63","0.05","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H15 N2 O5 Re S -","- C17 H15 N2 O5 Re S -","- C68 H60 N8 O20 Re4 S4 -","4","2","","Levina, Aviva; Wardhani, Kartika; Stephens, Liam J.; Werrett, Melissa V.; Caporale, Chiara; Dallerba, Elena; Blair, Victoria L.; Massi, Massimiliano; Lay, Peter A.; Andrews, Philip C.","Neutral rhenium(I) tricarbonyl complexes with sulfur-donor ligands: anti-proliferative activity and cellular localization.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7866","7879","10.1039/d4dt00149d","","","1.54184","CuKα","","0.0533","0.0501","","","0.1255","0.1276","","","","","","1.101","","","","has coordinates","293114","2024-07-05","16:42:58",""
"7715711","6.547","0.0004","18.4883","0.0009","15.5201","0.0008","90","","97.05","0.005","90","","1864.39","0.18","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N2 O5 Re S -","- C18 H17 N2 O5 Re S -","- C72 H68 N8 O20 Re4 S4 -","4","1","","Levina, Aviva; Wardhani, Kartika; Stephens, Liam J.; Werrett, Melissa V.; Caporale, Chiara; Dallerba, Elena; Blair, Victoria L.; Massi, Massimiliano; Lay, Peter A.; Andrews, Philip C.","Neutral rhenium(I) tricarbonyl complexes with sulfur-donor ligands: anti-proliferative activity and cellular localization.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7866","7879","10.1039/d4dt00149d","","","0.71073","MoKα","","0.0874","0.0409","","","0.0706","0.0827","","","","","","0.971","","","","has coordinates","293114","2024-07-05","16:42:59",""
"7715712","8.0919","0.0002","10.3371","0.0002","14.8397","0.0003","103.819","0.002","91.764","0.002","106.969","0.002","1146.12","0.05","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H19 N2 O5 Re S -","- C25 H19 N2 O5 Re S -","- C50 H38 N4 O10 Re2 S2 -","2","1","","Levina, Aviva; Wardhani, Kartika; Stephens, Liam J.; Werrett, Melissa V.; Caporale, Chiara; Dallerba, Elena; Blair, Victoria L.; Massi, Massimiliano; Lay, Peter A.; Andrews, Philip C.","Neutral rhenium(I) tricarbonyl complexes with sulfur-donor ligands: anti-proliferative activity and cellular localization.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7866","7879","10.1039/d4dt00149d","","","1.54184","CuKα","","0.0408","0.0387","","","0.0975","0.0989","","","","","","1.064","","","","has coordinates","293114","2024-07-05","16:42:59",""
"7715713","6.386","0.0001","20.3549","0.0002","15.3475","0.0002","90","","100.417","0.001","90","","1962.08","0.04","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N2 O5 Re S -","- C20 H17 N2 O5 Re S -","- C80 H68 N8 O20 Re4 S4 -","4","1","","Levina, Aviva; Wardhani, Kartika; Stephens, Liam J.; Werrett, Melissa V.; Caporale, Chiara; Dallerba, Elena; Blair, Victoria L.; Massi, Massimiliano; Lay, Peter A.; Andrews, Philip C.","Neutral rhenium(I) tricarbonyl complexes with sulfur-donor ligands: anti-proliferative activity and cellular localization.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7866","7879","10.1039/d4dt00149d","","","1.54184","CuKα","","0.0517","0.0492","","","0.1281","0.1298","","","","","","1.161","","","","has coordinates","293114","2024-07-05","16:42:59",""
"7715714","22.7738","0.0014","8.1597","0.0005","15.4972","0.0008","90","","93.142","0.002","90","","2875.5","0.3","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 Cl2 Co N7 O10 -","- C24 H27 Cl2 Co N7 O10 -","- C96 H108 Cl8 Co4 N28 O40 -","4","1","","Ali, Afsar; Verma, Rajaneesh Kumar; Das, Avijit; Paria, Sayantan","Exploring the effect of a pendent amine group poised over the secondary coordination sphere of a cobalt complex on the electrocatalytic hydrogen evolution reaction.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8289","8297","10.1039/d4dt00009a","","","0.71073","MoKα","","0.0735","0.0644","","","0.1556","0.1612","","","","","","1.131","","","","has coordinates","293058","2024-07-05","16:19:43",""
"7715715","5.5261","0.0004","11.2082","0.0008","14.0565","0.0012","90","","97.992","0.003","90","","862.17","0.11","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H18 Ag2 N4 O12 -","- C10 H18 Ag2 N4 O12 -","- C20 H36 Ag4 N8 O24 -","2","1","","Kuzderová, Gabriela; Sovová, Simona; Rendošová, Michaela; Gyepes, Róbert; Sabolová, Danica; Kožárová, Ivona; Balážová, Ľudmila; Vilková, Mária; Kello, Martin; Liška, Alan; Vargová, Zuzana","Influence of proline and hydroxyproline as antimicrobial and anticancer peptide components on the silver(I) ion activity: structural and biological evaluation with a new theoretical and experimental SAR approach.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","10834","10850","10.1039/d4dt00389f","","","0.71073","MoKα","","0.0358","0.0351","","","0.1062","0.1071","","","","","","1.108","","","","has coordinates","293032","2024-07-05","16:08:48",""
"7715716","5.4739","0.0001","11.0228","0.0003","13.9383","0.0004","90","","98.041","0.001","90","","832.74","0.04","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H18 Ag2 N4 O10 -","- C10 H18 Ag2 N4 O10 -","- C20 H36 Ag4 N8 O20 -","2","1","","Kuzderová, Gabriela; Sovová, Simona; Rendošová, Michaela; Gyepes, Róbert; Sabolová, Danica; Kožárová, Ivona; Balážová, Ľudmila; Vilková, Mária; Kello, Martin; Liška, Alan; Vargová, Zuzana","Influence of proline and hydroxyproline as antimicrobial and anticancer peptide components on the silver(I) ion activity: structural and biological evaluation with a new theoretical and experimental SAR approach.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","10834","10850","10.1039/d4dt00389f","","","0.71073","MoKα","","0.0156","0.0152","","","0.0329","0.0331","","","","","","1.036","","","","has coordinates","293032","2024-07-05","16:08:49",""
"7715717","7.7203","0.0004","11.3727","0.0005","12.608","0.0006","91.3198","0.0017","103.034","0.0016","100.541","0.0018","1057.88","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","H4L","","- C46 H64 N4 O8 -","- C46 H64 N4 O8 -","- C46 H64 N4 O8 -","1","0.5","","Zabala-Lekuona, Andoni; Lopez de Pariza, Xabier; Díaz-Ortega, Ismael F; Cepeda, Javier; Nojiri, Hiroyuki; Gritsan, Nina P.; Dmitriev, Alexey A.; López-Ortega, Alberto; Rodríguez-Diéguez, Antonio; Seco, José M; Colacio, Enrique","From field-induced to zero-field SMMs associated with open/closed structures of bis(ZnDy) tetranuclear complexes: a combined magnetic, theoretical and optical study.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7971","7984","10.1039/d4dt00148f","","","0.71073","MoKα","","0.0852","0.0562","","","0.1226","0.1347","","","","","","1.047","","","","has coordinates","293107","2024-07-05","16:41:37",""
"7715718","20.893","0.0001","22.743","0.0001","12.225","0.0008","90","","90","","90","","5808.9","0.4","150","0.1","150","0.1","","","","","","","","6","P b a 2","P 2 -2ab","32","","Compound2","","- C102 H156 Dy2 N12 O40 Zn2 -","- C96 H128 Dy2 N12 O32 Zn2 -","- C192 H256 Dy4 N24 O64 Zn4 -","2","0.5","","Zabala-Lekuona, Andoni; Lopez de Pariza, Xabier; Díaz-Ortega, Ismael F; Cepeda, Javier; Nojiri, Hiroyuki; Gritsan, Nina P.; Dmitriev, Alexey A.; López-Ortega, Alberto; Rodríguez-Diéguez, Antonio; Seco, José M; Colacio, Enrique","From field-induced to zero-field SMMs associated with open/closed structures of bis(ZnDy) tetranuclear complexes: a combined magnetic, theoretical and optical study.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7971","7984","10.1039/d4dt00148f","","","1.54184","CuKα","","0.0403","0.0389","","","0.0898","0.0905","","","","","","1.106","","","","has coordinates","293107","2024-07-05","16:41:37",""
"7715719","20.934","0.002","22.821","0.002","12.2957","0.0013","90","","90","","90","","5874.1","1","100","2","100","2","","","","","","","","6","P b a 2","P 2 -2ab","32","","Compound3","","- C102 H156 Co2 Dy2 N12 O40 -","- C102 H150 Co2 Dy2 N12 O40 -","- C204 H300 Co4 Dy4 N24 O80 -","2","0.5","","Zabala-Lekuona, Andoni; Lopez de Pariza, Xabier; Díaz-Ortega, Ismael F; Cepeda, Javier; Nojiri, Hiroyuki; Gritsan, Nina P.; Dmitriev, Alexey A.; López-Ortega, Alberto; Rodríguez-Diéguez, Antonio; Seco, José M; Colacio, Enrique","From field-induced to zero-field SMMs associated with open/closed structures of bis(ZnDy) tetranuclear complexes: a combined magnetic, theoretical and optical study.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7971","7984","10.1039/d4dt00148f","","","0.71073","MoKα","","0.0985","0.0678","","","0.1516","0.1714","","","","","","1.128","","","","has coordinates,has disorder","293107","2024-07-05","16:41:37",""
"7715720","22.461","0.0007","11.6306","0.0004","26.5609","0.0009","90","","97.488","0.001","90","","6879.5","0.4","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","Compound1","","- C110 H150 Cl12 Dy4 N14 O48 Zn4 -","- C104 H128 Dy4 N14 O46 Zn4 -","- C208 H256 Dy8 N28 O92 Zn8 -","2","0.5","","Zabala-Lekuona, Andoni; Lopez de Pariza, Xabier; Díaz-Ortega, Ismael F; Cepeda, Javier; Nojiri, Hiroyuki; Gritsan, Nina P.; Dmitriev, Alexey A.; López-Ortega, Alberto; Rodríguez-Diéguez, Antonio; Seco, José M; Colacio, Enrique","From field-induced to zero-field SMMs associated with open/closed structures of bis(ZnDy) tetranuclear complexes: a combined magnetic, theoretical and optical study.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7971","7984","10.1039/d4dt00148f","","","0.71073","MoKα","","0.0424","0.0359","","","0.0754","0.0774","","","","","","1.143","","","","has coordinates,has disorder","293107","2024-07-05","16:41:37",""
"7715721","7.0931","0.0005","7.1791","0.0006","7.9448","0.0006","65.927","0.007","79.774","0.006","85.949","0.006","363.51","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Bis(3-dimethylaminopropylalan)","","- C10 H28 Al2 N2 -","- C10 H28 Al2 N2 -","- C10 H28 Al2 N2 -","1","0.5","","Huster, Niklas; Mullins, Rita; Nolan, Michael; Devi, Anjana","Self-reducing precursors for aluminium metal thin films: evaluation of stable aluminium hydrides for vapor phase aluminium deposition.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7711","7720","10.1039/d4dt00709c","","x-ray","1.54184","CuKα","","0.0249","0.0237","","","0.0633","0.0643","","","","","","1.067","","","","has coordinates","293104","2024-07-05","16:40:02",""
"7715722","17.208","0.008","17.208","0.008","40.485","0.015","90","","90","","120","","10382","8","293","2","293.15","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C114 H132.01 Co12 N12 O51 P6 -","- C114 H132 Co12 N12 O51 P6 -","- C342 H396.001 Co36 N36 O153 P18 -","3","0.166667","","Dan, Wenyan; Chen, Zhenxia; Ling, Yun; Jia, Yu; Yang, Yongtai; Liu, Xiaofeng; Deng, Mingli","Discovery of two predictable (3,18)-connected topologies based on Wells-Dawson type cages for the design of porous metal phosphonocarboxylate frameworks.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7734","7741","10.1039/d4dt00590b","","","0.71073","MoKα","","0.0575","0.0463","","","0.1286","0.1327","","","","","","1.027","","","","has coordinates,has disorder","293101","2024-07-05","16:39:36",""
"7715723","17.07","0.005","17.07","0.005","39.806","0.011","90","","90","","120","","10045","5","296.15","","296.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C84 H76 Co12 O60 P6 -","- C84 H76.0004 Co12 O60 P6 -","- C252 H228.001 Co36 O180 P18 -","3","0.166667","","Dan, Wenyan; Chen, Zhenxia; Ling, Yun; Jia, Yu; Yang, Yongtai; Liu, Xiaofeng; Deng, Mingli","Discovery of two predictable (3,18)-connected topologies based on Wells-Dawson type cages for the design of porous metal phosphonocarboxylate frameworks.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7734","7741","10.1039/d4dt00590b","","","0.71073","MoKα","","0.1889","0.1053","","","0.2877","0.346","","","","","","1.161","","","","has coordinates,has disorder","293101","2024-07-05","16:39:36",""
"7715724","17.417","0.003","17.417","0.003","37.879","0.006","90","","90","","120","","9951","3","296","2","296.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C84 H47 Co12 O44.5 P6 -","- C84 H47.0004 Co12 O44.5 P6 -","- C252 H141.001 Co36 O133.5 P18 -","3","0.166667","","Dan, Wenyan; Chen, Zhenxia; Ling, Yun; Jia, Yu; Yang, Yongtai; Liu, Xiaofeng; Deng, Mingli","Discovery of two predictable (3,18)-connected topologies based on Wells-Dawson type cages for the design of porous metal phosphonocarboxylate frameworks.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7734","7741","10.1039/d4dt00590b","","","0.71073","MoKα","","0.0868","0.0566","","","0.1729","0.1952","","","","","","1.143","","","","has coordinates,has disorder","293101","2024-07-05","16:39:36",""
"7715725","17.1911","0.001","17.1911","0.001","27.1386","0.0015","90","","90","","120","","6945.9","0.7","296","2","296","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C210 H214 Co24 N12 O107 P12 -","- C210 H213.999 Co24 N12 O107 P12 -","- C210 H213.999 Co24 N12 O107 P12 -","1","0.0833333","","Dan, Wenyan; Chen, Zhenxia; Ling, Yun; Jia, Yu; Yang, Yongtai; Liu, Xiaofeng; Deng, Mingli","Discovery of two predictable (3,18)-connected topologies based on Wells-Dawson type cages for the design of porous metal phosphonocarboxylate frameworks.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7734","7741","10.1039/d4dt00590b","","","0.71073","MoKα","","0.0584","0.0483","","","0.1392","0.1496","","","","","","1.024","","","","has coordinates,has disorder","293101","2024-07-05","16:39:36",""
"7715726","17.364","0.006","17.364","0.006","41.589","0.012","90","","90","","120","","10859","6","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C114 H130 Mn12 N12 O50 P6 -","- C114 H130 Mn12 N12 O50 P6 -","- C342 H389.999 Mn36 N36 O150 P18 -","3","0.166667","","Dan, Wenyan; Chen, Zhenxia; Ling, Yun; Jia, Yu; Yang, Yongtai; Liu, Xiaofeng; Deng, Mingli","Discovery of two predictable (3,18)-connected topologies based on Wells-Dawson type cages for the design of porous metal phosphonocarboxylate frameworks.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7734","7741","10.1039/d4dt00590b","","","0.71073","MoKα","","0.1493","0.0774","","","0.1974","0.2312","","","","","","1.03","","","","has coordinates,has disorder","293101","2024-07-05","16:39:36",""
"7715727","17.4015","0.0002","17.4015","0.0002","27.7085","0.0006","90","","90","","120","","7266.4","0.2","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C210 H216 Mn24 N12 O108 P12 -","- C210 H214 Mn24 N12 O107 P12 -","- C210 H214 Mn24 N12 O107 P12 -","1","0.0833333","","Dan, Wenyan; Chen, Zhenxia; Ling, Yun; Jia, Yu; Yang, Yongtai; Liu, Xiaofeng; Deng, Mingli","Discovery of two predictable (3,18)-connected topologies based on Wells-Dawson type cages for the design of porous metal phosphonocarboxylate frameworks.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7734","7741","10.1039/d4dt00590b","","","0.71073","MoKα","","0.059","0.0521","","","0.1461","0.1539","","","","","","0.937","","","","has coordinates,has disorder","293101","2024-07-05","16:39:36",""
"7715728","15.336","0.003","6.707","0.002","13.506","0.002","90","","90","","90","","1389.2","0.5","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C17 H15 B N2 O2 -","- C17 H15 B N2 O2 -","- C68 H60 B4 N8 O8 -","4","0.5","","Wang, Xiaobai; Rüttger, Franziska; Kretsch, Johannes; Kreyenschmidt, Anne; Herbst-Irmer, Regine; Stalke, Dietmar","Boron bis-(4-methylbenzoxazol-2-yl)-methanide complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8264","8268","10.1039/d4dt00522h","","","0.71073","MoKα","","0.0366","0.0348","","","0.0969","0.0992","","","","","","1.046","","","","has coordinates","293052","2024-07-05","16:17:29",""
"7715729","7.935","0.002","6.703","0.002","14.407","0.003","90","","94.76","0.02","90","","763.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C17 H13 B Cl2 N2 O2 -","- C17 H13 B Cl2 N2 O2 -","- C34 H26 B2 Cl4 N4 O4 -","2","0.5","","Wang, Xiaobai; Rüttger, Franziska; Kretsch, Johannes; Kreyenschmidt, Anne; Herbst-Irmer, Regine; Stalke, Dietmar","Boron bis-(4-methylbenzoxazol-2-yl)-methanide complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8264","8268","10.1039/d4dt00522h","","","0.71073","MoKα","","0.0273","0.0262","","","0.0707","0.0716","","","","","","1.032","","","","has coordinates","293052","2024-07-05","16:17:29",""
"7715730","6.877","0.002","14.447","0.003","7.97","0.002","90","","93.81","0.02","90","","790.1","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H13 B Br2 N2 O2 -","- C17 H13 B Br2 N2 O2 -","- C34 H26 B2 Br4 N4 O4 -","2","1","","Wang, Xiaobai; Rüttger, Franziska; Kretsch, Johannes; Kreyenschmidt, Anne; Herbst-Irmer, Regine; Stalke, Dietmar","Boron bis-(4-methylbenzoxazol-2-yl)-methanide complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8264","8268","10.1039/d4dt00522h","","","0.71073","MoKα","","0.0472","0.0354","","","0.0649","0.0686","","","","","","1.057","","","","has coordinates","293052","2024-07-05","16:17:29",""
"7715731","15.378","0.003","6.8","0.002","13.574","0.003","90","","90","","90","","1419.4","0.6","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H13 B F2 N2 O2 -","- C17 H13 B F2 N2 O2 -","- C68 H52 B4 F8 N8 O8 -","4","0.5","","Wang, Xiaobai; Rüttger, Franziska; Kretsch, Johannes; Kreyenschmidt, Anne; Herbst-Irmer, Regine; Stalke, Dietmar","Boron bis-(4-methylbenzoxazol-2-yl)-methanide complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8264","8268","10.1039/d4dt00522h","","","0.71073","MoKα","","0.0389","0.0336","","","0.0892","0.0944","","","","","","1.06","","","","has coordinates","293052","2024-07-05","16:17:29",""
"7715732","11.887","0.002","13.521","0.003","14.79","0.003","74.76","0.03","88.11","0.03","76.4","0.03","2228.2","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H16 F5 N2 O Pt Tl -","- C24 H16 F5 N2 O Pt Tl -","- C96 H64 F20 N8 O4 Pt4 Tl4 -","4","2","","Sadeghian, Mina; Gómez de Segura, David; Golbon Haghighi, Mohsen; Safari, Nasser; Lalinde, Elena; Moreno, M. Teresa","Ladder-like heteropolynuclear assemblies <i>via</i> cyanido bridges and platinum(II)-thallium(I) bonds: structural and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7788","7800","10.1039/d4dt00674g","","x-ray","0.71073","MoKα","","0.0193","0.015","","","0.0296","0.0311","","","","","","1.057","","","","has coordinates","293108","2024-07-05","16:41:52",""
"7715733","12.074","0.0008","12.6188","0.0009","12.9418","0.0009","101.227","0.002","101.332","0.003","98.078","0.003","1863.3","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H32 F28 N8 O1.22 Pt4 Tl4 -","- C76 H32 F28 N8 O1.22 Pt4 Tl4 -","- C76 H32 F28 N8 O1.22 Pt4 Tl4 -","1","0.5","","Sadeghian, Mina; Gómez de Segura, David; Golbon Haghighi, Mohsen; Safari, Nasser; Lalinde, Elena; Moreno, M. Teresa","Ladder-like heteropolynuclear assemblies <i>via</i> cyanido bridges and platinum(II)-thallium(I) bonds: structural and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7788","7800","10.1039/d4dt00674g","","x-ray","0.71076","MoKα","","0.0227","0.0205","","","0.0461","0.0469","","","","","","1.151","","","","has coordinates","293108","2024-07-05","16:41:54",""
"7715734","13.327","0.001","13.909","0.001","34.695","0.001","83.134","0.002","85.235","0.001","61.863","0.001","5627.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","jpd02011","","","- C84 H186 Ge2 Mn O29 Si6 -","- C84 H186 Ge2 Mn O29 Si6 -","- C168 H372 Ge4 Mn2 O58 Si12 -","2","1","","Dombrowski, James P.; Kalendra, Vidmantas; Ziegler, Micah S.; Lakshmi, K. V.; Bell, Alexis T.; Tilley, T. Don","M-Ge-Si thermolytic molecular precursors and models for germanium-doped transition metal sites on silica.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7340","7349","10.1039/d4dt00644e","","","0.71073","MoKα","","0.0789","0.0535","","","0.1107","0.1213","","","","","","1.024","","","","has coordinates,has disorder","291616","2024-05-05","02:43:21",""
"7715735","9.5475","0.0004","13.4409","0.0006","20.5234","0.0008","89.814","0.002","82.779","0.002","77.669","0.002","2551.78","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","jpd20140604","","","- C36 H81 Cl0 Ge O13 Si3 -","- C36 H81 Ge O13 Si3 -","- C72 H162 Ge2 O26 Si6 -","2","1","","Dombrowski, James P.; Kalendra, Vidmantas; Ziegler, Micah S.; Lakshmi, K. V.; Bell, Alexis T.; Tilley, T. Don","M-Ge-Si thermolytic molecular precursors and models for germanium-doped transition metal sites on silica.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7340","7349","10.1039/d4dt00644e","","","0.71073","MoKα","","0.1188","0.0703","","","0.1487","0.1693","","","","","","1.041","","","","has coordinates,has disorder","291616","2024-05-05","02:43:30",""
"7715736","13.4662","0.001","13.4791","0.001","17.9091","0.0013","69.755","0.002","74.533","0.002","61.265","0.001","2654.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","jpd4090","","","- C80 H178 Cr Ge2 O28 Si6 -","- C80 H178 Cr Ge2 O28 Si6 -","- C80 H178 Cr Ge2 O28 Si6 -","1","0.5","","Dombrowski, James P.; Kalendra, Vidmantas; Ziegler, Micah S.; Lakshmi, K. V.; Bell, Alexis T.; Tilley, T. Don","M-Ge-Si thermolytic molecular precursors and models for germanium-doped transition metal sites on silica.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7340","7349","10.1039/d4dt00644e","","","0.71073","MoKα","","0.0617","0.0498","","","0.1204","0.1256","","","","","","1.036","","","","has coordinates,has disorder","291616","2024-05-05","02:43:30",""
"7715737","13.0028","0.0008","13.4308","0.0008","17.3272","0.001","92.082","0.003","110.355","0.003","114.958","0.003","2511.7","0.3","100","2","100","2","","","","","","","","6","P 1","P 1","1","jpd4064","","","- C72 H162 Fe Ge2 O26 Si6 -","- C72 H162 Fe Ge2 O26 Si6 -","- C72 H162 Fe Ge2 O26 Si6 -","1","1","","Dombrowski, James P.; Kalendra, Vidmantas; Ziegler, Micah S.; Lakshmi, K. V.; Bell, Alexis T.; Tilley, T. Don","M-Ge-Si thermolytic molecular precursors and models for germanium-doped transition metal sites on silica.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7340","7349","10.1039/d4dt00644e","","","0.71073","MoKα","","0.0302","0.0269","","","0.0582","0.0595","","","","","","1.057","","","","has coordinates","291616","2024-05-05","02:43:30",""
"7715738","17.545","0.002","17.545","0.002","23.684","0.004","90","","90","","120","","6313.8","1.5","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C42 H48 Co4 N24 O44 P2 W12 -","- C42 Co4 N24 O44.0002 P2 W12 -","- C126 Co12 N72 O132.001 P6 W36 -","3","0.166667","","Zhu, Yinhua; Yan, Pinfang; Xu, Lingtong; Du, Zeyu; Mei, Hua; Xu, Yan","A reduced polyoxometalate-encapsulated organo cobalt modified phosphate framework for improving photocatalytic reduction of CO<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7257","7262","10.1039/d4dt00812j","","","0.71073","MoKα","","0.0708","0.052","","","0.153","0.1692","","","","","","1.069","","","","has coordinates,has disorder","291601","2024-05-05","02:31:45",""
"7715739","8.5833","0.0003","25.7233","0.0008","11.402","0.0003","90","","111.206","0.001","90","","2346.99","0.13","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 N O P -","- C27 H32 N O P -","- C108 H128 N4 O4 P4 -","4","1","","George, Tanner; Masuda, Jason D.","Contrasting a series of bidentate amido phosphine oxide, sulfide, or selenide ligands and complexes of dimethyl aluminum and indium.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8823","8834","10.1039/d4dt00662c","","","0.71073","MoKα","","0.0384","0.0356","","","0.087","0.0888","","","","","","1.081","","","","has coordinates","293100","2024-07-05","16:38:37",""
"7715740","12.3073","0.0003","9.7254","0.0003","20.0034","0.0004","90","","90.131","0.001","90","","2394.27","0.11","125","","125","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H32 N O P -","- C27 H32 N O P -","- C108 H128 N4 O4 P4 -","4","1","","George, Tanner; Masuda, Jason D.","Contrasting a series of bidentate amido phosphine oxide, sulfide, or selenide ligands and complexes of dimethyl aluminum and indium.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8823","8834","10.1039/d4dt00662c","","","0.71073","MoKα","","0.082","0.0488","","","0.1021","0.119","","","","","","1.029","","","","has coordinates,has disorder","293100","2024-07-05","16:38:37",""
"7715741","8.9711","0.0004","23.6926","0.001","12.4579","0.0006","90","","110.367","0.002","90","","2482.4","0.2","125","","125","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 N P S -","- C27 H32 N P S -","- C108 H128 N4 P4 S4 -","4","1","","George, Tanner; Masuda, Jason D.","Contrasting a series of bidentate amido phosphine oxide, sulfide, or selenide ligands and complexes of dimethyl aluminum and indium.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8823","8834","10.1039/d4dt00662c","","","0.71073","MoKα","","0.0354","0.0321","","","0.0903","0.093","","","","","","1.041","","","","has coordinates","293100","2024-07-05","16:38:37",""
"7715742","8.672","0.0005","17.5977","0.0008","18.1245","0.001","90","","95.677","0.002","90","","2752.4","0.3","125","","125","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H37 In N O P -","- C29 H37 In N O P -","- C116 H148 In4 N4 O4 P4 -","4","2","","George, Tanner; Masuda, Jason D.","Contrasting a series of bidentate amido phosphine oxide, sulfide, or selenide ligands and complexes of dimethyl aluminum and indium.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8823","8834","10.1039/d4dt00662c","","","0.71073","MoKα","","0.016","0.0158","","","0.0416","0.0417","","","","","","1.071","","","","has coordinates","293100","2024-07-05","16:38:37",""
"7715743","15.5808","0.0012","16.7471","0.0013","21.2634","0.0018","90","","90","","90","","5548.3","0.8","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H37 Al N P S -","- C29 H37 Al N P S -","- C232 H296 Al8 N8 P8 S8 -","8","1","","George, Tanner; Masuda, Jason D.","Contrasting a series of bidentate amido phosphine oxide, sulfide, or selenide ligands and complexes of dimethyl aluminum and indium.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8823","8834","10.1039/d4dt00662c","","","0.71073","MoKα","","0.0614","0.0383","","","0.0819","0.0982","","","","","","1.123","","","","has coordinates","293100","2024-07-05","16:38:37",""
"7715744","25.7547","0.0014","21.8166","0.0012","17.7353","0.0009","90","","100.061","0.001","90","","9811.9","0.9","125","","125","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 N P Se -","- C27 H32 N P Se -","- C432 H512 N16 P16 Se16 -","16","4","","George, Tanner; Masuda, Jason D.","Contrasting a series of bidentate amido phosphine oxide, sulfide, or selenide ligands and complexes of dimethyl aluminum and indium.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8823","8834","10.1039/d4dt00662c","","","0.71073","MoKα","","0.0899","0.0413","","","0.0787","0.0921","","","","","","1.002","","","","has coordinates","293100","2024-07-05","16:38:37",""
"7715745","15.4976","0.0003","16.8142","0.0004","21.3983","0.0004","90","","90","","90","","5576","0.2","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H37 Al N P Se -","- C29 H37 Al N P Se -","- C232 H296 Al8 N8 P8 Se8 -","8","1","","George, Tanner; Masuda, Jason D.","Contrasting a series of bidentate amido phosphine oxide, sulfide, or selenide ligands and complexes of dimethyl aluminum and indium.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8823","8834","10.1039/d4dt00662c","","","0.71073","MoKα","","0.0398","0.0289","","","0.067","0.071","","","","","","1.033","","","","has coordinates","293100","2024-07-05","16:38:37",""
"7715746","33.496","0.002","10.7213","0.0007","15.6598","0.0011","90","","103.48","0.002","90","","5468.8","0.6","125","","125","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H37 Al N O P -","- C29 H37 Al N O P -","- C232 H296 Al8 N8 O8 P8 -","8","2","","George, Tanner; Masuda, Jason D.","Contrasting a series of bidentate amido phosphine oxide, sulfide, or selenide ligands and complexes of dimethyl aluminum and indium.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8823","8834","10.1039/d4dt00662c","","","0.71073","MoKα","","0.0509","0.0413","","","0.1025","0.1111","","","","","","1.112","","","","has coordinates,has disorder","293100","2024-07-05","16:38:37",""
"7715747","15.6585","0.0002","16.9162","0.0002","21.4668","0.0004","90","","90","","90","","5686.18","0.14","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H37 In N P Se -","- C29 H37 In N P Se -","- C232 H296 In8 N8 P8 Se8 -","8","1","","George, Tanner; Masuda, Jason D.","Contrasting a series of bidentate amido phosphine oxide, sulfide, or selenide ligands and complexes of dimethyl aluminum and indium.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8823","8834","10.1039/d4dt00662c","","","0.71073","MoKα","","0.0165","0.015","","","0.0375","0.0383","","","","","","1.019","","","","has coordinates","293100","2024-07-05","16:38:37",""
"7715748","15.744","0.0007","16.8069","0.0006","21.3702","0.001","90","","90","","90","","5654.7","0.4","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H37 In N P S -","- C29 H37 In N P S -","- C232 H296 In8 N8 P8 S8 -","8","1","","George, Tanner; Masuda, Jason D.","Contrasting a series of bidentate amido phosphine oxide, sulfide, or selenide ligands and complexes of dimethyl aluminum and indium.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8823","8834","10.1039/d4dt00662c","","","0.71073","MoKα","","0.0392","0.0255","","","0.0528","0.0623","","","","","","1.133","","","","has coordinates","293100","2024-07-05","16:38:37",""
"7715749","9.838","0.003","10.549","0.003","13.541","0.004","72.135","0.003","81.392","0.003","85.805","0.003","1321.9","0.7","125","","125","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H37 Al N P -","- C29 H37 Al N P -","- C58 H74 Al2 N2 P2 -","2","1","","George, Tanner; Masuda, Jason D.","Contrasting a series of bidentate amido phosphine oxide, sulfide, or selenide ligands and complexes of dimethyl aluminum and indium.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8823","8834","10.1039/d4dt00662c","","","0.71073","MoKα","","0.0637","0.043","","","0.0885","0.0976","","","","","","1.023","","","","has coordinates","293100","2024-07-05","16:38:37",""
"7715750","13.1361","0.0004","14.1548","0.0005","15.2502","0.0006","90","","99.924","0.001","90","","2793.18","0.17","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H74 In2 N2 O2 P2 -","- C58 H74 In2 N2 O2 P2 -","- C116 H148 In4 N4 O4 P4 -","2","0.5","","George, Tanner; Masuda, Jason D.","Contrasting a series of bidentate amido phosphine oxide, sulfide, or selenide ligands and complexes of dimethyl aluminum and indium.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8823","8834","10.1039/d4dt00662c","","","0.71073","MoKα","","0.0261","0.0239","","","0.0652","0.0677","","","","","","1.112","","","","has coordinates","293100","2024-07-05","16:38:37",""
"7715751","23.8933","0.0004","8.9093","0.0001","10.5529","0.0002","90","","99.058","0.002","90","","2218.41","0.06","190","2","190","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 Cu N4 S4 -","- C21 H21 Cu N4 S4 -","- C84 H84 Cu4 N16 S16 -","4","0.5","","Geoghegan, Blaise L.; Bilyj, Jessica K.; Bernhardt, Paul V.; DeBeer, Serena; Cutsail, 3rd, George E","X-ray absorption and emission spectroscopy of N<sub>2</sub>S<sub>2</sub> Cu(II)/(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7828","7838","10.1039/d4dt00085d","","x-ray","1.54184","CuKα","","0.0619","0.0603","","","0.1658","0.1677","","","","","","1.107","","","","has coordinates","293112","2024-07-05","16:42:37",""
"7715752","46.877","0.009","6.963","0.0014","8.814","0.0018","90","","90","","90","","2876.9","1","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H14 Cu N4 S4 -","- C9 H14 Cu N4 S4 -","- C72 H112 Cu8 N32 S32 -","8","1","","Geoghegan, Blaise L.; Bilyj, Jessica K.; Bernhardt, Paul V.; DeBeer, Serena; Cutsail, 3rd, George E","X-ray absorption and emission spectroscopy of N<sub>2</sub>S<sub>2</sub> Cu(II)/(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7828","7838","10.1039/d4dt00085d","","","0.7108","synchrotron","","0.0582","0.0412","","","0.1015","0.1095","","","","","","1.037","","","","has coordinates","293112","2024-07-05","16:42:37",""
"7715753","12.549","0.0015","21.076","0.003","30.415","0.004","90","","90","","90","","8044.2","1.8","291.81","","291.81","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C300 H266 Fe8 N104 O13 S16 -","- C300 H266 Fe8 N104 O13 S16 -","- C300 H266 Fe8 N104 O13 S16 -","1","0.25","","Wang, Jun-Li; Zhou, Hang-Yue; Zhao, Liang; Meng, Yin-Shan; Liu, Tao","Reversible light-induced spin state switching in a dinuclear Fe(II) spin crossover complex.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7669","7676","10.1039/d3dt02691d","","","0.71073","MoKα","","0.1178","0.0666","","","0.1601","0.1816","","","","","","1.082","","","","has coordinates,has disorder","293116","2024-07-05","16:44:06",""
"7715754","12.3484","0.001","20.7584","0.0016","30.015","0.002","90","","90","","90","","7693.8","1","90","2","89.94","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C75 H68 Fe2 N26 O4 S4 -","- C75 H68 Fe2 N26 O4 S4 -","- C300 H272 Fe8 N104 O16 S16 -","4","1","","Wang, Jun-Li; Zhou, Hang-Yue; Zhao, Liang; Meng, Yin-Shan; Liu, Tao","Reversible light-induced spin state switching in a dinuclear Fe(II) spin crossover complex.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7669","7676","10.1039/d3dt02691d","","","0.71073","MoKα","","0.0966","0.0583","","","0.1086","0.1207","","","","","","1.026","","","","has coordinates,has disorder","293116","2024-07-05","16:44:06",""
"7715755","9.7037","0.0002","14.946","0.0004","16.9881","0.0005","110.305","0.002","101.236","0.002","92.613","0.002","2249.19","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H56 Au2 N4 S2 -","- C50 H56 Au2 N4 S2 -","- C100 H112 Au4 N8 S4 -","2","1","","Ma, Xinyuan; Zhao, Yuan; Caligiuri, Isabella; Rizzolio, Flavio; Bracho Pozsoni, Nestor; Van Hecke, Kristof; Scattolin, Thomas; Nolan, Steven P.","Dinuclear NHC-gold(I)-thiolato and -alkynyl complexes: synthesis, anticancer activity, and catalytic activity in lactonization reactions.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7939","7945","10.1039/d4dt00890a","","x-ray","0.71073","MoKα","","0.0592","0.0384","","","0.0683","0.0767","","","","","","1.027","","","","has coordinates","293110","2024-07-05","16:42:14",""
"7715756","7.165","0.0007","9.216","0.0008","21.1039","0.0018","94.597","0.003","94.082","0.003","93.219","0.003","1382.9","0.2","105","2","105","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 N6 Ni S4 -","- C26 H26 N6 Ni S4 -","- C52 H52 N12 Ni2 S8 -","2","1","","Gao, Yan; Xu, Lei; Feng, Zi-Heng; Qian, Yin; Tian, Zheng-Fang; Ren, Xiao-Ming","Polymorph transformation in a mixed-stacking nickel-dithiolene complex with the derivative of 4,4'-bipyridinium.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8202","8213","10.1039/d4dt00324a","","","0.71073","MoKα","","0.068","0.0447","","","0.1004","0.1116","","","","","","1.034","","","","has coordinates","293049","2024-07-05","16:16:05",""
"7715757","8.864","0.002","8.089","0.002","20.473","0.005","90","","98.664","0.009","90","","1451.2","0.6","296","2","296","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C26 H26 N6 Ni S4 -","- C26 H26 N6 Ni S4 -","- C52 H52 N12 Ni2 S8 -","2","0.5","","Gao, Yan; Xu, Lei; Feng, Zi-Heng; Qian, Yin; Tian, Zheng-Fang; Ren, Xiao-Ming","Polymorph transformation in a mixed-stacking nickel-dithiolene complex with the derivative of 4,4'-bipyridinium.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8202","8213","10.1039/d4dt00324a","","","0.71073","MoKα","","0.1246","0.0538","","","0.0932","0.119","","","","","","1.027","","","","has coordinates","293049","2024-07-05","16:16:06",""
"7715758","21.451","0.004","9.566","0.002","16.916","0.003","90","","95.9","0.03","90","","3452.8","1.2","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Br Fe N O2 P2 Pd -","- C40 H32 Br Fe N O2 P2 Pd -","- C160 H128 Br4 Fe4 N4 O8 P8 Pd4 -","4","1","","Tonon, Giovanni; Mauceri, Matteo; Cavarzerani, Enrico; Piccolo, Rachele; Santo, Claudio; Demitri, Nicola; Orian, Laura; Nogara, Pablo A.; Rocha, João Batista T; Canzonieri, Vincenzo; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Unveiling the promising anticancer activity of palladium(II)-aryl complexes bearing diphosphine ligands: a structure-activity relationship analysis.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8463","8477","10.1039/d4dt00919c","","","0.62","Synchrotron","","0.0853","0.0472","","","0.1157","0.1365","","","","","","1.015","","","","has coordinates","293060","2024-07-05","16:20:13",""
"7715759","10.656","0.002","15.118","0.003","11.73","0.002","90","","95.77","0.03","90","","1880.1","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Cl N2 O2 Pd S -","- C19 H19 Cl N2 O2 Pd S -","- C76 H76 Cl4 N8 O8 Pd4 S4 -","4","1","","Tonon, Giovanni; Mauceri, Matteo; Cavarzerani, Enrico; Piccolo, Rachele; Santo, Claudio; Demitri, Nicola; Orian, Laura; Nogara, Pablo A.; Rocha, João Batista T; Canzonieri, Vincenzo; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Unveiling the promising anticancer activity of palladium(II)-aryl complexes bearing diphosphine ligands: a structure-activity relationship analysis.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8463","8477","10.1039/d4dt00919c","","","0.62","Synchrotron","","0.0221","0.0215","","","0.0623","0.0628","","","","","","1.042","","","","has coordinates","293060","2024-07-05","16:20:13",""
"7715760","10.774","0.002","15.515","0.003","11.805","0.002","90","","95.72","0.03","90","","1963.5","0.6","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Br N2 O2 Pd S -","- C19 H19 Br N2 O2 Pd S -","- C76 H76 Br4 N8 O8 Pd4 S4 -","4","1","","Tonon, Giovanni; Mauceri, Matteo; Cavarzerani, Enrico; Piccolo, Rachele; Santo, Claudio; Demitri, Nicola; Orian, Laura; Nogara, Pablo A.; Rocha, João Batista T; Canzonieri, Vincenzo; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Unveiling the promising anticancer activity of palladium(II)-aryl complexes bearing diphosphine ligands: a structure-activity relationship analysis.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8463","8477","10.1039/d4dt00919c","","","0.62","Synchrotron","","0.035","0.0313","","","0.0861","0.0894","","","","","","1.038","","","","has coordinates","293060","2024-07-05","16:20:13",""
"7715761","21.819","0.004","9.59","0.002","17.302","0.003","90","","106.89","0.03","90","","3464.2","1.3","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Cl Fe N O2 P2 Pd -","- C40 H32 Cl Fe N O2 P2 Pd -","- C160 H128 Cl4 Fe4 N4 O8 P8 Pd4 -","4","1","","Tonon, Giovanni; Mauceri, Matteo; Cavarzerani, Enrico; Piccolo, Rachele; Santo, Claudio; Demitri, Nicola; Orian, Laura; Nogara, Pablo A.; Rocha, João Batista T; Canzonieri, Vincenzo; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Unveiling the promising anticancer activity of palladium(II)-aryl complexes bearing diphosphine ligands: a structure-activity relationship analysis.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8463","8477","10.1039/d4dt00919c","","","0.62","Synchrotron","","0.0347","0.0322","","","0.0947","0.0969","","","","","","1.021","","","","has coordinates","293060","2024-07-05","16:20:13",""
"7715762","21.393","0.004","9.493","0.002","16.865","0.003","90","","95.88","0.03","90","","3407","1.1","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Fe I N O2 P2 Pd -","- C40 H32 Fe I N O2 P2 Pd -","- C160 H128 Fe4 I4 N4 O8 P8 Pd4 -","4","1","","Tonon, Giovanni; Mauceri, Matteo; Cavarzerani, Enrico; Piccolo, Rachele; Santo, Claudio; Demitri, Nicola; Orian, Laura; Nogara, Pablo A.; Rocha, João Batista T; Canzonieri, Vincenzo; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Unveiling the promising anticancer activity of palladium(II)-aryl complexes bearing diphosphine ligands: a structure-activity relationship analysis.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8463","8477","10.1039/d4dt00919c","","","0.62","Synchrotron","","0.0553","0.0473","","","0.1251","0.1294","","","","","","1.112","","","","has coordinates","293060","2024-07-05","16:20:13",""
"7715763","34.741","0.007","10.714","0.002","25.823","0.005","90","","116.48","0.03","90","","8603","4","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C44 H36.75 Cl I N O3.38 P2 Pd -","- C44 H36.75 Cl I N O3.375 P2 Pd -","- C352 H294 Cl8 I8 N8 O27 P16 Pd8 -","8","1","","Tonon, Giovanni; Mauceri, Matteo; Cavarzerani, Enrico; Piccolo, Rachele; Santo, Claudio; Demitri, Nicola; Orian, Laura; Nogara, Pablo A.; Rocha, João Batista T; Canzonieri, Vincenzo; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Unveiling the promising anticancer activity of palladium(II)-aryl complexes bearing diphosphine ligands: a structure-activity relationship analysis.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8463","8477","10.1039/d4dt00919c","","","0.62","Synchrotron","","0.0478","0.0452","","","0.1284","0.1304","","","","","","1.042","","","","has coordinates,has disorder","293060","2024-07-05","16:20:13",""
"7715764","10.072","0.0002","10.7211","0.0003","15.6647","0.0004","80.945","0.002","80.953","0.002","75.907","0.002","1607.63","0.07","220","0.1","220","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H35 Cl N3 O9 Re -","- C32 H35 Cl N3 O9 Re -","- C64 H70 Cl2 N6 O18 Re2 -","2","1","","Feng, Weifang; Xiong, Ying; Zhang, Ping; Li, Minghong; Zhang, Yaping; Li, Fei; Chen, Lin","Bio-inspired bimetallic models for electrochemical CO<sub>2</sub> reduction.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8604","8607","10.1039/d4dt00858h","","x-ray","1.54184","CuKα","","0.0524","0.0489","","","0.1342","0.136","","","","","","1.088","","","","has coordinates","293098","2024-07-05","16:38:00",""
"7715765","10.491","0.0007","15.5099","0.0008","17.3593","0.001","75.118","0.004","72.831","0.005","81.836","0.005","2601.5","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","MR-391","","- C40 H78 Ge2 N12 O S4 -","- C40 H78 Ge2 N12 O S4 -","- C80 H156 Ge4 N24 O2 S8 -","2","1","","Ramachandran, Mridhul R. K.; Karwasara, Surendar; Zhu, Hui; Schnakenburg, Gregor; Streubel, Rainer","Synthesis of tricyclic 1,4-dihydro-1,4-phosphagermines - trying to establish molecular fencing of reactive centers.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7953","7957","10.1039/d4dt00895b","","","1.54186","CuKα","","0.0769","0.0545","","","0.1396","0.1582","","","","","","1.02","","","","has coordinates,has disorder","293109","2024-07-05","16:42:07",""
"7715766","19.4838","0.0007","11.2254","0.0003","30.2357","0.0011","90","","112.7","0.003","90","","6100.7","0.4","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","MR-446","","- C52 H84 Ge2 N12 O P2 S4 -","- C52 H84 Ge2 N12 O P2 S4 -","- C208 H336 Ge8 N48 O4 P8 S16 -","4","0.5","","Ramachandran, Mridhul R. K.; Karwasara, Surendar; Zhu, Hui; Schnakenburg, Gregor; Streubel, Rainer","Synthesis of tricyclic 1,4-dihydro-1,4-phosphagermines - trying to establish molecular fencing of reactive centers.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7953","7957","10.1039/d4dt00895b","","","1.54186","CuKα","","0.0498","0.046","","","0.1228","0.1271","","","","","","1.042","","","","has coordinates","293109","2024-07-05","16:42:07",""
"7715767","8.9922","0.0003","10.9651","0.0003","15.4675","0.0005","87.642","0.003","81.54","0.003","79.789","0.003","1484.44","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","MR-445","","- C24 H46 Ge N7 P S2 -","- C24 H46 Ge N7 P S2 -","- C48 H92 Ge2 N14 P2 S4 -","2","1","","Ramachandran, Mridhul R. K.; Karwasara, Surendar; Zhu, Hui; Schnakenburg, Gregor; Streubel, Rainer","Synthesis of tricyclic 1,4-dihydro-1,4-phosphagermines - trying to establish molecular fencing of reactive centers.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7953","7957","10.1039/d4dt00895b","","","1.54186","CuKα","","0.0697","0.0547","","","0.1473","0.1599","","","","","","1.071","","","","has coordinates","293109","2024-07-05","16:42:07",""
"7715768","10.74459","0.00015","26.597","0.0005","17.9341","0.0003","90","","104.142","0.0011","90","","4969.77","0.15","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","SKARR-8","","- C53 H64 Cl Ge N5 S2 -","- C53 H64 Cl Ge N5 S2 -","- C212 H256 Cl4 Ge4 N20 S8 -","4","1","","Ramachandran, Mridhul R. K.; Karwasara, Surendar; Zhu, Hui; Schnakenburg, Gregor; Streubel, Rainer","Synthesis of tricyclic 1,4-dihydro-1,4-phosphagermines - trying to establish molecular fencing of reactive centers.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7953","7957","10.1039/d4dt00895b","","x-ray","1.54186","CuKα","","0.0335","0.0276","","","0.0678","0.0706","","","","","","1.017","","","","has coordinates","293109","2024-07-05","16:42:07",""
"7715769","13.9471","0.0011","14.1197","0.0013","14.51","0.0012","70.439","0.007","78.468","0.006","66.212","0.007","2456.8","0.4","100","","100.15","","","","","","","","","8","P -1","-P 1","2","","SKARR-18","","- C51 H62 Cl Ge N4 O2 P S2 -","- C51 H62 Cl Ge N4 O2 P S2 -","- C102 H124 Cl2 Ge2 N8 O4 P2 S4 -","2","1","","Ramachandran, Mridhul R. K.; Karwasara, Surendar; Zhu, Hui; Schnakenburg, Gregor; Streubel, Rainer","Synthesis of tricyclic 1,4-dihydro-1,4-phosphagermines - trying to establish molecular fencing of reactive centers.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7953","7957","10.1039/d4dt00895b","","","1.54186","CuKα","","0.3739","0.1397","","","0.3069","0.4121","","","","","","0.924","","","","has coordinates","293109","2024-07-05","16:42:07",""
"7715770","5.00408","0.00014","20.9765","0.0005","23.1586","0.0006","90","","92.49","0.002","90","","2428.62","0.11","99.9","0.3","99.9","0.3","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 B2 -","- C34 H24 B2 -","- C136 H96 B8 -","4","1","","Beckmann, J. Louis; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mitzel, Norbert W.","Bidentate boron Lewis acids: synthesis by tin boron exchange reaction and host-guest complex formation.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7958","7964","10.1039/d4dt00782d","","x-ray","1.54184","CuKα","","0.0458","0.0424","","","0.1116","0.1149","","","","","","1.037","","","","has coordinates","293119","2024-07-05","16:46:31",""
"7715771","12.7646","0.0009","16.0907","0.001","19.4943","0.0013","80.332","0.005","71.304","0.006","69.47","0.006","3544.8","0.4","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C81 H25 B4 F40 -","- C81 H25 B4 F40 -","- C162 H50 B8 F80 -","2","1","","Beckmann, J. Louis; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mitzel, Norbert W.","Bidentate boron Lewis acids: synthesis by tin boron exchange reaction and host-guest complex formation.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7958","7964","10.1039/d4dt00782d","","x-ray","1.54184","CuKα","","0.0807","0.0592","","","0.1479","0.1563","","","","","","0.944","","","","has coordinates","293119","2024-07-05","16:46:31",""
"7715772","10.3734","0.0003","19.5963","0.0005","15.8553","0.0003","90","","102.198","0.002","90","","3150.3","0.14","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H40 B2 N2 -","- C40 H40 B2 N2 -","- C160 H160 B8 N8 -","4","1","","Beckmann, J. Louis; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mitzel, Norbert W.","Bidentate boron Lewis acids: synthesis by tin boron exchange reaction and host-guest complex formation.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7958","7964","10.1039/d4dt00782d","","x-ray","1.54184","CuKα","","0.058","0.0402","","","0.0946","0.1048","","","","","","1.013","","","","has coordinates","293119","2024-07-05","16:46:31",""
"7715773","14.22709","0.00018","15.98244","0.00015","23.7578","0.0002","90","","100.083","0.0011","90","","5318.7","0.1","99.94","0.15","99.94","0.15","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C14 H22 B N -","- C14 H22 B N -","- C224 H352 B16 N16 -","16","2","","Beckmann, J. Louis; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mitzel, Norbert W.","Bidentate boron Lewis acids: synthesis by tin boron exchange reaction and host-guest complex formation.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7958","7964","10.1039/d4dt00782d","","x-ray","1.54184","CuKα","","0.0404","0.0362","","","0.0903","0.0942","","","","","","1.033","","","","has coordinates","293119","2024-07-05","16:46:31",""
"7715774","11.3707","0.0007","12.0641","0.0007","19.7225","0.001","105.644","0.005","96.165","0.005","108.009","0.005","2423.3","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C58 H24 B2 F20 N2 -","- C58 H24 B2 F20 N2 -","- C116 H48 B4 F40 N4 -","2","1","","Beckmann, J. Louis; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mitzel, Norbert W.","Bidentate boron Lewis acids: synthesis by tin boron exchange reaction and host-guest complex formation.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7958","7964","10.1039/d4dt00782d","","x-ray","1.54184","CuKα","","0.1279","0.0632","","","0.1344","0.1731","","","","","","1.004","","","","has coordinates,has disorder","293119","2024-07-05","16:46:31",""
"7715775","19.8509","0.0002","7.70443","0.0001","22.3199","0.0003","90","","96.0176","0.001","90","","3394.79","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H8 B2 F20 -","- C42 H8 B2 F20 -","- C168 H32 B8 F80 -","4","1","","Beckmann, J. Louis; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mitzel, Norbert W.","Bidentate boron Lewis acids: synthesis by tin boron exchange reaction and host-guest complex formation.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7958","7964","10.1039/d4dt00782d","","x-ray","1.54184","CuKα","","0.034","0.0303","","","0.0809","0.0844","","","","","","1.026","","","","has coordinates","293119","2024-07-05","16:46:31",""
"7715776","11.17085","0.00016","18.4947","0.0002","16.5929","0.0002","90","","101.455","0.0014","90","","3359.84","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H34 B2 N2 -","- C44 H34 B2 N2 -","- C176 H136 B8 N8 -","4","2","","Beckmann, J. Louis; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mitzel, Norbert W.","Bidentate boron Lewis acids: synthesis by tin boron exchange reaction and host-guest complex formation.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7958","7964","10.1039/d4dt00782d","","x-ray","1.54184","CuKα","","0.0697","0.0687","","","0.1791","0.18","","","","","","1.13","","","","has coordinates,has disorder","293119","2024-07-05","16:46:31",""
"7715777","9.0213","0.0002","15.658","0.0003","26.842","0.0004","90","","92.696","0.002","90","","3787.38","0.12","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H12 B2 F20 N2 -","- C46 H12 B2 F20 N2 -","- C184 H48 B8 F80 N8 -","4","1","","Beckmann, J. Louis; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mitzel, Norbert W.","Bidentate boron Lewis acids: synthesis by tin boron exchange reaction and host-guest complex formation.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7958","7964","10.1039/d4dt00782d","","x-ray","1.54184","CuKα","","0.0496","0.039","","","0.0956","0.1022","","","","","","1.027","","","","has coordinates","293119","2024-07-05","16:46:31",""
"7715778","10.5387","0.0001","20.1073","0.0002","14.4086","0.0002","90","","103.08","0.002","90","","2974.04","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H38 B2 N2 -","- C36 H38 B2 N2 -","- C144 H152 B8 N8 -","4","1","","Beckmann, J. Louis; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mitzel, Norbert W.","Bidentate boron Lewis acids: synthesis by tin boron exchange reaction and host-guest complex formation.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7958","7964","10.1039/d4dt00782d","","x-ray","1.54184","CuKα","","0.0473","0.0412","","","0.1067","0.1114","","","","","","1.042","","","","has coordinates","293119","2024-07-05","16:46:31",""
"7715779","11.8738","0.0004","13.8926","0.0004","23.7305","0.0008","90","","90","","90","","3914.5","0.2","100.01","0.1","100.01","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H32 B N -","- C22 H32 B N -","- C176 H256 B8 N8 -","8","1","","Beckmann, J. Louis; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mitzel, Norbert W.","Bidentate boron Lewis acids: synthesis by tin boron exchange reaction and host-guest complex formation.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7958","7964","10.1039/d4dt00782d","","x-ray","0.71073","MoKα","","0.0713","0.0521","","","0.133","0.1443","","","","","","1.038","","","","has coordinates","293119","2024-07-05","16:46:31",""
"7715780","7.74992","0.00015","10.6301","0.0002","17.3419","0.0004","95.5219","0.0016","95.4644","0.0016","94.6077","0.0016","1409.79","0.05","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H44 B2 N2 -","- C32 H44 B2 N2 -","- C64 H88 B4 N4 -","2","1","","Beckmann, J. Louis; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mitzel, Norbert W.","Bidentate boron Lewis acids: synthesis by tin boron exchange reaction and host-guest complex formation.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7958","7964","10.1039/d4dt00782d","","x-ray","1.54184","CuKα","","0.0342","0.0301","","","0.085","0.0869","","","","","","1.0601","","","","has coordinates","293119","2024-07-05","16:46:31",""
"7715781","11.8924","0.0003","16.8358","0.0003","16.0803","0.0003","90","","110.959","0.002","90","","3006.55","0.12","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 B2 N2 -","- C36 H38 B2 N2 -","- C144 H152 B8 N8 -","4","1","","Beckmann, J. Louis; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mitzel, Norbert W.","Bidentate boron Lewis acids: synthesis by tin boron exchange reaction and host-guest complex formation.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7958","7964","10.1039/d4dt00782d","","x-ray","0.71073","MoKα","","0.0545","0.0347","","","0.068","0.0751","","","","","","1.0827","","","","has coordinates","293119","2024-07-05","16:46:31",""
"7715782","46.5377","0.0008","19.7134","0.0004","14.1518","0.0002","90","","114.724","0.002","90","","11793","0.4","153","","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C128 H160 Ce N16 O16 -","- C128 H160 Ce N16 O16 -","- C512 H640 Ce4 N64 O64 -","4","0.5","","Kobayashi, Kana; Suzuki, Michiyuki; Sato, Tetsu; Horii, Yoji; Yoshida, Takefumi; Breedlove, Brian K.; Yamashita, Masahiro; Katoh, Keiichi","Spin dynamics phenomena of a cerium(III) double-decker complex induced by intramolecular electron transfer.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11664","11677","10.1039/d4dt00436a","","","0.71073","MoKα","","0.0557","0.0445","","","0.0973","0.1019","","","","","","1.1","","","","has coordinates,has disorder","293826","2024-08-05","18:50:01",""
"7715783","33.8407","0.0003","11.2636","0.0001","36.7134","0.0004","90","","95.286","0.001","90","","13934.5","0.2","233","","233","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C144 H196 Ce N17 O16 -","- C144.008 H196.018 Ce N17 O16 -","- C576.032 H784.072 Ce4 N68 O64 -","4","0.5","","Kobayashi, Kana; Suzuki, Michiyuki; Sato, Tetsu; Horii, Yoji; Yoshida, Takefumi; Breedlove, Brian K.; Yamashita, Masahiro; Katoh, Keiichi","Spin dynamics phenomena of a cerium(III) double-decker complex induced by intramolecular electron transfer.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11664","11677","10.1039/d4dt00436a","","","0.71073","MoKα","","0.041","0.0368","","","0.0957","0.0987","","","","","","1.079","","","","has coordinates,has disorder","293826","2024-08-05","18:50:02",""
"7715784","8.0483","0.0002","8.0483","0.0002","23.8037","0.0005","90","","90","","120","","1335.31","0.05","299.98","0.1","299.98","0.1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C4 H12 Cl N O7 -","- C4 H11.9997 Cl N O7 -","- C24 H71.9982 Cl6 N6 O42 -","6","0.333333","","Zhou, Feng; Weng, Yan-Ran; Shi, Yu; Yu, Yun-Hui; Lu, Dan; Yu, Yong; She, Jia-Zi; Ai, Yong","Plastic phase transitions in tris(hydroxymethyl)aminomethane perchlorate.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7965","7970","10.1039/d4dt00791c","","x-ray","1.54184","CuKα","","0.0548","0.0547","","","0.1439","0.1439","","","","","","1.065","","","","has coordinates,has disorder","293111","2024-07-05","16:42:20",""
"7715785","12.7752","0.0008","10.7048","0.0007","24.3576","0.0016","90","","90","","90","","3331","0.4","220","2","220","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C34 H28 F2 Fe N12 O2 -","- C34 H28 F2 Fe N12 O2 -","- C136 H112 F8 Fe4 N48 O8 -","4","0.5","","Seredyuk, Maksym; Znovjyak, Kateryna; Valverde-Muñoz, Francisco Javier; Muñoz, M Carmen; Fritsky, Igor O.; Real, José Antonio","Rotational order-disorder and spin crossover behaviour in a neutral iron(II) complex based on asymmetrically substituted large planar ionogenic ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","8041","8049","10.1039/d4dt00368c","","","0.71073","MoKα","","0.1149","0.0703","","","0.1626","0.1929","","","","","","1.105","","","","has coordinates","293102","2024-07-05","16:39:45",""
"7715786","13.05","0.02","10.401","0.018","25.06","0.04","90","","90","","90","","3401","10","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C34 H28 F2 Fe N12 O2 -","- C34 H28 F2 Fe N12 O2 -","- C136 H112 F8 Fe4 N48 O8 -","4","0.5","","Seredyuk, Maksym; Znovjyak, Kateryna; Valverde-Muñoz, Francisco Javier; Muñoz, M Carmen; Fritsky, Igor O.; Real, José Antonio","Rotational order-disorder and spin crossover behaviour in a neutral iron(II) complex based on asymmetrically substituted large planar ionogenic ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","8041","8049","10.1039/d4dt00368c","","","0.71073","MoKα","","0.152","0.0624","","","0.1477","0.2283","","","","","","1.085","","","","has coordinates,has disorder","293102","2024-07-05","16:39:45",""
"7715787","8.134","0.0002","11.6466","0.0003","17.0711","0.0004","90","","101.914","0.001","90","","1582.37","0.07","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cl N O Pd S -","- C16 H16 Cl N O Pd S -","- C64 H64 Cl4 N4 O4 Pd4 S4 -","4","1","","Reigosa, Francisco; Polo, Paula M.; Pereira, M. Teresa; Vila, José M","Reactivity of Schiff base-[C,N,S] pincer palladacycles: hydrolysis renders singular trinuclear, tetranuclear, and heteropentanuclear Pd<sub>3</sub>W<sub>2</sub> coordinated complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9680","9691","10.1039/d4dt00756e","","","0.71073","MoKα","","0.0312","0.0232","","","0.051","0.0547","","","","","","1.0366","","","","has coordinates","293127","2024-07-05","16:52:09",""
"7715788","10.8665","0.0013","12.0797","0.0014","19.07","0.002","72.291","0.007","89.037","0.007","78.172","0.007","2331.2","0.5","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C78 H66 Cl2 N2 O22 P4 Pd3 S2 W2 -","- C78 H66 Cl2 N2 O22 P4 Pd3 S2 W2 -","- C78 H66 Cl2 N2 O22 P4 Pd3 S2 W2 -","1","0.5","","Reigosa, Francisco; Polo, Paula M.; Pereira, M. Teresa; Vila, José M","Reactivity of Schiff base-[C,N,S] pincer palladacycles: hydrolysis renders singular trinuclear, tetranuclear, and heteropentanuclear Pd<sub>3</sub>W<sub>2</sub> coordinated complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9680","9691","10.1039/d4dt00756e","","","0.71073","MoKα","","0.113","0.0762","","","0.154","0.1649","","","","","","1.087","","","","has coordinates,has disorder","293127","2024-07-05","16:52:09",""
"7715789","11.6987","0.0006","15.0875","0.0008","18.3377","0.0009","105.262","0.003","104.871","0.003","107.653","0.004","2769","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H20 Cl4 N2 O6 Pd2 S2 -","- C17 H20 Cl4 N2 O6 Pd2 S2 -","- C68 H80 Cl16 N8 O24 Pd8 S8 -","4","2","","Reigosa, Francisco; Polo, Paula M.; Pereira, M. Teresa; Vila, José M","Reactivity of Schiff base-[C,N,S] pincer palladacycles: hydrolysis renders singular trinuclear, tetranuclear, and heteropentanuclear Pd<sub>3</sub>W<sub>2</sub> coordinated complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9680","9691","10.1039/d4dt00756e","","","1.54178","CuKα","","0.1213","0.0676","","","0.1638","0.2051","","","","","","1.0204","","","","has coordinates","293127","2024-07-05","16:52:09",""
"7715790","9.6057","0.0005","19.0596","0.001","19.8471","0.0011","90","","91.4728","0.0017","90","","3632.4","0.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 Cl3 N3 O2 Pd3 S5 -","- C25 H36 Cl3 N3 O2 Pd3 S5 -","- C100 H144 Cl12 N12 O8 Pd12 S20 -","4","1","","Reigosa, Francisco; Polo, Paula M.; Pereira, M. Teresa; Vila, José M","Reactivity of Schiff base-[C,N,S] pincer palladacycles: hydrolysis renders singular trinuclear, tetranuclear, and heteropentanuclear Pd<sub>3</sub>W<sub>2</sub> coordinated complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9680","9691","10.1039/d4dt00756e","","","0.71073","MoKα","","0.037","0.0328","","","0.0737","0.0764","","","","","","1.0503","","","","has coordinates,has disorder","293127","2024-07-05","16:52:09",""
"7715791","10.6947","0.0008","22.085","0.0016","40.285","0.003","90","","90","","90","","9515","1.2","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H35 Cl13 N4 Pd4 S4 -","- C31 H35 Cl13 N4 Pd4 S4 -","- C248 H280 Cl104 N32 Pd32 S32 -","8","1","","Reigosa, Francisco; Polo, Paula M.; Pereira, M. Teresa; Vila, José M","Reactivity of Schiff base-[C,N,S] pincer palladacycles: hydrolysis renders singular trinuclear, tetranuclear, and heteropentanuclear Pd<sub>3</sub>W<sub>2</sub> coordinated complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9680","9691","10.1039/d4dt00756e","","","0.71073","MoKα","","0.0832","0.0727","","","0.1326","0.1378","","","","","","1.0448","","","","has coordinates,has disorder","293127","2024-07-05","16:52:09",""
"7715792","9.1342","0.0009","12.9011","0.0012","19.4966","0.0019","88.497","0.001","87.249","0.001","78.835","0.001","2251.1","0.4","99.98","","99.98","","","","","","","","","7","P -1","-P 1","2","","","","- C45 H58 Cl2 Cu F6 N2 Sb -","- C45 H58 Cl2 Cu F6 N2 Sb -","- C90 H116 Cl4 Cu2 F12 N4 Sb2 -","2","1","","Karade, Deepika V.; Phan, Vo Quang Huy; Dias, H. V. Rasika","Coinage metal-ethylene complexes of sterically demanding 1,10-phenanthroline ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10426","10433","10.1039/d4dt00822g","","x-ray","0.71073","MoKα","K-L~3~","0.0688","0.053","","","0.1525","0.165","","","","","","1.046","","","","has coordinates,has disorder","293067","2024-07-05","16:24:21",""
"7715793","12.259","0.004","24.606","0.009","15.7","0.006","90","","99.591","0.005","90","","4670","3","100.28","","100.28","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H56 Ag F6 N2 Sb -","- C44 H56 Ag F6 N2 Sb -","- C176 H224 Ag4 F24 N8 Sb4 -","4","0.5","","Karade, Deepika V.; Phan, Vo Quang Huy; Dias, H. V. Rasika","Coinage metal-ethylene complexes of sterically demanding 1,10-phenanthroline ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10426","10433","10.1039/d4dt00822g","","x-ray","0.71073","MoKα","K-L~3~","0.0405","0.0305","","","0.0687","0.0724","","","","","","1.06","","","","has coordinates,has disorder","293067","2024-07-05","16:24:23",""
"7715794","14.4451","0.0004","14.7271","0.0004","17.4381","0.0004","79.732","0.001","73.29","0.001","79.61","0.001","3463.17","0.16","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C65 H28 B Cl2 Cu F42 N2 -","- C65 H28 B Cl2 Cu F42 N2 -","- C130 H56 B2 Cl4 Cu2 F84 N4 -","2","1","","Karade, Deepika V.; Phan, Vo Quang Huy; Dias, H. V. Rasika","Coinage metal-ethylene complexes of sterically demanding 1,10-phenanthroline ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10426","10433","10.1039/d4dt00822g","","x-ray","0.71073","MoKα","K-L~3~","0.0558","0.0473","","","0.1255","0.1306","","","","","","1.042","","","","has coordinates,has disorder","293067","2024-07-05","16:24:27",""
"7715795","30.8326","0.0008","22.8905","0.0006","13.0504","0.0003","90","","90","","90","","9210.6","0.4","100","","100","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C45 H58 Au Cl2 F6 N2 Sb -","- C45 H58 Au Cl2 F6 N2 Sb -","- C360 H464 Au8 Cl16 F48 N16 Sb8 -","8","2","","Karade, Deepika V.; Phan, Vo Quang Huy; Dias, H. V. Rasika","Coinage metal-ethylene complexes of sterically demanding 1,10-phenanthroline ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10426","10433","10.1039/d4dt00822g","","x-ray","0.71073","MoKα","K-L~3~","0.0237","0.0216","","","0.0439","0.0444","","","","","","1.045","","","","has coordinates","293067","2024-07-05","16:24:27",""
"7715796","17.524","0.0013","17.524","0.0013","23.496","0.0017","90","","90","","90","","7215.4","0.9","102","","102","","","","","","","","","8","P 42/n :2","-P 4bc","86","","","","- C54 H57.6 B4 Cl8 Dy2 N24 O5.8 S2 -","- C54 H54 B4 Cl8 Dy2 N24 O4 S2 -","- C216 H216 B16 Cl32 Dy8 N96 O16 S8 -","4","0.5","","Manna, Fabio; Oggianu, Mariangela; Galán-Mascarós, José Ramón; Pop, Flavia; Le Guennic, Boris; Mercuri, Maria Laura; Avarvari, Narcis","Tuning the slow magnetic relaxation with the substituents in anilate bridged bis(dysprosium) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8369","8381","10.1039/d4dt00175c","","","0.71073","MoKα","","0.0435","0.0307","","","0.0691","0.0761","","","","","","1.029","","","","has coordinates","293064","2024-07-05","16:23:04",""
"7715797","14.064","0.0009","14.9703","0.0009","14.7616","0.0009","90","","107.819","0.002","90","","2958.8","0.3","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H44 B4 Cl5 Dy2 N25 O4 -","- C45 H44 B4 Cl5 Dy2 N25 O4 -","- C90 H88 B8 Cl10 Dy4 N50 O8 -","2","0.5","","Manna, Fabio; Oggianu, Mariangela; Galán-Mascarós, José Ramón; Pop, Flavia; Le Guennic, Boris; Mercuri, Maria Laura; Avarvari, Narcis","Tuning the slow magnetic relaxation with the substituents in anilate bridged bis(dysprosium) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8369","8381","10.1039/d4dt00175c","","","0.71073","MoKα","","0.059","0.0328","","","0.0743","0.0885","","","","","","1.08","","","","has coordinates,has disorder","293064","2024-07-05","16:23:12",""
"7715798","4.7884","0.0002","9.0172","0.0004","9.5801","0.0004","90","","90","","90","","413.65","0.03","423","2","423","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- F K Mn O4 P -","- F K Mn O4 P -","- F4 K4 Mn4 O16 P4 -","4","1","","Yakubovich, Olga V.; Shvanskaya, Larisa V.; Kiriukhina, Galina V.; Simonov, Sergei; Volkov, Anatoliy S.; Dimitrova, Olga V.; Korolev, Vladimir V.; Ovchenkov, Yevgeniy A.; Vasiliev, Alexander N.","Crystal structure of KMnPO<sub>4</sub>F with short- and long-range order inside the layered magnetic system.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","9216","9223","10.1039/d4dt00878b","","","0.71073","MoKα","","0.0241","0.0238","","","0.0652","0.0653","","","","","","1.262","","","","has coordinates","293141","2024-07-05","16:57:34",""
"7715799","23.4724","0.0019","11.9908","0.0009","18.9429","0.0014","90","","93.343","0.003","90","","5322.5","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H90 Ga5 N5 Ru -","- C45 H90 Ga5 N5 Ru -","- C180 H360 Ga20 N20 Ru4 -","4","0.5","","Bühler, Raphael; Weininger, Richard J. J.; Stephan, Johannes; Muhr, Maximilian; Bock, Balasai M.-T.; Gemel, Christian; Fischer, Roland A.","Homoleptic hexa- and penta-coordinated gallium(I) amide complexes of ruthenium and molybdenum.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17162","17168","10.1039/d4dt00823e","","x-ray","0.71073","MoKα","","0.0745","0.0562","","","0.0928","0.0989","","","","","","1.154","","","","has coordinates,has disorder","296537","2024-12-06","18:31:45",""
"7715800","26.9295","0.0018","21.903","0.0015","24.226","0.0015","90","","116.221","0.002","90","","12819","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H108 Ga6 Mo N6 -","- C54 H108 Ga6 Mo N6 -","- C432 H864 Ga48 Mo8 N48 -","8","2","","Bühler, Raphael; Weininger, Richard J. J.; Stephan, Johannes; Muhr, Maximilian; Bock, Balasai M.-T.; Gemel, Christian; Fischer, Roland A.","Homoleptic hexa- and penta-coordinated gallium(I) amide complexes of ruthenium and molybdenum.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17162","17168","10.1039/d4dt00823e","","x-ray","0.71073","MoKα","","0.0255","0.0198","","","0.0441","0.0466","","","","","","1.028","","","","has coordinates,has disorder","296537","2024-12-06","18:31:46",""
"7715801","14.6087","0.001","19.6278","0.0013","20.8238","0.0016","90","","100.797","0.003","90","","5865.2","0.7","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H46 F9 O8 P2 S3 Yb -","- C64 H46 F9 O8 P2 S3 Yb -","- C256 H184 F36 O32 P8 S12 Yb4 -","4","1","","Flichot, Hadrien; Sickinger, Annika; Brom, Jules; Lefeuvre, Bertrand; Dorcet, Vincent; Guizouarn, Thierry; Cador, Olivier; Le Guennic, Boris; Micouin, Laurent; Maury, Olivier; Benedetti, Erica; Pointillart, Fabrice","Magneto-structural correlation in lanthanide luminescent [2.2]paracyclophane-based single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8191","8201","10.1039/d4dt00536h","","x-ray","0.71073","MoKα","","0.0628","0.0458","","","0.1075","0.1174","","","","","","1.024","","","","has coordinates,has disorder","293053","2024-07-05","16:17:53",""
"7715802","29.5507","0.0006","29.5507","","26.1095","0.0006","90","","90","","90","","22800","0.7","150","2","150","2","","","","","","","synthesis as described","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C58 H38 F18 O8 P2 Yb -","- C58 H38 F18 O8 P2 Yb -","- C928 H608 F288 O128 P32 Yb16 -","16","0.5","","Flichot, Hadrien; Sickinger, Annika; Brom, Jules; Lefeuvre, Bertrand; Dorcet, Vincent; Guizouarn, Thierry; Cador, Olivier; Le Guennic, Boris; Micouin, Laurent; Maury, Olivier; Benedetti, Erica; Pointillart, Fabrice","Magneto-structural correlation in lanthanide luminescent [2.2]paracyclophane-based single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8191","8201","10.1039/d4dt00536h","","x-ray","0.71073","MoKα","","0.0813","0.071","","","0.1982","0.2057","","","","","","1.087","","","","has coordinates,has disorder","293053","2024-07-05","16:17:54",""
"7715803","14.0066","0.0011","19.4597","0.0017","20.4412","0.0018","90","","92.335","0.003","90","","5566.9","0.8","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H37 Dy F18 O8 P2 -","- C55 H37 Dy F18 O8 P2 -","- C220 H148 Dy4 F72 O32 P8 -","4","1","","Flichot, Hadrien; Sickinger, Annika; Brom, Jules; Lefeuvre, Bertrand; Dorcet, Vincent; Guizouarn, Thierry; Cador, Olivier; Le Guennic, Boris; Micouin, Laurent; Maury, Olivier; Benedetti, Erica; Pointillart, Fabrice","Magneto-structural correlation in lanthanide luminescent [2.2]paracyclophane-based single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8191","8201","10.1039/d4dt00536h","","x-ray","0.71073","MoKα","","0.0576","0.0493","","","0.1253","0.1334","","","","","","1.057","","","","has coordinates,has disorder","293053","2024-07-05","16:17:54",""
"7715804","14.622","0.0015","19.582","0.002","20.966","0.003","90","","101.049","0.004","90","","5891.9","1.2","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H46 Dy F9 O8 P2 S3 -","- C64 H46 Dy F9 O8 P2 S3 -","- C256 H184 Dy4 F36 O32 P8 S12 -","4","1","","Flichot, Hadrien; Sickinger, Annika; Brom, Jules; Lefeuvre, Bertrand; Dorcet, Vincent; Guizouarn, Thierry; Cador, Olivier; Le Guennic, Boris; Micouin, Laurent; Maury, Olivier; Benedetti, Erica; Pointillart, Fabrice","Magneto-structural correlation in lanthanide luminescent [2.2]paracyclophane-based single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8191","8201","10.1039/d4dt00536h","","x-ray","0.71073","MoKα","","0.0837","0.056","","","0.1096","0.1208","","","","","","1.06","","","","has coordinates,has disorder","293053","2024-07-05","16:17:54",""
"7715805","13.426","0.005","21.081","0.007","27.045","0.01","85.259","0.01","84.05","0.01","78.874","0.009","7455","5","150","2","150","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C142 H85 B Dy2 F60 Na O16 P4 -","- C142 H85 B Dy2 F60 Na O16 P4 -","- C284 H170 B2 Dy4 F120 Na2 O32 P8 -","2","1","","Flichot, Hadrien; Sickinger, Annika; Brom, Jules; Lefeuvre, Bertrand; Dorcet, Vincent; Guizouarn, Thierry; Cador, Olivier; Le Guennic, Boris; Micouin, Laurent; Maury, Olivier; Benedetti, Erica; Pointillart, Fabrice","Magneto-structural correlation in lanthanide luminescent [2.2]paracyclophane-based single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8191","8201","10.1039/d4dt00536h","","x-ray","0.71073","MoKα","","0.3052","0.2031","","","0.4421","0.5036","","","","","","1.079","","","","has coordinates,has disorder","293053","2024-07-05","16:17:54",""
"7715806","8.8728","0.0009","10.609","0.0011","12.3959","0.0014","73.308","0.004","73.136","0.004","88.997","0.004","1066.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Cl N5 Pd -","- C24 H18 Cl N5 Pd -","- C48 H36 Cl2 N10 Pd2 -","2","1","","Kumar Chaudhary, Virendra; Kukreti, Prashant; Sharma, Keshav; Kumar, Kapil; Singh, Sain; Kumari, Sheela; Ghosh, Kaushik","A sustainable strategic approach for <i>N</i>-alkylation of amines with activation of alcohols triggered <i>via</i> a hydrogen auto-transfer reaction using a Pd(II) complex: evidence for metal-ligand cooperativity.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8740","8749","10.1039/d4dt00864b","","","0.71073","MoKα","","0.0207","0.0187","","","0.0466","0.0481","","","","","","1.089","","","","has coordinates","293091","2024-07-05","16:35:59",""
"7715807","12.17","0.001","12.17","0.001","12.17","0.001","90","","90","","90","","1802.5","0.3","293","","293","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Li8GeAs4","","- As4 Ge Li8 -","- As4 Ge Li8.0001 -","- As32 Ge8 Li64.0008 -","8","0.333333","","Schmid, Martin; Wegner, Florian; De Giorgi, Claudia; Pielnhofer, Florian; Pfitzner, Arno","The cubic structure of Li<sub>3</sub>As stabilized by substitution - Li<sub>8</sub>TtAs<sub>4</sub> (Tt = Si, Ge) and Li<sub>14</sub>TtAs<sub>6</sub> (Tt = Si, Ge, Sn) and their lithium ion conductivity.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11257","11263","10.1039/d4dt00664j","powder diffraction","x-ray","1.5406","CuKα1","","0.0269","0.0165","","0.0224","0.0205","","","","1.07","","","","","","","has coordinates","293851","2024-08-05","19:01:32",""
"7715808","6.131","0.001","6.131","0.001","6.131","0.001","90","","90","","90","","230.46","0.07","293","","293","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Li14SiAs6","","- As4 Li9.33 Si0.67 -","- As4 Li9.3336 Si0.6664 -","- As4 Li9.3336 Si0.6664 -","1","0.00520833","","Schmid, Martin; Wegner, Florian; De Giorgi, Claudia; Pielnhofer, Florian; Pfitzner, Arno","The cubic structure of Li<sub>3</sub>As stabilized by substitution - Li<sub>8</sub>TtAs<sub>4</sub> (Tt = Si, Ge) and Li<sub>14</sub>TtAs<sub>6</sub> (Tt = Si, Ge, Sn) and their lithium ion conductivity.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11257","11263","10.1039/d4dt00664j","powder diffraction","x-ray","1.5406","CuKα1","","0.0124","0.0124","","0.0166","0.0166","","","","1.66","","","","","","","has coordinates","293851","2024-08-05","19:01:33",""
"7715809","6.193","0.001","6.193","0.001","6.193","0.001","90","","90","","90","","237.52","0.07","293","","293","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Li14SnAs6","","- As4 Li9.33 Sn0.67 -","- As4 Li9.3336 Sn0.6664 -","- As4 Li9.3336 Sn0.6664 -","1","0.00520833","","Schmid, Martin; Wegner, Florian; De Giorgi, Claudia; Pielnhofer, Florian; Pfitzner, Arno","The cubic structure of Li<sub>3</sub>As stabilized by substitution - Li<sub>8</sub>TtAs<sub>4</sub> (Tt = Si, Ge) and Li<sub>14</sub>TtAs<sub>6</sub> (Tt = Si, Ge, Sn) and their lithium ion conductivity.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11257","11263","10.1039/d4dt00664j","powder diffraction","x-ray","1.5406","CuKα1","","0.0137","0.0137","","0.0174","0.0174","","","","1.42","","","","","","","has coordinates","293851","2024-08-05","19:01:33",""
"7715810","12.096","0.001","12.096","0.001","12.096","0.001","90","","90","","90","","1769.8","0.3","293","","293","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Li8SiAs4","","- As4 Li8 Si -","- As4 Li8.0001 Si -","- As32 Li64.0008 Si8 -","8","0.333333","","Schmid, Martin; Wegner, Florian; De Giorgi, Claudia; Pielnhofer, Florian; Pfitzner, Arno","The cubic structure of Li<sub>3</sub>As stabilized by substitution - Li<sub>8</sub>TtAs<sub>4</sub> (Tt = Si, Ge) and Li<sub>14</sub>TtAs<sub>6</sub> (Tt = Si, Ge, Sn) and their lithium ion conductivity.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11257","11263","10.1039/d4dt00664j","powder diffraction","x-ray","1.5406","CuKα1","","0.0229","0.0169","","0.0236","0.0222","","","","1.09","","","","","","","has coordinates","293851","2024-08-05","19:01:33",""
"7715811","7.4622","0.0003","13.4258","0.0006","14.0208","0.0005","95.0903","0.0012","92.7699","0.0012","93.8097","0.0012","1393.98","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 Fe N6 Se2 -","- C28 H26 Fe N6 Se2 -","- C56 H52 Fe2 N12 Se4 -","2","1","","Dou, Di-Yu; Qi, Da-Fan; Zhao, Tian-Yuan; Zheng, Peng-Xuan; Bao, Xin","Design and characterization of Fe(II) complexes with tetradentate ligands exhibiting spin-crossover near room temperature.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8619","8625","10.1039/d4dt00460d","","","0.71073","MoKα","","0.0634","0.039","","","0.0803","0.0882","","","","","","1.033","","","","has coordinates","293092","2024-07-05","16:36:20",""
"7715812","13.5008","0.0018","24.067","0.003","8.0492","0.0011","90","","90","","90","","2615.4","0.6","123","2","123.15","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C28 H26 Fe N6 Se2 -","- C28 H26 Fe N6 Se2 -","- C112 H104 Fe4 N24 Se8 -","4","0.5","","Dou, Di-Yu; Qi, Da-Fan; Zhao, Tian-Yuan; Zheng, Peng-Xuan; Bao, Xin","Design and characterization of Fe(II) complexes with tetradentate ligands exhibiting spin-crossover near room temperature.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8619","8625","10.1039/d4dt00460d","","","0.71073","MoKα","","0.0364","0.0272","","","0.0477","0.0496","","","","","","1.044","","","","has coordinates","293092","2024-07-05","16:36:20",""
"7715813","13.6833","0.0012","24.3553","0.0019","8.2423","0.0007","90","","90","","90","","2746.8","0.4","298","","298","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C28 H26 Fe N6 Se2 -","- C28 H26 Fe N6 Se2 -","- C112 H104 Fe4 N24 Se8 -","4","0.5","","Dou, Di-Yu; Qi, Da-Fan; Zhao, Tian-Yuan; Zheng, Peng-Xuan; Bao, Xin","Design and characterization of Fe(II) complexes with tetradentate ligands exhibiting spin-crossover near room temperature.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8619","8625","10.1039/d4dt00460d","","","0.71073","MoKα","","0.0919","0.0409","","","0.0596","0.0684","","","","","","1.01","","","","has coordinates","293092","2024-07-05","16:36:20",""
"7715814","7.2699","0.0004","13.4476","0.0007","13.6246","0.0007","94.7632","0.0015","93.6896","0.0015","93.9047","0.0016","1321.01","0.12","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 Fe N6 Se2 -","- C28 H26 Fe N6 Se2 -","- C56 H52 Fe2 N12 Se4 -","2","1","","Dou, Di-Yu; Qi, Da-Fan; Zhao, Tian-Yuan; Zheng, Peng-Xuan; Bao, Xin","Design and characterization of Fe(II) complexes with tetradentate ligands exhibiting spin-crossover near room temperature.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8619","8625","10.1039/d4dt00460d","","","0.71073","MoKα","","0.0267","0.0223","","","0.0527","0.0545","","","","","","1.024","","","","has coordinates","293092","2024-07-05","16:36:20",""
"7715815","5.0408","0.0004","16.6643","0.0013","19.8837","0.0018","90","","90","","90","","1670.3","0.2","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 N4 -","- C21 H18 N4 -","- C84 H72 N16 -","4","1","","Vorobyeva, Sofia N.; Bautina, Sof'ya A.; Shekhovtsov, Nikita A.; Nikolaenkova, Elena B.; Sukhikh, Taisiya S.; Golubeva, Yuliya A.; Klyushova, Lyubov S.; Krivopalov, Viktor P.; Rakhmanova, Marianna I.; Gourlaouen, Christophe; Bushuev, Mark B.","N^N^C-Cyclometalated rhodium(III) complexes with isomeric pyrimidine-based ligands: unveiling the impact of isomerism on structural motifs, luminescence and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8398","8416","10.1039/d4dt00824c","","","0.71073","MoKα","","0.0881","0.0543","","","0.1025","0.1159","","","","","","1.044","","","","has coordinates","293054","2024-07-05","16:18:06",""
"7715816","8.8156","0.0003","10.9113","0.0004","12.2108","0.0005","103.5","0.001","92.459","0.001","91.684","0.001","1140.11","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H24.35 Cl2 N4 O1.67 Rh -","- C23 H24.354 Cl2 N4 O1.677 Rh -","- C46 H48.708 Cl4 N8 O3.354 Rh2 -","2","1","","Vorobyeva, Sofia N.; Bautina, Sof'ya A.; Shekhovtsov, Nikita A.; Nikolaenkova, Elena B.; Sukhikh, Taisiya S.; Golubeva, Yuliya A.; Klyushova, Lyubov S.; Krivopalov, Viktor P.; Rakhmanova, Marianna I.; Gourlaouen, Christophe; Bushuev, Mark B.","N^N^C-Cyclometalated rhodium(III) complexes with isomeric pyrimidine-based ligands: unveiling the impact of isomerism on structural motifs, luminescence and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8398","8416","10.1039/d4dt00824c","","","0.71073","MoKα","","0.0483","0.0363","","","0.0785","0.0834","","","","","","1.068","","","","has coordinates,has disorder","293054","2024-07-05","16:18:07",""
"7715817","8.708","0.0003","9.5487","0.0004","14.4311","0.0006","84.66","0.002","80.905","0.001","79.224","0.002","1161.47","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H23.8 Cl2 N4 O1.4 Rh -","- C23 H22 Cl2 N4 O1.42 Rh -","- C46 H44 Cl4 N8 O2.84 Rh2 -","2","1","","Vorobyeva, Sofia N.; Bautina, Sof'ya A.; Shekhovtsov, Nikita A.; Nikolaenkova, Elena B.; Sukhikh, Taisiya S.; Golubeva, Yuliya A.; Klyushova, Lyubov S.; Krivopalov, Viktor P.; Rakhmanova, Marianna I.; Gourlaouen, Christophe; Bushuev, Mark B.","N^N^C-Cyclometalated rhodium(III) complexes with isomeric pyrimidine-based ligands: unveiling the impact of isomerism on structural motifs, luminescence and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8398","8416","10.1039/d4dt00824c","","","0.71073","MoKα","","0.0532","0.039","","","0.0857","0.0917","","","","","","1.047","","","","has coordinates,has disorder","293054","2024-07-05","16:18:07",""
"7715818","17.1096","0.0003","7.691","0.0001","26.8277","0.0006","90","","104.263","0.001","90","","3421.44","0.11","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N4 -","- C21 H18 N4 -","- C168 H144 N32 -","8","2","","Vorobyeva, Sofia N.; Bautina, Sof'ya A.; Shekhovtsov, Nikita A.; Nikolaenkova, Elena B.; Sukhikh, Taisiya S.; Golubeva, Yuliya A.; Klyushova, Lyubov S.; Krivopalov, Viktor P.; Rakhmanova, Marianna I.; Gourlaouen, Christophe; Bushuev, Mark B.","N^N^C-Cyclometalated rhodium(III) complexes with isomeric pyrimidine-based ligands: unveiling the impact of isomerism on structural motifs, luminescence and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8398","8416","10.1039/d4dt00824c","","","0.71073","MoKα","","0.0951","0.057","","","0.125","0.1475","","","","","","1.028","","","","has coordinates","293054","2024-07-05","16:18:07",""
"7715819","7.5558","0.0006","16.3975","0.0014","18.6509","0.0015","77.604","0.002","79.837","0.002","85.377","0.002","2219.3","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C36.25 H30.01 Co N11 O3.25 P S3 -","- C36.25 H30.007 Co N11 O3.25 P S3 -","- C72.5 H60.014 Co2 N22 O6.5 P2 S6 -","2","1","","Landart, Aritz; Quesada-Moreno, María Mar; Palacios, María A; Li, Yanling; Ozerov, Mykhaylo; Krzystek, J.; Colacio, Enrique","Control of the geometry and anisotropy driven by the combination of steric and anion coordination effects in Co<sup>II</sup> complexes with N<sub>6</sub>-tripodal ligands: the impact of the size of the ligand on the magnetization relaxation time.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","12876","12892","10.1039/d4dt00622d","","","0.71073","MoKα","","0.0916","0.0738","","","0.2018","0.2179","","","","","","1.025","","","","has coordinates,has disorder","294576","2024-09-06","00:54:44",""
"7715820","27.738","0.003","13.8757","0.0012","21.707","0.002","90","","110.717","0.003","90","","7814.5","1.3","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C37 H38 Cl2 Co N11 O P S -","- C37 H38 Cl2 Co N11 O P S -","- C296 H304 Cl16 Co8 N88 O8 P8 S8 -","8","1","","Landart, Aritz; Quesada-Moreno, María Mar; Palacios, María A; Li, Yanling; Ozerov, Mykhaylo; Krzystek, J.; Colacio, Enrique","Control of the geometry and anisotropy driven by the combination of steric and anion coordination effects in Co<sup>II</sup> complexes with N<sub>6</sub>-tripodal ligands: the impact of the size of the ligand on the magnetization relaxation time.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","12876","12892","10.1039/d4dt00622d","","","0.71073","MoKα","","0.057","0.0496","","","0.1164","0.1195","","","","","","1.202","","","","has coordinates","294576","2024-09-06","00:54:45",""
"7715821","15.799","0.0007","15.1731","0.0006","17.5313","0.0007","90","","104.778","0.001","90","","4063.6","0.3","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C35 H38 Cl2 Co N9 O10 P S -","- C35 H38 Cl2 Co N9 O10 P S -","- C140 H152 Cl8 Co4 N36 O40 P4 S4 -","4","1","","Landart, Aritz; Quesada-Moreno, María Mar; Palacios, María A; Li, Yanling; Ozerov, Mykhaylo; Krzystek, J.; Colacio, Enrique","Control of the geometry and anisotropy driven by the combination of steric and anion coordination effects in Co<sup>II</sup> complexes with N<sub>6</sub>-tripodal ligands: the impact of the size of the ligand on the magnetization relaxation time.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","12876","12892","10.1039/d4dt00622d","","","0.71073","MoKα","","0.1161","0.0819","","","0.1981","0.2237","","","","","","1.016","","","","has coordinates,has disorder","294576","2024-09-06","00:54:45",""
"7715822","27.919","0.003","13.9992","0.0013","20.96","0.002","90","","107.188","0.003","90","","7826.2","1.3","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H37 Co N11 O2.5 P S3 -","- C36 H34.25 Co N11 O2.5 P S3 -","- C288 H274 Co8 N88 O20 P8 S24 -","8","1","","Landart, Aritz; Quesada-Moreno, María Mar; Palacios, María A; Li, Yanling; Ozerov, Mykhaylo; Krzystek, J.; Colacio, Enrique","Control of the geometry and anisotropy driven by the combination of steric and anion coordination effects in Co<sup>II</sup> complexes with N<sub>6</sub>-tripodal ligands: the impact of the size of the ligand on the magnetization relaxation time.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","12876","12892","10.1039/d4dt00622d","","","0.71073","MoKα","","0.0627","0.0511","","","0.1231","0.1292","","","","","","1.079","","","","has coordinates,has disorder","294576","2024-09-06","00:54:45",""
"7715823","17.6237","0.0004","15.5051","0.0003","19.1439","0.0005","90","","96.914","0.002","90","","5193.2","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H27 N O3 Sn -","- C31 H27 N O3 Sn -","- C248 H216 N8 O24 Sn8 -","8","2","","Kasalović, Marijana P; Jelača, Sanja; Milanović, Žiko; Maksimović-Ivanić, Danijela; Mijatović, Sanja; Lađarević, Jelena; Božić, Bojan; Marković, Zoran; Dunđerović, Duško; Rüffer, Tobias; Kretschmer, Robert; Kaluđerović, Goran N; Pantelić, Nebojša Đ","Novel triphenyltin(IV) compounds with carboxylato <i>N</i>-functionalized 2-quinolones as promising potential anticancer drug candidates: <i>in vitro</i> and <i>in vivo</i> evaluation.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8298","8314","10.1039/d4dt00182f","","","0.71073","MoKα","","0.0533","0.0412","","","0.0988","0.1119","","","","","","1.046","","","","has coordinates","293057","2024-07-05","16:19:33",""
"7715824","9.9429","0.0001","13.8691","0.0002","17.5691","0.0003","90","","92.21","0.002","90","","2420.96","0.06","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 N O3 Sn -","- C30 H25 N O3 Sn -","- C120 H100 N4 O12 Sn4 -","4","1","","Kasalović, Marijana P; Jelača, Sanja; Milanović, Žiko; Maksimović-Ivanić, Danijela; Mijatović, Sanja; Lađarević, Jelena; Božić, Bojan; Marković, Zoran; Dunđerović, Duško; Rüffer, Tobias; Kretschmer, Robert; Kaluđerović, Goran N; Pantelić, Nebojša Đ","Novel triphenyltin(IV) compounds with carboxylato <i>N</i>-functionalized 2-quinolones as promising potential anticancer drug candidates: <i>in vitro</i> and <i>in vivo</i> evaluation.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8298","8314","10.1039/d4dt00182f","","","0.71073","MoKα","","0.0296","0.023","","","0.0501","0.0531","","","","","","1.029","","","","has coordinates","293057","2024-07-05","16:19:34",""
"7715825","35.6573","0.0007","8.2326","0.0002","18.9983","0.0004","90","","90.879","0.002","90","","5576.3","0.2","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C69.5 H54 N3 O8 Zn1.5 -","- C69.5 H54 N3 O8 Zn1.5 -","- C278 H216 N12 O32 Zn6 -","4","1","","Tauchi, Daiki; Kanno, Katsuya; Hasegawa, Masashi; Mazaki, Yasuhiro; Tsubaki, Kazunori; Sugiura, Ken-Ichi; Shiga, Takuya; Mori, Seiji; Nishikawa, Hiroyuki","Aggregation-induced enhanced fluorescence emission of chiral Zn(II) complexes coordinated by Schiff-base type binaphthyl ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","8926","8933","10.1039/d4dt00903g","","","0.71073","MoKα","","0.0484","0.0415","","","0.0964","0.0996","","","","","","1.028","","","","has coordinates,has disorder","293150","2024-07-05","17:00:38",""
"7715826","35.7404","0.0007","8.2238","0.0002","18.9816","0.0004","90","","90.815","0.002","90","","5578.5","0.2","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C69.5 H54 N3 O8 Zn1.5 -","- C69.5 H54 N3 O8 Zn1.5 -","- C278 H216 N12 O32 Zn6 -","4","1","","Tauchi, Daiki; Kanno, Katsuya; Hasegawa, Masashi; Mazaki, Yasuhiro; Tsubaki, Kazunori; Sugiura, Ken-Ichi; Shiga, Takuya; Mori, Seiji; Nishikawa, Hiroyuki","Aggregation-induced enhanced fluorescence emission of chiral Zn(II) complexes coordinated by Schiff-base type binaphthyl ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","8926","8933","10.1039/d4dt00903g","","","0.71073","MoKα","","0.0464","0.0403","","","0.0952","0.0979","","","","","","1.032","","","","has coordinates,has disorder","293150","2024-07-05","17:00:38",""
"7715827","16.0807","0.0002","20.8326","0.0003","20.2215","0.0002","90","","112.187","0.001","90","","6272.67","0.14","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C88 H168 Co6 O58 Zr6 -","- C88 H167.997 Co6 O58 Zr6 -","- C176 H335.994 Co12 O116 Zr12 -","2","0.5","","Seiß, Maximilian; Lorenz, Jonas; Schmitz, Sebastian; Moors, Marco; Börner, Martin; Monakhov, Kirill Yu","Synthesis and structures of cobalt-expanded zirconium- and cerium-oxo clusters as precursors for mixed-metal oxide thin films.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8454","8462","10.1039/d4dt00328d","","x-ray","1.54186","CuKα","","0.0592","0.05","","","0.1199","0.1267","","","","","","1.051","","","","has coordinates,has disorder","293050","2024-07-05","16:16:24",""
"7715828","14.882","0.0002","15.2696","0.0002","19.4127","0.0003","66.865","0.001","75.419","0.001","79.603","0.001","3909.46","0.1","180","","180","","","","","","","","","6","P -1","-P 1","2","","","","- C59 H110 Ce3 Co2 N4 O24 -","- C59 H110 Ce3 Co2 N4 O24 -","- C118 H220 Ce6 Co4 N8 O48 -","2","1","","Seiß, Maximilian; Lorenz, Jonas; Schmitz, Sebastian; Moors, Marco; Börner, Martin; Monakhov, Kirill Yu","Synthesis and structures of cobalt-expanded zirconium- and cerium-oxo clusters as precursors for mixed-metal oxide thin films.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8454","8462","10.1039/d4dt00328d","","x-ray","1.54186","CuKα","","0.0448","0.0364","","","0.0954","0.1015","","","","","","1.04","","","","has coordinates,has disorder","293050","2024-07-05","16:16:24",""
"7715829","8.3543","0.0003","15.2716","0.0006","27.3324","0.001","90","","92.6004","0.0008","90","","3483.6","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H34 B Br3 N4 O5 Zn -","- C33 H34 B Br3 N4 O5 Zn -","- C132 H136 B4 Br12 N16 O20 Zn4 -","4","1","","Salomón-Flores, María K; Valdes-García, Josue; Viviano-Posadas, Alejandro O; Martínez-Otero, Diego; Barroso-Flores, Joaquín; Bazany-Rodríguez, Iván J; Dorazco-González, Alejandro","Molecular two-point recognition of fructosyl valine and fructosyl glycyl histidine in water by fluorescent Zn(II)-terpyridine complexes bearing boronic acids.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8692","8708","10.1039/d4dt00260a","","","0.71073","MoKα","","0.0333","0.0272","","","0.0673","0.0697","","","","","","1.032","","","","has coordinates,has disorder","293094","2024-07-05","16:36:44",""
"7715830","11.9341","0.0007","13.9809","0.0008","29.8353","0.0017","87.8007","0.0011","84.5345","0.0011","88.1333","0.0012","4949.6","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C99 H82.68 Br11 N14.77 O2.23 Zn4 -","- C99.0002 H82.6789 Br11 N14.7739 O2.2262 Zn4 -","- C198 H165.358 Br22 N29.5478 O4.4524 Zn8 -","2","1","","Salomón-Flores, María K; Valdes-García, Josue; Viviano-Posadas, Alejandro O; Martínez-Otero, Diego; Barroso-Flores, Joaquín; Bazany-Rodríguez, Iván J; Dorazco-González, Alejandro","Molecular two-point recognition of fructosyl valine and fructosyl glycyl histidine in water by fluorescent Zn(II)-terpyridine complexes bearing boronic acids.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8692","8708","10.1039/d4dt00260a","","","0.71073","MoKα","","0.0574","0.0404","","","0.0887","0.0946","","","","","","1.055","","","","has coordinates,has disorder","293094","2024-07-05","16:36:44",""
"7715831","8.9056","0.0013","8.9056","0.0013","33.485","0.007","90","","90","","90","","2655.7","0.8","113.15","","113.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","Gd","","- C25 H21 Gd N6 O10 -","- C25 H21 Gd N6 O10 -","- C100 H84 Gd4 N24 O40 -","4","0.5","","Chen, Kun-Peng; Ma, Yue; Ren, Hong-Xia; Zhang, Chen-Xi; Wang, Qing-Lun","Synthesis and proton-conductive behaviour of two MOFs with covalently bonded imidazoles in the channels.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8716","8721","10.1039/d3dt04338j","","","0.71073","MoKα","","0.0435","0.041","","","0.115","0.1172","","","","","","1.138","","","","has coordinates,has disorder","293085","2024-07-05","16:34:08",""
"7715832","7.274","0.002","7.628","0.002","7.529","0.002","90","","115.976","0.004","90","","375.55","0.17","293","","293","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Silver(II) Cobalt(III) Pentafluoride","Silver(II) Cobalt(III) Pentafluoride","","- Ag Co F5 -","- Ag Co F5 -","- Ag4 Co4 F20 -","4","0.5","","Jezierski, Daniel; Mazej, Zoran; Grochala, Wojciech","Novel ternary Ag<sup>II</sup>Co<sup>III</sup>F<sub>5</sub> fluoride: synthesis, structure and magnetic characteristics.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13731","13742","10.1039/d4dt00419a","powder diffraction","x-ray","1.7902","CoKα","","0.0299","0.0248","","0.0324","0.031","","","","1.66","","","","","","","has coordinates","294554","2024-09-06","00:43:08",""
"7715833","21.475","0.0003","21.475","0.0003","9.4576","0.0007","90","","90","","90","","4361.6","0.3","100","","100","","","","370000","","","","","6","I 41/a :2","-I 4ad","88","","catena-[tetrakis(m2-Cyano)-octakis(1H-pyrazole-N2)-tetracyano-di-iron(ii)-niobium(iv) tetrahydrate]","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Handzlik, Gabriela; Dziubek, Kamil F.; Hanfland, Michael; Pinkowicz, Dawid","Simultaneous manipulation of iron(II) spin crossover and LIESST behaviour using pressure, temperature and light.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7677","7681","10.1039/d4dt00509k","","x-ray","0.41008","synchrotron","","0.0424","0.0379","","","0.0923","0.0956","","","","","","1.081","","","","has coordinates","293117","2024-07-05","16:44:47",""
"7715834","21.4722","0.0003","21.4722","0.0003","9.4522","0.0008","90","","90","","90","","4358","0.4","5","","5","","","","280000","","","","","6","I 41/a :2","-I 4ad","88","","catena-[tetrakis(m2-Cyano)-octakis(1H-pyrazole-N2)-tetracyano-di-iron(ii)-niobium(iv) tetrahydrate]","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Handzlik, Gabriela; Dziubek, Kamil F.; Hanfland, Michael; Pinkowicz, Dawid","Simultaneous manipulation of iron(II) spin crossover and LIESST behaviour using pressure, temperature and light.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7677","7681","10.1039/d4dt00509k","","x-ray","0.41008","synchrotron","","0.0418","0.0351","","","0.0892","0.093","","","","","","1.048","","","","has coordinates","293117","2024-07-05","16:44:47",""
"7715835","21.4595","0.0004","21.4595","0.0004","9.4491","0.001","90","","90","","90","","4351.4","0.5","5","","5","","","","280000","","","","","6","I 41/a :2","-I 4ad","88","","catena-[tetrakis(m2-Cyano)-octakis(1H-pyrazole-N2)-tetracyano-di-iron(ii)-niobium(iv) tetrahydrate]","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Handzlik, Gabriela; Dziubek, Kamil F.; Hanfland, Michael; Pinkowicz, Dawid","Simultaneous manipulation of iron(II) spin crossover and LIESST behaviour using pressure, temperature and light.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7677","7681","10.1039/d4dt00509k","","x-ray","0.41008","synchrotron","","0.042","0.037","","","0.0968","0.1001","","","","","","1.06","","","","has coordinates","293117","2024-07-05","16:44:47",""
"7715836","21.418","0.0003","21.418","0.0003","9.4229","0.0008","90","","90","","90","","4322.6","0.4","100","","100","","","","510000","","","","","6","I 41/a :2","-I 4ad","88","","catena-[tetrakis(m2-Cyano)-octakis(1H-pyrazole-N2)-tetracyano-di-iron(ii)-niobium(iv) tetrahydrate]","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Handzlik, Gabriela; Dziubek, Kamil F.; Hanfland, Michael; Pinkowicz, Dawid","Simultaneous manipulation of iron(II) spin crossover and LIESST behaviour using pressure, temperature and light.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7677","7681","10.1039/d4dt00509k","","x-ray","0.41008","synchrotron","","0.0393","0.0346","","","0.0886","0.0917","","","","","","1.065","","","","has coordinates","293117","2024-07-05","16:44:47",""
"7715837","21.605","0.0004","21.605","0.0004","9.5533","0.0018","90","","90","","90","","4459.3","0.8","100","","100","","","","80000","","","","","6","I 41/a :2","-I 4ad","88","","catena-[tetrakis(m2-Cyano)-octakis(1H-pyrazole-N2)-tetracyano-di-iron(ii)-niobium(iv) tetrahydrate]","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Handzlik, Gabriela; Dziubek, Kamil F.; Hanfland, Michael; Pinkowicz, Dawid","Simultaneous manipulation of iron(II) spin crossover and LIESST behaviour using pressure, temperature and light.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7677","7681","10.1039/d4dt00509k","","x-ray","0.41008","synchrotron","","0.0499","0.0401","","","0.0912","0.096","","","","","","0.999","","","","has coordinates","293117","2024-07-05","16:44:47",""
"7715838","21.0746","0.0007","21.0746","0.0007","9.3334","0.0015","90","","90","","90","","4145.3","0.7","5","","5","","","","870000","","","","","6","I 41/a :2","-I 4ad","88","","catena-[tetrakis(m2-Cyano)-octakis(1H-pyrazole-N2)-tetracyano-di-iron(ii)-niobium(iv) tetrahydrate]","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Handzlik, Gabriela; Dziubek, Kamil F.; Hanfland, Michael; Pinkowicz, Dawid","Simultaneous manipulation of iron(II) spin crossover and LIESST behaviour using pressure, temperature and light.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7677","7681","10.1039/d4dt00509k","","x-ray","0.41008","synchrotron","","0.0665","0.0417","","","0.0895","0.0984","","","","","","0.961","","","","has coordinates","293117","2024-07-05","16:44:47",""
"7715839","20.9186","0.0013","20.9186","0.0013","9.372","0.003","90","","90","","90","","4101.1","1.4","5","","5","","","","870000","","","","","6","I 41/a :2","-I 4ad","88","","catena-[tetrakis(m2-Cyano)-octakis(1H-pyrazole-N2)-tetracyano-di-iron(ii)-niobium(iv) tetrahydrate]","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Handzlik, Gabriela; Dziubek, Kamil F.; Hanfland, Michael; Pinkowicz, Dawid","Simultaneous manipulation of iron(II) spin crossover and LIESST behaviour using pressure, temperature and light.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7677","7681","10.1039/d4dt00509k","","x-ray","0.41008","synchrotron","","0.0911","0.0491","","","0.0984","0.1131","","","","","","0.939","","","","has coordinates","293117","2024-07-05","16:44:47",""
"7715840","20.9206","0.0017","20.9206","0.0017","9.371","0.003","90","","90","","90","","4101.4","1.4","5","","5","","","","870000","","","","","6","I 41/a :2","-I 4ad","88","","catena-[tetrakis(m2-Cyano)-octakis(1H-pyrazole-N2)-tetracyano-di-iron(ii)-niobium(iv) tetrahydrate]","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Handzlik, Gabriela; Dziubek, Kamil F.; Hanfland, Michael; Pinkowicz, Dawid","Simultaneous manipulation of iron(II) spin crossover and LIESST behaviour using pressure, temperature and light.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7677","7681","10.1039/d4dt00509k","","x-ray","0.41008","synchrotron","","0.1058","0.064","","","0.1721","0.2054","","","","","","0.943","","","","has coordinates","293117","2024-07-05","16:44:47",""
"7715841","21.4558","0.0004","21.4558","0.0004","9.4642","0.0013","90","","90","","90","","4356.9","0.6","100","","100","","","","380000","","","","","6","I 41/a :2","-I 4ad","88","","catena-[tetrakis(m2-Cyano)-octakis(1H-pyrazole-N2)-tetracyano-di-iron(ii)-niobium(iv) tetrahydrate]","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Handzlik, Gabriela; Dziubek, Kamil F.; Hanfland, Michael; Pinkowicz, Dawid","Simultaneous manipulation of iron(II) spin crossover and LIESST behaviour using pressure, temperature and light.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7677","7681","10.1039/d4dt00509k","","x-ray","0.41008","synchrotron","","0.0559","0.0435","","","0.106","0.1123","","","","","","1.03","","","","has coordinates","293117","2024-07-05","16:44:47",""
"7715842","21.168","0.0007","21.168","0.0007","9.3545","0.0017","90","","90","","90","","4191.6","0.8","5","","5","","","","820000","","","","","6","I 41/a :2","-I 4ad","88","","catena-[tetrakis(m2-Cyano)-octakis(1H-pyrazole-N2)-tetracyano-di-iron(ii)-niobium(iv) tetrahydrate]","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Handzlik, Gabriela; Dziubek, Kamil F.; Hanfland, Michael; Pinkowicz, Dawid","Simultaneous manipulation of iron(II) spin crossover and LIESST behaviour using pressure, temperature and light.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7677","7681","10.1039/d4dt00509k","","x-ray","0.41008","synchrotron","","0.0869","0.0612","","","0.154","0.1657","","","","","","1.103","","","","has coordinates","293117","2024-07-05","16:44:47",""
"7715843","21.0773","0.0006","21.0773","0.0006","9.3291","0.0013","90","","90","","90","","4144.5","0.6","5","","5","","","","870000","","","","","6","I 41/a :2","-I 4ad","88","","catena-[tetrakis(m2-Cyano)-octakis(1H-pyrazole-N2)-tetracyano-di-iron(ii)-niobium(iv) tetrahydrate]","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Handzlik, Gabriela; Dziubek, Kamil F.; Hanfland, Michael; Pinkowicz, Dawid","Simultaneous manipulation of iron(II) spin crossover and LIESST behaviour using pressure, temperature and light.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7677","7681","10.1039/d4dt00509k","","x-ray","0.41008","synchrotron","","0.0671","0.0445","","","0.0949","0.103","","","","","","0.97","","","","has coordinates","293117","2024-07-05","16:44:47",""
"7715844","20.6618","0.0004","20.6618","0.0004","9.2789","0.0009","90","","90","","90","","3961.3","0.4","100","","100","","","","1530000","","","","","6","I 41/a :2","-I 4ad","88","","catena-[tetrakis(m2-Cyano)-octakis(1H-pyrazole-N2)-tetracyano-di-iron(ii)-niobium(iv) tetrahydrate]","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Handzlik, Gabriela; Dziubek, Kamil F.; Hanfland, Michael; Pinkowicz, Dawid","Simultaneous manipulation of iron(II) spin crossover and LIESST behaviour using pressure, temperature and light.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7677","7681","10.1039/d4dt00509k","","x-ray","0.41008","synchrotron","","0.1068","0.0959","","","0.2959","0.327","","","","","","1.049","","","","has coordinates","293117","2024-07-05","16:44:47",""
"7715845","21.091","0.001","21.091","0.001","9.378","0.002","90","","90","","90","","4171.6","0.9","5","","5","","","","820000","","","","","6","I 41/a :2","-I 4ad","88","","catena-[tetrakis(m2-Cyano)-octakis(1H-pyrazole-N2)-tetracyano-di-iron(ii)-niobium(iv) tetrahydrate]","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Handzlik, Gabriela; Dziubek, Kamil F.; Hanfland, Michael; Pinkowicz, Dawid","Simultaneous manipulation of iron(II) spin crossover and LIESST behaviour using pressure, temperature and light.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7677","7681","10.1039/d4dt00509k","","x-ray","0.41008","synchrotron","","0.0979","0.0655","","","0.1836","0.2052","","","","","","1.011","","","","has coordinates","293117","2024-07-05","16:44:47",""
"7715846","20.7181","0.0006","20.7181","0.0006","9.3075","0.0013","90","","90","","90","","3995.1","0.6","100","","100","","","","1360000","","","","","6","I 41/a :2","-I 4ad","88","","catena-[tetrakis(m2-Cyano)-octakis(1H-pyrazole-N2)-tetracyano-di-iron(ii)-niobium(iv) tetrahydrate]","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Handzlik, Gabriela; Dziubek, Kamil F.; Hanfland, Michael; Pinkowicz, Dawid","Simultaneous manipulation of iron(II) spin crossover and LIESST behaviour using pressure, temperature and light.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7677","7681","10.1039/d4dt00509k","","x-ray","0.41008","synchrotron","","0.0943","0.0742","","","0.1991","0.2162","","","","","","1.025","","","","has coordinates","293117","2024-07-05","16:44:47",""
"7715847","20.7576","0.0007","20.7576","0.0007","9.3174","0.0017","90","","90","","90","","4014.7","0.8","100","","100","","","","1250000","","","","","6","I 41/a :2","-I 4ad","88","","catena-[tetrakis(m2-Cyano)-octakis(1H-pyrazole-N2)-tetracyano-di-iron(ii)-niobium(iv) tetrahydrate]","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Handzlik, Gabriela; Dziubek, Kamil F.; Hanfland, Michael; Pinkowicz, Dawid","Simultaneous manipulation of iron(II) spin crossover and LIESST behaviour using pressure, temperature and light.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7677","7681","10.1039/d4dt00509k","","x-ray","0.41008","synchrotron","","0.0603","0.0454","","","0.1028","0.1083","","","","","","0.949","","","","has coordinates","293117","2024-07-05","16:44:47",""
"7715848","21.1151","0.0005","21.1151","0.0005","9.3661","0.0017","90","","90","","90","","4175.9","0.8","100","","100","","","","830000","","","","","6","I 41/a :2","-I 4ad","88","","catena-[tetrakis(m2-Cyano)-octakis(1H-pyrazole-N2)-tetracyano-di-iron(ii)-niobium(iv) tetrahydrate]","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Handzlik, Gabriela; Dziubek, Kamil F.; Hanfland, Michael; Pinkowicz, Dawid","Simultaneous manipulation of iron(II) spin crossover and LIESST behaviour using pressure, temperature and light.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7677","7681","10.1039/d4dt00509k","","x-ray","0.41008","synchrotron","","0.0852","0.0543","","","0.1309","0.1473","","","","","","1.058","","","","has coordinates","293117","2024-07-05","16:44:47",""
"7715849","21.4699","0.0003","21.4699","0.0003","9.4581","0.0007","90","","90","","90","","4359.8","0.3","5","","5","","","","280000","","","","","6","I 41/a :2","-I 4ad","88","","catena-[tetrakis(m2-Cyano)-octakis(1H-pyrazole-N2)-tetracyano-di-iron(ii)-niobium(iv) tetrahydrate]","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Handzlik, Gabriela; Dziubek, Kamil F.; Hanfland, Michael; Pinkowicz, Dawid","Simultaneous manipulation of iron(II) spin crossover and LIESST behaviour using pressure, temperature and light.","Dalton transactions (Cambridge, England : 2003)","2024","53","18","7677","7681","10.1039/d4dt00509k","","x-ray","0.41008","synchrotron","","0.0504","0.0408","","","0.1022","0.1078","","","","","","1.058","","","","has coordinates","293117","2024-07-05","16:44:47",""
"7715850","10.123","0.002","21.819","0.005","12.084","0.003","90","","103.742","0.012","90","","2592.6","1","300","2","300","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Cl F2 Fe N4 O6 -","- C22 H28 Cl F2 Fe N4 O6 -","- C88 H112 Cl4 F8 Fe4 N16 O24 -","4","1","","Bento, Marcos A.; Gomes, Tiago; Martins, Frederico F.; Gil, Adrià; Ferreira, Liliana P.; Barroso, Sónia; Gomes, Clara S. B.; Garcia, Yann; Martinho, Paulo N.","The role of intermolecular interactions in [Fe(X-salEen)<sub>2</sub>]ClO<sub>4</sub> spin crossover complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8791","8802","10.1039/d4dt00400k","","","0.71073","MoKα","","0.1279","0.058","","","0.1364","0.1547","","","","","","1.016","","","","has coordinates","293084","2024-07-05","16:33:59",""
"7715851","9.9911","0.001","23.03","0.002","12.0882","0.0011","90","","103.748","0.004","90","","2701.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Cl3 Fe N4 O6 -","- C22 H28 Cl3 Fe N4 O6 -","- C88 H112 Cl12 Fe4 N16 O24 -","4","1","","Bento, Marcos A.; Gomes, Tiago; Martins, Frederico F.; Gil, Adrià; Ferreira, Liliana P.; Barroso, Sónia; Gomes, Clara S. B.; Garcia, Yann; Martinho, Paulo N.","The role of intermolecular interactions in [Fe(X-salEen)<sub>2</sub>]ClO<sub>4</sub> spin crossover complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8791","8802","10.1039/d4dt00400k","","","0.71073","MoKα","","0.1431","0.0623","","","0.1458","0.1553","","","","","","1.026","","","","has coordinates","293084","2024-07-05","16:33:59",""
"7715852","9.8405","0.0005","22.8166","0.0009","11.9228","0.0006","90","","104.146","0.002","90","","2595.8","0.2","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Cl3 Fe N4 O6 -","- C22 H28 Cl3 Fe N4 O6 -","- C88 H112 Cl12 Fe4 N16 O24 -","4","1","","Bento, Marcos A.; Gomes, Tiago; Martins, Frederico F.; Gil, Adrià; Ferreira, Liliana P.; Barroso, Sónia; Gomes, Clara S. B.; Garcia, Yann; Martinho, Paulo N.","The role of intermolecular interactions in [Fe(X-salEen)<sub>2</sub>]ClO<sub>4</sub> spin crossover complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8791","8802","10.1039/d4dt00400k","","x-ray","0.71073","MoKα","","0.0627","0.0359","","","0.0687","0.0746","","","","","","1.027","","","","has coordinates","293084","2024-07-05","16:33:59",""
"7715853","9.8076","0.0005","21.5134","0.001","12.1084","0.0006","90","","104.487","0.002","90","","2473.6","0.2","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Cl F2 Fe N4 O6 -","- C22 H28 Cl F2 Fe N4 O6 -","- C88 H112 Cl4 F8 Fe4 N16 O24 -","4","1","","Bento, Marcos A.; Gomes, Tiago; Martins, Frederico F.; Gil, Adrià; Ferreira, Liliana P.; Barroso, Sónia; Gomes, Clara S. B.; Garcia, Yann; Martinho, Paulo N.","The role of intermolecular interactions in [Fe(X-salEen)<sub>2</sub>]ClO<sub>4</sub> spin crossover complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8791","8802","10.1039/d4dt00400k","","","0.71073","MoKα","","0.062","0.0391","","","0.0907","0.0979","","","","","","1.054","","","","has coordinates","293084","2024-07-05","16:33:59",""
"7715854","10.4325","0.0017","5.3198","0.0007","12.7174","0.0015","90","","108.111","0.004","90","","670.83","0.16","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H6 Mn N4 O8 -","- C12 H6 Mn N4 O8 -","- C24 H12 Mn2 N8 O16 -","2","1","","García-García, Amalia; Medina-O'donnell, Marta; Rojas, Sara; Cano-Morenilla, Mariola; Morales, Juan; Quesada-Moreno, María Mar; Sainz, Juan; Vitorica-Yrezabal, Iñigo J; Rodríguez-Diéguez, Antonio; Navarro, Amparo; Reyes-Zurita, Fernando J","Modulating anti-inflammatory and anticancer properties by designing a family of metal-complexes based on 5-nitropicolinic acid.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","8988","9000","10.1039/d4dt00265b","","","0.71073","MoKα","","0.0799","0.0543","","","0.0992","0.1125","","","","","","1.014","","","","has coordinates","293146","2024-07-05","16:59:42",""
"7715855","5.0247","0.0005","25.069","0.003","6.4693","0.0007","90","","111.501","0.004","90","","758.19","0.15","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Co N4 O10 -","- C12 H10 Co N4 O10 -","- C24 H20 Co2 N8 O20 -","2","0.5","","García-García, Amalia; Medina-O'donnell, Marta; Rojas, Sara; Cano-Morenilla, Mariola; Morales, Juan; Quesada-Moreno, María Mar; Sainz, Juan; Vitorica-Yrezabal, Iñigo J; Rodríguez-Diéguez, Antonio; Navarro, Amparo; Reyes-Zurita, Fernando J","Modulating anti-inflammatory and anticancer properties by designing a family of metal-complexes based on 5-nitropicolinic acid.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","8988","9000","10.1039/d4dt00265b","","","0.71073","MoKα","","0.1128","0.0566","","","0.1366","0.1934","","","","","","1.26","","","","has coordinates","293146","2024-07-05","16:59:44",""
"7715856","5.095","0.0003","25.1353","0.0016","6.5334","0.0004","90","","110.793","0.003","90","","782.2","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N4 O10 Zn -","- C12 H10 N4 O10 Zn -","- C24 H20 N8 O20 Zn2 -","2","0.5","","García-García, Amalia; Medina-O'donnell, Marta; Rojas, Sara; Cano-Morenilla, Mariola; Morales, Juan; Quesada-Moreno, María Mar; Sainz, Juan; Vitorica-Yrezabal, Iñigo J; Rodríguez-Diéguez, Antonio; Navarro, Amparo; Reyes-Zurita, Fernando J","Modulating anti-inflammatory and anticancer properties by designing a family of metal-complexes based on 5-nitropicolinic acid.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","8988","9000","10.1039/d4dt00265b","","","0.71073","MoKα","","0.1027","0.057","","","0.0846","0.0955","","","","","","1.047","","","","has coordinates","293146","2024-07-05","16:59:44",""
"7715857","5.07","0.0007","24.784","0.004","6.4982","0.0013","90","","111.764","0.006","90","","758.3","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N4 Ni O10 -","- C12 H10 N4 Ni O10 -","- C24 H20 N8 Ni2 O20 -","2","0.5","","García-García, Amalia; Medina-O'donnell, Marta; Rojas, Sara; Cano-Morenilla, Mariola; Morales, Juan; Quesada-Moreno, María Mar; Sainz, Juan; Vitorica-Yrezabal, Iñigo J; Rodríguez-Diéguez, Antonio; Navarro, Amparo; Reyes-Zurita, Fernando J","Modulating anti-inflammatory and anticancer properties by designing a family of metal-complexes based on 5-nitropicolinic acid.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","8988","9000","10.1039/d4dt00265b","","","0.71073","MoKα","","0.1532","0.0654","","","0.1547","0.238","","","","","","1.169","","","","has coordinates","293146","2024-07-05","16:59:44",""
"7715858","6.48","0.0008","10.0354","0.0012","10.689","0.0011","90","","106.37","0.004","90","","666.92","0.13","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 Cu N4 O8 -","- C12 H6 Cu N4 O8 -","- C24 H12 Cu2 N8 O16 -","2","0.5","","García-García, Amalia; Medina-O'donnell, Marta; Rojas, Sara; Cano-Morenilla, Mariola; Morales, Juan; Quesada-Moreno, María Mar; Sainz, Juan; Vitorica-Yrezabal, Iñigo J; Rodríguez-Diéguez, Antonio; Navarro, Amparo; Reyes-Zurita, Fernando J","Modulating anti-inflammatory and anticancer properties by designing a family of metal-complexes based on 5-nitropicolinic acid.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","8988","9000","10.1039/d4dt00265b","","","0.71073","MoKα","","0.0323","0.028","","","0.0784","0.0805","","","","","","1.045","","","","has coordinates","293146","2024-07-05","16:59:44",""
"7715859","10.5242","0.0009","5.4425","0.0004","12.4602","0.0013","90","","107.135","0.003","90","","682.02","0.11","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H6 Cd N4 O8 -","- C12 H6 Cd N4 O8 -","- C24 H12 Cd2 N8 O16 -","2","1","","García-García, Amalia; Medina-O'donnell, Marta; Rojas, Sara; Cano-Morenilla, Mariola; Morales, Juan; Quesada-Moreno, María Mar; Sainz, Juan; Vitorica-Yrezabal, Iñigo J; Rodríguez-Diéguez, Antonio; Navarro, Amparo; Reyes-Zurita, Fernando J","Modulating anti-inflammatory and anticancer properties by designing a family of metal-complexes based on 5-nitropicolinic acid.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","8988","9000","10.1039/d4dt00265b","","","0.71073","MoKα","","0.0475","0.0387","","","0.0725","0.0771","","","","","","0.997","","","","has coordinates","293146","2024-07-05","16:59:44",""
"7715860","12.0836","0.0002","13.4866","0.0003","15.6191","0.0003","97.304","0.002","109.927","0.002","114.411","0.002","2069.55","0.1","180","0.1","180","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C66 H108 N8 Si8 Te2 Yb2 -","- C66 H108 N8 Si8 Te2 Yb2 -","- C66 H108 N8 Si8 Te2 Yb2 -","1","0.5","","Ma, Ying-Zhao; Yu, Lian; Zhou, Qi; Fu, Wensheng","Dinuclear ytterbium(III) benzamidinate complexes with bridging S<sub>3</sub><sup>2-</sup>, Se<sub>2</sub><sup>2-</sup> and Te<sub>2</sub><sup>2-</sup> ligands: synthesis, structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8118","8123","10.1039/d4dt00724g","","x-ray","0.71073","MoKα","","0.0318","0.0269","","","0.0529","0.0559","","","","","","1.055","","","","has coordinates","293062","2024-07-05","16:21:51",""
"7715861","10.929","0.001","17.219","0.0017","21.1806","0.0017","73.462","0.004","89.252","0.004","89.738","0.004","3820.7","0.6","99.99","","99.99","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H108 N8 O2 Se2 Si8 Yb2 -","- C60 H108 N8 O2 Se2 Si8 Yb2 -","- C120 H216 N16 O4 Se4 Si16 Yb4 -","2","1","","Ma, Ying-Zhao; Yu, Lian; Zhou, Qi; Fu, Wensheng","Dinuclear ytterbium(III) benzamidinate complexes with bridging S<sub>3</sub><sup>2-</sup>, Se<sub>2</sub><sup>2-</sup> and Te<sub>2</sub><sup>2-</sup> ligands: synthesis, structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8118","8123","10.1039/d4dt00724g","","x-ray","0.71073","MoKα","","0.0742","0.0653","","","0.1571","0.1667","","","","","","1.092","","","","has coordinates,has disorder","293062","2024-07-05","16:21:51",""
"7715862","16.908","0.0007","14.7978","0.0006","30.2287","0.0012","90","","101.055","0.002","90","","7422.9","0.5","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H100 N8 O S3 Si8 Yb2 -","- C56 H100 N8 O S3 Si8 Yb2 -","- C224 H400 N32 O4 S12 Si32 Yb8 -","4","1","","Ma, Ying-Zhao; Yu, Lian; Zhou, Qi; Fu, Wensheng","Dinuclear ytterbium(III) benzamidinate complexes with bridging S<sub>3</sub><sup>2-</sup>, Se<sub>2</sub><sup>2-</sup> and Te<sub>2</sub><sup>2-</sup> ligands: synthesis, structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8118","8123","10.1039/d4dt00724g","","x-ray","0.71073","MoKα","","0.1228","0.0918","","","0.1794","0.1924","","","","","","1.123","","","","has coordinates,has disorder","293062","2024-07-05","16:21:51",""
"7715863","9.8606","0.0004","10.6648","0.0004","15.2352","0.0006","87.929","0.001","89.651","0.001","75.61","0.001","1550.87","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[VO2(L1]3H2O","{3-[(2-benzoylhydrazono)methyl]-4-hydroxybenzyl} triphenylphosphonium chloride vanadium (V) dioxido complex","","- C33 H30 N2 O6 P V -","- C33 H28 N2 O6 P V -","- C66 H56 N4 O12 P2 V2 -","2","1","","Martins, Francisco Mainardi; Iglesias, Bernardo Almeida; Chaves, Otávio Augusto; Gutknecht da Silva, Jean Lucas; Leal, Daniela Bitencourt Rosa; Back, Davi Fernando","Vanadium(V) complexes derived from triphenylphosphonium and hydrazides: cytotoxicity evaluation and interaction with biomolecules.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8315","8327","10.1039/d4dt00464g","","","0.71073","MoKα","","0.0913","0.0836","","","0.1449","0.152","","","","","","1.028","","","","has coordinates","293056","2024-07-05","16:19:17",""
"7715864","11.2125","0.0003","12.2196","0.0004","14.1895","0.0004","67.99","0.001","78.423","0.001","65.298","0.001","1635.27","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[VO2(L2)]CH3OH 4H2O","{4-hydroxy-3-[(2-nicotinoylhydrazono)methyl] benzyl}triphenylphosphonium chloride vanadium (V) dioxo complex","","- C33 H37 N3 O9 P V -","- C33 H33 N3 O9 P V -","- C66 H66 N6 O18 P2 V2 -","2","1","","Martins, Francisco Mainardi; Iglesias, Bernardo Almeida; Chaves, Otávio Augusto; Gutknecht da Silva, Jean Lucas; Leal, Daniela Bitencourt Rosa; Back, Davi Fernando","Vanadium(V) complexes derived from triphenylphosphonium and hydrazides: cytotoxicity evaluation and interaction with biomolecules.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8315","8327","10.1039/d4dt00464g","","","0.71073","MoKα","","0.0478","0.039","","","0.0938","0.0984","","","","","","1.027","","","","has coordinates","293056","2024-07-05","16:19:18",""
"7715865","9.7713","0.0005","13.1128","0.0006","17.6654","0.0009","105.387","0.002","92.247","0.002","90.731","0.002","2180.01","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","none","3-formyl-4-hydroxybenzyl)triphenylphosphonium chloride","","- C52 H44 Cl2 O4 P2 -","- C52 H44 Cl2 O4 P2 -","- C104 H88 Cl4 O8 P4 -","2","1","","Martins, Francisco Mainardi; Iglesias, Bernardo Almeida; Chaves, Otávio Augusto; Gutknecht da Silva, Jean Lucas; Leal, Daniela Bitencourt Rosa; Back, Davi Fernando","Vanadium(V) complexes derived from triphenylphosphonium and hydrazides: cytotoxicity evaluation and interaction with biomolecules.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8315","8327","10.1039/d4dt00464g","","","0.71073","MoKα","","0.0923","0.076","","","0.148","0.1452","","","","","","1.165","","","","has coordinates","293056","2024-07-05","16:19:18",""
"7715866","14.3202","0.0004","15.0874","0.0005","16.8813","0.0004","114.387","0.001","94.147","0.001","99.419","0.001","3237.12","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[VO2(L3)]3.5H2O","4-hydroxy-3-[(2-isonicotinoylhydrazono)methyl]benzyl} triphenylphosphonium chloride vanadium (V) dioxido complex","","- C32.5 H33 N3 O7.5 P V -","- C32.5 H29 N3 O7.5 P V -","- C130 H116 N12 O30 P4 V4 -","4","2","","Martins, Francisco Mainardi; Iglesias, Bernardo Almeida; Chaves, Otávio Augusto; Gutknecht da Silva, Jean Lucas; Leal, Daniela Bitencourt Rosa; Back, Davi Fernando","Vanadium(V) complexes derived from triphenylphosphonium and hydrazides: cytotoxicity evaluation and interaction with biomolecules.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8315","8327","10.1039/d4dt00464g","","","0.71073","MoKα","","0.1463","0.1011","","","0.1402","0.1174","","","","","","1.03","","","","has coordinates","294865","2024-09-24","08:56:35",""
"7715867","11.6944","0.0005","10.2221","0.0004","23.3093","0.0008","90","","102.202","0.001","90","","2723.48","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[H2L2]Cl","{4-hydroxy-3-[(2-nicotinoylhydrazono)methyl]benzyl} triphenylphosphonium chloride","","- C32 H27 Cl N3 O2 P -","- C32 H27 Cl N3 O2 P -","- C128 H108 Cl4 N12 O8 P4 -","4","1","","Martins, Francisco Mainardi; Iglesias, Bernardo Almeida; Chaves, Otávio Augusto; Gutknecht da Silva, Jean Lucas; Leal, Daniela Bitencourt Rosa; Back, Davi Fernando","Vanadium(V) complexes derived from triphenylphosphonium and hydrazides: cytotoxicity evaluation and interaction with biomolecules.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8315","8327","10.1039/d4dt00464g","","","0.71073","MoKα","","0.1123","0.0571","","","0.0934","0.1078","","","","","","1.027","","","","has coordinates","293056","2024-07-05","16:19:18",""
"7715868","10.8358","0.0005","11.2449","0.0004","14.9567","0.0008","77.093","0.001","83.962","0.002","72.121","0.001","1689.29","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[VO2(HL4)]2CH3OH","4-hydroxy-3-{[2-(3-hydroxy-2-naphthoyl)hydrazono]methyl}benzyl}triphenylphosphonium chloride vanadium (V) dioxido complex","","- C39 H36 N2 O7 P V -","- C39 H36 N2 O7 P V -","- C78 H72 N4 O14 P2 V2 -","2","1","","Martins, Francisco Mainardi; Iglesias, Bernardo Almeida; Chaves, Otávio Augusto; Gutknecht da Silva, Jean Lucas; Leal, Daniela Bitencourt Rosa; Back, Davi Fernando","Vanadium(V) complexes derived from triphenylphosphonium and hydrazides: cytotoxicity evaluation and interaction with biomolecules.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8315","8327","10.1039/d4dt00464g","","","0.71073","MoKα","","0.071","0.0467","","","0.1042","0.1141","","","","","","1.026","","","","has coordinates","293056","2024-07-05","16:19:18",""
"7715869","9.9185","0.0005","10.6629","0.0004","15.2191","0.0008","88.136","0.002","88.887","0.002","75.909","0.002","1560.2","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[VO2(L50]CH3OH H2O","3-{[2-(4-fluorobenzoyl)hydrazono]methyl}-4-hydroxybenzyl} triphenylphosphonium chloride vanadium (V) dioxido complex","","- C34 H31 F N2 O6 P V -","- C34 H31 F N2 O6 P V -","- C68 H62 F2 N4 O12 P2 V2 -","2","1","","Martins, Francisco Mainardi; Iglesias, Bernardo Almeida; Chaves, Otávio Augusto; Gutknecht da Silva, Jean Lucas; Leal, Daniela Bitencourt Rosa; Back, Davi Fernando","Vanadium(V) complexes derived from triphenylphosphonium and hydrazides: cytotoxicity evaluation and interaction with biomolecules.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8315","8327","10.1039/d4dt00464g","","","0.71073","MoKα","","0.0803","0.0627","","","0.1816","0.1935","","","","","","1.054","","","","has coordinates","293056","2024-07-05","16:19:18",""
"7715870","11.5892","0.0004","10.1708","0.0004","23.3468","0.0008","90","","101.77","0.001","90","","2694.06","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","([H2L3]Cl)","4-hydroxy-3-[(2-isonicotinoylhydrazono)methyl]benzyl} triphenylphosphonium chloride","","- C32 H27 Cl N3 O2 P -","- C32 H27 Cl N3 O2 P -","- C128 H108 Cl4 N12 O8 P4 -","4","1","","Martins, Francisco Mainardi; Iglesias, Bernardo Almeida; Chaves, Otávio Augusto; Gutknecht da Silva, Jean Lucas; Leal, Daniela Bitencourt Rosa; Back, Davi Fernando","Vanadium(V) complexes derived from triphenylphosphonium and hydrazides: cytotoxicity evaluation and interaction with biomolecules.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8315","8327","10.1039/d4dt00464g","","","0.71073","MoKα","","0.0924","0.0511","","","0.0979","0.1115","","","","","","1.022","","","","has coordinates","293056","2024-07-05","16:19:18",""
"7715871","8.627","0.0005","9.1258","0.0006","15.6209","0.0009","82.982","0.002","85.085","0.002","81.209","0.003","1203.44","0.13","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H34 Eu N4 Na O13 -","- C16 H34 Eu N4 Na O13 -","- C32 H68 Eu2 N8 Na2 O26 -","2","1","","Mortensen, Sabina Svava; Nielsen, Villads R. M.; Sørensen, Thomas Just","Contrasting impact of coordination polyhedra and site symmetry on the electronic energy levels in nine-coordinated Eu(III) and Sm(III) crystals structures determined from single crystal luminescence spectra.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10079","10092","10.1039/d4dt00157e","","","0.71073","MoKα","","0.0341","0.025","","","0.0467","0.0488","","","","","","1.048","","","","has coordinates","293005","2024-07-05","15:57:47",""
"7715872","17.52","0.003","8.3804","0.0013","19.059","0.003","90","","111.35","0.004","90","","2606.3","0.7","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H27 Eu Na3 O23 -","- C12 H27 Eu Na3 O23 -","- C48 H108 Eu4 Na12 O92 -","4","0.5","","Mortensen, Sabina Svava; Nielsen, Villads R. M.; Sørensen, Thomas Just","Contrasting impact of coordination polyhedra and site symmetry on the electronic energy levels in nine-coordinated Eu(III) and Sm(III) crystals structures determined from single crystal luminescence spectra.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10079","10092","10.1039/d4dt00157e","","","0.71073","MoKα","","0.0388","0.0378","","","0.1084","0.1088","","","","","","1.363","","","","has coordinates,has disorder","293005","2024-07-05","15:57:48",""
"7715873","19.3808","0.0009","35.2814","0.0017","12.0315","0.0006","90","","90","","90","","8226.9","0.7","100","","100","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C10 H28 Eu N2 Na O16 -","- C10 H28 Eu N2 Na O16 -","- C160 H448 Eu16 N32 Na16 O256 -","16","1","","Mortensen, Sabina Svava; Nielsen, Villads R. M.; Sørensen, Thomas Just","Contrasting impact of coordination polyhedra and site symmetry on the electronic energy levels in nine-coordinated Eu(III) and Sm(III) crystals structures determined from single crystal luminescence spectra.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10079","10092","10.1039/d4dt00157e","","","0.71073","MoKα","","0.0199","0.0193","","","0.0461","0.0464","","","","","","1.049","","","","has coordinates,has disorder","293005","2024-07-05","15:57:48",""
"7715874","19.459","0.003","35.397","0.006","12.032","0.002","90","","90","","90","","8288","2","100","","100","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C10 H28 N2 Na O16 Sm -","- C10 H28 N2 Na O16 Sm -","- C160 H448 N32 Na16 O256 Sm16 -","16","1","","Mortensen, Sabina Svava; Nielsen, Villads R. M.; Sørensen, Thomas Just","Contrasting impact of coordination polyhedra and site symmetry on the electronic energy levels in nine-coordinated Eu(III) and Sm(III) crystals structures determined from single crystal luminescence spectra.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10079","10092","10.1039/d4dt00157e","","","0.71073","MoKα","","0.0268","0.0236","","","0.0505","0.0516","","","","","","1.013","","","","has coordinates,has disorder","293005","2024-07-05","15:57:48",""
"7715875","10.0017","0.0013","18.033","0.003","18.53","0.003","90","","90","","90","","3342.1","0.9","100","","100","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C21 H23 Cs3 N3 O21 Sm -","- C21 H23 Cs3 N3 O21 Sm -","- C84 H92 Cs12 N12 O84 Sm4 -","4","0.5","","Mortensen, Sabina Svava; Nielsen, Villads R. M.; Sørensen, Thomas Just","Contrasting impact of coordination polyhedra and site symmetry on the electronic energy levels in nine-coordinated Eu(III) and Sm(III) crystals structures determined from single crystal luminescence spectra.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10079","10092","10.1039/d4dt00157e","","","0.71073","MoKα","","0.0284","0.0244","","","0.0617","0.0637","","","","","","1.068","","","","has coordinates,has disorder","293005","2024-07-05","15:57:48",""
"7715876","8.6233","0.0008","9.1615","0.0008","15.6526","0.0014","82.938","0.003","84.975","0.003","80.994","0.003","1209.13","0.19","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H34 N4 Na O13 Sm -","- C16 H34 N4 Na O13 Sm -","- C32 H68 N8 Na2 O26 Sm2 -","2","1","","Mortensen, Sabina Svava; Nielsen, Villads R. M.; Sørensen, Thomas Just","Contrasting impact of coordination polyhedra and site symmetry on the electronic energy levels in nine-coordinated Eu(III) and Sm(III) crystals structures determined from single crystal luminescence spectra.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10079","10092","10.1039/d4dt00157e","","","0.71073","MoKα","","0.0249","0.02","","","0.0435","0.045","","","","","","1.066","","","","has coordinates","293005","2024-07-05","15:57:48",""
"7715877","17.59","0.0013","8.3808","0.0006","19.0418","0.0016","90","","111.266","0.003","90","","2616","0.4","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H28 Na3 O23 Sm -","- C12 H28 Na3 O23 Sm -","- C48 H112 Na12 O92 Sm4 -","4","1","","Mortensen, Sabina Svava; Nielsen, Villads R. M.; Sørensen, Thomas Just","Contrasting impact of coordination polyhedra and site symmetry on the electronic energy levels in nine-coordinated Eu(III) and Sm(III) crystals structures determined from single crystal luminescence spectra.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10079","10092","10.1039/d4dt00157e","","","0.71073","MoKα","","0.027","0.0226","","","0.0425","0.0437","","","","","","1.046","","","","has coordinates","293005","2024-07-05","15:57:48",""
"7715878","25.9468","0.0006","13.8283","0.0002","24.2672","0.0005","90","","112.536","0.003","90","","8042.2","0.3","149.99","0.1","149.99","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H41 Cl Ir N6 O1.5 -","- C38 H26 Cl Ir N6 -","- C304 H208 Cl8 Ir8 N48 -","8","1","","Hashemzadeh, Tahmineh; Christofferson, Andrew J.; White, Keith F.; Barnard, Peter J.","Experimental and theoretical studies of pH-responsive iridium(III) complexes of azole and N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8478","8493","10.1039/d3dt03766e","","x-ray","1.54184","CuKα","","0.0548","0.0531","","","0.1443","0.1469","","","","","","1.115","","","","has coordinates","293063","2024-07-05","16:22:12",""
"7715879","17.64348","0.00009","8.6604","0.00004","22.95688","0.00013","90","","90","","90","","3507.8","0.03","149.99","0.1","149.99","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C40 H36 Cl Ir N6 O -","- C40 H36 Cl Ir N6 O -","- C160 H144 Cl4 Ir4 N24 O4 -","4","1","","Hashemzadeh, Tahmineh; Christofferson, Andrew J.; White, Keith F.; Barnard, Peter J.","Experimental and theoretical studies of pH-responsive iridium(III) complexes of azole and N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8478","8493","10.1039/d3dt03766e","","","1.54184","CuKα","","0.02","0.0199","","","0.0514","0.0515","","","","","","1.037","","","","has coordinates","293063","2024-07-05","16:22:13",""
"7715880","9.2393","0.0002","28.2368","0.0003","16.1627","0.0004","90","","132.839","0.004","90","","3091.9","0.2","159","40","160","40","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 Cl Ir N5 O2 -","- C34 H29 Cl Ir N5 O2 -","- C136 H116 Cl4 Ir4 N20 O8 -","4","1","","Hashemzadeh, Tahmineh; Christofferson, Andrew J.; White, Keith F.; Barnard, Peter J.","Experimental and theoretical studies of pH-responsive iridium(III) complexes of azole and N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8478","8493","10.1039/d3dt03766e","","","1.54184","CuKα","","0.0304","0.0298","","","0.0689","0.069","","","","","","1.11","","","","has coordinates","293063","2024-07-05","16:22:13",""
"7715881","28.0735","0.0004","28.0735","0.0004","8.9606","0.0002","90","","90","","90","","7062","0.2","149.98","0.1","149.98","0.1","","","","","","","","6","P -4 b 2","P -4 -2ab","117","","","","- C37 H36 Cl Ir N5 O2.5 -","- C36 H29 Cl Ir N5 -","- C288 H232 Cl8 Ir8 N40 -","8","1","","Hashemzadeh, Tahmineh; Christofferson, Andrew J.; White, Keith F.; Barnard, Peter J.","Experimental and theoretical studies of pH-responsive iridium(III) complexes of azole and N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8478","8493","10.1039/d3dt03766e","","x-ray","0.71073","MoKα","","0.0715","0.0534","","","0.1217","0.1282","","","","","","1.03","","","","has coordinates","293063","2024-07-05","16:22:13",""
"7715882","8.6419","0.0001","32.2748","0.0005","10.5786","0.0002","90","","99.392","0.002","90","","2910.98","0.08","180","40","180","40","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 Cl Ir N7 -","- C32 H27 Cl Ir N7 -","- C128 H108 Cl4 Ir4 N28 -","4","1","","Hashemzadeh, Tahmineh; Christofferson, Andrew J.; White, Keith F.; Barnard, Peter J.","Experimental and theoretical studies of pH-responsive iridium(III) complexes of azole and N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8478","8493","10.1039/d3dt03766e","","x-ray","1.54184","CuKα","","0.0345","0.034","","","0.0814","0.0818","","","","","","1.183","","","","has coordinates","293063","2024-07-05","16:22:13",""
"7715883","15.3641","0.0001","24.4988","0.0002","25.6724","0.0002","90","","96.397","0.001","90","","9602.98","0.13","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H33.82 K8 Mo16 N24 O53.85 -","- C24 H33.818 K8 Mo16 N24 O53.845 -","- C96 H135.272 K32 Mo64 N96 O215.38 -","4","1","","Dai, Ru-Dan; Xie, Zhen-Lang; Liu, Cheng; Xin, Dong; Zhou, Zhao-Hui","Crown ether-like octanuclear molybdenum(V) clusters for cation binding and gas adsorption.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","8980","8987","10.1039/d4dt00825a","","x-ray","1.54184","CuKα","","0.0481","0.0441","","","0.116","0.1195","","","","","","1.013","","","","has coordinates,has disorder","293144","2024-07-05","16:59:18",""
"7715884","18.2472","0.0007","18.2472","0.0007","10.4717","0.0012","90","","90","","90","","3486.7","0.4","100","0.1","100","0.1","","","","","","","","6","I 4/m","-I 4","87","","","","- C24 H77 Mo8 N24 Na2 O40.5 -","- C24 H36 Mo8 N24 Na2 O20 -","- C48 H72 Mo16 N48 Na4 O40 -","2","0.125","","Dai, Ru-Dan; Xie, Zhen-Lang; Liu, Cheng; Xin, Dong; Zhou, Zhao-Hui","Crown ether-like octanuclear molybdenum(V) clusters for cation binding and gas adsorption.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","8980","8987","10.1039/d4dt00825a","","x-ray","1.54184","CuKα","","0.0536","0.0469","","","0.1339","0.1388","","","","","","1.056","","","","has coordinates,has disorder","293144","2024-07-05","16:59:18",""
"7715885","32.8779","0.0002","32.8779","0.0002","20.694","0.0002","90","","90","","90","","22369.3","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C24 H29 Mo16 N23 Na2 O49 -","- C24 H32 Mo16 N24 Na2 O49 -","- C192 H256 Mo128 N192 Na16 O392 -","8","1","","Dai, Ru-Dan; Xie, Zhen-Lang; Liu, Cheng; Xin, Dong; Zhou, Zhao-Hui","Crown ether-like octanuclear molybdenum(V) clusters for cation binding and gas adsorption.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","8980","8987","10.1039/d4dt00825a","","x-ray","1.54184","CuKα","","0.0594","0.0506","","","0.1302","0.1356","","","","","","1.056","","","","has coordinates,has disorder","293144","2024-07-05","16:59:18",""
"7715886","14.0492","0.0004","14.0492","0.0004","10.1802","0.0003","90","","90","","90","","2009.37","0.1","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C12 H43 B17 Mg N4 O30 -","- B17 Mg O30 -","- B34 Mg2 O60 -","2","0.25","","Volkov, Sergey; Yukhno, Valentina; Banaru, Alexander; Deyneko, Dina; Aksenov, Sergey; Charkin, Dmitri; Povolotskiy, Alexey; Savchenko, Yevgeny; Antonov, Andrey; Krzhizhanovskaya, Maria; Ugolkov, Valery; Firsova, Vera; Vaitieva, Yulia; Boldyrev, Kirill; Bubnova, Rimma","Magnesium cations as templates for the self-assembly of supramolecular luminescent {Mg@[B<sub>18</sub>φ<sub>34-35</sub>]}-clusters.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8112","8117","10.1039/d3dt04048h","","x-ray","0.71073","MoKα","","0.0682","0.0587","","","0.1615","0.1668","","","","","","1.085","","","","has coordinates","293051","2024-07-05","16:17:17",""
"7715887","19.5105","0.001","19.9572","0.0008","21.3269","0.0011","90","","91.091","0.005","90","","8302.7","0.7","100","0.2","100","0.2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- B17 Mg O30.5 -","- B17 Mg O30.5 -","- B136 Mg8 O244 -","8","4","","Volkov, Sergey; Yukhno, Valentina; Banaru, Alexander; Deyneko, Dina; Aksenov, Sergey; Charkin, Dmitri; Povolotskiy, Alexey; Savchenko, Yevgeny; Antonov, Andrey; Krzhizhanovskaya, Maria; Ugolkov, Valery; Firsova, Vera; Vaitieva, Yulia; Boldyrev, Kirill; Bubnova, Rimma","Magnesium cations as templates for the self-assembly of supramolecular luminescent {Mg@[B<sub>18</sub>φ<sub>34-35</sub>]}-clusters.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8112","8117","10.1039/d3dt04048h","","x-ray","0.71073","MoKα","","0.1687","0.0988","","","0.2447","0.2969","","","","","","0.96","","","","has coordinates","293051","2024-07-05","16:17:18",""
"7715888","19.6909","0.001","15.975","0.0008","22.8241","0.001","90","","90.418","0.004","90","","7179.4","0.6","100","0.4","100","0.4","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H41 B17 Mg N4.5 O31.5 -","- B17 Mg O30 -","- B136 Mg8 O240 -","8","2","","Volkov, Sergey; Yukhno, Valentina; Banaru, Alexander; Deyneko, Dina; Aksenov, Sergey; Charkin, Dmitri; Povolotskiy, Alexey; Savchenko, Yevgeny; Antonov, Andrey; Krzhizhanovskaya, Maria; Ugolkov, Valery; Firsova, Vera; Vaitieva, Yulia; Boldyrev, Kirill; Bubnova, Rimma","Magnesium cations as templates for the self-assembly of supramolecular luminescent {Mg@[B<sub>18</sub>φ<sub>34-35</sub>]}-clusters.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8112","8117","10.1039/d3dt04048h","","x-ray","0.71073","MoKα","","0.1072","0.0995","","","0.2541","0.2635","","","","","","1.202","","","","has coordinates","293051","2024-07-05","16:17:18",""
"7715889","16.1163","0.0006","16.1163","0.0006","10.0685","0.0006","90","","90","","90","","2615.1","0.2","296.3","0.9","296.3","0.9","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C19 H68 B17 Mg N9 O28 -","- B17 Mg O28 -","- B34 Mg2 O56 -","2","0.25","","Volkov, Sergey; Yukhno, Valentina; Banaru, Alexander; Deyneko, Dina; Aksenov, Sergey; Charkin, Dmitri; Povolotskiy, Alexey; Savchenko, Yevgeny; Antonov, Andrey; Krzhizhanovskaya, Maria; Ugolkov, Valery; Firsova, Vera; Vaitieva, Yulia; Boldyrev, Kirill; Bubnova, Rimma","Magnesium cations as templates for the self-assembly of supramolecular luminescent {Mg@[B<sub>18</sub>φ<sub>34-35</sub>]}-clusters.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8112","8117","10.1039/d3dt04048h","","x-ray","0.71073","MoKα","","0.0491","0.0336","","","0.076","0.0815","","","","","","0.9012","","","","has coordinates","293051","2024-07-05","16:17:18",""
"7715890","22.4695","0.0003","22.4695","0.0003","10.1408","0.0005","90","","90","","90","","5119.9","0.3","298.5","0.3","298.5","0.3","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C24 H82 B17 Mg N9 O30 -","- B17 Mg O28 -","- B68 Mg4 O112 -","4","0.25","","Volkov, Sergey; Yukhno, Valentina; Banaru, Alexander; Deyneko, Dina; Aksenov, Sergey; Charkin, Dmitri; Povolotskiy, Alexey; Savchenko, Yevgeny; Antonov, Andrey; Krzhizhanovskaya, Maria; Ugolkov, Valery; Firsova, Vera; Vaitieva, Yulia; Boldyrev, Kirill; Bubnova, Rimma","Magnesium cations as templates for the self-assembly of supramolecular luminescent {Mg@[B<sub>18</sub>φ<sub>34-35</sub>]}-clusters.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8112","8117","10.1039/d3dt04048h","","x-ray","1.54184","CuKα","","0.0435","0.0314","","","0.08","0.0862","","","","","","0.9844","","","","has coordinates","293051","2024-07-05","16:17:18",""
"7715891","14.33587","0.00019","19.9667","0.0003","14.4962","0.0002","90","","94.5979","0.0013","90","","4136.04","0.1","266","30","266","30","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H41.5 B17 Mg N4.5 O31.5 -","- B17 Mg O30.5 -","- B68 Mg4 O122 -","4","2","","Volkov, Sergey; Yukhno, Valentina; Banaru, Alexander; Deyneko, Dina; Aksenov, Sergey; Charkin, Dmitri; Povolotskiy, Alexey; Savchenko, Yevgeny; Antonov, Andrey; Krzhizhanovskaya, Maria; Ugolkov, Valery; Firsova, Vera; Vaitieva, Yulia; Boldyrev, Kirill; Bubnova, Rimma","Magnesium cations as templates for the self-assembly of supramolecular luminescent {Mg@[B<sub>18</sub>φ<sub>34-35</sub>]}-clusters.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8112","8117","10.1039/d3dt04048h","","x-ray","1.54184","CuKα","","0.0568","0.0544","","","0.1557","0.1583","","","","","","1.0168","","","","has coordinates","293051","2024-07-05","16:17:18",""
"7715892","11.7547","0.0005","13.2058","0.0005","13.46","0.0004","104.532","0.003","106.887","0.003","105.274","0.003","1803.26","0.14","150","0.1","150","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C30 H30 Co F3 N3 Na2 O9 S -","- C30 H30 Co F3 N3 Na2 O9 S -","- C60 H60 Co2 F6 N6 Na4 O18 S2 -","2","1","","Neumann, Till; Thompson, Benedict C.; Hebron, Denny; Graycon, Daniel M.; Collauto, Alberto; Roessler, Maxie M.; Wilson, Daniel W. N.; Musgrave, Rebecca A.","Heterobimetallic 3d-4f complexes supported by a Schiff-base tripodal ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9921","9932","10.1039/d3dt03760f","","x-ray","1.54184","CuKα","","0.0452","0.0409","","","0.1059","0.1085","","","","","","1.03","","","","has coordinates","293123","2024-07-05","16:49:36",""
"7715893","11.6556","0.0005","13.3317","0.0005","13.5391","0.0006","104.826","0.004","106.697","0.004","105.433","0.004","1812.26","0.16","150","0.1","150","0.1","","","","","","","","8","P -1","-P 1","2","","exp_603","","- C34 H36 F3 Mn N5 Na2 O9 S -","- C30 H30 F3 Mn N3 Na2 O9 S -","- C60 H60 F6 Mn2 N6 Na4 O18 S2 -","2","1","","Neumann, Till; Thompson, Benedict C.; Hebron, Denny; Graycon, Daniel M.; Collauto, Alberto; Roessler, Maxie M.; Wilson, Daniel W. N.; Musgrave, Rebecca A.","Heterobimetallic 3d-4f complexes supported by a Schiff-base tripodal ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9921","9932","10.1039/d3dt03760f","","x-ray","1.54184","CuKα","","0.0536","0.0504","","","0.1428","0.1473","","","","","","1.048","","","","has coordinates","293123","2024-07-05","16:49:36",""
"7715894","16.0537","0.0002","13.0153","0.0002","19.075","0.0002","90","","99.748","0.001","90","","3928.06","0.09","150.01","0.1","150.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 F6 La Mn N4 O12 S2 -","- C33 H33 F6 La Mn N4 O12 S2 -","- C132 H132 F24 La4 Mn4 N16 O48 S8 -","4","1","","Neumann, Till; Thompson, Benedict C.; Hebron, Denny; Graycon, Daniel M.; Collauto, Alberto; Roessler, Maxie M.; Wilson, Daniel W. N.; Musgrave, Rebecca A.","Heterobimetallic 3d-4f complexes supported by a Schiff-base tripodal ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9921","9932","10.1039/d3dt03760f","","","1.54184","CuKα","","0.0392","0.0358","","","0.0919","0.0952","","","","","","1.0491","","","","has coordinates","293123","2024-07-05","16:49:36",""
"7715895","16.067","0.0001","13.0765","0.0001","16.7696","0.0001","90","","101.815","0.001","90","","3448.65","0.04","150","0.1","150","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32 H33 F3 La N4 Na O9 S -","- C32 H33 F3 La N4 Na O9 S -","- C128 H132 F12 La4 N16 Na4 O36 S4 -","4","1","","Neumann, Till; Thompson, Benedict C.; Hebron, Denny; Graycon, Daniel M.; Collauto, Alberto; Roessler, Maxie M.; Wilson, Daniel W. N.; Musgrave, Rebecca A.","Heterobimetallic 3d-4f complexes supported by a Schiff-base tripodal ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9921","9932","10.1039/d3dt03760f","","x-ray","1.54184","CuKα","","0.02","0.0194","","","0.0504","0.0508","","","","","","1.0522","","","","has coordinates","293123","2024-07-05","16:49:36",""
"7715896","13.4835","0.0001","12.9504","0.0001","22.0541","0.0002","90","","93.32","0.001","90","","3844.55","0.05","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 Co F6 La N4 O12 S2 -","- C33 H33 Co F6 La N4 O12 S2 -","- C132 H132 Co4 F24 La4 N16 O48 S8 -","4","1","","Neumann, Till; Thompson, Benedict C.; Hebron, Denny; Graycon, Daniel M.; Collauto, Alberto; Roessler, Maxie M.; Wilson, Daniel W. N.; Musgrave, Rebecca A.","Heterobimetallic 3d-4f complexes supported by a Schiff-base tripodal ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9921","9932","10.1039/d3dt03760f","","x-ray","1.54184","CuKα","","0.0227","0.0218","","","0.0541","0.0546","","","","","","1.0503","","","","has coordinates","293123","2024-07-05","16:49:36",""
"7715897","9.2277","0.0006","10.525","0.0006","15.0648","0.0006","94.888","0.004","93.429","0.004","116.505","0.006","1296.7","0.14","180","0.14","180","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Fe N11 O2 Pd -","- C24 H19 Fe N11 O2 Pd -","- C48 H38 Fe2 N22 O4 Pd2 -","2","1","","Visinescu, Diana; Shylin, Sergii I.; Shova, Sergiu; Novitchi, Ghenadie; Popescu, Delia-Laura; Alexandru, Maria-Gabriela","New cyanido-bridged iron(II) spin crossover coordination polymers with an unusual ladder-like topology: an alternative to Hofmann clathrates.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","9062","9071","10.1039/d4dt00870g","","x-ray","0.71073","MoKα","","0.0523","0.0386","","","0.0665","0.0712","","","","","","1.04","","","","has coordinates,has disorder","293152","2024-07-05","17:01:02",""
"7715898","9.1702","0.0006","10.393","0.0006","15.0356","0.001","94.756","0.005","94.062","0.005","115.99","0.006","1274.41","0.16","101","2","101","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Fe N11 O2 Pd -","- C24 H19 Fe N11 O2 Pd -","- C48 H38 Fe2 N22 O4 Pd2 -","2","1","","Visinescu, Diana; Shylin, Sergii I.; Shova, Sergiu; Novitchi, Ghenadie; Popescu, Delia-Laura; Alexandru, Maria-Gabriela","New cyanido-bridged iron(II) spin crossover coordination polymers with an unusual ladder-like topology: an alternative to Hofmann clathrates.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","9062","9071","10.1039/d4dt00870g","","x-ray","0.71073","MoKα","","0.0462","0.0419","","","0.1182","0.1226","","","","","","1.061","","","","has coordinates,has disorder","293152","2024-07-05","17:01:02",""
"7715899","9.84","0.0008","11.7209","0.0009","18.2393","0.0015","101.995","0.007","93.012","0.007","102.09","0.006","2001.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H31.33 Fe N16 O3.17 Pd -","- C40 H31.3332 Fe N16 O3.1666 Pd -","- C80 H62.6664 Fe2 N32 O6.3332 Pd2 -","2","1","","Visinescu, Diana; Shylin, Sergii I.; Shova, Sergiu; Novitchi, Ghenadie; Popescu, Delia-Laura; Alexandru, Maria-Gabriela","New cyanido-bridged iron(II) spin crossover coordination polymers with an unusual ladder-like topology: an alternative to Hofmann clathrates.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","9062","9071","10.1039/d4dt00870g","","","0.71073","MoKα","","0.0995","0.0628","","","0.1392","0.1495","","","","","","1.026","","","","has coordinates,has disorder","293152","2024-07-05","17:01:02",""
"7715900","9.75831","0.00017","11.66423","0.00018","18.0933","0.0003","102.369","0.0013","92.7038","0.0014","102.372","0.0014","1955.54","0.06","101.15","","101.15","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H31 Fe N16 O3.5 Pt -","- C40 H31 Fe N16 O3.5 Pt -","- C80 H62 Fe2 N32 O7 Pt2 -","2","1","","Visinescu, Diana; Shylin, Sergii I.; Shova, Sergiu; Novitchi, Ghenadie; Popescu, Delia-Laura; Alexandru, Maria-Gabriela","New cyanido-bridged iron(II) spin crossover coordination polymers with an unusual ladder-like topology: an alternative to Hofmann clathrates.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","9062","9071","10.1039/d4dt00870g","","","0.71073","MoKα","","0.0577","0.0509","","","0.1603","0.1663","","","","","","1.011","","","","has coordinates,has disorder","293152","2024-07-05","17:01:02",""
"7715901","9.2213","0.0008","10.5204","0.0007","15.0384","0.0013","95.003","0.003","93.519","0.002","116.499","0.014","1292.4","0.2","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Fe N11 O2 Pt -","- C23.9999 H18.9997 Fe N10.9999 O2 Pt -","- C47.9998 H37.9994 Fe2 N21.9998 O4 Pt2 -","2","1","","Visinescu, Diana; Shylin, Sergii I.; Shova, Sergiu; Novitchi, Ghenadie; Popescu, Delia-Laura; Alexandru, Maria-Gabriela","New cyanido-bridged iron(II) spin crossover coordination polymers with an unusual ladder-like topology: an alternative to Hofmann clathrates.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","9062","9071","10.1039/d4dt00870g","","","0.71073","MoKα","","0.0141","0.0131","","","0.0312","0.0316","","","","","","1.03","","","","has coordinates,has disorder","293152","2024-07-05","17:01:02",""
"7715902","56.2329","0.0005","39.4759","0.0004","8.4977","0.0001","90","","90","","90","","18863.6","0.3","172.99","0.1","172.99","0.1","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C30 H22 N6 Ni -","- C30 H22 N6 Ni -","- C960 H704 N192 Ni32 -","32","2","","Cabrera-Lobera, Natalia; Del Horno, Estefanía; Quirós, M Teresa; Buñuel, Elena; Gimeno, Magali; Brennessel, William W.; Neidig, Michael L.; Priego, José Luis; Cárdenas, Diego J","Ni(2,2':6',2''-terpyridine)<sub>2</sub>: a high-spin octahedral formal Ni(0) complex.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8550","8554","10.1039/d3dt04247b","","x-ray","1.54184","CuKα","","0.0333","0.0327","","","0.0928","0.0935","","","","","","1.061","","","","has coordinates","293093","2024-07-05","16:36:34",""
"7715903","10.341","0.002","13.39","0.003","17.753","0.003","90","","93.587","0.003","90","","2453.4","0.8","273","2","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cu Gd N5 O13 -","- C18 H20 Cu Gd N5 O13 -","- C72 H80 Cu4 Gd4 N20 O52 -","4","1","","Bhunia, Pradip; Maity, Souvik; Ghosh, Tanmoy Kumar; Mondal, Arpan; Mayans, Júlia; Ghosh, Ashutosh","Cu(II)-Ln(III) (Ln = Gd, Tb and Dy) complexes of an unsymmetrical N<sub>2</sub>O<sub>3</sub> donor ligand: field induced SMM behaviour of Cu(II)-Tb(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","9171","9182","10.1039/d4dt00304g","","","0.71073","MoKα","","0.041","0.0309","","","0.0694","0.0778","","","","","","1.0933","","","","has coordinates","293142","2024-07-05","16:58:28",""
"7715904","10.203","0.0009","21.1661","0.0017","18.4262","0.0016","90","","102.026","0.003","90","","3891.9","0.6","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33.998 H33.998 Cu2 N7 O16 Tb -","- C33.9983 H33.9984 Cu2 N6.9998 O15.9997 Tb -","- C135.993 H135.994 Cu8 N27.9992 O63.9988 Tb4 -","4","1","","Bhunia, Pradip; Maity, Souvik; Ghosh, Tanmoy Kumar; Mondal, Arpan; Mayans, Júlia; Ghosh, Ashutosh","Cu(II)-Ln(III) (Ln = Gd, Tb and Dy) complexes of an unsymmetrical N<sub>2</sub>O<sub>3</sub> donor ligand: field induced SMM behaviour of Cu(II)-Tb(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","9171","9182","10.1039/d4dt00304g","","","0.71073","MoKα","","0.1537","0.1207","","","0.2666","0.2875","","","","","","1.0841","","","","has coordinates,has disorder","293142","2024-07-05","16:58:29",""
"7715905","10.2493","0.001","21.151","0.002","18.4526","0.0018","90","","101.83","0.003","90","","3915.2","0.7","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33.998 H33.998 Cu2 Dy N7 O16 -","- C33.9983 H33.9984 Cu2 Dy N6.9998 O15.9997 -","- C135.993 H135.994 Cu8 Dy4 N27.9992 O63.9988 -","4","1","","Bhunia, Pradip; Maity, Souvik; Ghosh, Tanmoy Kumar; Mondal, Arpan; Mayans, Júlia; Ghosh, Ashutosh","Cu(II)-Ln(III) (Ln = Gd, Tb and Dy) complexes of an unsymmetrical N<sub>2</sub>O<sub>3</sub> donor ligand: field induced SMM behaviour of Cu(II)-Tb(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","9171","9182","10.1039/d4dt00304g","","","0.71073","MoKα","","0.1367","0.0982","","","0.2133","0.2372","","","","","","1.0843","","","","has coordinates,has disorder","293142","2024-07-05","16:58:37",""
"7715906","9.48","0.0013","21.078","0.003","17.495","0.003","90","","104.272","0.009","90","","3387.9","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H54 Cd4 N4 O25 -","- C68 H54 Cd4 N4 O25 -","- C136 H108 Cd8 N8 O50 -","2","0.5","","Huang, Li; Li, Xiao-Nan; Shen, Yuan; Hua, Yang; Song, Run-Hong; Cui, Wen-Bo; Li, Zi-Yi; Zhang, Hong","Tunable photo/thermochromic properties of Cd(II)-viologen coordination polymers modulated by coordination modes for flexible imaging films and anti-counterfeiting.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8803","8811","10.1039/d4dt00764f","","","1.54178","CuKα","","0.0682","0.0588","","","0.141","0.1476","","","","","","1.034","","","","has coordinates","293089","2024-07-05","16:35:36",""
"7715907","13.692","0.0004","18.1108","0.0005","18.0526","0.0007","90","","131.224","0.002","90","","3367","0.2","100.7","","100.7","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Cd Cl N5 O12 -","- C34 H30 Cd Cl N5 O12 -","- C136 H120 Cd4 Cl4 N20 O48 -","4","1","","Huang, Li; Li, Xiao-Nan; Shen, Yuan; Hua, Yang; Song, Run-Hong; Cui, Wen-Bo; Li, Zi-Yi; Zhang, Hong","Tunable photo/thermochromic properties of Cd(II)-viologen coordination polymers modulated by coordination modes for flexible imaging films and anti-counterfeiting.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8803","8811","10.1039/d4dt00764f","","x-ray","0.71073","MoKα","K-L~3~","0.0604","0.045","","","0.1096","0.1178","","","","","","1.056","","","","has coordinates,has disorder","293089","2024-07-05","16:35:36",""
"7715908","11.4818","0.0008","9.5626","0.0006","19.8586","0.0013","90","","100.978","0.002","90","","2140.5","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Cl Fe P Pd -","- C25 H22 Cl Fe P Pd -","- C100 H88 Cl4 Fe4 P4 Pd4 -","4","1","","Škoch, Karel; Antala, Jakub; Císařová, Ivana; Štěpnička, Petr","Synthesis and catalytic properties of palladium(II) complexes with P,π-chelating ferrocene phosphinoallyl ligands and their non-tethered analogues.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8722","8731","10.1039/d4dt00961d","","","0.71073","MoKα","","0.033","0.0281","","","0.0642","0.0669","","","","","","1.056","","","","has coordinates","293090","2024-07-05","16:35:48",""
"7715909","30.9968","0.0007","30.9968","0.0007","12.8371","0.0004","90","","90","","120","","10681.5","0.5","120","2","120","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C26.2 H36.8 Cl Fe P Pd -","- C25 H34 Cl Fe P Pd -","- C450 H612 Cl18 Fe18 P18 Pd18 -","18","1","","Škoch, Karel; Antala, Jakub; Císařová, Ivana; Štěpnička, Petr","Synthesis and catalytic properties of palladium(II) complexes with P,π-chelating ferrocene phosphinoallyl ligands and their non-tethered analogues.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8722","8731","10.1039/d4dt00961d","","","0.71073","MoKα","","0.0212","0.0197","","","0.0468","0.0476","","","","","","1.079","","","","has coordinates,has disorder","293090","2024-07-05","16:35:49",""
"7715910","10.7499","0.0002","15.705","0.0003","26.8932","0.0006","90","","101.056","0.002","90","","4456.04","0.16","240","2","240","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H62 Co0.5 N3 Ni0.5 O5 -","- C43 H62 Co0.5 N3 Ni0.5 O5 -","- C172 H248 Co2 N12 Ni2 O20 -","4","1","","Bubnov, Michael P.; Zolotukhin, Alexey A.; Fukin, Georgy K.; Rumyantcev, Roman V.; Bogomyakov, Artem S.","Valence tautomeric interconversion of bis-dioxolene cobalt complex with imino-pyridine functionalized by TEMPO moiety in solid solutions with isostructural nickel analogue: phase transitions and monocrystal destruction.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","9151","9160","10.1039/d4dt00453a","","","0.71073","MoKα","","0.0538","0.0351","","","0.0836","0.0938","","","","","","1.032","","","","has coordinates,has disorder","293143","2024-07-05","16:59:02",""
"7715911","10.7509","0.0002","15.6732","0.0003","26.9924","0.0006","90","","100.866","0.002","90","","4466.7","0.16","240","2","240","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H62 Co0.2 N3 Ni0.8 O5 -","- C43 H62 Co0.2 N3 Ni0.8 O5 -","- C172 H248 Co0.8 N12 Ni3.2 O20 -","4","1","","Bubnov, Michael P.; Zolotukhin, Alexey A.; Fukin, Georgy K.; Rumyantcev, Roman V.; Bogomyakov, Artem S.","Valence tautomeric interconversion of bis-dioxolene cobalt complex with imino-pyridine functionalized by TEMPO moiety in solid solutions with isostructural nickel analogue: phase transitions and monocrystal destruction.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","9151","9160","10.1039/d4dt00453a","","","0.71073","MoKα","","0.0491","0.0353","","","0.082","0.0893","","","","","","1.02","","","","has coordinates,has disorder","293143","2024-07-05","16:59:02",""
"7715912","10.7388","0.0002","15.6003","0.0002","26.9877","0.0005","90","","100.788","0.002","90","","4441.3","0.13","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H62 Co0.2 N3 Ni0.8 O5 -","- C43 H62 Co0.2 N3 Ni0.8 O5 -","- C172 H248 Co0.8 N12 Ni3.2 O20 -","4","1","","Bubnov, Michael P.; Zolotukhin, Alexey A.; Fukin, Georgy K.; Rumyantcev, Roman V.; Bogomyakov, Artem S.","Valence tautomeric interconversion of bis-dioxolene cobalt complex with imino-pyridine functionalized by TEMPO moiety in solid solutions with isostructural nickel analogue: phase transitions and monocrystal destruction.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","9151","9160","10.1039/d4dt00453a","","","0.71073","MoKα","","0.0435","0.0328","","","0.076","0.0815","","","","","","1.024","","","","has coordinates,has disorder","293143","2024-07-05","16:59:03",""
"7715913","10.7123","0.0002","15.4635","0.0002","26.9889","0.0005","90","","100.441","0.002","90","","4396.68","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H62 Co0.2 N3 Ni0.8 O5 -","- C43 H62 Co0.2 N3 Ni0.8 O5 -","- C172 H248 Co0.8 N12 Ni3.2 O20 -","4","1","","Bubnov, Michael P.; Zolotukhin, Alexey A.; Fukin, Georgy K.; Rumyantcev, Roman V.; Bogomyakov, Artem S.","Valence tautomeric interconversion of bis-dioxolene cobalt complex with imino-pyridine functionalized by TEMPO moiety in solid solutions with isostructural nickel analogue: phase transitions and monocrystal destruction.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","9151","9160","10.1039/d4dt00453a","","","0.71073","MoKα","","0.0397","0.0314","","","0.0711","0.0749","","","","","","1.031","","","","has coordinates,has disorder","293143","2024-07-05","16:59:03",""
"7715914","10.761","0.0005","15.6753","0.0006","27.0721","0.0011","90","","100.755","0.004","90","","4486.4","0.3","240","2","240","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H62 Co0.11 N3 Ni0.89 O5 -","- C43 H62 Co0.1111 N3 Ni0.8889 O5 -","- C172 H248 Co0.4444 N12 Ni3.5556 O20 -","4","1","","Bubnov, Michael P.; Zolotukhin, Alexey A.; Fukin, Georgy K.; Rumyantcev, Roman V.; Bogomyakov, Artem S.","Valence tautomeric interconversion of bis-dioxolene cobalt complex with imino-pyridine functionalized by TEMPO moiety in solid solutions with isostructural nickel analogue: phase transitions and monocrystal destruction.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","9151","9160","10.1039/d4dt00453a","","","0.71073","MoKα","","0.1117","0.0526","","","0.0905","0.1036","","","","","","0.987","","","","has coordinates,has disorder","293143","2024-07-05","16:59:03",""
"7715915","10.7426","0.0003","15.6134","0.0004","27.0073","0.0007","90","","100.807","0.002","90","","4449.6","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H62 Co0.11 N3 Ni0.89 O5 -","- C43 H62 Co0.1111 N3 Ni0.8889 O5 -","- C172 H248 Co0.4444 N12 Ni3.5556 O20 -","4","1","","Bubnov, Michael P.; Zolotukhin, Alexey A.; Fukin, Georgy K.; Rumyantcev, Roman V.; Bogomyakov, Artem S.","Valence tautomeric interconversion of bis-dioxolene cobalt complex with imino-pyridine functionalized by TEMPO moiety in solid solutions with isostructural nickel analogue: phase transitions and monocrystal destruction.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","9151","9160","10.1039/d4dt00453a","","","0.71073","MoKα","","0.0752","0.0437","","","0.0895","0.0989","","","","","","1.04","","","","has coordinates,has disorder","293143","2024-07-05","16:59:03",""
"7715916","10.7157","0.0005","15.5691","0.0008","26.9871","0.0013","90","","100.689","0.0009","90","","4424.2","0.4","240","2","240","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H62 N3 Ni O5 -","- C43 H62 N3 Ni O5 -","- C172 H248 N12 Ni4 O20 -","4","1","","Bubnov, Michael P.; Zolotukhin, Alexey A.; Fukin, Georgy K.; Rumyantcev, Roman V.; Bogomyakov, Artem S.","Valence tautomeric interconversion of bis-dioxolene cobalt complex with imino-pyridine functionalized by TEMPO moiety in solid solutions with isostructural nickel analogue: phase transitions and monocrystal destruction.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","9151","9160","10.1039/d4dt00453a","","","0.71073","MoKα","","0.0624","0.0462","","","0.1154","0.1246","","","","","","1.043","","","","has coordinates","293143","2024-07-05","16:59:03",""
"7715917","10.7053","0.0002","15.476","0.0002","26.9999","0.0005","90","","100.978","0.002","90","","4391.36","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H62 N3 Ni O5 -","- C43 H62 N3 Ni O5 -","- C172 H248 N12 Ni4 O20 -","4","1","","Bubnov, Michael P.; Zolotukhin, Alexey A.; Fukin, Georgy K.; Rumyantcev, Roman V.; Bogomyakov, Artem S.","Valence tautomeric interconversion of bis-dioxolene cobalt complex with imino-pyridine functionalized by TEMPO moiety in solid solutions with isostructural nickel analogue: phase transitions and monocrystal destruction.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","9151","9160","10.1039/d4dt00453a","","","0.71073","MoKα","","0.0845","0.0464","","","0.0876","0.0971","","","","","","0.978","","","","has coordinates","293143","2024-07-05","16:59:03",""
"7715918","10.70656","0.00013","15.45339","0.00016","26.9829","0.0004","90","","100.621","0.0012","90","","4387.9","0.1","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H62 Co0.11 N3 Ni0.89 O5 -","- C43 H62 Co0.1111 N3 Ni0.8889 O5 -","- C172 H248 Co0.4444 N12 Ni3.5556 O20 -","4","1","","Bubnov, Michael P.; Zolotukhin, Alexey A.; Fukin, Georgy K.; Rumyantcev, Roman V.; Bogomyakov, Artem S.","Valence tautomeric interconversion of bis-dioxolene cobalt complex with imino-pyridine functionalized by TEMPO moiety in solid solutions with isostructural nickel analogue: phase transitions and monocrystal destruction.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","9151","9160","10.1039/d4dt00453a","","","0.71073","MoKα","","0.0742","0.0436","","","0.09","0.0994","","","","","","1.041","","","","has coordinates,has disorder","293143","2024-07-05","16:59:03",""
"7715919","9.6119","0.0002","22.4858","0.0004","23.6228","0.0004","90","","95.304","0.002","90","","5083.76","0.16","213","","213","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H76 N4 O12 Si4 -","- C36 H76 N4 O12 Si4 -","- C144 H304 N16 O48 Si16 -","4","1","","Sonoda, Kanako; Tohnai, Norimitsu; Kaneko, Yoshiro","Stereoselective synthesis of different cyclic tetrasiloxane isomers depending on the superacid catalyst employed.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8709","8715","10.1039/d4dt00062e","","x-ray","1.54184","CuKα","","0.0557","0.0478","","","0.1297","0.1353","","","","","","1.075","","","","has coordinates,has disorder","293099","2024-07-05","16:38:11",""
"7715920","17.2917","0.0002","14.8352","0.0002","9.9967","0.0001","90","","91.593","0.001","90","","2563.42","0.05","213","","213","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H38 N2 O6 Si2 -","- C18 H38 N2 O6 Si2 -","- C72 H152 N8 O24 Si8 -","4","1","","Sonoda, Kanako; Tohnai, Norimitsu; Kaneko, Yoshiro","Stereoselective synthesis of different cyclic tetrasiloxane isomers depending on the superacid catalyst employed.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8709","8715","10.1039/d4dt00062e","","x-ray","1.54184","CuKα","","0.0551","0.0485","","","0.1342","0.1391","","","","","","1.05","","","","has coordinates,has disorder","293099","2024-07-05","16:38:11",""
"7715921","19.6668","0.0002","13.8232","0.0001","13.5182","0.0001","90","","90","","90","","3675.03","0.05","123","0.1","123","0.1","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C30 H35 Co4 N5 O12 -","- C29.75 H34.09 Co4 N5 O12 -","- C119 H136.36 Co16 N20 O48 -","4","0.5","","Uhlig, Felix; Stammler, Michael B.; Meurer, Florian; Shenderovich, Ilya G.; Blahut, Jan; Wisser, Florian M.","Monitoring structure and coordination chemistry of Co<sub>4</sub>O<sub>4</sub>-based oxygen evolution catalysts by nitrogen-14/-15 and cobalt-59 NMR spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8541","8545","10.1039/d4dt01273a","","x-ray","1.54184","CuKα","","0.0353","0.0322","","","0.0898","0.0918","","","","","","1.0566","","","","has coordinates,has disorder","293097","2024-07-05","16:37:43",""
"7715922","12.1193","0.0006","14.8888","0.0007","18.455","0.0008","89.484","0.002","80.014","0.002","80.67","0.002","3235.6","0.3","100","","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H27 Cl3 F3 N3 O5 Pd -","- C29 H27 Cl3 F3 N3 O5 Pd -","- C116 H108 Cl12 F12 N12 O20 Pd4 -","4","2","","Dumitraş, Darius; Dalmau, David; García-Orduña, Pilar; Pop, Alexandra; Silvestru, Anca; Urriolabeitia, Esteban P.","Orthopalladated imidazolones and thiazolones: synthesis, photophysical properties and photochemical reactivity.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","8948","8957","10.1039/d4dt00730a","","","0.71073","MoKα","","0.0914","0.0444","","","0.093","0.1123","","","","","","1.013","","","","has coordinates,has disorder","293151","2024-07-05","17:00:51",""
"7715923","24.4713","0.0008","11.0368","0.0004","15.9675","0.0005","90","","90","","90","","4312.6","0.3","100","","100","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C38 H22 Cl6 F6 N2 O6 Pd2 S2 -","- C36 H18 Cl2 F6 N2 O6 Pd2 S2 -","- C144 H72 Cl8 F24 N8 O24 Pd8 S8 -","4","0.5","","Dumitraş, Darius; Dalmau, David; García-Orduña, Pilar; Pop, Alexandra; Silvestru, Anca; Urriolabeitia, Esteban P.","Orthopalladated imidazolones and thiazolones: synthesis, photophysical properties and photochemical reactivity.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","8948","8957","10.1039/d4dt00730a","","","0.71073","MoKα","","0.0331","0.0293","","","0.0763","0.0782","","","","","","1.09","","","","has coordinates,has disorder","293151","2024-07-05","17:00:52",""
"7715924","24.7871","0.0014","10.8791","0.0007","16.2545","0.001","90","","101.132","0.002","90","","4300.7","0.5","100","","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H30 Cl4 F6 N4 O6 Pd2 -","- C42 H30 Cl4 F5.996 N4 O6 Pd2 -","- C168 H120 Cl16 F23.984 N16 O24 Pd8 -","4","0.5","","Dumitraş, Darius; Dalmau, David; García-Orduña, Pilar; Pop, Alexandra; Silvestru, Anca; Urriolabeitia, Esteban P.","Orthopalladated imidazolones and thiazolones: synthesis, photophysical properties and photochemical reactivity.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","8948","8957","10.1039/d4dt00730a","","","0.71073","MoKα","","0.0195","0.0195","","","0.049","0.0491","","","","","","1.058","","","","has coordinates,has disorder","293151","2024-07-05","17:00:52",""
"7715925","22.7038","0.0008","11.4463","0.0005","16.6779","0.0007","90","","90","","90","","4334.2","0.3","100","","100","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C38 H20 Cl6 F8 N2 O6 Pd2 S2 -","- C38 H20 Cl6 F8 N2 O6 Pd2 S2 -","- C152 H80 Cl24 F32 N8 O24 Pd8 S8 -","4","0.5","","Dumitraş, Darius; Dalmau, David; García-Orduña, Pilar; Pop, Alexandra; Silvestru, Anca; Urriolabeitia, Esteban P.","Orthopalladated imidazolones and thiazolones: synthesis, photophysical properties and photochemical reactivity.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","8948","8957","10.1039/d4dt00730a","","","0.71073","MoKα","","0.0242","0.0235","","","0.058","0.0586","","","","","","1.038","","","","has coordinates,has disorder","293151","2024-07-05","17:00:52",""
"7715926","15.5603","0.0007","15.6327","0.0007","18.9399","0.0009","99.929","0.002","96.086","0.002","105.978","0.002","4305.1","0.3","100","","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H20 Cl3 F3 N2 O5 Pd S -","- C25.6667 H19.6667 Cl2 F3 N2 O5 Pd S -","- C154 H118 Cl12 F18 N12 O30 Pd6 S6 -","6","3","","Dumitraş, Darius; Dalmau, David; García-Orduña, Pilar; Pop, Alexandra; Silvestru, Anca; Urriolabeitia, Esteban P.","Orthopalladated imidazolones and thiazolones: synthesis, photophysical properties and photochemical reactivity.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","8948","8957","10.1039/d4dt00730a","","","0.71073","MoKα","","0.0476","0.0434","","","0.1082","0.1117","","","","","","1.047","","","","has coordinates,has disorder","293151","2024-07-05","17:00:52",""
"7715927","13.9235","0.0004","14.4448","0.0003","30.0718","0.0009","90","","90","","90","","6048.1","0.3","100","","100","","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C20 H38 I3 N4 O5 U -","- C20 H38 I3 N4 O5 U -","- C160 H304 I24 N32 O40 U8 -","8","0.5","","Kulasekara, D. Nuwangi; Bailey, Matthew D.; Ward, Cassandra L.; Allen, Matthew J.","Comparison of the structural, electrochemical, and spectroscopic properties of two cryptates of trivalent uranium.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8657","8661","10.1039/d4dt00521j","","","0.71073","MoKα","","0.0321","0.0254","","","0.0594","0.0635","","","","","","1.03","","","","has coordinates,has disorder","293088","2024-07-05","16:35:17",""
"7715928","14.2159","0.0005","14.8269","0.0005","31.2033","0.0011","90","","90","","90","","6577","0.4","100","","100","","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C22 H46 I3 N4 O7 U -","- C22 H46 I3 N4 O7 U -","- C176 H368 I24 N32 O56 U8 -","8","0.5","","Kulasekara, D. Nuwangi; Bailey, Matthew D.; Ward, Cassandra L.; Allen, Matthew J.","Comparison of the structural, electrochemical, and spectroscopic properties of two cryptates of trivalent uranium.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8657","8661","10.1039/d4dt00521j","","","0.71073","MoKα","","0.0273","0.0252","","","0.0653","0.0668","","","","","","1.031","","","","has coordinates","293088","2024-07-05","16:35:17",""
"7715929","18.8644","0.0012","10.3453","0.0006","18.2109","0.001","90","","104.769","0.002","90","","3436.6","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H50.01 I3 N4 O8 U -","- C24 H50 I3 N4 O8 U -","- C96 H200 I12 N16 O32 U4 -","4","1","","Kulasekara, D. Nuwangi; Bailey, Matthew D.; Ward, Cassandra L.; Allen, Matthew J.","Comparison of the structural, electrochemical, and spectroscopic properties of two cryptates of trivalent uranium.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8657","8661","10.1039/d4dt00521j","","","0.71073","MoKα","","0.0436","0.0367","","","0.0872","0.09","","","","","","1.202","","","","has coordinates,has disorder","293088","2024-07-05","16:35:17",""
"7715930","9.4939","0.0005","23.9667","0.0015","18.8664","0.0011","90","","97.2108","0.0013","90","","4258.9","0.4","113","","113","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H57 Au O2 P Rh3 -","- C48 H57 Au O2 P Rh3 -","- C192 H228 Au4 O8 P4 Rh12 -","4","1","","Tsurugi, Hayato; Mori, Hiroki; Mori, Haruna; Nakamoto, Masami; Tanaka, Shinji; Mashima, Kazushi","Effect of distal metal species on lewis basicity of a μ<sub>3</sub>-oxo ligand in a doubly oxo-bridged (μ<sub>3</sub>-O)[Rh(cod)]<sub>3</sub>(μ<sub>4</sub>-O)M core.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8546","8549","10.1039/d4dt00932k","","","0.71075","MoKα","","0.016","0.0145","","","0.0347","0.035","","","","","","1.067","","","","has coordinates","293096","2024-07-05","16:37:14",""
"7715931","12.805","0.0013","15.7979","0.0017","16.7992","0.0017","106.294","0.001","101.461","0.0011","107.842","0.002","2950.4","0.5","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C63 H69 Au2 B F4 O2 P2 Rh3 -","- C63 H69 Au2 B F4 O2 P2 Rh3 -","- C126 H138 Au4 B2 F8 O4 P4 Rh6 -","2","1","","Tsurugi, Hayato; Mori, Hiroki; Mori, Haruna; Nakamoto, Masami; Tanaka, Shinji; Mashima, Kazushi","Effect of distal metal species on lewis basicity of a μ<sub>3</sub>-oxo ligand in a doubly oxo-bridged (μ<sub>3</sub>-O)[Rh(cod)]<sub>3</sub>(μ<sub>4</sub>-O)M core.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8546","8549","10.1039/d4dt00932k","","","0.71075","MoKα","","0.0352","0.0298","","","0.0761","0.0782","","","","","","1.045","","","","has coordinates","293096","2024-07-05","16:37:14",""
"7715932","11.5186","0.0009","19.8427","0.0016","21.2591","0.0017","90","","100.794","0.002","90","","4773","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C51 H57 Li3 N6 Si3 -","- C51 H57 Li3 N6 Si3 -","- C204 H228 Li12 N24 Si12 -","4","2","","Grasruck, Alexander; Schall, Kristina; Heinemann, Frank W.; Langer, Jens; Herrera, Alberto; Frieß, Sybille; Schmid, Günter; Dorta, Romano","Dibenzoazepine hydrazine is a building block for <i>N</i>-alkene hybrid ligands: exploratory syntheses of complexes of Cu, Fe, and Li.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8642","8656","10.1039/d4dt00749b","","","0.71073","MoKα","","0.0694","0.0477","","","0.0931","0.1007","","","","","","1.03","","","","has coordinates","293095","2024-07-05","16:37:05",""
"7715933","10.4448","0.0003","16.6554","0.0005","21.5436","0.0006","92.468","0.002","92.26","0.002","90.33","0.002","3741.28","0.19","99.9","0.4","99.9","0.4","","","","","","","","4","P -1","-P 1","2","","","","- C26 H16 N2 O -","- C26 H16 N2 O -","- C208 H128 N16 O8 -","8","4","","Grasruck, Alexander; Schall, Kristina; Heinemann, Frank W.; Langer, Jens; Herrera, Alberto; Frieß, Sybille; Schmid, Günter; Dorta, Romano","Dibenzoazepine hydrazine is a building block for <i>N</i>-alkene hybrid ligands: exploratory syntheses of complexes of Cu, Fe, and Li.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8642","8656","10.1039/d4dt00749b","","x-ray","0.71073","MoKα","","0.0751","0.0537","","","0.1467","0.152","","","","","","1.043","","","","has coordinates","293095","2024-07-05","16:37:05",""
"7715934","12.422","0.0006","13.8004","0.0006","18.5331","0.0009","90","","90","","90","","3177.1","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H32 Cu F3 N4 O3 S -","- C35 H32 Cu F3 N4 O3 S -","- C140 H128 Cu4 F12 N16 O12 S4 -","4","1","","Grasruck, Alexander; Schall, Kristina; Heinemann, Frank W.; Langer, Jens; Herrera, Alberto; Frieß, Sybille; Schmid, Günter; Dorta, Romano","Dibenzoazepine hydrazine is a building block for <i>N</i>-alkene hybrid ligands: exploratory syntheses of complexes of Cu, Fe, and Li.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8642","8656","10.1039/d4dt00749b","","","0.71073","MoKα","","0.0341","0.0266","","","0.0592","0.0642","","","","","","1.076","","","","has coordinates","293095","2024-07-05","16:37:05",""
"7715935","10.1577","0.0004","11.148","0.0004","11.4751","0.0004","100.479","0.002","113.912","0.002","98.71","0.002","1130.84","0.08","100.15","","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H22 N4 -","- C30 H22 N4 -","- C60 H44 N8 -","2","1","","Grasruck, Alexander; Schall, Kristina; Heinemann, Frank W.; Langer, Jens; Herrera, Alberto; Frieß, Sybille; Schmid, Günter; Dorta, Romano","Dibenzoazepine hydrazine is a building block for <i>N</i>-alkene hybrid ligands: exploratory syntheses of complexes of Cu, Fe, and Li.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8642","8656","10.1039/d4dt00749b","","","0.71073","MoKα","","0.0508","0.0387","","","0.0907","0.0974","","","","","","1.033","","","","has coordinates","293095","2024-07-05","16:37:05",""
"7715936","10.6663","0.0001","39.1923","0.0005","15.0354","0.0002","90","","90","","90","","6285.35","0.13","100","0.1","100","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C38 H34 Cu N4 O2 -","- C38 H34 Cu N4 O2 -","- C304 H272 Cu8 N32 O16 -","8","0.5","","Grasruck, Alexander; Schall, Kristina; Heinemann, Frank W.; Langer, Jens; Herrera, Alberto; Frieß, Sybille; Schmid, Günter; Dorta, Romano","Dibenzoazepine hydrazine is a building block for <i>N</i>-alkene hybrid ligands: exploratory syntheses of complexes of Cu, Fe, and Li.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8642","8656","10.1039/d4dt00749b","","x-ray","1.54184","CuKα","","0.0224","0.0224","","","0.0599","0.0599","","","","","","1.079","","","","has coordinates","293095","2024-07-05","16:37:05",""
"7715937","16.9485","0.0003","17.6987","0.0003","17.5363","0.0003","90","","96.3972","0.0016","90","","5227.55","0.16","100","1","100","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C56 H36 Cl4 Cu2 F6 N4 O8 S2 -","- C56 H36 Cl4 Cu2 F6 N4 O8 S2 -","- C224 H144 Cl16 Cu8 F24 N16 O32 S8 -","4","1","","Grasruck, Alexander; Schall, Kristina; Heinemann, Frank W.; Langer, Jens; Herrera, Alberto; Frieß, Sybille; Schmid, Günter; Dorta, Romano","Dibenzoazepine hydrazine is a building block for <i>N</i>-alkene hybrid ligands: exploratory syntheses of complexes of Cu, Fe, and Li.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8642","8656","10.1039/d4dt00749b","","x-ray","0.71073","MoKα","","0.0449","0.0327","","","0.0715","0.0771","","","","","","1.031","","","","has coordinates","293095","2024-07-05","16:37:05",""
"7715938","8.7777","0.0009","10.3537","0.001","16.8562","0.0017","82.729","0.002","80.357","0.002","87.825","0.002","1497.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H30 N3 P -","- C40 H30 N3 P -","- C80 H60 N6 P2 -","2","1","","Grasruck, Alexander; Schall, Kristina; Heinemann, Frank W.; Langer, Jens; Herrera, Alberto; Frieß, Sybille; Schmid, Günter; Dorta, Romano","Dibenzoazepine hydrazine is a building block for <i>N</i>-alkene hybrid ligands: exploratory syntheses of complexes of Cu, Fe, and Li.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8642","8656","10.1039/d4dt00749b","","","0.71073","MoKα","","0.0633","0.0439","","","0.0967","0.1069","","","","","","1.076","","","","has coordinates","293095","2024-07-05","16:37:05",""
"7715939","8.8126","0.0017","16.863","0.003","17.707","0.004","90","","93.616","0.007","90","","2626.1","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H39 Li N2 O3 -","- C29 H39 Li N2 O3 -","- C116 H156 Li4 N8 O12 -","4","1","","Grasruck, Alexander; Schall, Kristina; Heinemann, Frank W.; Langer, Jens; Herrera, Alberto; Frieß, Sybille; Schmid, Günter; Dorta, Romano","Dibenzoazepine hydrazine is a building block for <i>N</i>-alkene hybrid ligands: exploratory syntheses of complexes of Cu, Fe, and Li.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8642","8656","10.1039/d4dt00749b","","","0.71073","MoKα","","0.0804","0.0615","","","0.1472","0.1595","","","","","","1.048","","","","has coordinates,has disorder","293095","2024-07-05","16:37:05",""
"7715940","12.8273","0.0002","12.01604","0.00012","20.6789","0.0003","90","","107.329","0.0015","90","","3042.64","0.08","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 Cl2 Fe N4 -","- C35.997 H27.9978 Cl1.9998 Fe0.9999 N3.9996 -","- C143.988 H111.991 Cl7.9992 Fe3.9996 N15.9984 -","4","1","","Grasruck, Alexander; Schall, Kristina; Heinemann, Frank W.; Langer, Jens; Herrera, Alberto; Frieß, Sybille; Schmid, Günter; Dorta, Romano","Dibenzoazepine hydrazine is a building block for <i>N</i>-alkene hybrid ligands: exploratory syntheses of complexes of Cu, Fe, and Li.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8642","8656","10.1039/d4dt00749b","","x-ray","1.54184","CuKα","","0.0415","0.0396","","","0.103","0.1047","","","","","","1.057","","","","has coordinates,has disorder","293095","2024-07-05","16:37:05",""
"7715941","18.7879","0.0007","8.8858","0.0003","13.675","0.0005","90","","90","","90","","2282.98","0.14","120","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H16 N6 Ni O2 S2 -","- C26 H16 N6 Ni O2 S2 -","- C104 H64 N24 Ni4 O8 S8 -","4","0.5","","Plyuta, Nataliya; Barra, Anne-Laure; Novitchi, Ghenadie; Avarvari, Narcis","Six-coordinated nickel(II) complexes with benzothiadiazole Schiff-base ligands: synthesis, crystal structure, magnetic and HFEPR study.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8835","8842","10.1039/d4dt01143k","","","1.54184","CuKα","","0.0356","0.0328","","","0.0877","0.0914","","","","","","1.069","","","","has coordinates","293083","2024-07-05","16:33:49",""
"7715942","11.2801","0.0007","12.5636","0.0009","12.8251","0.0009","90.999","0.006","110.952","0.006","115.653","0.007","1497.7","0.2","200","0.1","200","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C29 H22 Cl2 N6 Ni O4 S2 -","- C29 H22 Cl2 N6 Ni O4 S2 -","- C58 H44 Cl4 N12 Ni2 O8 S4 -","2","1","","Plyuta, Nataliya; Barra, Anne-Laure; Novitchi, Ghenadie; Avarvari, Narcis","Six-coordinated nickel(II) complexes with benzothiadiazole Schiff-base ligands: synthesis, crystal structure, magnetic and HFEPR study.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8835","8842","10.1039/d4dt01143k","","","1.54184","CuKα","","0.1133","0.0788","","","0.2014","0.2528","","","","","","1.047","","","","has coordinates,has disorder","293083","2024-07-05","16:33:49",""
"7715943","17.8926","0.0003","17.8926","0.0003","24.3239","0.0005","90","","90","","90","","7787.2","0.2","180","2","180.15","","","","","","","","","7","P 42","P 4c","77","","","","- C62 H48 F12 N8 Ni2 O12 S4 -","- C62 H48 F12 N8 Ni2 O12 S4 -","- C248 H192 F48 N32 Ni8 O48 S16 -","4","1","","Schreck, Constantin; Schönfeld, Sophie; Liebing, Phil; Hörner, Gerald; Weber, Birgit","Binucleating Jäger-type {(N<sub>2</sub>O<sub>2</sub>)<sub>2</sub>}<sup>4-</sup> ligands: magnetic and electronic interactions of Fe(II), Ni(II) and Cu(II) across an in-plane TTF-bridge.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","9092","9105","10.1039/d4dt00479e","","","0.71073","MoKα","","0.1274","0.0572","","","0.118","0.1447","","","","","","0.938","","","","has coordinates,has disorder","293156","2024-07-05","17:01:38",""
"7715944","32.213","0.006","16.294","0.003","20.582","0.004","90","","129.69","0.03","90","","8313","5","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H46.94 Cl2 Fe N13 O5.3 -","- C36 H45 Cl2 Fe N13 O4.3333 -","- C288 H360 Cl16 Fe8 N104 O34.6664 -","8","1","","Zhang, Kenneth; Wallis, Matthew J.; Craze, Alexander R.; Hayami, Shinya; Min, Hyunsung; Fanna, Daniel J.; Bhadbhade, Mohan M.; Tian, Ruoming; Marjo, Christopher E.; Lindoy, Leonard F.; Li, Feng","Spin crossover of a Fe(II) mononuclear complex induced by intermolecular factors involving chloride and solvent ordering.","Dalton transactions (Cambridge, England : 2003)","2024","53","34","14144","14152","10.1039/d4dt00706a","","","0.71073","MoKα","","0.0531","0.0524","","","0.1483","0.149","","","","","","1.061","","","","has coordinates,has disorder","294585","2024-09-06","00:58:26",""
"7715945","32.341","0.007","16.381","0.003","20.675","0.004","90","","129.7","0.03","90","","8427","5","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H43.6 Cl2 Fe N13 O5.3 -","- C36 H41 Cl2 Fe N13 O4 -","- C288 H328 Cl16 Fe8 N104 O32 -","8","1","","Zhang, Kenneth; Wallis, Matthew J.; Craze, Alexander R.; Hayami, Shinya; Min, Hyunsung; Fanna, Daniel J.; Bhadbhade, Mohan M.; Tian, Ruoming; Marjo, Christopher E.; Lindoy, Leonard F.; Li, Feng","Spin crossover of a Fe(II) mononuclear complex induced by intermolecular factors involving chloride and solvent ordering.","Dalton transactions (Cambridge, England : 2003)","2024","53","34","14144","14152","10.1039/d4dt00706a","","","0.71073","MoKα","","0.0478","0.0468","","","0.1352","0.1363","","","","","","1.036","","","","has coordinates,has disorder","294585","2024-09-06","00:58:27",""
"7715946","32.168","0.006","16.288","0.003","20.562","0.004","90","","129.7","0.03","90","","8289","5","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H42.6 Cl2 Fe N13 O5.3 -","- C36 H41 Cl2 Fe N13 O4.5 -","- C288 H328 Cl16 Fe8 N104 O36 -","8","1","","Zhang, Kenneth; Wallis, Matthew J.; Craze, Alexander R.; Hayami, Shinya; Min, Hyunsung; Fanna, Daniel J.; Bhadbhade, Mohan M.; Tian, Ruoming; Marjo, Christopher E.; Lindoy, Leonard F.; Li, Feng","Spin crossover of a Fe(II) mononuclear complex induced by intermolecular factors involving chloride and solvent ordering.","Dalton transactions (Cambridge, England : 2003)","2024","53","34","14144","14152","10.1039/d4dt00706a","","","0.71073","MoKα","","0.0658","0.0599","","","0.1712","0.1775","","","","","","1.035","","","","has coordinates,has disorder","294585","2024-09-06","00:58:33",""
"7715947","32.281","0.007","16.537","0.003","20.748","0.004","90","","129.08","0.03","90","","8598","5","300","","300","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H45.1 Cl2 Fe N13 O5.3 -","- C33.75 H33 Cl2 Fe N13 O1.5 -","- C270 H264 Cl16 Fe8 N104 O12 -","8","1","","Zhang, Kenneth; Wallis, Matthew J.; Craze, Alexander R.; Hayami, Shinya; Min, Hyunsung; Fanna, Daniel J.; Bhadbhade, Mohan M.; Tian, Ruoming; Marjo, Christopher E.; Lindoy, Leonard F.; Li, Feng","Spin crossover of a Fe(II) mononuclear complex induced by intermolecular factors involving chloride and solvent ordering.","Dalton transactions (Cambridge, England : 2003)","2024","53","34","14144","14152","10.1039/d4dt00706a","","","0.71073","MoKα","","0.0822","0.0712","","","0.219","0.2375","","","","","","1.081","","","","has coordinates","294585","2024-09-06","00:58:43",""
"7715948","32.45","0.007","16.53","0.003","20.8","0.004","90","","129.57","0.03","90","","8600","5","250","","250","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H40.4 Cl2 Fe N13 O5.3 -","- C35.3 H35 Cl2 Fe N13 O3.3 -","- C282.4 H280 Cl16 Fe8 N104 O26.4 -","8","1","","Zhang, Kenneth; Wallis, Matthew J.; Craze, Alexander R.; Hayami, Shinya; Min, Hyunsung; Fanna, Daniel J.; Bhadbhade, Mohan M.; Tian, Ruoming; Marjo, Christopher E.; Lindoy, Leonard F.; Li, Feng","Spin crossover of a Fe(II) mononuclear complex induced by intermolecular factors involving chloride and solvent ordering.","Dalton transactions (Cambridge, England : 2003)","2024","53","34","14144","14152","10.1039/d4dt00706a","","","0.71073","MoKα","","0.0575","0.0552","","","0.1772","0.1809","","","","","","1.06","","","","has coordinates","294585","2024-09-06","00:58:51",""
"7715949","11.651","0.002","15.699","0.003","21.229","0.004","90","","92.15","0.03","90","","3880.2","1.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H37 Cl2 Fe N13 O9 -","- C34 H37 Cl2 Fe N13 O9 -","- C136 H148 Cl8 Fe4 N52 O36 -","4","1","","Zhang, Kenneth; Wallis, Matthew J.; Craze, Alexander R.; Hayami, Shinya; Min, Hyunsung; Fanna, Daniel J.; Bhadbhade, Mohan M.; Tian, Ruoming; Marjo, Christopher E.; Lindoy, Leonard F.; Li, Feng","Spin crossover of a Fe(II) mononuclear complex induced by intermolecular factors involving chloride and solvent ordering.","Dalton transactions (Cambridge, England : 2003)","2024","53","34","14144","14152","10.1039/d4dt00706a","","","0.71073","MoKα","","0.0325","0.0325","","","0.09","0.09","","","","","","1.169","","","","has coordinates","294585","2024-09-06","00:58:51",""
"7715950","18.4268","0.0006","18.4268","0.0006","22.5112","0.0011","90","","90","","120","","6619.6","0.4","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C72 H67 Cu12 N39 O61 -","- C72 H67.0002 Cu12 N39 O61 -","- C144 H134 Cu24 N78 O122 -","2","0.166667","","Pan, Ting; Wu, Yanxin; Duan, Yuefeng; Duan, Jingui","Solvents regulate the packing porosity of a bilayer metal-organic cage.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","9106","9111","10.1039/d4dt01040j","","","0.71073","MoKα","","0.1077","0.0715","","","0.2015","0.2294","","","","","","1.026","","","","has coordinates","293154","2024-07-05","17:01:20",""
"7715951","19.3815","0.001","19.3815","0.001","22.13","0.002","90","","90","","120","","7199.2","0.8","296","2","296","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C48 H49.5 Cu6 N24 O17.5 -","- C48 H49.5 Cu6 N24 O17.5 -","- C192 H198 Cu24 N96 O70 -","4","0.333333","","Pan, Ting; Wu, Yanxin; Duan, Yuefeng; Duan, Jingui","Solvents regulate the packing porosity of a bilayer metal-organic cage.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","9106","9111","10.1039/d4dt01040j","","","0.71073","MoKα","","0.0709","0.0535","","","0.1647","0.1782","","","","","","1.012","","","","has coordinates","293154","2024-07-05","17:01:20",""
"7715952","24.0593","0.0012","24.0593","0.0012","21.519","0.002","90","","90","","120","","10787.4","1.3","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C102 H120 Cu12 N45 O41 -","- C102 H120 Cu12 N45 O41 -","- C204 H240 Cu24 N90 O82 -","2","0.166667","","Pan, Ting; Wu, Yanxin; Duan, Yuefeng; Duan, Jingui","Solvents regulate the packing porosity of a bilayer metal-organic cage.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","9106","9111","10.1039/d4dt01040j","","","0.71073","MoKα","","0.1027","0.0765","","","0.2319","0.2524","","","","","","1.028","","","","has coordinates,has disorder","293154","2024-07-05","17:01:20",""
"7715953","20.8363","0.0009","11.7036","0.0004","14.1501","0.0004","90","","90","","90","","3450.6","0.2","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","3-butyl-2,4,5-trifluoro-N,N-dimethylbenzenaminiumtetrakis(perfluorophenyl)borate","","- C35 H16 B F23 N2 -","- C35 H16 B F23 N2 -","- C140 H64 B4 F92 N8 -","4","1","","Slesarchuk, Nikita; Ma, Enlu; Miranda-Pizarro, Juan; Heikkinen, Sami; Schollmeyer, Dieter; Nieger, Martin; Vasko, Petra; Repo, Timo","On the mechanism of sp<sup>2</sup> C-H borylation using <i>ortho-N</i>-substituted pyridinium cations.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9590","9595","10.1039/d4dt00853g","","","0.71073","MoKα","","0.0568","0.0392","","","0.0801","0.0887","","","","","","1.064","","","","has coordinates","293011","2024-07-05","16:02:00",""
"7715954","18.914","0.0002","18.914","0.0002","27.7587","0.0004","90","","90","","90","","9930.4","0.2","100.02","0.1","100.02","0.1","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C24 H16 B4 F8 N6 O2 -","- C24 H16 B4 F8 N6 O2 -","- C384 H256 B64 F128 N96 O32 -","16","0.5","","Cui, Luxia; Furuta, Ryoji; Harada, Takunori; Konta, Takeru; Hoshino, Yu; Ono, Toshikazu","Simultaneous discovery of chiral and achiral dyes: elucidating the optical functions of helical and flag-hinged boron tetradentate complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","9183","9191","10.1039/d4dt01172d","","x-ray","1.54184","CuKα","","0.0443","0.0418","","","0.1248","0.127","","","","","","1.081","","","","has coordinates","293157","2024-07-05","17:01:51",""
"7715955","8.4265","0.0004","10.5693","0.0004","13.8392","0.0006","89.215","0.003","85.014","0.004","79.567","0.003","1207.58","0.09","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H16 B4 F6 N6 O3 -","- C24 H16 B4 F6 N6 O3 -","- C48 H32 B8 F12 N12 O6 -","2","1","","Cui, Luxia; Furuta, Ryoji; Harada, Takunori; Konta, Takeru; Hoshino, Yu; Ono, Toshikazu","Simultaneous discovery of chiral and achiral dyes: elucidating the optical functions of helical and flag-hinged boron tetradentate complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","9183","9191","10.1039/d4dt01172d","","x-ray","0.71073","MoKα","","0.0627","0.0443","","","0.1104","0.1183","","","","","","1.039","","","","has coordinates","293157","2024-07-05","17:01:51",""
"7715956","7.3686","0.0001","18.9186","0.0004","21.9266","0.0004","90","","91.991","0.002","90","","3054.8","0.09","100.03","0.11","100.03","0.11","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 B4 Br2 Cl2 F8 N6 O2 -","- C25 H16 B4 Br2 Cl2 F8 N6 O2 -","- C100 H64 B16 Br8 Cl8 F32 N24 O8 -","4","1","","Cui, Luxia; Furuta, Ryoji; Harada, Takunori; Konta, Takeru; Hoshino, Yu; Ono, Toshikazu","Simultaneous discovery of chiral and achiral dyes: elucidating the optical functions of helical and flag-hinged boron tetradentate complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","9183","9191","10.1039/d4dt01172d","","x-ray","1.54184","CuKα","","0.0336","0.0301","","","0.0805","0.083","","","","","","1.043","","","","has coordinates","293157","2024-07-05","17:01:51",""
"7715957","9.2962","0.0007","9.8661","0.0007","17.0113","0.0012","84.337","0.006","83.855","0.006","80.627","0.006","1525.3","0.19","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 B4 F8 N8 O2 -","- C28 H26 B4 F8 N8 O2 -","- C56 H52 B8 F16 N16 O4 -","2","1","","Cui, Luxia; Furuta, Ryoji; Harada, Takunori; Konta, Takeru; Hoshino, Yu; Ono, Toshikazu","Simultaneous discovery of chiral and achiral dyes: elucidating the optical functions of helical and flag-hinged boron tetradentate complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","9183","9191","10.1039/d4dt01172d","","x-ray","0.71073","MoKα","","0.1068","0.0546","","","0.1214","0.1479","","","","","","1.019","","","","has coordinates","293157","2024-07-05","17:01:51",""
"7715958","8.1074","0.0011","10.5772","0.0017","15.807","0.003","91.309","0.014","91.058","0.014","99.216","0.013","1337.3","0.4","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H14 B4 Br2 F6 N6 O3 -","- C24 H14 B4 Br2 F6 N6 O3 -","- C48 H28 B8 Br4 F12 N12 O6 -","2","1","","Cui, Luxia; Furuta, Ryoji; Harada, Takunori; Konta, Takeru; Hoshino, Yu; Ono, Toshikazu","Simultaneous discovery of chiral and achiral dyes: elucidating the optical functions of helical and flag-hinged boron tetradentate complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","9183","9191","10.1039/d4dt01172d","","x-ray","0.71073","MoKα","","0.1673","0.0756","","","0.1404","0.1877","","","","","","0.987","","","","has coordinates","293157","2024-07-05","17:01:51",""
"7715959","10.562","0.004","14.568","0.006","17.808","0.007","90","","98.219","0.008","90","","2711.9","1.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H78 Co2 N10 O4 S2 -","- C50 H78 Co2 N10 O4 S2 -","- C100 H156 Co4 N20 O8 S4 -","2","0.5","","Das, Kuheli; Beyene, Belete B.; Massera, Chiara; Garribba, Eugenio; El Fallah, M. S.; Frontera, Antonio; Hung, Chen-Hsiung; Datta, Amitabha","Magnetic study and DFT analysis of a doubly carboxylato-bridged Co(II) derivative anchored with a 'scorpionate' precursor as a potential electrocatalyst for heterogeneous H<sub>2</sub> evolution.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9358","9368","10.1039/d4dt00807c","","","0.71073","MoKα","","0.0778","0.0431","","","0.0889","0.1014","","","","","","1.004","","","","has coordinates","293014","2024-07-05","16:02:30",""
"7715960","15.5673","0.0016","21.225","0.002","6.6731","0.0007","90","","95.563","0.005","90","","2194.5","0.4","150","2","150.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H25 N O4 Pt -","- C26 H25 N O4 Pt -","- C104 H100 N4 O16 Pt4 -","4","1","","Li, Zhuoheng; Ekanayake, Akalanka B.; Bartman, Anna E.; Doorn, Jonathan A.; Tivanski, Alexei V.; Pigge, F. Christopher","Detection and disaggregation of amyloid fibrils by luminescent amphiphilic platinum(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","9001","9010","10.1039/d4dt00882k","","","0.71073","MoKα","","0.0195","0.0175","","","0.0364","0.0368","","","","","","1.016","","","","has coordinates","293148","2024-07-05","17:00:15",""
"7715961","14.143","0.0006","12.3571","0.0007","14.0848","0.0008","90","","107.375","0.002","90","","2349.2","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N2 O5 Pt -","- C26 H26 N2 O5 Pt -","- C104 H104 N8 O20 Pt4 -","4","1","","Li, Zhuoheng; Ekanayake, Akalanka B.; Bartman, Anna E.; Doorn, Jonathan A.; Tivanski, Alexei V.; Pigge, F. Christopher","Detection and disaggregation of amyloid fibrils by luminescent amphiphilic platinum(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","9001","9010","10.1039/d4dt00882k","","","0.71073","MoKα","","0.0379","0.0278","","","0.053","0.0564","","","","","","1.041","","","","has coordinates","293148","2024-07-05","17:00:17",""
"7715962","11.5142","0.0006","12.2748","0.0006","17.2202","0.001","90","","96.978","0.002","90","","2415.8","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N2 O6 Pt -","- C26 H28 N2 O6 Pt -","- C104 H112 N8 O24 Pt4 -","4","1","","Li, Zhuoheng; Ekanayake, Akalanka B.; Bartman, Anna E.; Doorn, Jonathan A.; Tivanski, Alexei V.; Pigge, F. Christopher","Detection and disaggregation of amyloid fibrils by luminescent amphiphilic platinum(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","9001","9010","10.1039/d4dt00882k","","","0.71073","MoKα","","0.0505","0.034","","","0.0668","0.0726","","","","","","1.032","","","","has coordinates","293148","2024-07-05","17:00:18",""
"7715963","19.981","0.0005","8.7003","0.0002","22.9085","0.0005","90","","99.22","0.002","90","","3930.98","0.16","200","2","199.99","0.1","","","","","","","","6","P 1 2 1","P 2y","3","sodium L-tartrate-bipyridine-chromium(III)","sodium L-tartrate-bipyridine-chromium(III)","","- C28 H39 Cr2 N4 Na O21 -","- C28 H21 Cr2 N4 Na O21 -","- C112 H84 Cr8 N16 Na4 O84 -","4","2","","Dunatov, Marko; Zhao, Zhibo; Žilić, Dijana; Androš Dubraja, Lidija","A homochiral tartrate-bridged dinuclear chromium(III) complex anion with a resonance-assisted hydrogen bond for proton conduction.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9315","9322","10.1039/d4dt00783b","","x-ray","1.54184","CuKα","","0.084","0.0753","","","0.2164","0.2244","","","","","","1.089","","","","has coordinates","293029","2024-07-05","16:07:42",""
"7715964","21.0907","0.0006","8.6541","0.0002","22.8011","0.0005","90","","110.661","0.003","90","","3894.02","0.18","103","2","100","2","","","","","","","","6","P 1 2 1","P 2y","3","sodium L-tartrate-bipyridine-chromium(III)","sodium L-tartrate-bipyridine-chromium(III)","","- C28 H39 Cr2 N4 Na O21 -","- C28 H21 Cr2 N4 O12 -","- C112 H84 Cr8 N16 O48 -","4","2","","Dunatov, Marko; Zhao, Zhibo; Žilić, Dijana; Androš Dubraja, Lidija","A homochiral tartrate-bridged dinuclear chromium(III) complex anion with a resonance-assisted hydrogen bond for proton conduction.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9315","9322","10.1039/d4dt00783b","","x-ray","1.54184","CuKα","","0.0671","0.0572","","","0.1441","0.1501","","","","","","1.076","","","","has coordinates","293029","2024-07-05","16:07:45",""
"7715965","21.0907","0.0006","8.6541","0.0002","22.8011","0.0005","90","","110.661","0.003","90","","3894.02","0.18","100","2","100","2","","","","","","","","6","P 1 2 1","P 2y","3","sodium L-tartrate-bipyridine-chromium(III)","sodium L-tartrate-bipyridine-chromium(III)","","- C28 H39 Cr2 N4 Na O21 -","- C28 H21 Cr2 N4 Na O21.5 -","- C112 H84 Cr8 N16 Na4 O86 -","4","2","","Dunatov, Marko; Zhao, Zhibo; Žilić, Dijana; Androš Dubraja, Lidija","A homochiral tartrate-bridged dinuclear chromium(III) complex anion with a resonance-assisted hydrogen bond for proton conduction.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9315","9322","10.1039/d4dt00783b","","x-ray","1.54184","CuKα","","0.108","0.0967","","","0.2704","0.2857","","","","","","1.173","","","","has coordinates","293029","2024-07-05","16:07:53",""
"7715966","28.5608","0.0014","9.7959","0.0004","18.4297","0.0008","90","","99.998","0.004","90","","5077.9","0.4","120","2","120","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C25 H33 Cl Cu P2 S -","- C25 H33 Cl Cu P2 S -","- C200 H264 Cl8 Cu8 P16 S8 -","8","1","","Ziółkowska, Aleksandra; Prześniak-Welenc, Marta; Kruczyński, Tomasz; Gamer, Michael; Ponikiewski, Łukasz","From phosphanylphosphaalkenes to coordination copper and silver polymers containing P-P bonds.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9350","9357","10.1039/d4dt00987h","","x-ray","0.71073","MoKα","","0.1234","0.0617","","","0.1444","0.1695","","","","","","1.025","","","","has coordinates","293019","2024-07-05","16:03:55",""
"7715967","17.2149","0.0013","9.9874","0.0006","29.208","0.002","90","","105.951","0.006","90","","4828.4","0.6","120","2","120","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C23 H33 Cl Cu P2 S -","- C23 H33 Cl Cu P2 S -","- C184 H264 Cl8 Cu8 P16 S8 -","8","1","","Ziółkowska, Aleksandra; Prześniak-Welenc, Marta; Kruczyński, Tomasz; Gamer, Michael; Ponikiewski, Łukasz","From phosphanylphosphaalkenes to coordination copper and silver polymers containing P-P bonds.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9350","9357","10.1039/d4dt00987h","","x-ray","0.71073","MoKα","","0.1818","0.0767","","","0.1792","0.2257","","","","","","1.039","","","","has coordinates,has disorder","293019","2024-07-05","16:03:55",""
"7715968","8.6692","0.0004","9.7343","0.0004","16.9516","0.0008","90.826","0.004","103.141","0.003","115.892","0.003","1242.63","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H33 Ag Cl P2 S -","- C23 H33 Ag Cl P2 S -","- C46 H66 Ag2 Cl2 P4 S2 -","2","1","","Ziółkowska, Aleksandra; Prześniak-Welenc, Marta; Kruczyński, Tomasz; Gamer, Michael; Ponikiewski, Łukasz","From phosphanylphosphaalkenes to coordination copper and silver polymers containing P-P bonds.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9350","9357","10.1039/d4dt00987h","","x-ray","1.54186","CuKα","","0.0668","0.0632","","","0.1693","0.173","","","","","","1.089","","","","has coordinates","293019","2024-07-05","16:03:55",""
"7715969","29.1911","0.0018","9.7656","0.0004","18.4336","0.0012","90","","98.632","0.005","90","","5195.3","0.5","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C25 H33 Ag Cl P2 S -","- C25 H33 Ag Cl P2 S -","- C200 H264 Ag8 Cl8 P16 S8 -","8","1","","Ziółkowska, Aleksandra; Prześniak-Welenc, Marta; Kruczyński, Tomasz; Gamer, Michael; Ponikiewski, Łukasz","From phosphanylphosphaalkenes to coordination copper and silver polymers containing P-P bonds.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9350","9357","10.1039/d4dt00987h","","x-ray","0.71073","MoKα","","0.1439","0.0644","","","0.1567","0.193","","","","","","1.032","","","","has coordinates","293019","2024-07-05","16:03:55",""
"7715970","8.4421","0.0004","9.329","0.0004","16.0163","0.0007","80.56","0.003","88.671","0.004","66.536","0.003","1140.18","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H66 P4 S2 -","- C46 H66 P4 S2 -","- C46 H66 P4 S2 -","1","0.5","","Ziółkowska, Aleksandra; Prześniak-Welenc, Marta; Kruczyński, Tomasz; Gamer, Michael; Ponikiewski, Łukasz","From phosphanylphosphaalkenes to coordination copper and silver polymers containing P-P bonds.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9350","9357","10.1039/d4dt00987h","","x-ray","1.54186","CuKα","","0.0348","0.031","","","0.0792","0.0825","","","","","","1.047","","","","has coordinates","293019","2024-07-05","16:03:55",""
"7715971","29.324","0.003","9.7516","0.0006","18.3994","0.0014","90","","98.631","0.007","90","","5201.8","0.7","120","2","120","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C25 H33 Ag Cl P2 S -","- C25 H33 Ag Cl P2 S -","- C200 H264 Ag8 Cl8 P16 S8 -","8","1","","Ziółkowska, Aleksandra; Prześniak-Welenc, Marta; Kruczyński, Tomasz; Gamer, Michael; Ponikiewski, Łukasz","From phosphanylphosphaalkenes to coordination copper and silver polymers containing P-P bonds.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9350","9357","10.1039/d4dt00987h","","x-ray","0.71073","MoKα","","0.2291","0.0743","","","0.1436","0.1964","","","","","","1.006","","","","has coordinates","293019","2024-07-05","16:03:55",""
"7715972","9.6607","0.0004","17.1058","0.0007","17.4524","0.0007","105.193","0.003","94.859","0.003","101.727","0.003","2696","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H74 P4 S2 -","- C57 H74 P4 S2 -","- C114 H148 P8 S4 -","2","1","","Ziółkowska, Aleksandra; Prześniak-Welenc, Marta; Kruczyński, Tomasz; Gamer, Michael; Ponikiewski, Łukasz","From phosphanylphosphaalkenes to coordination copper and silver polymers containing P-P bonds.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9350","9357","10.1039/d4dt00987h","","x-ray","0.71073","MoKα","","0.1126","0.0702","","","0.151","0.1742","","","","","","1.065","","","","has coordinates,has disorder","293019","2024-07-05","16:03:55",""
"7715973","15.0752","0.0011","11.9578","0.001","15.9121","0.0011","90","","93.715","0.007","90","","2862.4","0.4","238","2","238","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 N2 Si2 -","- C34 H32 N2 Si2 -","- C136 H128 N8 Si8 -","4","1","","Zender, Elena; Valverde, Danillo; Neubaur, Robert; Karger, Sebastian; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Olivier, Yoann; Wagner, Matthias","Borylation and rearrangement reactions of azasilaanthracenes to afford B,N-doped nanographenes.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9294","9300","10.1039/d4dt01166j","","","0.71073","MoKα","","0.0924","0.0563","","","0.1291","0.1467","","","","","","1.026","","","","has coordinates","293020","2024-07-05","16:04:16",""
"7715974","12.6858","0.0008","12.6858","0.0008","14.316","0.0019","90","","90","","120","","1995.2","0.3","173","2","173","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C48 H45 N3 Si3 -","- C48 H45 N3 Si3 -","- C96 H90 N6 Si6 -","2","0.166667","","Zender, Elena; Valverde, Danillo; Neubaur, Robert; Karger, Sebastian; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Olivier, Yoann; Wagner, Matthias","Borylation and rearrangement reactions of azasilaanthracenes to afford B,N-doped nanographenes.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9294","9300","10.1039/d4dt01166j","","","0.71073","MoKα","","0.0955","0.0633","","","0.1465","0.1657","","","","","","0.998","","","","has coordinates,has disorder","293020","2024-07-05","16:04:16",""
"7715975","10.4916","0.0015","11.482","0.0012","12.0304","0.0012","66.894","0.009","72.833","0.01","80.133","0.01","1271","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H20 B2 Br2 N2 -","- C30 H20 B2 Br2 N2 -","- C60 H40 B4 Br4 N4 -","2","1","","Zender, Elena; Valverde, Danillo; Neubaur, Robert; Karger, Sebastian; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Olivier, Yoann; Wagner, Matthias","Borylation and rearrangement reactions of azasilaanthracenes to afford B,N-doped nanographenes.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9294","9300","10.1039/d4dt01166j","","","0.71073","MoKα","","0.0755","0.0478","","","0.1045","0.1174","","","","","","1.025","","","","has coordinates","293020","2024-07-05","16:04:16",""
"7715976","23.3411","0.0013","16.5921","0.0005","18.8439","0.0009","90","","113.996","0.005","90","","6667.1","0.6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C77 H72 B3 N7 -","- C77 H72 B3 N7 -","- C308 H288 B12 N28 -","4","0.5","","Zender, Elena; Valverde, Danillo; Neubaur, Robert; Karger, Sebastian; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Olivier, Yoann; Wagner, Matthias","Borylation and rearrangement reactions of azasilaanthracenes to afford B,N-doped nanographenes.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9294","9300","10.1039/d4dt01166j","","","0.71073","MoKα","","0.0864","0.0575","","","0.1501","0.167","","","","","","1.032","","","","has coordinates,has disorder","293020","2024-07-05","16:04:16",""
"7715977","13.4369","0.0008","15.3305","0.0009","16.2651","0.001","93.335","0.005","104.594","0.005","95.069","0.005","3218.5","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C43.75 H29 B2 N3 -","- C43.75 H29 B2 N3 -","- C175 H116 B8 N12 -","4","2","","Zender, Elena; Valverde, Danillo; Neubaur, Robert; Karger, Sebastian; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Olivier, Yoann; Wagner, Matthias","Borylation and rearrangement reactions of azasilaanthracenes to afford B,N-doped nanographenes.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9294","9300","10.1039/d4dt01166j","","","0.71073","MoKα","","0.0889","0.0563","","","0.1307","0.1511","","","","","","1.018","","","","has coordinates,has disorder","293020","2024-07-05","16:04:17",""
"7715978","12.53928","0.0001","13.09723","0.0001","20.87428","0.00018","104.878","0.0007","102.068","0.0007","103.795","0.0007","3081.36","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H28 B2 N3 -","- C45 H28 B2 N3 -","- C180 H112 B8 N12 -","4","2","","Zender, Elena; Valverde, Danillo; Neubaur, Robert; Karger, Sebastian; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Olivier, Yoann; Wagner, Matthias","Borylation and rearrangement reactions of azasilaanthracenes to afford B,N-doped nanographenes.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9294","9300","10.1039/d4dt01166j","","x-ray","0.5","synchrotron","","0.048","0.0446","","","0.1319","0.1351","","","","","","1.061","","","","has coordinates","293020","2024-07-05","16:04:17",""
"7715979","12.7063","0.0009","13.7794","0.0011","15.4494","0.0012","114.175","0.008","101.129","0.006","103.186","0.007","2274.3","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H38 B3 Cl6 N3 -","- C53 H38 B3 Cl6 N3 -","- C106 H76 B6 Cl12 N6 -","2","1","","Zender, Elena; Valverde, Danillo; Neubaur, Robert; Karger, Sebastian; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Olivier, Yoann; Wagner, Matthias","Borylation and rearrangement reactions of azasilaanthracenes to afford B,N-doped nanographenes.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9294","9300","10.1039/d4dt01166j","","x-ray","0.5","synchrotron","","0.088","0.0799","","","0.2399","0.2472","","","","","","1.058","","","","has coordinates,has disorder","293020","2024-07-05","16:04:17",""
"7715980","33.9","0.003","12.1623","0.0007","15.9963","0.0011","90","","117.866","0.008","90","","5830.5","0.9","238","2","238","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 N2 Si2 -","- C34 H32 N2 Si2 -","- C272 H256 N16 Si16 -","8","1","","Zender, Elena; Valverde, Danillo; Neubaur, Robert; Karger, Sebastian; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Olivier, Yoann; Wagner, Matthias","Borylation and rearrangement reactions of azasilaanthracenes to afford B,N-doped nanographenes.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9294","9300","10.1039/d4dt01166j","","","0.71073","MoKα","","0.0796","0.0537","","","0.1321","0.1486","","","","","","1.031","","","","has coordinates","293020","2024-07-05","16:04:17",""
"7715981","14.4866","0.0002","9.54883","0.00017","27.3251","0.0005","90","","96.5701","0.0015","90","","3755.06","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H42 B2 N2 -","- C48 H42 B2 N2 -","- C192 H168 B8 N8 -","4","1","","Zender, Elena; Valverde, Danillo; Neubaur, Robert; Karger, Sebastian; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Olivier, Yoann; Wagner, Matthias","Borylation and rearrangement reactions of azasilaanthracenes to afford B,N-doped nanographenes.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9294","9300","10.1039/d4dt01166j","","x-ray","0.56002","synchrotron","","0.0578","0.0461","","","0.1263","0.1392","","","","","","1.081","","","","has coordinates","293020","2024-07-05","16:04:17",""
"7715982","37.25924","0.00016","12.33778","0.00005","31.13083","0.00016","90","","90","","90","","14310.7","0.11","123","0.1","123","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[Li([12]crown-4)2][1,2,3-P3C2tBu2].(C4H8O)","","- C30 H58 Li O9 P3 -","- C28 H54 Li O8.5 P3 -","- C448 H864 Li16 O136 P48 -","16","2","","Uttendorfer, Maria K.; Hierlmeier, Gabriele; Balázs, Gábor; Wolf, Robert","Access to 1,2,3-triphospholide ligands by reduction of di-<i>tert</i>-butyldiphosphatetrahedrane.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10113","10119","10.1039/d4dt01067a","","x-ray","1.54184","CuKα","","0.0461","0.0413","","","0.1143","0.1178","","","","","","1.042","","","","has coordinates,has disorder","293002","2024-07-05","15:57:06",""
"7715983","10.3193","0.0001","16.0011","0.0001","17.6998","0.0002","90","","106.489","0.001","90","","2802.4","0.05","123.05","0.1","123.05","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Rb([18]crown-6)][1,2,3-P3C2tBu2]","","- C22 H42 O6 P3 Rb -","- C22 H42 O6 P3 Rb -","- C88 H168 O24 P12 Rb4 -","4","1","","Uttendorfer, Maria K.; Hierlmeier, Gabriele; Balázs, Gábor; Wolf, Robert","Access to 1,2,3-triphospholide ligands by reduction of di-<i>tert</i>-butyldiphosphatetrahedrane.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10113","10119","10.1039/d4dt01067a","","x-ray","1.54184","CuKα","","0.045","0.0445","","","0.1143","0.1148","","","","","","1.028","","","","has coordinates","293002","2024-07-05","15:57:07",""
"7715984","10.2485","0.0005","13.0851","0.0005","16.33","0.0009","90","","107.637","0.005","90","","2086.96","0.18","123","0.1","123","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[Cp*Ru(?5-1,2,3-P3C2tBu2)]","","- C20 H33 P3 Ru -","- C20 H33 P3 Ru -","- C80 H132 P12 Ru4 -","4","1","","Uttendorfer, Maria K.; Hierlmeier, Gabriele; Balázs, Gábor; Wolf, Robert","Access to 1,2,3-triphospholide ligands by reduction of di-<i>tert</i>-butyldiphosphatetrahedrane.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10113","10119","10.1039/d4dt01067a","","x-ray","1.54184","CuKα","","0.0264","0.0259","","","0.0685","0.069","","","","","","1.055","","","","has coordinates","293002","2024-07-05","15:57:07",""
"7715985","10.1779","0.0002","12.7916","0.0002","16.426","0.0002","90","","107.87","0.002","90","","2035.35","0.06","122.97","0.16","122.97","0.16","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[Cp*Fe(?5-1,2,3-P3C2tBu2)]","","- C20 H33 Fe P3 -","- C20 H33 Fe P3 -","- C80 H132 Fe4 P12 -","4","1","","Uttendorfer, Maria K.; Hierlmeier, Gabriele; Balázs, Gábor; Wolf, Robert","Access to 1,2,3-triphospholide ligands by reduction of di-<i>tert</i>-butyldiphosphatetrahedrane.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10113","10119","10.1039/d4dt01067a","","x-ray","1.54184","CuKα","","0.0298","0.028","","","0.0772","0.0783","","","","","","1.073","","","","has coordinates","293002","2024-07-05","15:57:07",""
"7715986","9.3862","0.0002","10.5727","0.0002","16.3426","0.0004","90.511","0.002","98.341","0.002","101.542","0.002","1570.99","0.06","123.02","0.1","123.02","0.1","","","","","","","","5","P -1","-P 1","2","","[Rb([18]crown-6)][1,3-P2C3tBu3]","","- C27 H51 O6 P2 Rb -","- C27 H51 O6 P2 Rb -","- C54 H102 O12 P4 Rb2 -","2","1","","Uttendorfer, Maria K.; Hierlmeier, Gabriele; Balázs, Gábor; Wolf, Robert","Access to 1,2,3-triphospholide ligands by reduction of di-<i>tert</i>-butyldiphosphatetrahedrane.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10113","10119","10.1039/d4dt01067a","","x-ray","1.54184","CuKα","","0.0523","0.0518","","","0.1228","0.123","","","","","","1.152","","","","has coordinates","293002","2024-07-05","15:57:07",""
"7715987","19.2177","0.0005","12.5176","0.0003","22.1442","0.0006","90","","112.755","0.003","90","","4912.4","0.2","123","0.1","123","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","tBu4C4P6","","- C20 H36 P6 -","- C20 H36 P6 -","- C160 H288 P48 -","8","1","","Uttendorfer, Maria K.; Hierlmeier, Gabriele; Balázs, Gábor; Wolf, Robert","Access to 1,2,3-triphospholide ligands by reduction of di-<i>tert</i>-butyldiphosphatetrahedrane.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10113","10119","10.1039/d4dt01067a","","x-ray","1.54184","CuKα","","0.0471","0.0411","","","0.1128","0.1174","","","","","","1.041","","","","has coordinates","293002","2024-07-05","15:57:07",""
"7715988","9.5881","0.0001","17.1596","0.0001","17.2604","0.0001","90","","90","","90","","2839.82","0.04","123.01","0.1","123.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[K([18]crown-6)][1,2,3-P3C2tBu2]","","- C22 H42 K O6 P3 -","- C22 H42 K O6 P3 -","- C88 H168 K4 O24 P12 -","4","1","","Uttendorfer, Maria K.; Hierlmeier, Gabriele; Balázs, Gábor; Wolf, Robert","Access to 1,2,3-triphospholide ligands by reduction of di-<i>tert</i>-butyldiphosphatetrahedrane.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10113","10119","10.1039/d4dt01067a","","x-ray","1.54184","CuKα","","0.0238","0.0236","","","0.0632","0.0634","","","","","","1.069","","","","has coordinates","293002","2024-07-05","15:57:07",""
"7715989","28.9299","0.0012","19.9584","0.0012","23.2361","0.0011","90","","100.411","0.002","90","","13195.5","1.2","140","2","140","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C45 H42 Co1.5 F9 Fe N15 O6 -","- C45 H42 Co1.5 F9 Fe N15 O6 -","- C360 H336 Co12 F72 Fe8 N120 O48 -","8","1","","Yadav, Jyoti; Nandi, Monojit; Kharel, Ranjan; Mukherjee, Moubani; Konar, Sanjit","Thermal and protonation-induced electron transfer coupled spin transition in a discrete [Fe<sub>2</sub>Co<sub>3</sub>] Prussian blue analogue.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","8910","8914","10.1039/d4dt00593g","","","0.71073","MoKα","","0.0592","0.0461","","","0.1187","0.1277","","","","","","1.03","","","","has coordinates","293155","2024-07-05","17:01:30",""
"7715990","13.5146","0.0008","32.1214","0.0018","32.1214","0.0018","103.63","","90.853","0.003","90.853","0.003","13547.5","1.3","40","2","40","2","","","","","","","","6","P -1","-P 1","2","","","","- C85 H76 N3 O2 S2 Yb -","- C85 H76 N3 O2 S2 Yb -","- C680 H608 N24 O16 S16 Yb8 -","8","4","","Lukina, Daria A.; Skatova, Alexandra A.; Rumyantcev, Roman V.; Demeshko, Serhiy V.; Meyer, Franc; Fedushkin, Igor L.","Gradual solid-state redox-isomerism in the lanthanide series.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8850","8856","10.1039/d4dt00484a","","","0.71073","MoKα","","0.1291","0.0593","","","0.0897","0.1102","","","","","","0.8","","","","has coordinates","293086","2024-07-05","16:34:33",""
"7715991","13.6757","0.0005","25.5176","0.0009","20.2107","0.0007","90","","91.5527","0.0011","90","","7050.4","0.4","350","2","350","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C85 H76 N3 O2 S2 Yb -","- C85 H76 N3 O2 S2 Yb -","- C340 H304 N12 O8 S8 Yb4 -","4","1","","Lukina, Daria A.; Skatova, Alexandra A.; Rumyantcev, Roman V.; Demeshko, Serhiy V.; Meyer, Franc; Fedushkin, Igor L.","Gradual solid-state redox-isomerism in the lanthanide series.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8850","8856","10.1039/d4dt00484a","","","0.71073","MoKα","","0.0553","0.0373","","","0.0827","0.0905","","","","","","1.036","","","","has coordinates,has disorder","295834","2024-11-08","15:16:54",""
"7715992","13.5724","0.0006","25.3618","0.0011","59.899","0.003","90","","91.2838","0.0014","90","","20613.3","1.6","190","2","190","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C85 H76 N3 O2 S2 Yb -","- C85 H76 N3 O2 S2 Yb -","- C1020 H912 N36 O24 S24 Yb12 -","12","3","","Lukina, Daria A.; Skatova, Alexandra A.; Rumyantcev, Roman V.; Demeshko, Serhiy V.; Meyer, Franc; Fedushkin, Igor L.","Gradual solid-state redox-isomerism in the lanthanide series.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8850","8856","10.1039/d4dt00484a","","","0.71073","MoKα","","0.0664","0.0493","","","0.1207","0.1278","","","","","","1.065","","","","has coordinates,has disorder","295834","2024-11-08","15:16:54",""
"7715993","13.5191","0.0005","32.1317","0.0012","32.1481","0.0012","103.64","0.0012","90.8641","0.0013","90.8324","0.0013","13567.1","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C85 H76 N3 O2 S2 Yb -","- C85 H76 N3 O2 S2 Yb -","- C680 H608 N24 O16 S16 Yb8 -","8","4","","Lukina, Daria A.; Skatova, Alexandra A.; Rumyantcev, Roman V.; Demeshko, Serhiy V.; Meyer, Franc; Fedushkin, Igor L.","Gradual solid-state redox-isomerism in the lanthanide series.","Dalton transactions (Cambridge, England : 2003)","2024","53","20","8850","8856","10.1039/d4dt00484a","","","0.71073","MoKα","","0.0391","0.0321","","","0.0624","0.0643","","","","","","1.017","","","","has coordinates","293086","2024-07-05","16:34:43",""
"7715994","10.8548","0.0016","13.219","0.002","23.317","0.004","90","","90","","90","","3345.7","0.9","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H22 Ce F9 O8 -","- C30 H22 Ce F9 O8 -","- C120 H88 Ce4 F36 O32 -","4","1","","Tubau, Ànnia; Gómez-Coca, Silvia; Speed, Saskia; Font-Bardía, Mercè; Vicente, Ramon","New series of mononuclear β-diketonate cerium(III) field induced single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9387","9405","10.1039/d4dt00848k","","","0.71073","MoKα","","0.0659","0.0527","","","0.1414","0.1523","","","","","","1.056","","","","has coordinates","293010","2024-07-05","16:01:32",""
"7715995","10.8091","0.0003","14.0772","0.0005","21.079","0.0007","90","","90","","90","","3207.42","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H22 Ce F9 O8 -","- C30 H22 Ce F9 O8 -","- C120 H88 Ce4 F36 O32 -","4","1","","Tubau, Ànnia; Gómez-Coca, Silvia; Speed, Saskia; Font-Bardía, Mercè; Vicente, Ramon","New series of mononuclear β-diketonate cerium(III) field induced single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9387","9405","10.1039/d4dt00848k","","","0.71073","MoKα","","0.0377","0.0307","","","0.0599","0.0633","","","","","","1.085","","","","has coordinates","293010","2024-07-05","16:01:33",""
"7715996","10.5626","0.0006","10.5626","0.0006","38.185","0.002","90","","90","","90","","4260.2","0.4","100","2","100","2","","","","","","","","6","P 43","P 4cw","78","","","","- C45 H29 Ce F9 N3 O6 -","- C45 H29 Ce F9 N3 O6 -","- C180 H116 Ce4 F36 N12 O24 -","4","1","","Tubau, Ànnia; Gómez-Coca, Silvia; Speed, Saskia; Font-Bardía, Mercè; Vicente, Ramon","New series of mononuclear β-diketonate cerium(III) field induced single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9387","9405","10.1039/d4dt00848k","","","0.71073","MoKα","","0.0264","0.0253","","","0.0537","0.0542","","","","","","1.145","","","","has coordinates","293010","2024-07-05","16:01:42",""
"7715997","15.4985","0.0006","17.0389","0.0007","20.7744","0.0009","90","","107.757","0.002","90","","5224.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H41 Ce F9 N3 O7 -","- C57 H41 Ce F9 N3 O7 -","- C228 H164 Ce4 F36 N12 O28 -","4","1","","Tubau, Ànnia; Gómez-Coca, Silvia; Speed, Saskia; Font-Bardía, Mercè; Vicente, Ramon","New series of mononuclear β-diketonate cerium(III) field induced single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9387","9405","10.1039/d4dt00848k","","","0.71073","MoKα","","0.0941","0.0612","","","0.1392","0.166","","","","","","1.064","","","","has coordinates","293010","2024-07-05","16:01:42",""
"7715998","10.8841","0.0008","12.3497","0.0009","17.1066","0.0012","88.341","0.003","76.6","0.003","66.494","0.003","2046","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H31 Ce F9 N2 O7 -","- C42 H31 Ce F9 N2 O7 -","- C84 H62 Ce2 F18 N4 O14 -","2","1","","Tubau, Ànnia; Gómez-Coca, Silvia; Speed, Saskia; Font-Bardía, Mercè; Vicente, Ramon","New series of mononuclear β-diketonate cerium(III) field induced single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9387","9405","10.1039/d4dt00848k","","","0.71073","MoKα","","0.0574","0.0491","","","0.1162","0.1253","","","","","","1.056","","","","has coordinates,has disorder","293010","2024-07-05","16:01:42",""
"7715999","9.6048","0.0007","36.456","0.003","10.9642","0.0007","90","","93.01","0.003","90","","3833.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H26 Ce F9 N2 O6 -","- C42 H26 Ce F9 N2 O6 -","- C168 H104 Ce4 F36 N8 O24 -","4","1","","Tubau, Ànnia; Gómez-Coca, Silvia; Speed, Saskia; Font-Bardía, Mercè; Vicente, Ramon","New series of mononuclear β-diketonate cerium(III) field induced single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9387","9405","10.1039/d4dt00848k","","","0.71073","MoKα","","0.046","0.0332","","","0.0572","0.0617","","","","","","1.12","","","","has coordinates","293010","2024-07-05","16:01:42",""
"7716000","11.1505","0.0008","22.8068","0.0015","15.0009","0.0012","90","","99.925","0.003","90","","3757.7","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H26 Ce F9 N2 O6 -","- C40 H26 Ce F9 N2 O6 -","- C160 H104 Ce4 F36 N8 O24 -","4","1","","Tubau, Ànnia; Gómez-Coca, Silvia; Speed, Saskia; Font-Bardía, Mercè; Vicente, Ramon","New series of mononuclear β-diketonate cerium(III) field induced single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9387","9405","10.1039/d4dt00848k","","","0.71073","MoKα","","0.0354","0.0233","","","0.046","0.0539","","","","","","1.117","","","","has coordinates","293010","2024-07-05","16:01:42",""
"7716001","15.9874","0.0006","18.4762","0.0008","19.2522","0.0008","98.646","0.001","112.536","0.001","105.946","0.001","4836.7","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C120.3 H99.45 B2 Co N10.75 O1.05 -","- C120.3 H99.45 B2 Co N10.75 O1.05 -","- C240.6 H198.9 B4 Co2 N21.5 O2.1 -","2","1","","Izumiyama, Naoki; Fujii, Shun; Kato, Kiichi; Tokunaga, Ryuya; Hayami, Shinya; Nakaya, Manabu","Spin-crossover cobalt(II) complexes exhibiting temperature- and concentration-dependent optical changes in solution.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9547","9553","10.1039/d4dt00433g","","","0.71073","MoKα","","0.0529","0.0461","","","0.119","0.1248","","","","","","1.026","","","","has coordinates,has disorder","293016","2024-07-05","16:02:58",""
"7716002","10.5636","0.0004","16.2032","0.0006","35.959","0.0017","90","","91.231","0.002","90","","6153.5","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H53 Co F12 N10 P2 -","- C70 H53 Co F12 N10 P2 -","- C280 H212 Co4 F48 N40 P8 -","4","1","","Izumiyama, Naoki; Fujii, Shun; Kato, Kiichi; Tokunaga, Ryuya; Hayami, Shinya; Nakaya, Manabu","Spin-crossover cobalt(II) complexes exhibiting temperature- and concentration-dependent optical changes in solution.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9547","9553","10.1039/d4dt00433g","","","0.71073","MoKα","","0.0824","0.0604","","","0.1506","0.1668","","","","","","1.023","","","","has coordinates","293016","2024-07-05","16:03:08",""
"7716003","15.346","0.002","16.02","0.002","18.525","0.003","75.417","0.005","89.684","0.005","88.213","0.006","4405.4","1.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C92 H80 Co2 F24 N16 P4 -","- C92 H80 Co2 F24 N16 P4 -","- C184 H160 Co4 F48 N32 P8 -","2","1","","Izumiyama, Naoki; Fujii, Shun; Kato, Kiichi; Tokunaga, Ryuya; Hayami, Shinya; Nakaya, Manabu","Spin-crossover cobalt(II) complexes exhibiting temperature- and concentration-dependent optical changes in solution.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9547","9553","10.1039/d4dt00433g","","","0.71073","MoKα","","0.1787","0.1285","","","0.2858","0.3185","","","","","","1.068","","","","has coordinates,has disorder","293016","2024-07-05","16:03:09",""
"7716004","39.4872","0.0017","11.474","0.0004","16.3188","0.0008","90","","90","","90","","7393.7","0.5","296.15","","296.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C94 H80 B2 Co N8 -","- C94 H80 B2 Co N8 -","- C376 H320 B8 Co4 N32 -","4","1","","Izumiyama, Naoki; Fujii, Shun; Kato, Kiichi; Tokunaga, Ryuya; Hayami, Shinya; Nakaya, Manabu","Spin-crossover cobalt(II) complexes exhibiting temperature- and concentration-dependent optical changes in solution.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9547","9553","10.1039/d4dt00433g","","","0.71073","MoKα","","0.0542","0.0462","","","0.0997","0.1042","","","","","","1.073","","","","has coordinates","293016","2024-07-05","16:03:09",""
"7716005","12.9401","0.0008","13.1181","0.0008","13.9436","0.0006","68.923","0.005","80.861","0.004","66.577","0.006","2026.2","0.2","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H38 Cl2 N6 O12 Zn -","- C40 H38 Cl2 N6 O12 Zn -","- C80 H76 Cl4 N12 O24 Zn2 -","2","1","","Nowicka, Daria; Marcinkowski, Dawid; Vadra, Nahir; Szymańska, Martyna; Kubicki, Maciej; Consiglio, Giuseppe; Drożdż, Wojciech; Stefankiewicz, Artur R.; Patroniak, Violetta; Fik-Jaskółka, Marta; Gorczyński, Adam","The effect of ionic <i>versus</i> covalent functionalization of polyoxometalate hybrid materials with coordinating subunits on their stability and interaction with DNA.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11678","11688","10.1039/d4dt00965g","","x-ray","0.71073","MoKα","","0.0923","0.0775","","","0.199","0.2085","","","","","","1.056","","","","has coordinates,has disorder","293828","2024-08-05","18:50:24",""
"7716006","7.3203","0.0008","7.8613","0.0008","10.8262","0.0012","81.6096","0.0019","77.6448","0.0018","79.8104","0.0018","595.19","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Au2 Fe N8 O2 -","- C20 H16 Au2 Fe N8 O2 -","- C20 H16 Au2 Fe N8 O2 -","1","0.5","","Kitase, Kosuke; Akahoshi, Daisuke; Kitazawa, Takafumi","Soma-Iwamoto-type SCO complex Fe(quinazoline)<sub>2</sub>[Au(CN)<sub>2</sub>]<sub>2</sub> using the quinazoline-type ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9248","9251","10.1039/d4dt00458b","","","0.71073","MoKα","","0.047","0.038","","","0.0946","0.0994","","","","","","0.985","","","","has coordinates","293013","2024-07-05","16:02:22",""
"7716007","10.662","0.003","14.119","0.003","14.375","0.004","90","","94.257","0.004","90","","2158","1","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 Au2 Fe N8 -","- C20 H12 Au2 Fe N8 -","- C80 H48 Au8 Fe4 N32 -","4","1","","Kitase, Kosuke; Akahoshi, Daisuke; Kitazawa, Takafumi","Soma-Iwamoto-type SCO complex Fe(quinazoline)<sub>2</sub>[Au(CN)<sub>2</sub>]<sub>2</sub> using the quinazoline-type ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9248","9251","10.1039/d4dt00458b","","","0.71073","MoKα","","0.1282","0.0489","","","0.1305","0.1799","","","","","","0.933","","","","has coordinates,has disorder","293013","2024-07-05","16:02:23",""
"7716008","7.2983","0.0011","7.7651","0.0012","10.7931","0.0017","80.236","0.004","76.919","0.003","79.867","0.003","581.11","0.16","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Au2 Fe N8 O2 -","- C20 H16 Au2 Fe N8 O2 -","- C20 H16 Au2 Fe N8 O2 -","1","0.5","","Kitase, Kosuke; Akahoshi, Daisuke; Kitazawa, Takafumi","Soma-Iwamoto-type SCO complex Fe(quinazoline)<sub>2</sub>[Au(CN)<sub>2</sub>]<sub>2</sub> using the quinazoline-type ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9248","9251","10.1039/d4dt00458b","","","0.71073","MoKα","","0.0329","0.0315","","","0.0875","0.0894","","","","","","0.809","","","","has coordinates","293013","2024-07-05","16:02:23",""
"7716009","10.8433","0.001","14.6937","0.0014","14.7279","0.0014","90","","93.865","0.002","90","","2341.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 Au2 Fe N8 -","- C20 H12 Au2 Fe N8 -","- C80 H48 Au8 Fe4 N32 -","4","1","","Kitase, Kosuke; Akahoshi, Daisuke; Kitazawa, Takafumi","Soma-Iwamoto-type SCO complex Fe(quinazoline)<sub>2</sub>[Au(CN)<sub>2</sub>]<sub>2</sub> using the quinazoline-type ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9248","9251","10.1039/d4dt00458b","","","0.71073","MoKα","","0.0991","0.0438","","","0.1373","0.1756","","","","","","0.951","","","","has coordinates,has disorder","293013","2024-07-05","16:02:23",""
"7716010","10.698","0.003","14.331","0.004","14.527","0.004","90","","94.049","0.004","90","","2221.6","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 Au2 Fe N8 -","- C20 H12 Au2 Fe N8 -","- C80 H48 Au8 Fe4 N32 -","4","1","","Kitase, Kosuke; Akahoshi, Daisuke; Kitazawa, Takafumi","Soma-Iwamoto-type SCO complex Fe(quinazoline)<sub>2</sub>[Au(CN)<sub>2</sub>]<sub>2</sub> using the quinazoline-type ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9248","9251","10.1039/d4dt00458b","","","0.71073","MoKα","","0.1534","0.0542","","","0.141","0.1944","","","","","","0.946","","","","has coordinates,has disorder","293013","2024-07-05","16:02:23",""
"7716011","7.4855","0.0004","8.576","0.0004","13.7433","0.0007","90","","104.06","0.001","90","","855.83","0.07","193","2","193","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C17 H12 Cl N4 O3 Re -","- C17 H12 Cl N4 O3 Re -","- C34 H24 Cl2 N8 O6 Re2 -","2","1","","Vanucci-Bacqué, Corinne; Wolff, Mariusz; Delavaux-Nicot, Béatrice; Abdallah, Abanoub Mosaad; Mallet-Ladeira, Sonia; Serpentini, Charles-Louis; Bedos-Belval, Florence; Fong, Kar Wai; Ng, Xiao Ying; Low, May Lee; Benoist, Eric; Fery-Forgues, Suzanne","1,2,3-Triazol-5-ylidene- <i>vs.</i> 1,2,3-triazole-based tricarbonylrhenium(I) complexes: influence of a mesoionic carbene ligand on the electronic and biological properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11276","11294","10.1039/d4dt00922c","","","0.71073","MoKα","","0.0177","0.0166","","","0.0374","0.0377","","","","","","1.091","","","","has coordinates","293854","2024-08-05","19:02:16",""
"7716012","13.0933","0.0005","8.7846","0.0004","15.9309","0.0007","90","","92.1447","0.0017","90","","1831.08","0.14","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cl N4 O3 Re -","- C18 H14 Cl N4 O3 Re -","- C72 H56 Cl4 N16 O12 Re4 -","4","1","","Vanucci-Bacqué, Corinne; Wolff, Mariusz; Delavaux-Nicot, Béatrice; Abdallah, Abanoub Mosaad; Mallet-Ladeira, Sonia; Serpentini, Charles-Louis; Bedos-Belval, Florence; Fong, Kar Wai; Ng, Xiao Ying; Low, May Lee; Benoist, Eric; Fery-Forgues, Suzanne","1,2,3-Triazol-5-ylidene- <i>vs.</i> 1,2,3-triazole-based tricarbonylrhenium(I) complexes: influence of a mesoionic carbene ligand on the electronic and biological properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11276","11294","10.1039/d4dt00922c","","","0.71073","MoKα","","0.0168","0.0145","","","0.0311","0.0319","","","","","","1.095","","","","has coordinates","293854","2024-08-05","19:02:17",""
"7716013","13.1442","0.001","6.8213","0.0005","36.375","0.003","90","","90","","90","","3261.4","0.4","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H10 Cl N4 O3 Re -","- C16 H10 Cl N4 O3 Re -","- C128 H80 Cl8 N32 O24 Re8 -","8","1","","Vanucci-Bacqué, Corinne; Wolff, Mariusz; Delavaux-Nicot, Béatrice; Abdallah, Abanoub Mosaad; Mallet-Ladeira, Sonia; Serpentini, Charles-Louis; Bedos-Belval, Florence; Fong, Kar Wai; Ng, Xiao Ying; Low, May Lee; Benoist, Eric; Fery-Forgues, Suzanne","1,2,3-Triazol-5-ylidene- <i>vs.</i> 1,2,3-triazole-based tricarbonylrhenium(I) complexes: influence of a mesoionic carbene ligand on the electronic and biological properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11276","11294","10.1039/d4dt00922c","","","0.71073","MoKα","","0.0321","0.0213","","","0.0402","0.0435","","","","","","1.033","","","","has coordinates","293854","2024-08-05","19:02:17",""
"7716014","17.111","0.0011","10.913","0.0008","9.7176","0.0007","90","","99.738","0.003","90","","1788.4","0.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 Cl N4 O3 Re -","- C17 H12 Cl N4 O3 Re -","- C68 H48 Cl4 N16 O12 Re4 -","4","1","","Vanucci-Bacqué, Corinne; Wolff, Mariusz; Delavaux-Nicot, Béatrice; Abdallah, Abanoub Mosaad; Mallet-Ladeira, Sonia; Serpentini, Charles-Louis; Bedos-Belval, Florence; Fong, Kar Wai; Ng, Xiao Ying; Low, May Lee; Benoist, Eric; Fery-Forgues, Suzanne","1,2,3-Triazol-5-ylidene- <i>vs.</i> 1,2,3-triazole-based tricarbonylrhenium(I) complexes: influence of a mesoionic carbene ligand on the electronic and biological properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11276","11294","10.1039/d4dt00922c","","","0.71073","MoKα","","0.0357","0.025","","","0.0504","0.0524","","","","","","1.067","","","","has coordinates","293854","2024-08-05","19:02:17",""
"7716015","3.8401","0.0002","13.4023","0.0008","16.4598","0.0011","90","","90","","90","","847.12","0.09","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 Cd Cl2 N O -","- C6 H7 Cd Cl2 N O -","- C24 H28 Cd4 Cl8 N4 O4 -","4","1","","Zhang, Yan; Li, Yu-Xia; Gao, Kai-Ge; Zhang, Jia-Hui; Hu, Jie-Sheng; Tao, Jun; Yao, Zi-Shuo","An elastic single crystal composed of one-dimensional chiral coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","8905","8909","10.1039/d4dt01050g","","x-ray","0.71073","MoKα","","0.0396","0.0284","","","0.0592","0.0627","","","","","","1.03","","","","has coordinates","293158","2024-07-05","17:01:57",""
"7716016","3.8327","0.0002","13.3752","0.0006","16.4327","0.0008","90","","90","","90","","842.39","0.07","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 Cd Cl2 N O -","- C6 H7 Cd Cl2 N O -","- C24 H28 Cd4 Cl8 N4 O4 -","4","1","","Zhang, Yan; Li, Yu-Xia; Gao, Kai-Ge; Zhang, Jia-Hui; Hu, Jie-Sheng; Tao, Jun; Yao, Zi-Shuo","An elastic single crystal composed of one-dimensional chiral coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","8905","8909","10.1039/d4dt01050g","","x-ray","0.71073","MoKα","","0.0294","0.0243","","","0.0481","0.0498","","","","","","1.039","","","","has coordinates","293158","2024-07-05","17:02:01",""
"7716017","9.661","0.017","8.429","0.017","22.1","0.04","90","","92.25","0.04","90","","1798","6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 N8 O4 S2 Zn -","- C36 H42 N8 O4 S2 Zn -","- C72 H84 N16 O8 S4 Zn2 -","2","0.5","","Côrte-Real, Leonor; Sergi, Baris; Yildirim, Busra; Colucas, Raquel; Starosta, Radosław; Fontrodona, Xavier; Romero, Isabel; André, Vânia; Acilan, Ceyda; Correia, Isabel","Enhanced selectivity towards melanoma cells with zinc(II)-Schiff bases containing imidazole derivatives.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9416","9432","10.1039/d4dt00733f","","","0.71076","MoKα","","0.0741","0.0545","","","0.1065","0.1129","","","","","","1.145","","","","has coordinates","293012","2024-07-05","16:02:10",""
"7716018","8.439","0.002","17.238","0.004","10.585","0.003","90","","105.652","0.01","90","","1482.7","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 N8 O2 -","- C34 H36 N8 O2 -","- C68 H72 N16 O4 -","2","0.5","","Côrte-Real, Leonor; Sergi, Baris; Yildirim, Busra; Colucas, Raquel; Starosta, Radosław; Fontrodona, Xavier; Romero, Isabel; André, Vânia; Acilan, Ceyda; Correia, Isabel","Enhanced selectivity towards melanoma cells with zinc(II)-Schiff bases containing imidazole derivatives.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9416","9432","10.1039/d4dt00733f","","","0.71073","MoKα","","0.1138","0.0543","","","0.1063","0.1271","","","","","","1.01","","","","has coordinates","293012","2024-07-05","16:02:11",""
"7716019","17.0204","0.0005","16.7422","0.0005","14.6331","0.0004","90","","91.766","0.002","90","","4167.9","0.2","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C28 H34 Br2 Cu5 N6 O17 -","- C28 H35 Br2 Cu5 N6 O17 -","- C112 H140 Br8 Cu20 N24 O68 -","4","0.5","","Dhir, Rupy; Shah, Bulle; Singh, Narinder","Synthesis and characterization of a novel copper carboxylate complex and a copper complex-coated polyether sulfone membrane for efficient degradation of methylene blue dye under UV irradiation: the single crystal X-ray structure of the copper carboxylate complex.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9441","9451","10.1039/d4dt00871e","","x-ray","0.71073","MoKα","","0.0826","0.0556","","","0.161","0.1753","","","","","","1.068","","","","has coordinates","293015","2024-07-05","16:02:38",""
"7716020","13.1291","0.0005","19.1015","0.0007","20.7513","0.0009","90","","93.49","0.004","90","","5194.5","0.4","100","0.3","100","0.3","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H36 Cu1.5 N16 O42 P W11 -","- C11 H33 Cu1.5 N15.5 O42 P W11 -","- C44 H132 Cu6 N62 O168 P4 W44 -","4","1","","Ruiz-Bilbao, Estibaliz; Pache, Aroa; Barrenechea, Unai; Reinoso, Santiago; San Felices, Leire; Vivanco, Maria dM; Lezama, Luis; Artetxe, Beñat; Gutiérrez-Zorrilla, Juan M","Crystal-to-crystal polymerisation of monosubstituted [PW<sub>11</sub>O<sub>39</sub>Cu(H<sub>2</sub>O)]<sup>5-</sup> Keggin-type anions.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","9042","9051","10.1039/d4dt00690a","","","0.71073","MoKα","","0.1262","0.0869","","","0.2104","0.2437","","","","","","1.038","","","","has coordinates,has disorder","293147","2024-07-05","16:59:56",""
"7716021","13.0736","0.0003","19.0786","0.0006","20.5732","0.0007","90","","93.78","0.003","90","","5120.3","0.3","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H34 Cu1.5 N16 O41 P W11 -","- C11 H34 Cu1.5 N16 O41 P W11 -","- C44 H136 Cu6 N64 O164 P4 W44 -","4","1","","Ruiz-Bilbao, Estibaliz; Pache, Aroa; Barrenechea, Unai; Reinoso, Santiago; San Felices, Leire; Vivanco, Maria dM; Lezama, Luis; Artetxe, Beñat; Gutiérrez-Zorrilla, Juan M","Crystal-to-crystal polymerisation of monosubstituted [PW<sub>11</sub>O<sub>39</sub>Cu(H<sub>2</sub>O)]<sup>5-</sup> Keggin-type anions.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","9042","9051","10.1039/d4dt00690a","","x-ray","0.71073","MoKα","","0.0994","0.074","","","0.1765","0.1971","","","","","","1.016","","","","has coordinates,has disorder","293147","2024-07-05","16:59:57",""
"7716022","11.96551","0.00018","21.5917","0.0003","22.2169","0.0003","90","","93.8906","0.0014","90","","5726.63","0.14","150.15","","150.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H46 Cu1.5 N16 O47 P W11 -","- C11 H33.5 Cu1.5 N16 O47 P W11 -","- C44 H134 Cu6 N64 O188 P4 W44 -","4","1","","Ruiz-Bilbao, Estibaliz; Pache, Aroa; Barrenechea, Unai; Reinoso, Santiago; San Felices, Leire; Vivanco, Maria dM; Lezama, Luis; Artetxe, Beñat; Gutiérrez-Zorrilla, Juan M","Crystal-to-crystal polymerisation of monosubstituted [PW<sub>11</sub>O<sub>39</sub>Cu(H<sub>2</sub>O)]<sup>5-</sup> Keggin-type anions.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","9042","9051","10.1039/d4dt00690a","","x-ray","0.71073","MoKα","","0.0347","0.0276","","","0.0588","0.0607","","","","","","1.104","","","","has coordinates,has disorder","293147","2024-07-05","16:59:57",""
"7716023","14.855","0.003","26.201","0.005","26.599","0.005","90","","90","","90","","10353","3","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C102 H110 Cl4 N12 Ni2 O23 -","- C102 H105 Cl4 N12 Ni2 O23 -","- C408 H420 Cl16 N48 Ni8 O92 -","4","1","","Han, Jihun; Back, Hyo Jeong; Hossain, Mohammad M.; Jung, Ok-Sang; Lee, Young-A","Self-assembly of Ni(II) with a chiral ligand pair <i>vs</i>. mixture of the chiral ligand pair: structural features and recognition ability of Ni<sub>2</sub>L<sub>4</sub> cages.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","8934","8939","10.1039/d4dt00762j","","","0.7","synchrotron","","0.1195","0.0666","","","0.1753","0.1942","","","","","","0.957","","","","has coordinates","293140","2024-07-05","16:57:27",""
"7716024","30.615","0.006","15.581","0.002","23.797","0.004","90","","90.285","0.007","90","","11351","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C112 H132 Cl4 N12 Ni2 O30 -","- C112 H124 Cl4 N12 Ni2 O30 -","- C448 H496 Cl16 N48 Ni8 O120 -","4","0.5","","Han, Jihun; Back, Hyo Jeong; Hossain, Mohammad M.; Jung, Ok-Sang; Lee, Young-A","Self-assembly of Ni(II) with a chiral ligand pair <i>vs</i>. mixture of the chiral ligand pair: structural features and recognition ability of Ni<sub>2</sub>L<sub>4</sub> cages.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","8934","8939","10.1039/d4dt00762j","","","0.71073","MoKα","","0.1977","0.1322","","","0.3524","0.4158","","","","","","1.046","","","","has coordinates","293140","2024-07-05","16:57:27",""
"7716025","14.854","0.003","26.201","0.005","26.589","0.005","90","","90","","90","","10348","3","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C102 H110 Cl4 N12 Ni2 O23 -","- C102 H105 Cl4 N12 Ni2 O23 -","- C408 H420 Cl16 N48 Ni8 O92 -","4","1","","Han, Jihun; Back, Hyo Jeong; Hossain, Mohammad M.; Jung, Ok-Sang; Lee, Young-A","Self-assembly of Ni(II) with a chiral ligand pair <i>vs</i>. mixture of the chiral ligand pair: structural features and recognition ability of Ni<sub>2</sub>L<sub>4</sub> cages.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","8934","8939","10.1039/d4dt00762j","","","0.65","synchrotron","","0.0891","0.0624","","","0.1791","0.1926","","","","","","1.002","","","","has coordinates","293140","2024-07-05","16:57:27",""
"7716026","13.1936","0.0004","12.8662","0.0003","26.3864","0.0007","90","","99.506","0.002","90","","4417.6","0.2","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H38 F6 Ir N5 O8 S2 -","- C46 H38 F6 Ir N5 O8 S2 -","- C184 H152 F24 Ir4 N20 O32 S8 -","4","1","","Young, Yen-An; Nguyen, Huong T. H.; Nguyen, Hieu D.; Ganguly, Tuhin; Nguyen, Yennie H.; Do, Loi H.","A ratiometric substrate for rapid evaluation of transfer hydrogenation efficiency in solution.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","8887","8892","10.1039/d4dt00891j","","","0.71073","MoKα","","0.0574","0.0401","","","0.0893","0.0967","","","","","","1.018","","","","has coordinates","293159","2024-07-05","17:02:13",""
"7716027","12.4845","0.0004","26.7158","0.0007","10.6048","0.0003","90","","92.362","0.002","90","","3534.05","0.18","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C73 H68 Cl2 Ir2 N8 O6 -","- C73 H68 Cl2 Ir2 N8 O6 -","- C146 H136 Cl4 Ir4 N16 O12 -","2","0.5","","Young, Yen-An; Nguyen, Huong T. H.; Nguyen, Hieu D.; Ganguly, Tuhin; Nguyen, Yennie H.; Do, Loi H.","A ratiometric substrate for rapid evaluation of transfer hydrogenation efficiency in solution.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","8887","8892","10.1039/d4dt00891j","","","0.71073","MoKα","","0.0644","0.0436","","","0.1145","0.1239","","","","","","1.069","","","","has coordinates,has disorder","293159","2024-07-05","17:02:13",""
"7716028","13.3784","0.0007","14.5841","0.0008","15.1837","0.0008","110.935","0.001","103.351","0.0011","96.2143","0.0011","2632.2","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","47diMe56triptZrCl2","","- C68 H62 Cl2 Si Zr -","- C68 H62 Cl2 Si Zr -","- C136 H124 Cl4 Si2 Zr2 -","2","1","","Kulyabin, Pavel S.; Sharikov, Mikhail I.; Izmer, Vyatcheslav V.; Kononovich, Dmitry S.; Goryunov, Georgy P.; Alexeev, Nikita V.; Uborsky, Dmitry V.; Vittoria, Antonio; Antinucci, Giuseppe; Ehm, Christian; Budzelaar, Peter H. M.; Cipullo, Roberta; Busico, Vincenzo; Voskoboynikov, Alexander Z.","Triptycene as a scaffold in metallocene catalyzed olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9516","9525","10.1039/d4dt01170h","","","0.71073","MoKα","","0.0729","0.043","","","0.0881","0.1016","","","","","","1.003","","","","has coordinates,has disorder","293018","2024-07-05","16:03:37",""
"7716029","12.6165","0.0005","13.2076","0.0005","17.0154","0.0006","73.469","0.002","71.998","0.001","74.327","0.002","2532.93","0.17","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C92 H122 Au2 Cl2 F12 N6 O3 P4 S6 -","- C92 H122 Au2 Cl2 F12 N6 O3 P4 S6 -","- C92 H122 Au2 Cl2 F12 N6 O3 P4 S6 -","1","0.5","","Pérez-Ramos, Paula; Mateo, María A; Elorriaga, David; García-Vivó, Daniel; Soengas, Raquel G.; Rodríguez-Solla, Humberto","Coordination of azol(in)ium dithiocarboxylate ligands to Au(III): unexpected formation of a novel family of cyclometallated Au(III) complexes, DFT calculations and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9433","9440","10.1039/d4dt01184h","","","0.71073","MoKα","","0.0243","0.022","","","0.0546","0.0558","","","","","","1.048","","","","has coordinates,has disorder","293024","2024-07-05","16:05:34",""
"7716030","16.1777","0.0002","31.2292","0.0003","11.9943","0.0001","90","","97.675","0.001","90","","6005.43","0.11","297","2","297","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C54 H74 Au Cl F6 N3 O2 P2 S3 -","- C54 H74 Au Cl F6 N3 O2 P2 S3 -","- C216 H296 Au4 Cl4 F24 N12 O8 P8 S12 -","4","1","","Pérez-Ramos, Paula; Mateo, María A; Elorriaga, David; García-Vivó, Daniel; Soengas, Raquel G.; Rodríguez-Solla, Humberto","Coordination of azol(in)ium dithiocarboxylate ligands to Au(III): unexpected formation of a novel family of cyclometallated Au(III) complexes, DFT calculations and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9433","9440","10.1039/d4dt01184h","","x-ray","1.54184","CuKα","","0.0539","0.0504","","","0.1305","0.1362","","","","","","1.045","","","","has coordinates,has disorder","293024","2024-07-05","16:05:34",""
"7716031","9.3336","0.0014","30.361","0.004","21.123","0.003","90","","98.283","0.005","90","","5923.3","1.5","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C59 H77 Au F6 N3 O P2 S3 -","- C59 H77 Au F6 N3 O P2 S3 -","- C236 H308 Au4 F24 N12 O4 P8 S12 -","4","1","","Pérez-Ramos, Paula; Mateo, María A; Elorriaga, David; García-Vivó, Daniel; Soengas, Raquel G.; Rodríguez-Solla, Humberto","Coordination of azol(in)ium dithiocarboxylate ligands to Au(III): unexpected formation of a novel family of cyclometallated Au(III) complexes, DFT calculations and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9433","9440","10.1039/d4dt01184h","","","0.71073","MoKα","","0.0372","0.033","","","0.0733","0.0749","","","","","","1.148","","","","has coordinates","293024","2024-07-05","16:05:34",""
"7716032","25.37","0.005","34.527","0.007","43.51","0.009","90","","95.26","0.03","90","","37952","13","223","2","223","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C295 H389 Cl12 Mn6 N27 O54 Si12 -","- C244 H318 Cl4 Mn6 N26 O22 Si12 -","- C976 H1272 Cl16 Mn24 N104 O88 Si48 -","4","1","","An, Seonghyeon; Han, Jihun; Kim, Dongwon; Lee, Haeri; Jung, Ok-Sang","Coordinating nature of M<sub>6</sub>L<sub>12</sub> double-stranded macrocycles: co-ligand competition of perchlorate, water, and acetonitrile depending on metal(II) ions.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9692","9699","10.1039/d4dt00902a","","","0.7","synchrotron","","0.3996","0.204","","","0.5247","0.58","","","","","","1.192","","","","has coordinates,has disorder","293130","2024-07-05","16:54:08",""
"7716033","26.225","0.005","30.532","0.006","43.614","0.009","90","","98.31","0.03","90","","34555","12","223","2","223","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C273 H358 Cl12 Co6 N30 O50 Si12 -","- C252 H329.5 Cl10.5 Co6 N30 O44 Si12 -","- C1008 H1318 Cl42 Co24 N120 O176 Si48 -","4","2","","An, Seonghyeon; Han, Jihun; Kim, Dongwon; Lee, Haeri; Jung, Ok-Sang","Coordinating nature of M<sub>6</sub>L<sub>12</sub> double-stranded macrocycles: co-ligand competition of perchlorate, water, and acetonitrile depending on metal(II) ions.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9692","9699","10.1039/d4dt00902a","","","0.8","Synchrotron","","0.1167","0.0913","","","0.2628","0.2955","","","","","","1.022","","","","has coordinates","294865","2024-09-24","08:56:35",""
"7716034","16.9088","0.0008","36.9843","0.0018","17.1187","0.0007","90","","91.477","0.002","90","","10701.8","0.8","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C108 H136 Cl4 Cu2 N8 O12 Si4 -","- C108 H136 Cl4 Cu2 N8 O12 Si4 -","- C432 H544 Cl16 Cu8 N32 O48 Si16 -","4","1","","An, Seonghyeon; Han, Jihun; Kim, Dongwon; Lee, Haeri; Jung, Ok-Sang","Coordinating nature of M<sub>6</sub>L<sub>12</sub> double-stranded macrocycles: co-ligand competition of perchlorate, water, and acetonitrile depending on metal(II) ions.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9692","9699","10.1039/d4dt00902a","","","0.71073","MoKα","","0.0814","0.062","","","0.1666","0.1833","","","","","","1.081","","","","has coordinates,has disorder","293130","2024-07-05","16:54:08",""
"7716035","35.019","0.007","45.42","0.009","46.291","0.009","90","","90","","90","","73629","3","223","2","223","2","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C566 H728 Cl24 Cu12 N56 O96 Si24 -","- C559 H720 Cl24 Cu12 N56 O96 Si24 -","- C2236 H2880 Cl96 Cu48 N224 O384 Si96 -","4","0.5","","An, Seonghyeon; Han, Jihun; Kim, Dongwon; Lee, Haeri; Jung, Ok-Sang","Coordinating nature of M<sub>6</sub>L<sub>12</sub> double-stranded macrocycles: co-ligand competition of perchlorate, water, and acetonitrile depending on metal(II) ions.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9692","9699","10.1039/d4dt00902a","","","0.7","Synchrotron","","0.1018","0.0577","","","0.1528","0.1731","","","","","","0.912","","","","has coordinates","293130","2024-07-05","16:54:08",""
"7716036","25.489","0.005","34.525","0.007","43.539","0.009","90","","95.58","0.03","90","","38133","13","223","2","223","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C281 H373 Cl12 N27 O54 Si12 Zn6 -","- C244 H318 Cl12 N26 O54 Si12 Zn6 -","- C976 H1272 Cl48 N104 O216 Si48 Zn24 -","4","1","","An, Seonghyeon; Han, Jihun; Kim, Dongwon; Lee, Haeri; Jung, Ok-Sang","Coordinating nature of M<sub>6</sub>L<sub>12</sub> double-stranded macrocycles: co-ligand competition of perchlorate, water, and acetonitrile depending on metal(II) ions.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9692","9699","10.1039/d4dt00902a","","","0.8","synchrotron","","0.2589","0.191","","","0.5241","0.5596","","","","","","1.824","","","","has coordinates,has disorder","293130","2024-07-05","16:54:08",""
"7716037","17.852","0.005","18.543","0.004","16.781","0.005","90","","116.8","0.02","90","","4958","2","296","2","296","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C22 H30 Cl2 N4 O Ru S -","- C22 H30 Cl2 N4 O Ru S -","- C176 H240 Cl16 N32 O8 Ru8 S8 -","8","1","","Kılınçarslan, Rafet; Tuncer, Hayriye; Özdemir, Namık; Çetinkaya, Bekir","Vitamin B1-based thiazol-2-ylidene-Ru(II) complexes: recyclable transfer hydrogenation catalysts in water.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","9192","9197","10.1039/d4dt00445k","","","0.71073","MoKα","","0.0718","0.033","","","0.0598","0.0664","","","","","","0.845","","","","has coordinates,has disorder","293149","2024-07-05","17:00:27",""
"7716038","11.4006","0.0015","18.081","0.002","15.713","0.002","90","","98.41","0.004","90","","3204.2","0.7","296","2","296","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 Cl F6 N7 O P Ru S -","- C27 H31 Cl F6 N7 O P Ru S -","- C108 H124 Cl4 F24 N28 O4 P4 Ru4 S4 -","4","1","","Kılınçarslan, Rafet; Tuncer, Hayriye; Özdemir, Namık; Çetinkaya, Bekir","Vitamin B1-based thiazol-2-ylidene-Ru(II) complexes: recyclable transfer hydrogenation catalysts in water.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","9192","9197","10.1039/d4dt00445k","","","0.71073","MoKα","","0.0657","0.0549","","","0.1276","0.1334","","","","","","1.177","","","","has coordinates","293149","2024-07-05","17:00:27",""
"7716039","12.0376","0.0007","7.4582","0.0004","14.0803","0.0006","90","","90.605","0.002","90","","1264.04","0.11","150","2","150","2","","","","","","","synthesis as described","2","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 -","- C34 H28 -","- C68 H56 -","2","0.5","","Romero, Nuria; Chavagnan, Thierry; Roisnel, Thierry; Welle, Alexandre; Kirillov, Evgueni; Carpentier, Jean-François","Dinuclear group IV metal complexes based on a bis(indenyl)-(<i>E</i>/<i>Z</i>)-stilbene platform: a potential prototype of ""photoswitchable"" catalysts for olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9452","9466","10.1039/d4dt00498a","","x-ray","0.71073","MoKα","","0.0594","0.0488","","","0.1266","0.1335","","","","","","1.043","","","","has coordinates","293017","2024-07-05","16:03:29",""
"7716040","9.459","0.0008","9.7392","0.0007","13.9219","0.0011","107.331","0.002","100.8","0.003","91.401","0.002","1198.2","0.16","150","2","150","2","","","","","","","synthesis as described","2","P -1","-P 1","2","","","","- C34 H28 -","- C34 H28 -","- C68 H56 -","2","1","","Romero, Nuria; Chavagnan, Thierry; Roisnel, Thierry; Welle, Alexandre; Kirillov, Evgueni; Carpentier, Jean-François","Dinuclear group IV metal complexes based on a bis(indenyl)-(<i>E</i>/<i>Z</i>)-stilbene platform: a potential prototype of ""photoswitchable"" catalysts for olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9452","9466","10.1039/d4dt00498a","","x-ray","0.71073","MoKα","","0.063","0.0475","","","0.1163","0.1275","","","","","","1.031","","","","has coordinates","293017","2024-07-05","16:03:29",""
"7716041","13.8322","0.0007","11.7938","0.0006","15.1516","0.0007","90","","90","","90","","2471.7","0.2","295","2","295","2","","","","","","","synthesis as described","3","P b c n","-P 2n 2ab","60","","","","- C14 H10 Br2 -","- C14 H10 Br2 -","- C112 H80 Br16 -","8","1","","Romero, Nuria; Chavagnan, Thierry; Roisnel, Thierry; Welle, Alexandre; Kirillov, Evgueni; Carpentier, Jean-François","Dinuclear group IV metal complexes based on a bis(indenyl)-(<i>E</i>/<i>Z</i>)-stilbene platform: a potential prototype of ""photoswitchable"" catalysts for olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9452","9466","10.1039/d4dt00498a","","x-ray","0.71073","MoKα","","0.0998","0.0445","","","0.085","0.101","","","","","","0.999","","","","has coordinates","293017","2024-07-05","16:03:29",""
"7716042","15.6067","0.0017","14.7909","0.0018","11.1941","0.0015","90","","108.258","0.005","90","","2453.9","0.5","150","2","150","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Br2 -","- C14 H10 Br2 -","- C112 H80 Br16 -","8","2","","Romero, Nuria; Chavagnan, Thierry; Roisnel, Thierry; Welle, Alexandre; Kirillov, Evgueni; Carpentier, Jean-François","Dinuclear group IV metal complexes based on a bis(indenyl)-(<i>E</i>/<i>Z</i>)-stilbene platform: a potential prototype of ""photoswitchable"" catalysts for olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9452","9466","10.1039/d4dt00498a","","x-ray","0.71073","MoKα","","0.051","0.0343","","","0.0744","0.081","","","","","","1.018","","","","has coordinates","293017","2024-07-05","16:03:29",""
"7716043","8.014","0.0007","9.081","0.0009","17.209","0.0016","80.724","0.003","78.474","0.003","64.123","0.003","1100.2","0.18","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C46 H62 N6 Zr2 -","- C46 H62 N6 Zr2 -","- C46 H62 N6 Zr2 -","1","0.5","","Romero, Nuria; Chavagnan, Thierry; Roisnel, Thierry; Welle, Alexandre; Kirillov, Evgueni; Carpentier, Jean-François","Dinuclear group IV metal complexes based on a bis(indenyl)-(<i>E</i>/<i>Z</i>)-stilbene platform: a potential prototype of ""photoswitchable"" catalysts for olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9452","9466","10.1039/d4dt00498a","","x-ray","0.71073","MoKα","","0.0242","0.0221","","","0.0558","0.0567","","","","","","1.123","","","","has coordinates","293017","2024-07-05","16:03:29",""
"7716044","9.7654","0.0017","3.9608","0.0007","15.486","0.002","90","","93.132","0.006","90","","598.09","0.17","150","2","150","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Br2 -","- C14 H10 Br2 -","- C28 H20 Br4 -","2","0.5","","Romero, Nuria; Chavagnan, Thierry; Roisnel, Thierry; Welle, Alexandre; Kirillov, Evgueni; Carpentier, Jean-François","Dinuclear group IV metal complexes based on a bis(indenyl)-(<i>E</i>/<i>Z</i>)-stilbene platform: a potential prototype of ""photoswitchable"" catalysts for olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9452","9466","10.1039/d4dt00498a","","x-ray","0.71073","MoKα","","0.0571","0.0519","","","0.1401","0.1452","","","","","","1.081","","","","has coordinates","293017","2024-07-05","16:03:29",""
"7716045","9.0237","0.0012","13.1611","0.0014","39.397","0.004","90","","92.514","0.003","90","","4674.4","0.9","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H56 Cl4 Zr2 -","- C54 H56 Cl4 Zr2 -","- C216 H224 Cl16 Zr8 -","4","1","","Romero, Nuria; Chavagnan, Thierry; Roisnel, Thierry; Welle, Alexandre; Kirillov, Evgueni; Carpentier, Jean-François","Dinuclear group IV metal complexes based on a bis(indenyl)-(<i>E</i>/<i>Z</i>)-stilbene platform: a potential prototype of ""photoswitchable"" catalysts for olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9452","9466","10.1039/d4dt00498a","","x-ray","0.71073","MoKα","","0.1154","0.1098","","","0.2868","0.2907","","","","","","1.081","","","","has coordinates","293017","2024-07-05","16:03:29",""
"7716046","15.2349","0.0011","16.0237","0.0011","16.3054","0.0012","118.098","0.002","103.06","0.003","90.216","0.002","3392.3","0.4","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C75 H80 Cl4 Zr2 -","- C75 H80 Cl4 Zr2 -","- C150 H160 Cl8 Zr4 -","2","1","","Romero, Nuria; Chavagnan, Thierry; Roisnel, Thierry; Welle, Alexandre; Kirillov, Evgueni; Carpentier, Jean-François","Dinuclear group IV metal complexes based on a bis(indenyl)-(<i>E</i>/<i>Z</i>)-stilbene platform: a potential prototype of ""photoswitchable"" catalysts for olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9452","9466","10.1039/d4dt00498a","","x-ray","0.71073","MoKα","","0.0688","0.0521","","","0.1356","0.1492","","","","","","1.052","","","","has coordinates","293017","2024-07-05","16:03:29",""
"7716047","7.4545","0.0009","10.2906","0.0012","11.2348","0.0013","79.217","0.004","84.616","0.004","74.004","0.004","813.02","0.17","150","","150","","","","","","","","see text","5","P -1","-P 1","2","","","","- C17 H20 N2 O3 Pt -","- C17 H20 N2 O3 Pt -","- C34 H40 N4 O6 Pt2 -","2","1","","Benin, Alice; Kollar, Joshua Immanuel; Riesebeck, Tim; Wurl, Felix; Graiff, Claudia; Strassner, Thomas; Tubaro, Cristina","Synthesis and characterization of Pt(II) and Au(I) complexes with <i>N</i>-oxy-heterocyclic carbene ligands (NOHCs).","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9323","9329","10.1039/d4dt00996g","","x-ray","0.71073","MoKα","","0.0279","0.0274","","","0.0648","0.0651","","","","","","1.206","","","","has coordinates","293022","2024-07-05","16:04:35",""
"7716048","11.184","0.003","14.559","0.005","11.536","0.004","90","","105.929","0.014","90","","1806.3","1","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Au Br N2 O -","- C18 H18 Au Br N2 O -","- C72 H72 Au4 Br4 N8 O4 -","4","1","","Benin, Alice; Kollar, Joshua Immanuel; Riesebeck, Tim; Wurl, Felix; Graiff, Claudia; Strassner, Thomas; Tubaro, Cristina","Synthesis and characterization of Pt(II) and Au(I) complexes with <i>N</i>-oxy-heterocyclic carbene ligands (NOHCs).","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9323","9329","10.1039/d4dt00996g","","","0.71073","MoKα","","0.0382","0.0324","","","0.0918","0.0961","","","","","","1.058","","","","has coordinates","293022","2024-07-05","16:04:41",""
"7716049","7.0873","0.0004","15.5352","0.001","15.6123","0.001","73.911","0.002","87.614","0.002","87.428","0.002","1649.2","0.18","150","","150","","","","","","","","see text","5","P -1","-P 1","2","","","","- C39 H40 N2 O3 Pt -","- C39 H40 N2 O3 Pt -","- C78 H80 N4 O6 Pt2 -","2","1","","Benin, Alice; Kollar, Joshua Immanuel; Riesebeck, Tim; Wurl, Felix; Graiff, Claudia; Strassner, Thomas; Tubaro, Cristina","Synthesis and characterization of Pt(II) and Au(I) complexes with <i>N</i>-oxy-heterocyclic carbene ligands (NOHCs).","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9323","9329","10.1039/d4dt00996g","","x-ray","0.71073","MoKα","","0.0156","0.0147","","","0.041","0.0417","","","","","","1.145","","","","has coordinates","293022","2024-07-05","16:04:41",""
"7716050","10.4626","0.0003","12.2766","0.0004","12.4511","0.0005","64.844","0.004","65.315","0.003","66.761","0.003","1268.69","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H26 N2 O4 Sn -","- C29 H26 N2 O4 Sn -","- C58 H52 N4 O8 Sn2 -","2","1","","Kumar, Manish; Nayek, Hari Pada","Syntheses and exploration of the catalytic activities of organotin(IV) compounds.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9827","9837","10.1039/d4dt00646a","","x-ray","0.71073","MoKα","","0.0373","0.0302","","","0.0728","0.0749","","","","","","1.047","","","","has coordinates","293139","2024-07-05","16:57:12",""
"7716051","11.8788","0.0005","13.7443","0.0003","18.5417","0.0004","70.101","0.002","81.539","0.002","76.408","0.003","2759.29","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H36 N2 O5 Sn -","- C26 H36 N2 O5 Sn -","- C104 H144 N8 O20 Sn4 -","4","2","","Kumar, Manish; Nayek, Hari Pada","Syntheses and exploration of the catalytic activities of organotin(IV) compounds.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9827","9837","10.1039/d4dt00646a","","","0.71073","MoKα","","0.063","0.0458","","","0.1096","0.1158","","","","","","1.056","","","","has coordinates,has disorder","293139","2024-07-05","16:57:12",""
"7716052","10.3748","0.0007","10.756","0.0006","13.2715","0.0006","90.075","0.004","110.462","0.005","111.715","0.006","1274.47","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H34 N2 O4 Sn -","- C25 H34 N2 O4 Sn -","- C50 H68 N4 O8 Sn2 -","2","1","","Kumar, Manish; Nayek, Hari Pada","Syntheses and exploration of the catalytic activities of organotin(IV) compounds.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9827","9837","10.1039/d4dt00646a","","","0.71073","MoKα","","0.0707","0.0392","","","0.0668","0.0727","","","","","","0.8868","","","","has coordinates,has disorder","293139","2024-07-05","16:57:12",""
"7716053","10.7364","0.0003","12.0005","0.0003","12.1066","0.0003","90.921","0.002","97.576","0.002","112.023","0.002","1429.75","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H32 N2 O6 Sn -","- C31 H32 N2 O6 Sn -","- C62 H64 N4 O12 Sn2 -","2","1","","Kumar, Manish; Nayek, Hari Pada","Syntheses and exploration of the catalytic activities of organotin(IV) compounds.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9827","9837","10.1039/d4dt00646a","","","0.71073","MoKα","","0.0318","0.0275","","","0.0653","0.0667","","","","","","1.0524","","","","has coordinates","293139","2024-07-05","16:57:12",""
"7716054","11.6108","0.0004","13.7661","0.0004","17.6211","0.0005","79.327","0.002","81.161","0.003","77.032","0.003","2678.62","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H34 N2 O4 Sn -","- C25 H34 N2 O4 Sn -","- C100 H136 N8 O16 Sn4 -","4","2","","Kumar, Manish; Nayek, Hari Pada","Syntheses and exploration of the catalytic activities of organotin(IV) compounds.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9827","9837","10.1039/d4dt00646a","","","0.71073","MoKα","","0.0623","0.0382","","","0.0708","0.0779","","","","","","0.964","","","","has coordinates,has disorder","293139","2024-07-05","16:57:12",""
"7716055","10.3278","0.0006","15.8695","0.0008","17.94","0.0012","112.274","0.005","93.904","0.005","96.094","0.004","2686.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H36 N2 O5 Sn -","- C26 H36 N2 O5 Sn -","- C104 H144 N8 O20 Sn4 -","4","2","","Kumar, Manish; Nayek, Hari Pada","Syntheses and exploration of the catalytic activities of organotin(IV) compounds.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9827","9837","10.1039/d4dt00646a","","","0.71073","MoKα","","0.086","0.0585","","","0.1573","0.1733","","","","","","1.039","","","","has coordinates,has disorder","295677","2024-10-30","18:34:33",""
"7716056","10.6878","0.0011","5.2551","0.0004","11.5527","0.0012","90","","92.154","0.004","90","","648.4","0.11","299","","299","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B6 Cd4 O15 Sr2 -","- B6 Cd4 O15 Sr2 -","- B12 Cd8 O30 Sr4 -","2","0.5","","Chen, Meihui; Wei, Wei; Zhao, Jiawei; An, Donghai; Chen, Yanna","Discovery of a new bimetallic borate with strong optical anisotropy activated by π-conjugated [B<sub>2</sub>O<sub>5</sub>] units.","Dalton transactions (Cambridge, England : 2003)","2024","53","21","8898","8904","10.1039/d4dt01130a","","","0.71073","MoKα","","0.0591","0.0504","","","0.0963","0.1011","","","","","","1.074","","","","has coordinates","293153","2024-07-05","17:01:08",""
"7716057","11.8617","0.0012","16.4055","0.0015","23.32","0.002","90","","102.18","0.01","90","","4435.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Co8 Cs4 Ge2 O93 W18 -","- Co8 Cs4 Ge2 O93 W18 -","- Co16 Cs8 Ge4 O186 W36 -","2","0.5","","Wang, Zhen-Wen; Chen, Chong-An; Yang, Guo-Yu","A sandwiched Co<sub>4</sub>-added polyoxometalate for efficient visible light-driven hydrogen evolution.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9812","9818","10.1039/d4dt00885e","","","0.71073","MoKα","","0.1015","0.06","","","0.115","0.1378","","","","","","1.035","","","","has coordinates","293137","2024-07-05","16:56:39",""
"7716058","12.7414","0.0005","13.0651","0.0005","20.4611","0.0009","82.874","0.002","74.52","0.002","88.91","0.002","3256.8","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- Dy Na9 O71 W10 -","- Dy Na9 O71 W10 -","- Dy2 Na18 O142 W20 -","2","1","","Subintoro, Primadi J.; Carter, Korey P.","Structural and vibrational properties of lanthanide Lindqvist polyoxometalate complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9526","9539","10.1039/d4dt00786g","","x-ray","0.71073","MoKα","","0.0343","0.0267","","","0.0548","0.0585","","","","","","1.021","","","","has coordinates","293026","2024-07-05","16:06:10",""
"7716059","12.8331","0.0006","12.966","0.0006","20.1117","0.001","101.615","0.002","98.179","0.002","101.864","0.002","3148.5","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- Ce Na9 O64 W10 -","- Ce Na9 O64 W10 -","- Ce2 Na18 O128 W20 -","2","1","","Subintoro, Primadi J.; Carter, Korey P.","Structural and vibrational properties of lanthanide Lindqvist polyoxometalate complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9526","9539","10.1039/d4dt00786g","","","0.71073","MoKα","","0.0578","0.0489","","","0.1193","0.1264","","","","","","1.075","","","","has coordinates,has disorder","293026","2024-07-05","16:06:20",""
"7716060","12.9037","0.0005","13.1129","0.0005","20.8991","0.0007","77.072","0.001","83.923","0.002","77.463","0.002","3358.3","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- Eu Na9 O72 W10 -","- Eu Na9 O71.9967 W10 -","- Eu2 Na18 O143.993 W20 -","2","1","","Subintoro, Primadi J.; Carter, Korey P.","Structural and vibrational properties of lanthanide Lindqvist polyoxometalate complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9526","9539","10.1039/d4dt00786g","","","0.71073","MoKα","","0.0478","0.0426","","","0.0968","0.1012","","","","","","1.1","","","","has coordinates,has disorder","293026","2024-07-05","16:06:20",""
"7716061","12.8137","0.0006","12.9517","0.0007","20.0978","0.0012","101.581","0.002","98.253","0.002","101.755","0.002","3139.3","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- Na9 O65.15 Pr W10 -","- Na9 O65.15 Pr W10 -","- Na18 O130.3 Pr2 W20 -","2","1","","Subintoro, Primadi J.; Carter, Korey P.","Structural and vibrational properties of lanthanide Lindqvist polyoxometalate complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9526","9539","10.1039/d4dt00786g","","x-ray","0.71073","MoKα","","0.0646","0.0452","","","0.1063","0.1181","","","","","","1.115","","","","has coordinates,has disorder","293026","2024-07-05","16:06:20",""
"7716062","12.9063","0.0017","13.1156","0.0015","20.911","0.003","76.931","0.005","83.975","0.005","77.418","0.005","3359.4","0.8","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- Na9 O72 Sm W10 -","- Na9 O72 Sm W10 -","- Na18 O144 Sm2 W20 -","2","1","","Subintoro, Primadi J.; Carter, Korey P.","Structural and vibrational properties of lanthanide Lindqvist polyoxometalate complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9526","9539","10.1039/d4dt00786g","","","0.71073","MoKα","","0.0391","0.0361","","","0.0847","0.0865","","","","","","1.121","","","","has coordinates,has disorder","293026","2024-07-05","16:06:20",""
"7716063","12.8985","0.0005","13.1035","0.0003","20.918","0.0008","77.025","0.001","83.922","0.001","77.519","0.001","3357.7","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- Gd Na9 O72 W10 -","- Gd Na9 O72 W10 -","- Gd2 Na18 O144 W20 -","2","1","","Subintoro, Primadi J.; Carter, Korey P.","Structural and vibrational properties of lanthanide Lindqvist polyoxometalate complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9526","9539","10.1039/d4dt00786g","","","0.71073","MoKα","","0.0473","0.0412","","","0.0853","0.0882","","","","","","1.148","","","","has coordinates,has disorder","293026","2024-07-05","16:06:20",""
"7716064","12.7343","0.0009","13.0518","0.0008","20.4813","0.0015","82.805","0.003","74.496","0.003","88.75","0.003","3254.2","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- Er Na9 O72 W10 -","- Er Na9 O72 W10 -","- Er2 Na18 O144 W20 -","2","1","","Subintoro, Primadi J.; Carter, Korey P.","Structural and vibrational properties of lanthanide Lindqvist polyoxometalate complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9526","9539","10.1039/d4dt00786g","","","0.71073","MoKα","","0.0862","0.0758","","","0.1552","0.16","","","","","","1.23","","","","has coordinates,has disorder","293026","2024-07-05","16:06:20",""
"7716065","12.8752","0.0009","13.0761","0.0009","20.8761","0.0012","77.097","0.002","83.853","0.002","77.351","0.003","3336.5","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- Na9 O71 Tm W10 -","- Na9 O70.9999 Tm W10 -","- Na18 O142 Tm2 W20 -","2","1","","Subintoro, Primadi J.; Carter, Korey P.","Structural and vibrational properties of lanthanide Lindqvist polyoxometalate complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9526","9539","10.1039/d4dt00786g","","x-ray","0.71073","MoKα","","0.0417","0.0359","","","0.0821","0.0848","","","","","","1.105","","","","has coordinates,has disorder","293026","2024-07-05","16:06:20",""
"7716066","12.8892","0.0013","12.9526","0.0012","20.1296","0.0019","102.062","0.004","97.834","0.004","101.546","0.004","3163.8","0.5","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- La Na9 O70 W10 -","- La Na9 O70 W10 -","- La2 Na18 O140 W20 -","2","1","","Subintoro, Primadi J.; Carter, Korey P.","Structural and vibrational properties of lanthanide Lindqvist polyoxometalate complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9526","9539","10.1039/d4dt00786g","","","0.71073","MoKα","","0.0532","0.0512","","","0.1191","0.1202","","","","","","1.2","","","","has coordinates,has disorder","293026","2024-07-05","16:06:20",""
"7716067","12.7722","0.0005","13.0343","0.0006","19.6802","0.0008","98.16","0.002","102.82","0.002","101.538","0.002","3070","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- Na9 Nd O67.5 W10 -","- Na9 Nd O67.5 W10 -","- Na18 Nd2 O135 W20 -","2","1","","Subintoro, Primadi J.; Carter, Korey P.","Structural and vibrational properties of lanthanide Lindqvist polyoxometalate complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9526","9539","10.1039/d4dt00786g","","x-ray","0.71073","MoKα","","0.0439","0.0339","","","0.0816","0.0899","","","","","","1.041","","","","has coordinates,has disorder","293026","2024-07-05","16:06:20",""
"7716068","12.7347","0.0007","13.0458","0.0007","20.4697","0.0012","82.887","0.002","74.479","0.002","88.659","0.002","3251.3","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- Lu Na9 O71 W10 -","- Lu Na9 O71 W10 -","- Lu2 Na18 O142 W20 -","2","1","","Subintoro, Primadi J.; Carter, Korey P.","Structural and vibrational properties of lanthanide Lindqvist polyoxometalate complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9526","9539","10.1039/d4dt00786g","","","0.71073","MoKα","","0.0418","0.036","","","0.0767","0.08","","","","","","1.1","","","","has coordinates","293026","2024-07-05","16:06:20",""
"7716069","12.8747","0.0006","13.0649","0.0006","20.9095","0.0009","77.19","0.002","83.86","0.002","77.461","0.002","3341.4","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- Na9 O73.05 W10 Yb -","- Na9 O73.05 W10 Yb -","- Na18 O146.1 W20 Yb2 -","2","1","","Subintoro, Primadi J.; Carter, Korey P.","Structural and vibrational properties of lanthanide Lindqvist polyoxometalate complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9526","9539","10.1039/d4dt00786g","","x-ray","0.71073","MoKα","","0.0426","0.0315","","","0.0703","0.0745","","","","","","1.135","","","","has coordinates,has disorder","293026","2024-07-05","16:06:20",""
"7716070","12.8721","0.0006","13.0881","0.0007","20.8876","0.0011","77.102","0.002","83.865","0.002","77.384","0.002","3341.1","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- Na9 O73 Tb W10 -","- Na9 O73 Tb W10 -","- Na18 O146 Tb2 W20 -","2","1","","Subintoro, Primadi J.; Carter, Korey P.","Structural and vibrational properties of lanthanide Lindqvist polyoxometalate complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9526","9539","10.1039/d4dt00786g","","","0.71073","MoKα","","0.0557","0.0471","","","0.1094","0.1143","","","","","","1.129","","","","has coordinates,has disorder","293026","2024-07-05","16:06:20",""
"7716071","12.727","0.003","13.063","0.005","20.465","0.007","82.848","0.007","74.548","0.008","88.878","0.011","3253.5","1.8","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- Ho Na9 O71 W10 -","- Ho Na9 O71 W10 -","- Ho2 Na18 O142 W20 -","2","1","","Subintoro, Primadi J.; Carter, Korey P.","Structural and vibrational properties of lanthanide Lindqvist polyoxometalate complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9526","9539","10.1039/d4dt00786g","","x-ray","0.71073","MoKα","","0.0358","0.0326","","","0.0747","0.0764","","","","","","1.111","","","","has coordinates","293026","2024-07-05","16:06:20",""
"7716072","9.3405","0.0009","9.3839","0.0007","21.029","0.002","90","","90.745","0.002","90","","1843","0.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 Cl4 N4 Ti2 -","- C38 H40 Cl4 N4 Ti2 -","- C76 H80 Cl8 N8 Ti4 -","2","0.5","","Cheng, Yukun; Huh, Daniel N.; Tonks, Ian A.","Mechanistic study of pyrazole synthesis <i>via</i> oxidation-induced N-N coupling of diazatitanacycles.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9510","9515","10.1039/d4dt01412j","","","0.71073","MoKα","","0.043","0.0375","","","0.0838","0.0863","","","","","","1.13","","","","has coordinates","293030","2024-07-05","16:08:10",""
"7716073","7.41679","0.00004","7.41679","0.00004","7.41679","0.00004","90","","90","","90","","407.989","0.004","298","","298","","","","","","","","","4","I m -3","-I 2 2 3","204","","","A-position ordered perovskite","- Cr Mn6 O12 Pb -","- Cr Mn6 O12 Pb -","- Cr2 Mn12 O24 Pb2 -","2","0.0416667","","Xue, Man; Yan, Xiaohui; Xu, Deyang; Zheng, Bin; Guo, Wenbin; Kuang, Xiaojun; Lei, Xiuyun; Yin, Congling","High-pressure synthesis of A-site ordered perovskite PbMn<sub>3</sub>(CrMn<sub>3</sub>)O<sub>12</sub> with long-range antiferromagnetic ordering and a spin glass transition.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9819","9826","10.1039/d4dt01357c","","","1.5418","","","","","","","","","","","","","","","","","","has coordinates","293135","2024-07-05","16:56:06",""
"7716074","15.7537","0.0006","13.549","0.0005","17.3153","0.0007","90","","110.366","0.005","90","","3464.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H44 N4 O8 Rh2 -","- C22 H36 N4 O8 Rh2 -","- C88 H144 N16 O32 Rh8 -","4","1","","Mitrović, Marina; Djukić, Maja B; Vukić, Milena; Nikolić, Ivana; Radovanović, Marko D; Luković, Jovan; Filipović, Ignjat P; Matić, Sanja; Marković, Tijana; Klisurić, Olivera R; Popović, Suzana; Matović, Zoran D; Ristić, Marija S","Search for new biologically active compounds: <i>in vitro</i> studies of antitumor and antimicrobial activity of dirhodium(II,II) paddlewheel complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9330","9349","10.1039/d4dt01082e","","","0.71073","MoKα","","0.0898","0.0629","","","0.1502","0.1645","","","","","","1.065","","","","has coordinates","293025","2024-07-05","16:05:41",""
"7716075","8.7629","0.0018","9.7379","0.0016","10.6366","0.0019","90","","92.593","0.009","90","","906.7","0.3","273.15","","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1","","- K2 Mg Mo O10 P2 -","- K2 Mg Mo O10 P2 -","- K8 Mg4 Mo4 O40 P8 -","4","1","","Gao, Zhixia; Feng, Qiuyuan; Lu, Juanjuan; Du, Hong","K<sub>2</sub>MgMoP<sub>2</sub>O<sub>10</sub> and K<sub>3</sub>Mg<sub>2</sub>MoP<sub>3</sub>O<sub>14</sub>: two new molybdophosphates exhibiting different optical anisotropies induced by variable dimensionality of the anion framework.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10686","10692","10.1039/d4dt01026d","","","0.71073","MoKα","","0.0477","0.0327","","","0.062","0.0671","","","","","","1.029","","","","has coordinates","293077","2024-07-05","16:31:17",""
"7716076","16.4088","0.001","15.8303","0.001","5.4483","0.0005","90","","90","","90","","1415.23","0.18","273.15","","273.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- K3 Mg2 Mo O14 P3 -","- K3 Mg2 Mo O14 P3 -","- K12 Mg8 Mo4 O56 P12 -","4","0.5","","Gao, Zhixia; Feng, Qiuyuan; Lu, Juanjuan; Du, Hong","K<sub>2</sub>MgMoP<sub>2</sub>O<sub>10</sub> and K<sub>3</sub>Mg<sub>2</sub>MoP<sub>3</sub>O<sub>14</sub>: two new molybdophosphates exhibiting different optical anisotropies induced by variable dimensionality of the anion framework.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10686","10692","10.1039/d4dt01026d","","","0.71073","MoKα","","0.0711","0.0466","","","0.1049","0.1156","","","","","","1.079","","","","has coordinates","293077","2024-07-05","16:31:17",""
"7716077","22.39","0.006","11.81","0.004","20.204","0.005","90","","134.046","0.019","90","","3840","2","293","2","293.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H19.2 Cl3.8 Cu2 N O6 -","- C11 H19.2 Cl3.8 Cu2 N O6 -","- C88 H153.6 Cl30.4 Cu16 N8 O48 -","8","1","","Biswas, Sneha; Karim, Suhana; Bhunia, Pradip; Banerjee, Soumadip; Das, Abhijit K.; Das, Debasis","UV-assisted photochemical transformation of a tetranuclear copper(II) complex: a DFT supported study on β-lactamase inhibitory activity towards antibiotic resistance.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9979","9994","10.1039/d4dt00357h","","","0.71073","MoKα","","0.1231","0.0525","","","0.1196","0.147","","","","","","0.982","","","","has coordinates,has disorder","293126","2024-07-05","16:50:02",""
"7716078","15.885","0.006","19.154","0.007","25.451","0.009","90","","106.036","0.016","90","","7442","5","171","2","171","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H86 Cl4 Cu4 N8 O33 -","- C56 H86 Cl4 Cu4 N8 O33 -","- C224 H344 Cl16 Cu16 N32 O132 -","4","1","","Biswas, Sneha; Karim, Suhana; Bhunia, Pradip; Banerjee, Soumadip; Das, Abhijit K.; Das, Debasis","UV-assisted photochemical transformation of a tetranuclear copper(II) complex: a DFT supported study on β-lactamase inhibitory activity towards antibiotic resistance.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9979","9994","10.1039/d4dt00357h","","","1.54178","CuKα","","0.0845","0.0776","","","0.2013","0.2061","","","","","","1.053","","","","has coordinates","293126","2024-07-05","16:50:03",""
"7716079","31.635","0.002","12.2783","0.0007","22.9447","0.0014","90","","125.349","0.002","90","","7269.2","0.8","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C33 H36.5 B F7 N9.5 O2 P Y -","- C33 H36.5 B F7 N9.5 O2 P Y -","- C264 H292 B8 F56 N76 O16 P8 Y8 -","8","1","","Thomas, Jarrod R.; Giansiracusa, Marcus J.; Sulway, Scott A.","Approaching the 1000 K energy barrier in high coordinate lanthanide single-ion magnets: Increasing <i>U</i><sub>eff</sub> in the [Dy(Tp<sup>2-py</sup>)F]<sup>+</sup> moiety with tetrahydrofuran.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9252","9256","10.1039/d4dt01194e","","x-ray","0.71073","MoKα","","0.0464","0.036","","","0.0837","0.0879","","","","","","1.111","","","","has coordinates,has disorder","293027","2024-07-05","16:06:33",""
"7716080","31.5818","0.0013","12.2694","0.0005","22.8942","0.0009","90","","125.283","0.001","90","","7241.7","0.5","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C32 H35 B Dy F7 N9 O2 P -","- C32 H35 B Dy F7 N9 O2 P -","- C256 H280 B8 Dy8 F56 N72 O16 P8 -","8","1","","Thomas, Jarrod R.; Giansiracusa, Marcus J.; Sulway, Scott A.","Approaching the 1000 K energy barrier in high coordinate lanthanide single-ion magnets: Increasing <i>U</i><sub>eff</sub> in the [Dy(Tp<sup>2-py</sup>)F]<sup>+</sup> moiety with tetrahydrofuran.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9252","9256","10.1039/d4dt01194e","","","0.71073","MoKα","","0.0459","0.0354","","","0.0742","0.0827","","","","","","1.112","","","","has coordinates","293027","2024-07-05","16:06:34",""
"7716081","11.494","0.0006","11.7996","0.0007","12.1256","0.0007","70.583","0.002","64.862","0.002","67.714","0.002","1348.44","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H62 Cl4 Co2 N12 O16 -","- C44 H62 Cl4 Co2 N12 O16 -","- C44 H62 Cl4 Co2 N12 O16 -","1","0.5","","Depenbrock, Felix; Limpke, Thomas; Stammler, Anja; Oldengott, Jan; Bögge, Hartmut; Glaser, Thorsten","Increasing the electron donation in a dinucleating ligand family: molecular and electronic structures in a series of Co<sup>II</sup>Co<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9554","9567","10.1039/d4dt00877d","","x-ray","1.54178","CuKα","","0.0282","0.0278","","","0.0723","0.0725","","","","","","1.047","","","","has coordinates","293028","2024-07-05","16:07:09",""
"7716082","10.0649","0.0002","32.2086","0.0005","13.798","0.0002","90","","110.892","0.001","90","","4178.91","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H56 Cl2 Co2 N8 O11 -","- C37 H56 Cl2 Co2 N8 O11 -","- C148 H224 Cl8 Co8 N32 O44 -","4","1","","Depenbrock, Felix; Limpke, Thomas; Stammler, Anja; Oldengott, Jan; Bögge, Hartmut; Glaser, Thorsten","Increasing the electron donation in a dinucleating ligand family: molecular and electronic structures in a series of Co<sup>II</sup>Co<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9554","9567","10.1039/d4dt00877d","","x-ray","1.54178","CuKα","","0.0489","0.0401","","","0.0977","0.1023","","","","","","1.036","","","","has coordinates","293028","2024-07-05","16:07:10",""
"7716083","11.73","0.003","17.852","0.004","13.124","0.004","90","","112.367","0.015","90","","2541.5","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H58 Cl4 Co2 N16 O16 -","- C36 H58 Cl4 Co2 N16 O16 -","- C72 H116 Cl8 Co4 N32 O32 -","2","0.5","","Depenbrock, Felix; Limpke, Thomas; Stammler, Anja; Oldengott, Jan; Bögge, Hartmut; Glaser, Thorsten","Increasing the electron donation in a dinucleating ligand family: molecular and electronic structures in a series of Co<sup>II</sup>Co<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9554","9567","10.1039/d4dt00877d","","","0.71073","MoKα","","0.0661","0.0393","","","0.0799","0.0904","","","","","","1.007","","","","has coordinates","293028","2024-07-05","16:07:20",""
"7716084","12.505","0.002","12.785","0.0019","24.509","0.004","90","","90","","90","","3918.4","1.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H46 Cl4 Co2 N12 O8 -","- C28 H46 Cl4 Co2 N12 O8 -","- C112 H184 Cl16 Co8 N48 O32 -","4","1","","Depenbrock, Felix; Limpke, Thomas; Stammler, Anja; Oldengott, Jan; Bögge, Hartmut; Glaser, Thorsten","Increasing the electron donation in a dinucleating ligand family: molecular and electronic structures in a series of Co<sup>II</sup>Co<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9554","9567","10.1039/d4dt00877d","","x-ray","0.71073","MoKα","","0.0392","0.033","","","0.0791","0.0822","","","","","","1.027","","","","has coordinates,has disorder","293028","2024-07-05","16:07:21",""
"7716085","34.657","0.0013","14.4542","0.0009","24.3699","0.0013","90","","105.239","0.001","90","","11778.6","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47 H78 Cl4 Co2 N8 O15 -","- C44 H66 Cl4 Co2 N8 O12 -","- C352 H528 Cl32 Co16 N64 O96 -","8","1","","Depenbrock, Felix; Limpke, Thomas; Stammler, Anja; Oldengott, Jan; Bögge, Hartmut; Glaser, Thorsten","Increasing the electron donation in a dinucleating ligand family: molecular and electronic structures in a series of Co<sup>II</sup>Co<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9554","9567","10.1039/d4dt00877d","","x-ray","0.71073","MoKα","","0.0602","0.0378","","","0.0862","0.0953","","","","","","1.031","","","","has coordinates,has disorder","293028","2024-07-05","16:07:30",""
"7716086","34.7597","0.0014","14.4732","0.0006","24.5591","0.0008","90","","106.47","0.001","90","","11848.3","0.8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C47 H78 Br2 Cl2 Co2 N8 O15 -","- C44 H66 Br2 Cl2 Co2 N8 O12 -","- C352 H528 Br16 Cl16 Co16 N64 O96 -","8","1","","Depenbrock, Felix; Limpke, Thomas; Stammler, Anja; Oldengott, Jan; Bögge, Hartmut; Glaser, Thorsten","Increasing the electron donation in a dinucleating ligand family: molecular and electronic structures in a series of Co<sup>II</sup>Co<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9554","9567","10.1039/d4dt00877d","","x-ray","0.71073","MoKα","","0.0561","0.0391","","","0.0838","0.0905","","","","","","1.017","","","","has coordinates,has disorder","293028","2024-07-05","16:07:30",""
"7716087","12.1162","0.0016","38.977","0.005","12.8849","0.0016","90","","93.902","0.002","90","","6070.8","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H76 Cl3 Co2 N11 O17 -","- C46 H70 Cl3 Co2 N9 O17 -","- C184 H280 Cl12 Co8 N36 O68 -","4","1","","Depenbrock, Felix; Limpke, Thomas; Stammler, Anja; Oldengott, Jan; Bögge, Hartmut; Glaser, Thorsten","Increasing the electron donation in a dinucleating ligand family: molecular and electronic structures in a series of Co<sup>II</sup>Co<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9554","9567","10.1039/d4dt00877d","","x-ray","0.71073","MoKα","","0.0619","0.0403","","","0.0875","0.0951","","","","","","1.012","","","","has coordinates,has disorder","293028","2024-07-05","16:07:30",""
"7716088","12.4043","0.0006","13.0584","0.0007","24.6003","0.0011","90","","90","","90","","3984.8","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H46 Br2 Cl2 Co2 N12 O8 -","- C28 H46 Br2 Cl2 Co2 N12 O8 -","- C112 H184 Br8 Cl8 Co8 N48 O32 -","4","1","","Depenbrock, Felix; Limpke, Thomas; Stammler, Anja; Oldengott, Jan; Bögge, Hartmut; Glaser, Thorsten","Increasing the electron donation in a dinucleating ligand family: molecular and electronic structures in a series of Co<sup>II</sup>Co<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9554","9567","10.1039/d4dt00877d","","x-ray","0.71073","MoKα","","0.0231","0.0211","","","0.0508","0.0515","","","","","","1.029","","","","has coordinates,has disorder","293028","2024-07-05","16:07:30",""
"7716089","13.3763","0.0005","15.5871","0.0007","19.1171","0.0008","90.478","0.001","94.238","0.001","105.796","0.001","3823.2","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C81 H93 B2 Co2 F3 N14 O4 S -","- C81 H93 B2 Co2 F3 N14 O4 S -","- C162 H186 B4 Co4 F6 N28 O8 S2 -","2","1","","Depenbrock, Felix; Limpke, Thomas; Stammler, Anja; Oldengott, Jan; Bögge, Hartmut; Glaser, Thorsten","Increasing the electron donation in a dinucleating ligand family: molecular and electronic structures in a series of Co<sup>II</sup>Co<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9554","9567","10.1039/d4dt00877d","","x-ray","0.71073","MoKα","","0.0479","0.0356","","","0.0894","0.097","","","","","","1.018","","","","has coordinates,has disorder","293028","2024-07-05","16:07:30",""
"7716090","21.2572","0.0005","14.9463","0.0004","20.1478","0.0005","90","","90.088","0.002","90","","6401.3","0.3","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C38 H36 N6 O2 -","- C38 H36 N6 O2 -","- C304 H288 N48 O16 -","8","2","","Paderni, Daniele; Macedi, Eleonora; Giacomazzo, Gina Elena; Formica, Mauro; Giorgi, Luca; Valtancoli, Barbara; Rossi, Patrizia; Paoli, Paola; Conti, Luca; Fusi, Vieri; Giorgi, Claudia","A new biphenol-dipicolylamine based ligand and its dinuclear Zn<sup>2+</sup> complex as fluorescent sensors for ibuprofen and ketoprofen in aqueous solution.","Dalton transactions (Cambridge, England : 2003)","2024","53","22","9495","9509","10.1039/d4dt00935e","","","1.54178","CuKα","","0.0667","0.0503","","","0.1198","0.1308","","","","","","1.039","","","","has coordinates,has disorder","293021","2024-07-05","16:04:25",""
"7716091","13.8962","0.0004","14.5101","0.0003","15.7711","0.0004","87.974","0.002","64.155","0.003","70.434","0.002","2673.63","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H64 Cu N8 O12 -","- C52 H56 Cu N8 O8 -","- C104 H112 Cu2 N16 O16 -","2","1","","Rijwan, ?; Arjmand, Farukh; Tabassum, Sartaj","Repurposing the antihistamine drug bilastine as an anti-cancer metallic drug entity: synthesis and single-crystal X-ray structure analysis of metal-based bilastine and phen [Co(II), Cu(II) and Zn(II)] tailored anticancer chemotherapeutic agents against resistant cancer cells.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10126","10141","10.1039/d4dt00426d","","","0.71073","MoKα","","0.0733","0.0497","","","0.1392","0.1503","","","","","","1.082","","","","has coordinates,has disorder","292996","2024-07-05","15:52:07",""
"7716092","12.4495","0.0002","14.2858","0.0004","15.3421","0.0002","89.321","0.002","78.885","0.001","81.02","0.002","2644.14","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H59 Cl N8 O8 Zn -","- C55 H59 Cl N8 O8 Zn -","- C110 H118 Cl2 N16 O16 Zn2 -","2","1","","Rijwan, ?; Arjmand, Farukh; Tabassum, Sartaj","Repurposing the antihistamine drug bilastine as an anti-cancer metallic drug entity: synthesis and single-crystal X-ray structure analysis of metal-based bilastine and phen [Co(II), Cu(II) and Zn(II)] tailored anticancer chemotherapeutic agents against resistant cancer cells.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10126","10141","10.1039/d4dt00426d","","x-ray","0.71073","MoKα","","0.1003","0.0721","","","0.2134","0.2262","","","","","","1.081","","","","has coordinates","292996","2024-07-05","15:52:08",""
"7716093","13.8983","0.001","13.9966","0.001","15.2105","0.001","90","","111.999","0.008","90","","2743.4","0.4","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C114 H134 Cl2 Co2 N16 O20 -","- C104 H104 Cl2 Co2 N14 O14 -","- C104 H104 Cl2 Co2 N14 O14 -","1","0.5","","Rijwan, ?; Arjmand, Farukh; Tabassum, Sartaj","Repurposing the antihistamine drug bilastine as an anti-cancer metallic drug entity: synthesis and single-crystal X-ray structure analysis of metal-based bilastine and phen [Co(II), Cu(II) and Zn(II)] tailored anticancer chemotherapeutic agents against resistant cancer cells.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10126","10141","10.1039/d4dt00426d","","x-ray","0.71073","MoKα","","0.0864","0.055","","","0.1345","0.1506","","","","","","0.9623","","","","has coordinates,has disorder","292996","2024-07-05","15:52:08",""
"7716094","13.2505","0.0002","11.0878","0.0002","32.1285","0.0004","90","","92.655","0.001","90","","4715.22","0.13","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H53 F6 N6 O3 P Ru -","- C51 H53 F6 N6 O3 P Ru -","- C204 H212 F24 N24 O12 P4 Ru4 -","4","1","","Mudrak, Vladyslav; Lacroix, Pascal G.; Tassé, Marine; Mallet-Ladeira, Sonia; Roshal, Alexander; Malfant, Isabelle","Ruthenium nitrosyl complexes with NO release capability: the use of fluorene as an antenna.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9777","9791","10.1039/d4dt01154f","","x-ray","1.54184","CuKα","","0.0702","0.052","","","0.1325","0.1428","","","","","","1.093","","","","has coordinates,has disorder","293138","2024-07-05","16:56:46",""
"7716095","16.6411","0.0005","16.6411","0.0005","19.4879","0.0009","90","","90","","120","","4673.7","0.3","100","","100","","","","","","","","","6","R -3 :H","-R 3","148","","SNSInCl","","- C15 H33 Cl3 In3 N3 S6 -","- C15 H33 Cl3 In3 N3 S6 -","- C90 H198 Cl18 In18 N18 S36 -","6","0.333333","","Amadi, Chijioke Kingsley; Karimpour, Touraj; Jafari, Maziar; Peng, Zhiyuan; Van Gerven, David; Brune, Veronika; Hartl, Fabian; Siaj, Mohamed; Mathur, Sanjay","Synthesis and theoretical study of a mixed-ligand indium(III) complex for fabrication of β-In<sub>2</sub>S<sub>3</sub> thin films <i>via</i> chemical vapor deposition.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9874","9886","10.1039/d4dt00394b","","","0.71073","MoKα","","0.0437","0.0376","","","0.0957","0.0995","","","","","","1.095","","","","has coordinates","293131","2024-07-05","16:54:17",""
"7716096","11.1065","0.0003","13.0043","0.0005","22.9345","0.0007","90","","90","","90","","3312.48","0.19","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","In(HSEt)2NMe)NO","","- C13 H16 F3 In N2 O S2 -","- C13 H16 F3 In N2 O S2 -","- C104 H128 F24 In8 N16 O8 S16 -","8","1","","Amadi, Chijioke Kingsley; Karimpour, Touraj; Jafari, Maziar; Peng, Zhiyuan; Van Gerven, David; Brune, Veronika; Hartl, Fabian; Siaj, Mohamed; Mathur, Sanjay","Synthesis and theoretical study of a mixed-ligand indium(III) complex for fabrication of β-In<sub>2</sub>S<sub>3</sub> thin films <i>via</i> chemical vapor deposition.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9874","9886","10.1039/d4dt00394b","","","0.71073","MoKα","","0.0463","0.0333","","","0.0691","0.0759","","","","","","1.048","","","","has coordinates","293131","2024-07-05","16:54:18",""
"7716097","17.925","0.002","26.902","0.003","3.9069","0.0004","90","","90","","90","","1884","0.4","150","2","150","2","","","","","","","synthesis as described","3","F d d 2","F 2 -2d","43","","","","- C6 O2 S6 -","- C6 O2 S6 -","- C48 O16 S48 -","8","0.5","","Youssef, Khalil; Poidevin, Corentin; Vacher, Antoine; Fihey, Arnaud; Le Gal, Yann; Roisnel, Thierry; Lorcy, Dominique","Radical and diradical states of bis(molybdenocene dithiolene) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9763","9776","10.1039/d4dt00694a","","x-ray","0.71073","MoKα","","0.034","0.0312","","","0.0679","0.0692","","","","","","1.056","","","","has coordinates","293134","2024-07-05","16:55:59",""
"7716098","6.6939","0.0016","7.9864","0.0019","15.384","0.004","90","","90.118","0.011","90","","822.4","0.4","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 S6 Si2 -","- C10 H12 S6 Si2 -","- C20 H24 S12 Si4 -","2","0.5","","Youssef, Khalil; Poidevin, Corentin; Vacher, Antoine; Fihey, Arnaud; Le Gal, Yann; Roisnel, Thierry; Lorcy, Dominique","Radical and diradical states of bis(molybdenocene dithiolene) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9763","9776","10.1039/d4dt00694a","","x-ray","0.71073","MoKα","","0.0626","0.0407","","","0.0843","0.0946","","","","","","0.981","","","","has coordinates","293134","2024-07-05","16:55:59",""
"7716099","11.3393","0.0011","7.7186","0.0007","13.8396","0.0013","90","","114.361","0.003","90","","1103.44","0.18","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Mo S2 -","- C12 H12 Mo S2 -","- C48 H48 Mo4 S8 -","4","1","","Youssef, Khalil; Poidevin, Corentin; Vacher, Antoine; Fihey, Arnaud; Le Gal, Yann; Roisnel, Thierry; Lorcy, Dominique","Radical and diradical states of bis(molybdenocene dithiolene) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9763","9776","10.1039/d4dt00694a","","x-ray","0.71073","MoKα","","0.028","0.0263","","","0.0664","0.0689","","","","","","1.048","","","","has coordinates","293134","2024-07-05","16:55:59",""
"7716100","3.8723","0.0007","11.708","0.002","9.9274","0.0017","90","","90.31","0.007","90","","450.07","0.14","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H2 O2 S4 -","- C8 H2 O2 S4 -","- C16 H4 O4 S8 -","2","0.5","","Youssef, Khalil; Poidevin, Corentin; Vacher, Antoine; Fihey, Arnaud; Le Gal, Yann; Roisnel, Thierry; Lorcy, Dominique","Radical and diradical states of bis(molybdenocene dithiolene) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9763","9776","10.1039/d4dt00694a","","x-ray","0.71073","MoKα","","0.0376","0.0344","","","0.0826","0.0846","","","","","","1.017","","","","has coordinates","293134","2024-07-05","16:55:59",""
"7716101","5.9374","0.0004","12.6972","0.0007","13.0938","0.0007","90","","90","","90","","987.12","0.1","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 Mo S2 -","- C10 H10 Mo S2 -","- C40 H40 Mo4 S8 -","4","1","","Youssef, Khalil; Poidevin, Corentin; Vacher, Antoine; Fihey, Arnaud; Le Gal, Yann; Roisnel, Thierry; Lorcy, Dominique","Radical and diradical states of bis(molybdenocene dithiolene) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9763","9776","10.1039/d4dt00694a","","x-ray","0.71073","MoKα","","0.0483","0.0432","","","0.09","0.0935","","","","","","0.993","","","","has coordinates,has disorder","293134","2024-07-05","16:55:59",""
"7716102","6.9743","0.001","8.8737","0.0011","12.5077","0.0014","90","","94.939","0.006","90","","771.2","0.17","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 O2 S4 Si2 -","- C10 H12 O2 S4 Si2 -","- C20 H24 O4 S8 Si4 -","2","0.5","","Youssef, Khalil; Poidevin, Corentin; Vacher, Antoine; Fihey, Arnaud; Le Gal, Yann; Roisnel, Thierry; Lorcy, Dominique","Radical and diradical states of bis(molybdenocene dithiolene) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9763","9776","10.1039/d4dt00694a","","x-ray","0.71073","MoKα","","0.0352","0.0297","","","0.0686","0.0699","","","","","","1.134","","","","has coordinates","293134","2024-07-05","16:55:59",""
"7716103","12.0971","0.0013","10.8907","0.0012","16.869","0.002","90","","102.634","0.004","90","","2168.6","0.4","150","2","150","2","","","","","","","synthesis as described","5","C 1 c 1","C -2yc","9","","","","- C11 H10 Mo O S2 -","- C11 H10 Mo O S2 -","- C88 H80 Mo8 O8 S16 -","8","2","","Youssef, Khalil; Poidevin, Corentin; Vacher, Antoine; Fihey, Arnaud; Le Gal, Yann; Roisnel, Thierry; Lorcy, Dominique","Radical and diradical states of bis(molybdenocene dithiolene) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9763","9776","10.1039/d4dt00694a","","x-ray","0.71073","MoKα","","0.0619","0.0617","","","0.154","0.1544","","","","","","1.081","","","","has coordinates","293134","2024-07-05","16:55:59",""
"7716104","11.8373","0.0013","15.1681","0.0015","12.7361","0.0012","90","","103.61","0.004","90","","2222.5","0.4","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Mo O S4 Si2 -","- C19 H22 Mo O S4 Si2 -","- C76 H88 Mo4 O4 S16 Si8 -","4","1","","Youssef, Khalil; Poidevin, Corentin; Vacher, Antoine; Fihey, Arnaud; Le Gal, Yann; Roisnel, Thierry; Lorcy, Dominique","Radical and diradical states of bis(molybdenocene dithiolene) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9763","9776","10.1039/d4dt00694a","","x-ray","0.71073","MoKα","","0.0521","0.0453","","","0.1224","0.1299","","","","","","1.006","","","","has coordinates,has disorder","293134","2024-07-05","16:55:59",""
"7716105","10.2164","0.0005","10.7791","0.0005","13.0555","0.0005","67.311","0.004","70.582","0.004","79.542","0.004","1248.66","0.11","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C27 H38 N2 -","- C27 H38 N2 -","- C54 H76 N4 -","2","1","","Bourne, Connor; Dong, Huanhuan; McKain, Katharine; Mayer, Lena C.; McKay, Aidan P.; Cordes, David B.; Slawin, Alexandra M. Z.; Stasch, Andreas","Alkyl backbone variations in common β-diketiminate ligands and applications to <i>N</i>-heterocyclic silylene chemistry.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9887","9895","10.1039/d4dt01298d","","","0.71073","MoKα","","0.1295","0.0616","","","0.1568","0.1823","","","","","","1.05","","","","has coordinates","293128","2024-07-05","16:52:41",""
"7716106","25.661","0.011","7.581","0.003","16.993","0.008","90","","101.242","0.008","90","","3242","2","93","","93","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H27 N O -","- C18 H27 N O -","- C144 H216 N8 O8 -","8","1","","Bourne, Connor; Dong, Huanhuan; McKain, Katharine; Mayer, Lena C.; McKay, Aidan P.; Cordes, David B.; Slawin, Alexandra M. Z.; Stasch, Andreas","Alkyl backbone variations in common β-diketiminate ligands and applications to <i>N</i>-heterocyclic silylene chemistry.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9887","9895","10.1039/d4dt01298d","","","0.71073","MoKα","","0.0742","0.0519","","","0.1298","0.1484","","","","","","1.075","","","","has coordinates","293128","2024-07-05","16:52:49",""
"7716107","13.069","0.003","16.031","0.003","14.893","0.003","90","","105.472","0.005","90","","3007.1","1.1","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H49 Li N2 -","- C33 H49 Li N2 -","- C132 H196 Li4 N8 -","4","1","","Bourne, Connor; Dong, Huanhuan; McKain, Katharine; Mayer, Lena C.; McKay, Aidan P.; Cordes, David B.; Slawin, Alexandra M. Z.; Stasch, Andreas","Alkyl backbone variations in common β-diketiminate ligands and applications to <i>N</i>-heterocyclic silylene chemistry.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9887","9895","10.1039/d4dt01298d","","","0.71073","MoKα","","0.1145","0.0977","","","0.2449","0.2638","","","","","","1.064","","","","has coordinates","293128","2024-07-05","16:52:49",""
"7716108","9.96708","0.00012","22.4804","0.0002","13.98249","0.00018","90","","107.16","0.0013","90","","2993.51","0.06","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H45 Br N2 Si -","- C31 H45 Br N2 Si -","- C124 H180 Br4 N8 Si4 -","4","1","","Bourne, Connor; Dong, Huanhuan; McKain, Katharine; Mayer, Lena C.; McKay, Aidan P.; Cordes, David B.; Slawin, Alexandra M. Z.; Stasch, Andreas","Alkyl backbone variations in common β-diketiminate ligands and applications to <i>N</i>-heterocyclic silylene chemistry.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9887","9895","10.1039/d4dt01298d","","x-ray","1.54184","CuKα","","0.0285","0.0282","","","0.0756","0.0758","","","","","","1.09","","","","has coordinates,has disorder","293128","2024-07-05","16:52:49",""
"7716109","21.02927","0.00017","17.767","0.00009","22.03725","0.00017","90","","117.601","0.001","90","","7296.69","0.11","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H59 Li N2 O -","- C37 H59 Li N2 O -","- C296 H472 Li8 N16 O8 -","8","2","","Bourne, Connor; Dong, Huanhuan; McKain, Katharine; Mayer, Lena C.; McKay, Aidan P.; Cordes, David B.; Slawin, Alexandra M. Z.; Stasch, Andreas","Alkyl backbone variations in common β-diketiminate ligands and applications to <i>N</i>-heterocyclic silylene chemistry.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9887","9895","10.1039/d4dt01298d","","","1.54184","CuKα","","0.0484","0.0436","","","0.1216","0.1257","","","","","","1.058","","","","has coordinates,has disorder","293128","2024-07-05","16:52:49",""
"7716110","11.479","0.002","11.1228","0.0016","16.637","0.003","90","","104.589","0.004","90","","2055.7","0.6","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H30 N2 -","- C23 H30 N2 -","- C92 H120 N8 -","4","1","","Bourne, Connor; Dong, Huanhuan; McKain, Katharine; Mayer, Lena C.; McKay, Aidan P.; Cordes, David B.; Slawin, Alexandra M. Z.; Stasch, Andreas","Alkyl backbone variations in common β-diketiminate ligands and applications to <i>N</i>-heterocyclic silylene chemistry.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9887","9895","10.1039/d4dt01298d","","","0.71073","MoKα","","0.0564","0.0459","","","0.1171","0.1252","","","","","","1.023","","","","has coordinates","293128","2024-07-05","16:52:49",""
"7716111","7.4666","0.0003","12.1844","0.0003","14.2288","0.0005","98.309","0.002","92.873","0.003","105.787","0.003","1227.13","0.08","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H37 N2 O2 P -","- C27 H37 N2 O2 P -","- C54 H74 N4 O4 P2 -","2","1","","Bourne, Connor; Dong, Huanhuan; McKain, Katharine; Mayer, Lena C.; McKay, Aidan P.; Cordes, David B.; Slawin, Alexandra M. Z.; Stasch, Andreas","Alkyl backbone variations in common β-diketiminate ligands and applications to <i>N</i>-heterocyclic silylene chemistry.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9887","9895","10.1039/d4dt01298d","","","0.71073","MoKα","","0.0928","0.0575","","","0.1351","0.1472","","","","","","1.061","","","","has coordinates","293128","2024-07-05","16:52:49",""
"7716112","20.984","0.004","9.1852","0.0017","28.454","0.006","90","","103.542","0.006","90","","5331.8","1.8","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H42 N2 -","- C29 H42 N2 -","- C232 H336 N16 -","8","2","","Bourne, Connor; Dong, Huanhuan; McKain, Katharine; Mayer, Lena C.; McKay, Aidan P.; Cordes, David B.; Slawin, Alexandra M. Z.; Stasch, Andreas","Alkyl backbone variations in common β-diketiminate ligands and applications to <i>N</i>-heterocyclic silylene chemistry.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9887","9895","10.1039/d4dt01298d","","","0.71073","MoKα","","0.121","0.0513","","","0.1085","0.1242","","","","","","0.788","","","","has coordinates,has disorder","293128","2024-07-05","16:52:49",""
"7716113","15.8308","0.0004","16.5393","0.0004","21.5528","0.0006","90","","91.311","0.002","90","","5641.7","0.3","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H46 N2 -","- C31 H46 N2 -","- C248 H368 N16 -","8","2","","Bourne, Connor; Dong, Huanhuan; McKain, Katharine; Mayer, Lena C.; McKay, Aidan P.; Cordes, David B.; Slawin, Alexandra M. Z.; Stasch, Andreas","Alkyl backbone variations in common β-diketiminate ligands and applications to <i>N</i>-heterocyclic silylene chemistry.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9887","9895","10.1039/d4dt01298d","","x-ray","0.71073","MoKα","","0.1449","0.0759","","","0.1686","0.1962","","","","","","1.012","","","","has coordinates,has disorder","293128","2024-07-05","16:52:49",""
"7716114","32.532","0.004","32.532","0.004","12.1693","0.0017","90","","90","","120","","11154","2","173","","173","","","","","","","","","3","P -3","-P 3","147","","","","- C27 H38 N2 -","- C27 H38 N2 -","- C486 H684 N36 -","18","3","","Bourne, Connor; Dong, Huanhuan; McKain, Katharine; Mayer, Lena C.; McKay, Aidan P.; Cordes, David B.; Slawin, Alexandra M. Z.; Stasch, Andreas","Alkyl backbone variations in common β-diketiminate ligands and applications to <i>N</i>-heterocyclic silylene chemistry.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9887","9895","10.1039/d4dt01298d","","","0.71073","MoKα","","0.1362","0.0598","","","0.1302","0.1653","","","","","","1.015","","","","has coordinates,has disorder","293128","2024-07-05","16:52:49",""
"7716115","42.4215","0.0008","15.2419","0.0004","8.7768","0.0002","90","","90","","90","","5674.9","0.2","173","","173","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C31 H44 N2 Si -","- C31 H44 N2 Si -","- C248 H352 N16 Si8 -","8","0.5","","Bourne, Connor; Dong, Huanhuan; McKain, Katharine; Mayer, Lena C.; McKay, Aidan P.; Cordes, David B.; Slawin, Alexandra M. Z.; Stasch, Andreas","Alkyl backbone variations in common β-diketiminate ligands and applications to <i>N</i>-heterocyclic silylene chemistry.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9887","9895","10.1039/d4dt01298d","","x-ray","0.71073","MoKα","","0.028","0.0268","","","0.0698","0.0702","","","","","","1.047","","","","has coordinates,has disorder","293128","2024-07-05","16:52:49",""
"7716116","11.5987","0.0004","15.6955","0.0005","18.1851","0.0007","90","","93.499","0.003","90","","3304.4","0.2","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H51 K N2 -","- C37 H51 K N2 -","- C148 H204 K4 N8 -","4","1","","Bourne, Connor; Dong, Huanhuan; McKain, Katharine; Mayer, Lena C.; McKay, Aidan P.; Cordes, David B.; Slawin, Alexandra M. Z.; Stasch, Andreas","Alkyl backbone variations in common β-diketiminate ligands and applications to <i>N</i>-heterocyclic silylene chemistry.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9887","9895","10.1039/d4dt01298d","","x-ray","1.54184","CuKα","","0.0425","0.0356","","","0.0955","0.1004","","","","","","1.051","","","","has coordinates","293128","2024-07-05","16:52:49",""
"7716117","18.3621","0.0015","15.4938","0.0011","15.9852","0.0012","90","","107.896","0.003","90","","4327.7","0.6","99","2","99","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H34 Co F12 N6 P2 S2 -","- C44 H34 Co F12 N6 P2 S2 -","- C176 H136 Co4 F48 N24 P8 S8 -","4","1","","Ferraz Lobato, Lúcio; Ciattini, Samuele; Gallo, Angelo; Allão Cassaro, Rafael A; Sorace, Lorenzo; Poneti, Giordano","Thermodynamics of spin crossover in a bis(terpyridine) cobalt(II) complex featuring a thioether functionality.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9933","9941","10.1039/d4dt00574k","","","0.71073","MoKα","","0.062","0.0449","","","0.1113","0.1235","","","","","","1.031","","","","has coordinates","293125","2024-07-05","16:49:51",""
"7716118","15.005","0.002","15.005","0.002","10.863","0.002","90","","90","","120","","2118.1","0.6","100","","100","","","","","","","","","6","P -3","-P 3","147","","","","- C39 H30 B2 F8 Fe N12 -","- C39 H30 B1.9999 F7.9996 Fe N12 -","- C78 H60 B3.9998 F15.9992 Fe2 N24 -","2","0.333333","","Nielsen, Hannah H.; Vilariño, Pol; Rodríguez, Gemma; Trepard, Florian; Roubeau, Olivier; Aromí, Guillem; Aguilà, David","Self-assembly of a supramolecular spin-crossover tetrahedron.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9792","9797","10.1039/d4dt00578c","","","0.72932","Synchrotron","","0.0854","0.0826","","","0.2507","0.2629","","","","","","1.087","","","","has coordinates","293122","2024-07-05","16:48:19",""
"7716119","15.172","0.002","15.172","0.002","11.087","0.002","90","","90","","120","","2210.2","0.6","280","","280","","","","","","","","","6","P -3","-P 3","147","","","","- C39 H30 B2 F8 Fe N12 -","- C39 H30 B1.9999 F7.9996 Fe N12 -","- C78 H60 B3.9998 F15.9992 Fe2 N24 -","2","0.333333","","Nielsen, Hannah H.; Vilariño, Pol; Rodríguez, Gemma; Trepard, Florian; Roubeau, Olivier; Aromí, Guillem; Aguilà, David","Self-assembly of a supramolecular spin-crossover tetrahedron.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9792","9797","10.1039/d4dt00578c","","","0.72932","Synchrotron","","0.0728","0.0706","","","0.2236","0.2312","","","","","","1.052","","","","has coordinates","293122","2024-07-05","16:48:27",""
"7716120","15.179","0.0004","15.179","0.0004","11.1228","0.0005","90","","90","","120","","2219.38","0.13","300","","300","","","","","","","","","6","P -3","-P 3","147","","","","- C39 H30 B2 F8 Fe N12 -","- C39 H30 B1.9999 F7.9996 Fe N12 -","- C78 H60 B3.9998 F15.9992 Fe2 N24 -","2","0.333333","","Nielsen, Hannah H.; Vilariño, Pol; Rodríguez, Gemma; Trepard, Florian; Roubeau, Olivier; Aromí, Guillem; Aguilà, David","Self-assembly of a supramolecular spin-crossover tetrahedron.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9792","9797","10.1039/d4dt00578c","","","0.72931","Synchrotron","","0.0741","0.0705","","","0.2276","0.2376","","","","","","1.106","","","","has coordinates","293122","2024-07-05","16:48:35",""
"7716121","15.1758","0.0005","15.1758","0.0005","11.1731","0.0005","90","","90","","120","","2228.47","0.14","300","","300","","","","","","","","","6","P -3","-P 3","147","","","","- C39 H30 B2 F8 Fe N12 -","- C39 H30 B1.9999 F7.9996 Fe N12 -","- C78 H60 B3.9998 F15.9992 Fe2 N24 -","2","0.333333","","Nielsen, Hannah H.; Vilariño, Pol; Rodríguez, Gemma; Trepard, Florian; Roubeau, Olivier; Aromí, Guillem; Aguilà, David","Self-assembly of a supramolecular spin-crossover tetrahedron.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9792","9797","10.1039/d4dt00578c","","","0.72931","Synchrotron","","0.0729","0.0686","","","0.2306","0.2405","","","","","","1.086","","","","has coordinates","293122","2024-07-05","16:48:35",""
"7716122","15.0044","0.0008","15.0044","0.0008","10.9173","0.0009","90","","90","","120","","2128.5","0.2","100","","100","","","","","","","","","6","P -3","-P 3","147","","","","- C39 H30 B2 F8 Fe N12 -","- C39 H30 B1.9999 F7.9996 Fe N12 -","- C78 H60 B3.9998 F15.9992 Fe2 N24 -","2","0.333333","","Nielsen, Hannah H.; Vilariño, Pol; Rodríguez, Gemma; Trepard, Florian; Roubeau, Olivier; Aromí, Guillem; Aguilà, David","Self-assembly of a supramolecular spin-crossover tetrahedron.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9792","9797","10.1039/d4dt00578c","","","0.72931","Synchrotron","","0.0675","0.0629","","","0.2143","0.224","","","","","","1.132","","","","has coordinates","293122","2024-07-05","16:48:35",""
"7716123","41.317","0.008","39.303","0.008","33.74","0.007","90","","127.48","0.03","90","","43479","2","300","2","300","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C381 H378 B13 Cl12 F52 Fe11 N96 O23 -","- C318 H252 B13 Cl12 F52 Fe11 N96 O2 -","- C1272 H1008 B52 Cl48 F208 Fe44 N384 O8 -","4","0.5","","Nielsen, Hannah H.; Vilariño, Pol; Rodríguez, Gemma; Trepard, Florian; Roubeau, Olivier; Aromí, Guillem; Aguilà, David","Self-assembly of a supramolecular spin-crossover tetrahedron.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9792","9797","10.1039/d4dt00578c","","","0.7288","synchrotron","","0.0975","0.0718","","","0.2036","0.2245","","","","","","1.039","","","","has coordinates","293122","2024-07-05","16:48:35",""
"7716124","41.02","0.04","39.04","0.02","33.58","0.02","90","","127.471","0.004","90","","42680","5","275","2","275","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C381 H378 B13 Cl12 F52 Fe11 N96 O23 -","- C336 H288 B13 Cl12 F52 Fe11 N96 O8 -","- C1344 H1152 B52 Cl48 F208 Fe44 N384 O32 -","4","0.5","","Nielsen, Hannah H.; Vilariño, Pol; Rodríguez, Gemma; Trepard, Florian; Roubeau, Olivier; Aromí, Guillem; Aguilà, David","Self-assembly of a supramolecular spin-crossover tetrahedron.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9792","9797","10.1039/d4dt00578c","","","0.7288","synchrotron","","0.1052","0.0852","","","0.2337","0.2496","","","","","","1.003","","","","has coordinates","293122","2024-07-05","16:48:35",""
"7716125","40.868","0.004","38.826","0.004","32.701","0.003","90","","128.243","0.003","90","","40752","7","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C381 H378 B13 Cl12 F52 Fe11 N96 O23 -","- C378 H372 B13 Cl12 F52 Fe11 N96 O22 -","- C1512 H1488 B52 Cl48 F208 Fe44 N384 O88 -","4","0.5","","Nielsen, Hannah H.; Vilariño, Pol; Rodríguez, Gemma; Trepard, Florian; Roubeau, Olivier; Aromí, Guillem; Aguilà, David","Self-assembly of a supramolecular spin-crossover tetrahedron.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9792","9797","10.1039/d4dt00578c","","","0.7288","synchrotron","","0.1071","0.0905","","","0.2491","0.2672","","","","","","1.045","","","","has coordinates,has disorder","293122","2024-07-05","16:48:35",""
"7716126","41.41","0.02","39.35","0.02","33.45","0.02","90","","128.243","0.01","90","","42809","4","200","2","200","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C381 H378 B13 Cl12 F52 Fe11 N96 O23 -","- C348 H312 B13 Cl12 F52 Fe11 N96 O12 -","- C1392 H1248 B52 Cl48 F208 Fe44 N384 O48 -","4","0.5","","Nielsen, Hannah H.; Vilariño, Pol; Rodríguez, Gemma; Trepard, Florian; Roubeau, Olivier; Aromí, Guillem; Aguilà, David","Self-assembly of a supramolecular spin-crossover tetrahedron.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9792","9797","10.1039/d4dt00578c","","","0.7288","synchrotron","","0.1363","0.1214","","","0.2927","0.2987","","","","","","1.111","","","","has coordinates,has disorder","293122","2024-07-05","16:48:35",""
"7716127","6.8118","0.0004","17.4551","0.0009","28.7818","0.0017","90","","95.371","0.002","90","","3407.1","0.3","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Znbsdtbbpy","ZnbmsabDTBBPY","","- C26 H34 N4 O4 S2 Zn -","- C26 H34 N4 O4 S2 Zn -","- C104 H136 N16 O16 S8 Zn4 -","4","1","","Hunger, David; Suhr, Simon; Bayer, Valentin; Albold, Uta; Frey, Wolfgang; Sarkar, Biprajit; van Slageren, Joris","Precursor molecules for 1,2-diamidobenzene containing cobalt(II), nickel(II) and zinc(II) complexes - synthesis and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9852","9861","10.1039/d4dt01115e","","","0.71073","MoKα","","0.0565","0.0371","","","0.0814","0.0857","","","","","","1.025","","","","has coordinates","293133","2024-07-05","16:55:46",""
"7716128","14.3666","0.0002","15.3987","0.0002","16.6493","0.0003","65.329","0.002","88.422","0.001","75.839","0.001","3233.71","0.1","113.15","","113.15","","","","","","","","","7","P -1","-P 1","2","","","","- C100 H72 F60 Gd2 N10 O26 Zn2 -","- C100 H72 F60 Gd2 N10 O26 Zn2 -","- C100 H72 F60 Gd2 N10 O26 Zn2 -","1","0.5","","Song, Hongwei; Jin, Chaoyi; Wang, Xiaotong; Xie, Junfang; Ma, Yue; Tang, Jinkui; Li, Licun","Tuning spin dynamics of binuclear Dy complexes using different nitroxide biradical derivatives.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","10007","10017","10.1039/d3dt04360f","","x-ray","0.71073","MoKα","","0.1417","0.0838","","","0.1836","0.2188","","","","","","0.975","","","","has coordinates","293132","2024-07-05","16:55:36",""
"7716129","14.2934","0.0002","15.4505","0.0002","16.4647","0.0003","113.099","0.002","90.613","0.001","105.162","0.001","3201.73","0.1","99.99","0.1","99.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C100 H72 Dy2 F60 N10 O30 Zn2 -","- C100 H72 Dy2 F60 N10 O30 Zn2 -","- C100 H72 Dy2 F60 N10 O30 Zn2 -","1","0.5","","Song, Hongwei; Jin, Chaoyi; Wang, Xiaotong; Xie, Junfang; Ma, Yue; Tang, Jinkui; Li, Licun","Tuning spin dynamics of binuclear Dy complexes using different nitroxide biradical derivatives.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","10007","10017","10.1039/d3dt04360f","","x-ray","1.54184","CuKα","","0.086","0.0797","","","0.2314","0.2384","","","","","","1.065","","","","has coordinates,has disorder","293132","2024-07-05","16:55:36",""
"7716130","14.3636","0.0002","15.4369","0.0003","16.5246","0.0003","65.836","0.002","88.697","0.001","75.484","0.001","3222.97","0.11","113.15","","113.15","","","","","","","","","7","P -1","-P 1","2","","","","- C100 H72 Dy2 F60 N10 O26 Zn2 -","- C100 H72 Dy2 F60 N10 O26 Zn2 -","- C100 H72 Dy2 F60 N10 O26 Zn2 -","1","0.5","","Song, Hongwei; Jin, Chaoyi; Wang, Xiaotong; Xie, Junfang; Ma, Yue; Tang, Jinkui; Li, Licun","Tuning spin dynamics of binuclear Dy complexes using different nitroxide biradical derivatives.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","10007","10017","10.1039/d3dt04360f","","x-ray","0.71073","MoKα","","0.1409","0.0837","","","0.1773","0.2093","","","","","","1.004","","","","has coordinates","293132","2024-07-05","16:55:36",""
"7716131","15.6015","0.0006","40.4127","0.0017","19.2506","0.0008","90","","112.453","0.001","90","","11217.4","0.8","296","2","296.15","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C24 H112.5 K10 O181 Sn8 V3 W34.75 -","- C24 H32 K10 O153 Sn8 V3 W34.75 -","- C48 H64 K20 O306 Sn16 V6 W69.5 -","2","0.5","","Zhu, Hao-Tian; Sun, Yang; Su, Fang; Zhang, Ya-Jun; Sang, Xiao-Jing; Ren, Jing; Zhang, Lan-Cui","Self-assembly of a unique triangle-like tungstovanadate containing pentagonal {(WO<sub>7</sub>)W<sub>3</sub>(SnR)<sub>2</sub>} cluster.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10226","10234","10.1039/d4dt01281j","","","0.71073","MoKα","","0.0986","0.051","","","0.1104","0.1226","","","","","","0.905","","","","has coordinates,has disorder","292990","2024-07-05","15:48:39",""
"7716132","13.2746","0.0009","10.8531","0.0007","27.8509","0.0018","90","","91.081","0.007","90","","4011.8","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H35 Cl2 F6 Fe2 O2 P3 -","- C42 H35 Cl2 F6 Fe2 O2 P3 -","- C168 H140 Cl8 F24 Fe8 O8 P12 -","4","1","","Kosińska, Aneta; Jamroz, Daria; Rybarczyk-Pirek, Agnieszka J; Wojtulewski, Sławomir; Palusiak, Marcin; Zakrzewski, Janusz; Rudolf, Bogna","Amine-catalyzed substitution in CpFe(CO)<sub>2</sub>I by phosphine and bisphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9732","9740","10.1039/d4dt00416g","","","0.71073","MoKα","","0.1719","0.1159","","","0.3093","0.3366","","","","","","1.08","","","","has coordinates","293121","2024-07-05","16:47:06",""
"7716133","9.7064","0.0002","14.0307","0.0002","23.7668","0.0005","90","","118.778","0.003","90","","2836.98","0.12","100.1","0.9","100.1","0.9","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H29 Fe I O P2 -","- C32 H29 Fe I O P2 -","- C128 H116 Fe4 I4 O4 P8 -","4","1","","Kosińska, Aneta; Jamroz, Daria; Rybarczyk-Pirek, Agnieszka J; Wojtulewski, Sławomir; Palusiak, Marcin; Zakrzewski, Janusz; Rudolf, Bogna","Amine-catalyzed substitution in CpFe(CO)<sub>2</sub>I by phosphine and bisphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9732","9740","10.1039/d4dt00416g","","x-ray","1.54184","CuKα","","0.0238","0.0208","","","0.0499","0.0517","","","","","","1.014","","","","has coordinates","293121","2024-07-05","16:47:07",""
"7716134","21.4111","0.0002","21.4111","0.0002","19.0714","0.0003","90","","90","","90","","8743","0.18","100.1","0.9","100.1","0.9","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C48 H38 Fe3 I2 O4 P2 -","- C48 H38 Fe3 I2 O4 P2 -","- C384 H304 Fe24 I16 O32 P16 -","8","0.5","","Kosińska, Aneta; Jamroz, Daria; Rybarczyk-Pirek, Agnieszka J; Wojtulewski, Sławomir; Palusiak, Marcin; Zakrzewski, Janusz; Rudolf, Bogna","Amine-catalyzed substitution in CpFe(CO)<sub>2</sub>I by phosphine and bisphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9732","9740","10.1039/d4dt00416g","","x-ray","1.54184","CuKα","","0.0426","0.0413","","","0.1075","0.1086","","","","","","1.042","","","","has coordinates,has disorder","293121","2024-07-05","16:47:07",""
"7716135","10.6227","0.0002","23.8289","0.0005","16.4258","0.0003","90","","119.508","0.001","90","","3618.49","0.13","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 B2 F8 Fe N11 O4 -","- C30 H29 B2 F8 Fe N11 O4 -","- C120 H116 B8 F32 Fe4 N44 O16 -","4","1","","Kuppusamy, Senthil Kumar; Mizuno, Asato; Kämmerer, Lea; Salamon, Soma; Heinrich, Benoît; Bailly, Corinne; Šalitroš, Ivan; Wende, Heiko; Ruben, Mario","Lattice solvent- and substituent-dependent spin-crossover in isomeric iron(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","10851","10865","10.1039/d4dt00429a","","","1.54178","CuKα","","0.0751","0.0573","","","0.1388","0.1496","","","","","","1.035","","","","has coordinates,has disorder","293048","2024-07-05","16:15:25",""
"7716136","11.1197","0.0008","22.2405","0.0014","14.4958","0.0009","90","","91.076","0.004","90","","3584.3","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 Cl2 Fe N11 O12 -","- C30 H29 Cl2 Fe N11 O12 -","- C120 H116 Cl8 Fe4 N44 O48 -","4","1","","Kuppusamy, Senthil Kumar; Mizuno, Asato; Kämmerer, Lea; Salamon, Soma; Heinrich, Benoît; Bailly, Corinne; Šalitroš, Ivan; Wende, Heiko; Ruben, Mario","Lattice solvent- and substituent-dependent spin-crossover in isomeric iron(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","10851","10865","10.1039/d4dt00429a","","","0.71073","MoKα","","0.1255","0.0629","","","0.151","0.1845","","","","","","1.023","","","","has coordinates","293048","2024-07-05","16:15:25",""
"7716137","13.8422","0.0008","32.9222","0.0018","8.2333","0.0004","90","","100.514","0.002","90","","3689","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 Cl2 Fe N11 O12 -","- C30 H31 Cl2 Fe N11 O12 -","- C120 H124 Cl8 Fe4 N44 O48 -","4","1","","Kuppusamy, Senthil Kumar; Mizuno, Asato; Kämmerer, Lea; Salamon, Soma; Heinrich, Benoît; Bailly, Corinne; Šalitroš, Ivan; Wende, Heiko; Ruben, Mario","Lattice solvent- and substituent-dependent spin-crossover in isomeric iron(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","10851","10865","10.1039/d4dt00429a","","","0.71073","MoKα","","0.1316","0.0984","","","0.1966","0.2106","","","","","","1.173","","","","has coordinates,has disorder","293048","2024-07-05","16:15:25",""
"7716138","8.6936","0.0004","9.6057","0.0004","20.1864","0.0008","94.081","0.001","91.459","0.002","102.237","0.002","1641.83","0.12","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H26 B2 F8 Fe N10 O4 -","- C28 H26 B2 F8 Fe N10 O4 -","- C56 H52 B4 F16 Fe2 N20 O8 -","2","1","","Kuppusamy, Senthil Kumar; Mizuno, Asato; Kämmerer, Lea; Salamon, Soma; Heinrich, Benoît; Bailly, Corinne; Šalitroš, Ivan; Wende, Heiko; Ruben, Mario","Lattice solvent- and substituent-dependent spin-crossover in isomeric iron(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","10851","10865","10.1039/d4dt00429a","","","0.71073","MoKα","","0.0399","0.0356","","","0.0917","0.0947","","","","","","1.028","","","","has coordinates","293048","2024-07-05","16:15:25",""
"7716139","9.753","0.0005","25.3452","0.0012","15.2139","0.0006","90","","96.943","0.004","90","","3733.2","0.3","345","","345","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H29 B2 F8 Fe N11 O4 -","- C29.998 H28.995 B2 F8 Fe N11 O3.999 -","- C119.992 H115.98 B8 F32 Fe4 N44 O15.996 -","4","1","","Kuppusamy, Senthil Kumar; Mizuno, Asato; Kämmerer, Lea; Salamon, Soma; Heinrich, Benoît; Bailly, Corinne; Šalitroš, Ivan; Wende, Heiko; Ruben, Mario","Lattice solvent- and substituent-dependent spin-crossover in isomeric iron(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","10851","10865","10.1039/d4dt00429a","","x-ray","0.71073","MoKα","","0.1466","0.0851","","","0.2376","0.2869","","","","","","1.04","","","","has coordinates,has disorder","293048","2024-07-05","16:15:25",""
"7716140","10.7191","0.0002","24.0393","0.0003","14.5992","0.0002","90","","99.398","0.001","90","","3711.42","0.1","300","","300","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H29 B2 F8 Fe N11 O4 -","- C30 H29 B2 F7.997 Fe N11 O4 -","- C120 H116 B8 F31.988 Fe4 N44 O16 -","4","1","","Kuppusamy, Senthil Kumar; Mizuno, Asato; Kämmerer, Lea; Salamon, Soma; Heinrich, Benoît; Bailly, Corinne; Šalitroš, Ivan; Wende, Heiko; Ruben, Mario","Lattice solvent- and substituent-dependent spin-crossover in isomeric iron(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","10851","10865","10.1039/d4dt00429a","","x-ray","0.71073","MoKα","","0.062","0.0486","","","0.1298","0.14","","","","","","1.042","","","","has coordinates,has disorder","293048","2024-07-05","16:15:25",""
"7716141","13.8023","0.0006","19.2239","0.0008","10.1384","0.0004","90","","91.037","0.002","90","","2689.62","0.19","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N5 O2 -","- C14 H13 N5 O2 -","- C112 H104 N40 O16 -","8","2","","Kuppusamy, Senthil Kumar; Mizuno, Asato; Kämmerer, Lea; Salamon, Soma; Heinrich, Benoît; Bailly, Corinne; Šalitroš, Ivan; Wende, Heiko; Ruben, Mario","Lattice solvent- and substituent-dependent spin-crossover in isomeric iron(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","10851","10865","10.1039/d4dt00429a","","","0.71073","MoKα","","0.0432","0.037","","","0.0966","0.1028","","","","","","1.02","","","","has coordinates","293048","2024-07-05","16:15:25",""
"7716142","14.0964","0.0011","33.9875","0.0014","8.3387","0.0005","90","","100.291","0.007","90","","3930.8","0.4","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 Cl2 Fe N11 O12 -","- C30.003 H29.005 Cl2 Fe N11 O12.002 -","- C120.012 H116.02 Cl8 Fe4 N44 O48.008 -","4","1","","Kuppusamy, Senthil Kumar; Mizuno, Asato; Kämmerer, Lea; Salamon, Soma; Heinrich, Benoît; Bailly, Corinne; Šalitroš, Ivan; Wende, Heiko; Ruben, Mario","Lattice solvent- and substituent-dependent spin-crossover in isomeric iron(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","10851","10865","10.1039/d4dt00429a","","x-ray","0.71073","MoKα","","0.1852","0.0874","","","0.2052","0.2722","","","","","","0.989","","","","has coordinates,has disorder","293048","2024-07-05","16:15:25",""
"7716143","15.4463","0.0005","9.6553","0.0002","21.3098","0.0006","90","","106.906","0.003","90","","3040.77","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H27 Cu N5 O4 S -","- C34 H27 Cu N5 O4 S -","- C136 H108 Cu4 N20 O16 S4 -","4","1","","Gonçalves, Guilherme R; Teixeira, Tamara; Bezerra, Daniel P.; Soares, Milena B. P.; Silva, Valdenizia R.; Santos, Luciano de S; Batista, Alzir A.; Oliveira, Katia M.; Correa, Rodrigo S.","Exploring the BSA- and DNA-binding, cytotoxicity, and cell cycle evaluation of ternary copper(II)/diimine complexes with <i>N</i>,<i>N</i>-dibenzyl-<i>N</i>'-benzoylthiourea as promising metallodrug candidates.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","12951","12961","10.1039/d4dt01152j","","x-ray","0.71073","MoKα","","0.0594","0.0387","","","0.088","0.108","","","","","","1.13","","","","has coordinates,has disorder","294574","2024-09-06","00:53:11",""
"7716144","9.2596","0.0004","29.1579","0.0011","10.9693","0.0005","90","","98.491","0.004","90","","2929.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 Cu N5 O4 S -","- C32 H27 Cu N5 O4 S -","- C128 H108 Cu4 N20 O16 S4 -","4","1","","Gonçalves, Guilherme R; Teixeira, Tamara; Bezerra, Daniel P.; Soares, Milena B. P.; Silva, Valdenizia R.; Santos, Luciano de S; Batista, Alzir A.; Oliveira, Katia M.; Correa, Rodrigo S.","Exploring the BSA- and DNA-binding, cytotoxicity, and cell cycle evaluation of ternary copper(II)/diimine complexes with <i>N</i>,<i>N</i>-dibenzyl-<i>N</i>'-benzoylthiourea as promising metallodrug candidates.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","12951","12961","10.1039/d4dt01152j","","x-ray","0.71073","MoKα","","0.0641","0.0478","","","0.1228","0.1378","","","","","","1.094","","","","has coordinates","294574","2024-09-06","00:53:11",""
"7716145","8.4655","0.0008","9.6141","0.0009","10.7999","0.001","91.342","0.003","104.194","0.003","112.809","0.002","778.58","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H22.6 N16 Ni2 O25.3 -","- C10 H22.6 N16 Ni2 O25.3 -","- C10 H22.6 N16 Ni2 O25.3 -","1","0.5","","Yadav, Abhishek Kumar; Rajak, Richa; Dharavath, Srinivas","Elevating the energetic capabilities of metal coordination compounds by incorporating nitrate anions.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10093","10098","10.1039/d4dt01467g","","x-ray","0.71073","MoKα","","0.0524","0.0439","","","0.1038","0.11","","","","","","1.067","","","","has coordinates","293003","2024-07-05","15:57:14",""
"7716146","10.5648","0.0003","11.4031","0.0003","13.4514","0.0003","103.656","0.002","103.321","0.002","98.778","0.002","1495.16","0.07","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C36 H28 N8 Ni -","- C36 H28 N8 Ni -","- C72 H56 N16 Ni2 -","2","1","","Goswami, Bappaditya; Khatua, Manas; Devi, Ambika; Hans, Shivali; Chatterjee, Robindo; Samanta, Subhas","Ligand redox controlled amine dehydrogenation and imine hemilability in singlet diradical azo-aromatic Ni(II) complexes: characterization of the electron transfer series of azo-imine complexes of Ni(II).","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10250","10260","10.1039/d3dt03414c","","x-ray","1.54184","CuKα","","0.033","0.0312","","","0.0846","0.0863","","","","","","1.043","","","","has coordinates","293009","2024-07-05","16:00:59",""
"7716147","9.5912","0.0002","27.4342","0.0006","11.519","0.0003","90","","94.537","0.002","90","","3021.46","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 N8 Ni -","- C36 H32 N8 Ni -","- C144 H128 N32 Ni4 -","4","1","","Goswami, Bappaditya; Khatua, Manas; Devi, Ambika; Hans, Shivali; Chatterjee, Robindo; Samanta, Subhas","Ligand redox controlled amine dehydrogenation and imine hemilability in singlet diradical azo-aromatic Ni(II) complexes: characterization of the electron transfer series of azo-imine complexes of Ni(II).","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10250","10260","10.1039/d3dt03414c","","","0.71073","MoKα","","0.0516","0.047","","","0.1117","0.1144","","","","","","1.124","","","","has coordinates,has disorder","293009","2024-07-05","16:01:00",""
"7716148","21.5575","0.0019","8.4204","0.0007","20.7872","0.0018","90","","90","","90","","3773.4","0.6","298.15","","298.15","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C36 H26 Cl2 F2 N8 Ni O8 -","- C36 H26 Cl2 F2 N8 Ni O8 -","- C144 H104 Cl8 F8 N32 Ni4 O32 -","4","1","","Goswami, Bappaditya; Khatua, Manas; Devi, Ambika; Hans, Shivali; Chatterjee, Robindo; Samanta, Subhas","Ligand redox controlled amine dehydrogenation and imine hemilability in singlet diradical azo-aromatic Ni(II) complexes: characterization of the electron transfer series of azo-imine complexes of Ni(II).","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10250","10260","10.1039/d3dt03414c","","","0.71073","MoKα","","0.0429","0.0393","","","0.1193","0.1224","","","","","","1.056","","","","has coordinates","293009","2024-07-05","16:01:00",""
"7716149","40.212","0.008","8.3825","0.0017","32.806","0.007","90","","127.767","0.006","90","","8742","3","298.15","","298.15","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C38 H32 Cl2 N8 Ni O10 -","- C38 H32 Cl2 N8 Ni O10 -","- C304 H256 Cl16 N64 Ni8 O80 -","8","2","","Goswami, Bappaditya; Khatua, Manas; Devi, Ambika; Hans, Shivali; Chatterjee, Robindo; Samanta, Subhas","Ligand redox controlled amine dehydrogenation and imine hemilability in singlet diradical azo-aromatic Ni(II) complexes: characterization of the electron transfer series of azo-imine complexes of Ni(II).","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10250","10260","10.1039/d3dt03414c","","","0.71073","MoKα","","0.1415","0.0873","","","0.2226","0.2639","","","","","","1.053","","","","has coordinates","293009","2024-07-05","16:01:00",""
"7716150","24.5049","0.0005","19.3818","0.0004","8.2605","0.0002","90","","90","","90","","3923.32","0.15","100","0.1","100","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C37 H30 Cl4 N8 Ni O8 -","- C37 H30 Cl4 N8 Ni O8 -","- C148 H120 Cl16 N32 Ni4 O32 -","4","1","","Goswami, Bappaditya; Khatua, Manas; Devi, Ambika; Hans, Shivali; Chatterjee, Robindo; Samanta, Subhas","Ligand redox controlled amine dehydrogenation and imine hemilability in singlet diradical azo-aromatic Ni(II) complexes: characterization of the electron transfer series of azo-imine complexes of Ni(II).","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10250","10260","10.1039/d3dt03414c","","","0.71073","MoKα","","0.0472","0.0453","","","0.1","0.101","","","","","","1.074","","","","has coordinates","293009","2024-07-05","16:01:00",""
"7716151","13.1458","0.0006","22.4579","0.0009","15.9855","0.0007","90","","105.613","0.004","90","","4545.2","0.4","120","10","120","10","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H39 Dy N5 O5 P -","- C48 H39 Dy N5 O5 P -","- C192 H156 Dy4 N20 O20 P4 -","4","1","","Kalita, Pankaj; Kumari, Kusum; Kumar, Pawan; Kumar, Vierandra; Singh, Saurabh Kumar; Rogez, Guillaume; Chandrasekhar, Vadapalli","Eight-coordinate mono- and dinuclear Dy(III) complexes containing a rigid equatorial plane and an anisobidentate carboxylate ligand in the axial position: synthesis, structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10521","10535","10.1039/d4dt00803k","","x-ray","0.71073","MoKα","","0.0437","0.0323","","","0.067","0.0697","","","","","","1.091","","","","has coordinates,has disorder","293073","2024-07-05","16:27:25",""
"7716152","10.2273","0.0003","11.6932","0.0003","17.9065","0.0005","90.766","0.002","92.337","0.002","113.618","0.003","1959.4","0.1","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C90 H72 Dy2 N10 O10 P2 -","- C90 H72 Dy2 N10 O10 P2 -","- C90 H72 Dy2 N10 O10 P2 -","1","0.5","","Kalita, Pankaj; Kumari, Kusum; Kumar, Pawan; Kumar, Vierandra; Singh, Saurabh Kumar; Rogez, Guillaume; Chandrasekhar, Vadapalli","Eight-coordinate mono- and dinuclear Dy(III) complexes containing a rigid equatorial plane and an anisobidentate carboxylate ligand in the axial position: synthesis, structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10521","10535","10.1039/d4dt00803k","","x-ray","0.71073","MoKα","","0.0515","0.0415","","","0.0909","0.0938","","","","","","1.096","","","","has coordinates","293073","2024-07-05","16:27:26",""
"7716153","11.1068","0.0006","11.8584","0.0005","16.9438","0.0005","88.99","0.003","83.329","0.003","62.514","0.005","1964.7","0.17","120","10","120","10","","","","","","","","7","P -1","-P 1","2","","","","- C43 H34 Dy F3 N5 O5 P -","- C43 H34 Dy F3 N5 O5 P -","- C86 H68 Dy2 F6 N10 O10 P2 -","2","1","","Kalita, Pankaj; Kumari, Kusum; Kumar, Pawan; Kumar, Vierandra; Singh, Saurabh Kumar; Rogez, Guillaume; Chandrasekhar, Vadapalli","Eight-coordinate mono- and dinuclear Dy(III) complexes containing a rigid equatorial plane and an anisobidentate carboxylate ligand in the axial position: synthesis, structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10521","10535","10.1039/d4dt00803k","","x-ray","0.71073","MoKα","","0.0353","0.0302","","","0.0654","0.0678","","","","","","1.041","","","","has coordinates","293073","2024-07-05","16:27:34",""
"7716154","14.552","0.0007","19.6201","0.0009","16.4532","0.0008","90","","108.729","0.005","90","","4448.8","0.4","120","0.1","120","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C46 H43 Dy N5 O5 P -","- C46 H43 Dy N5 O5 P -","- C184 H172 Dy4 N20 O20 P4 -","4","1","","Kalita, Pankaj; Kumari, Kusum; Kumar, Pawan; Kumar, Vierandra; Singh, Saurabh Kumar; Rogez, Guillaume; Chandrasekhar, Vadapalli","Eight-coordinate mono- and dinuclear Dy(III) complexes containing a rigid equatorial plane and an anisobidentate carboxylate ligand in the axial position: synthesis, structure and magnetism.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10521","10535","10.1039/d4dt00803k","","x-ray","0.71073","MoKα","","0.0765","0.0698","","","0.1685","0.1734","","","","","","1.017","","","","has coordinates,has disorder","293073","2024-07-05","16:27:35",""
"7716155","9.7767","0.0006","11.4623","0.0008","16.2806","0.0011","75.113","0.003","79.398","0.003","65.194","0.003","1594.49","0.19","150.01","","150.01","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H25 B0.5 F0.5 N Si -","- C15 H25 B0.5 F0.5 N Si -","- C60 H100 B2 F2 N4 Si4 -","4","2","","Major, Christopher; Lough, Alan; Stephan, Douglas W.","A chelated borinium cation.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10075","10078","10.1039/d4dt01242a","","","0.71073","MoKα","","0.0408","0.0331","","","0.0821","0.0873","","","","","","1.05","","","","has coordinates","292992","2024-07-05","15:50:33",""
"7716156","10.0083","0.0008","16.6841","0.0014","21.0106","0.0018","91.04","0.005","90.08","0.006","93.099","0.005","3502.6","0.5","149.99","","149.99","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H62 Li2 N2 O2 Si2 -","- C34 H62 Li2 N2 O2 Si2 -","- C136 H248 Li8 N8 O8 Si8 -","4","2","","Major, Christopher; Lough, Alan; Stephan, Douglas W.","A chelated borinium cation.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10075","10078","10.1039/d4dt01242a","","","0.71073","MoKα","","0.123","0.0642","","","0.1258","0.1494","","","","","","1.022","","","","has coordinates","292992","2024-07-05","15:50:34",""
"7716157","28.241","0.002","11.0525","0.0008","16.7187","0.0012","90","","90.342","0.004","90","","5218.4","0.6","150.01","","150.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H23 B0.5 F0.5 N Si -","- C13 H23 B0.5 F0.5 N Si -","- C208 H368 B8 F8 N16 Si16 -","16","4","","Major, Christopher; Lough, Alan; Stephan, Douglas W.","A chelated borinium cation.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10075","10078","10.1039/d4dt01242a","","","0.71073","MoKα","","0.0685","0.0604","","","0.16","0.1693","","","","","","1.0325","","","","has coordinates","292992","2024-07-05","15:50:34",""
"7716158","38.921","0.004","13.4153","0.0013","19.636","0.0019","90","","98.586","0.006","90","","10137.8","1.7","149.99","","149.99","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C50 H45.289 B2 F20 N2 Si2 -","- C50 H45.289 B2 F20 N2 Si2 -","- C400 H362.312 B16 F160 N16 Si16 -","8","2","","Major, Christopher; Lough, Alan; Stephan, Douglas W.","A chelated borinium cation.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10075","10078","10.1039/d4dt01242a","","","0.71073","MoKα","","0.1952","0.0939","","","0.2169","0.2765","","","","","","1.0446","","","","has coordinates,has disorder","292992","2024-07-05","15:50:34",""
"7716159","11.0075","0.0006","12.333","0.0007","12.9754","0.0007","85.521","0.002","73.945","0.002","81.084","0.002","1671.17","0.16","100","","100","","","","","","","","","8","P -1","-P 1","2","","DB-630","","- C30 H28 B Cl4 N2 O5 P W -","- C30 H28 B Cl4 N2 O5 P W -","- C60 H56 B2 Cl8 N4 O10 P2 W2 -","2","1","","Biskup, David; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer","A metal and a metalloid Lewis acid bridged by a μ<sub>2</sub>-phosphinidene.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9670","9674","10.1039/d4dt01276c","","","0.71073","MoKα","","0.0219","0.0199","","","0.0471","0.0483","","","","","","1.111","","","","has coordinates","293124","2024-07-05","16:49:44",""
"7716160","9.536","0.0006","12.7052","0.0008","13.018","0.0007","86.357","0.002","80.306","0.002","85.98","0.002","1548.72","0.16","100","","100","","","","","","","","","7","P -1","-P 1","2","","DB-636","","- C32 H32 B N2 O6 P W -","- C32 H32 B N2 O6 P W -","- C64 H64 B2 N4 O12 P2 W2 -","2","1","","Biskup, David; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer","A metal and a metalloid Lewis acid bridged by a μ<sub>2</sub>-phosphinidene.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9670","9674","10.1039/d4dt01276c","","x-ray","0.71073","MoKα","","0.0159","0.0154","","","0.0359","0.0361","","","","","","1.05","","","","has coordinates","293124","2024-07-05","16:49:45",""
"7716161","12.068","0.003","14.316","0.003","13.869","0.003","90","","95.056","0.006","90","","2386.8","0.9","273","2","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Cl2 Co2 N4 O4 -","- C21 H20 Cl2 Co2 N4 O4 -","- C84 H80 Cl8 Co8 N16 O16 -","4","1","","Manu Manohar, Ezhava; Roy, Soumalya; Li, Xiao-Lei; Tothadi, Srinu; Mok, Jun-Gwi; Tang, Jinkui; Herchel, Radovan; Lee, Junseong; Dey, Atanu; Das, Sourav","Halide mediated modulation of magnetic interaction and anisotropy in dimeric Co(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10499","10510","10.1039/d4dt00927d","","","0.71073","MoKα","","0.0457","0.0323","","","0.072","0.0806","","","","","","1.085","","","","has coordinates","293066","2024-07-05","16:24:02",""
"7716162","12.3152","0.0007","14.3406","0.0008","13.8984","0.0007","90","","93.729","0.002","90","","2449.4","0.2","105","","105","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Br2 Co2 N4 O4 -","- C21 H19 Br2 Co2 N4 O4 -","- C84 H76 Br8 Co8 N16 O16 -","4","1","","Manu Manohar, Ezhava; Roy, Soumalya; Li, Xiao-Lei; Tothadi, Srinu; Mok, Jun-Gwi; Tang, Jinkui; Herchel, Radovan; Lee, Junseong; Dey, Atanu; Das, Sourav","Halide mediated modulation of magnetic interaction and anisotropy in dimeric Co(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10499","10510","10.1039/d4dt00927d","","","1.54178","CuKα","","0.0711","0.0667","","","0.186","0.1899","","","","","","1.083","","","","has coordinates","293066","2024-07-05","16:24:02",""
"7716163","12.8418","0.0007","14.6125","0.0008","14.0835","0.0008","90","","92.407","0.002","90","","2640.4","0.3","298","2","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 Co2 I2 N5 O2 -","- C23 H19 Co2 I2 N5 O2 -","- C92 H76 Co8 I8 N20 O8 -","4","1","","Manu Manohar, Ezhava; Roy, Soumalya; Li, Xiao-Lei; Tothadi, Srinu; Mok, Jun-Gwi; Tang, Jinkui; Herchel, Radovan; Lee, Junseong; Dey, Atanu; Das, Sourav","Halide mediated modulation of magnetic interaction and anisotropy in dimeric Co(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10499","10510","10.1039/d4dt00927d","","","0.71073","MoKα","","0.0952","0.0824","","","0.2556","0.2787","","","","","","1.142","","","","has coordinates","293066","2024-07-05","16:24:02",""
"7716164","11.0079","0.0004","16.5327","0.0004","18.6878","0.0006","90","","105.609","0.004","90","","3275.57","0.19","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H47 N4 P Se Zn -","- C31 H47 N4 P Se0.9901 Zn -","- C124 H188 N16 P4 Se3.9604 Zn4 -","4","1","","Karmakar, Himadri; Kumar, Gobbilla Sai; Pal, Kuntal; Chandrasekhar, Vadapalli; Panda, Tarun K.","Tri-coordinated zinc alkyl complexes with <i>N</i>^<i>S</i>/<i>Se</i> coordination of imino-phosphanamidinate chalcogenide ligands as precursors for efficient hydroboration of nitriles and esters.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10592","10602","10.1039/d4dt00840e","","x-ray","0.71073","MoKα","","0.069","0.0421","","","0.0893","0.0967","","","","","","1.026","","","","has coordinates","293074","2024-07-05","16:27:48",""
"7716165","11.022","0.0016","16.528","0.003","18.701","0.003","90","","105.216","0.004","90","","3287.4","0.9","273","2","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H47 N4 P S Zn -","- C31 H47 N4 P S Zn -","- C124 H188 N16 P4 S4 Zn4 -","4","1","","Karmakar, Himadri; Kumar, Gobbilla Sai; Pal, Kuntal; Chandrasekhar, Vadapalli; Panda, Tarun K.","Tri-coordinated zinc alkyl complexes with <i>N</i>^<i>S</i>/<i>Se</i> coordination of imino-phosphanamidinate chalcogenide ligands as precursors for efficient hydroboration of nitriles and esters.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10592","10602","10.1039/d4dt00840e","","","0.71073","MoKα","","0.1371","0.0569","","","0.1068","0.1306","","","","","","1.007","","","","has coordinates,has disorder","293074","2024-07-05","16:27:48",""
"7716166","9.6029","0.0004","38.6821","0.0018","12.204","0.0005","90","","101.243","0.004","90","","4446.3","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H63 N4 P Se Zn -","- C47 H63 N4 P Se Zn -","- C188 H252 N16 P4 Se4 Zn4 -","4","1","","Karmakar, Himadri; Kumar, Gobbilla Sai; Pal, Kuntal; Chandrasekhar, Vadapalli; Panda, Tarun K.","Tri-coordinated zinc alkyl complexes with <i>N</i>^<i>S</i>/<i>Se</i> coordination of imino-phosphanamidinate chalcogenide ligands as precursors for efficient hydroboration of nitriles and esters.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10592","10602","10.1039/d4dt00840e","","x-ray","0.71073","MoKα","","0.0798","0.0471","","","0.1004","0.1076","","","","","","1.02","","","","has coordinates,has disorder","293074","2024-07-05","16:27:48",""
"7716167","9.4591","0.0002","13.2462","0.0003","22.8703","0.0006","94.294","0.002","97.7","0.002","109.859","0.002","2648.49","0.12","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H71 N4 P S Zn -","- C54 H71 N4 P S Zn -","- C108 H142 N8 P2 S2 Zn2 -","2","1","","Karmakar, Himadri; Kumar, Gobbilla Sai; Pal, Kuntal; Chandrasekhar, Vadapalli; Panda, Tarun K.","Tri-coordinated zinc alkyl complexes with <i>N</i>^<i>S</i>/<i>Se</i> coordination of imino-phosphanamidinate chalcogenide ligands as precursors for efficient hydroboration of nitriles and esters.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10592","10602","10.1039/d4dt00840e","","x-ray","0.71073","MoKα","","0.0933","0.0676","","","0.1648","0.1764","","","","","","1.056","","","","has coordinates,has disorder","293074","2024-07-05","16:27:48",""
"7716168","19.0594","0.0005","10.4533","0.0003","16.3019","0.0004","90","","90","","90","","3247.89","0.15","293","0.1","293","0.1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C17 H13 Cl N2 O Pd S -","- C17 H13 Cl N2 O Pd S -","- C136 H104 Cl8 N16 O8 Pd8 S8 -","8","1","","Tanwar, Deepika; Kaur, Tashmeen; Sudheendranath, Athul; Kumar, Umesh; Sharma, Deepika","Pd(II) complexes bearing NNS pincer ligands: unveiling potent cytotoxicity against breast and pancreatic cancer.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9798","9811","10.1039/d4dt00282b","","x-ray","0.71073","MoKα","","0.0695","0.061","","","0.1759","0.1822","","","","","","1.076","","","","has coordinates","293120","2024-07-05","16:46:51",""
"7716169","5.0318","0.0001","15.513","0.0004","21.8863","0.0006","90","","94.618","0.002","90","","1702.86","0.07","293","0.16","293","0.16","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Cl N2 O2 Pd S -","- C18 H15 Cl N2 O2 Pd S -","- C72 H60 Cl4 N8 O8 Pd4 S4 -","4","1","","Tanwar, Deepika; Kaur, Tashmeen; Sudheendranath, Athul; Kumar, Umesh; Sharma, Deepika","Pd(II) complexes bearing NNS pincer ligands: unveiling potent cytotoxicity against breast and pancreatic cancer.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9798","9811","10.1039/d4dt00282b","","x-ray","0.71073","MoKα","","0.0461","0.0413","","","0.1137","0.1173","","","","","","1.078","","","","has coordinates","293120","2024-07-05","16:46:51",""
"7716170","4.9827","0.0002","14.6414","0.0006","23.7667","0.001","90","","95.462","0.004","90","","1726","0.12","293","2","293.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Cl N2 O Pd S -","- C18 H15 Cl N2 O Pd S -","- C72 H60 Cl4 N8 O4 Pd4 S4 -","4","1","","Tanwar, Deepika; Kaur, Tashmeen; Sudheendranath, Athul; Kumar, Umesh; Sharma, Deepika","Pd(II) complexes bearing NNS pincer ligands: unveiling potent cytotoxicity against breast and pancreatic cancer.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9798","9811","10.1039/d4dt00282b","","","0.71073","MoKα","","0.0281","0.0244","","","0.0599","0.0622","","","","","","1.068","","","","has coordinates","293120","2024-07-05","16:46:51",""
"7716171","15.0229","0.0003","7.4877","0.0001","15.3898","0.0003","90","","115.204","0.002","90","","1566.34","0.05","160","1","160","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 Br2 Cl N2 O Pd -","- C14 H11 Br2 Cl N2 O Pd -","- C56 H44 Br8 Cl4 N8 O4 Pd4 -","4","1","","Forooghi, Kimia; Amiri Rudbari, Hadi; Stagno, Claudio; Iraci, Nunzio; Cuevas-Vicario, José V; Kordestani, Nazanin; Schirmeister, Tanja; Efferth, Thomas; Omer, Ejlal A.; Moini, Nakisa; Aryaeifar, Mahnaz; Blacque, Olivier; Azadbakht, Reza; Micale, Nicola","Structural features and antiproliferative activity of Pd(II) complexes with halogenated ligands: a comparative study between Schiff base and reduced Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10571","10591","10.1039/d4dt00132j","","x-ray","1.54184","CuKα","","0.0177","0.0173","","","0.0432","0.0434","","","","","","1.116","","","","has coordinates","293076","2024-07-05","16:31:08",""
"7716172","8.6004","0.0003","10.6416","0.0005","12.0185","0.0006","64.023","0.005","77.255","0.004","84.618","0.004","964.46","0.09","160","1","160","1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H17 Cl4 N3 O Pd -","- C16 H17 Cl4 N3 O Pd -","- C32 H34 Cl8 N6 O2 Pd2 -","2","1","","Forooghi, Kimia; Amiri Rudbari, Hadi; Stagno, Claudio; Iraci, Nunzio; Cuevas-Vicario, José V; Kordestani, Nazanin; Schirmeister, Tanja; Efferth, Thomas; Omer, Ejlal A.; Moini, Nakisa; Aryaeifar, Mahnaz; Blacque, Olivier; Azadbakht, Reza; Micale, Nicola","Structural features and antiproliferative activity of Pd(II) complexes with halogenated ligands: a comparative study between Schiff base and reduced Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10571","10591","10.1039/d4dt00132j","","x-ray","0.71073","MoKα","","0.025","0.0203","","","0.0466","0.0494","","","","","","1.043","","","","has coordinates,has disorder","293076","2024-07-05","16:31:08",""
"7716173","8.6207","0.0002","10.6773","0.0002","11.9875","0.0003","114.694","0.002","98.595","0.002","96.125","0.002","973.51","0.04","160","1","160","1","","","","","","","","7","P -1","-P 1","2","","","","- C16 H17 Br Cl3 N3 O Pd -","- C16 H17 Br Cl3 N3 O Pd -","- C32 H34 Br2 Cl6 N6 O2 Pd2 -","2","1","","Forooghi, Kimia; Amiri Rudbari, Hadi; Stagno, Claudio; Iraci, Nunzio; Cuevas-Vicario, José V; Kordestani, Nazanin; Schirmeister, Tanja; Efferth, Thomas; Omer, Ejlal A.; Moini, Nakisa; Aryaeifar, Mahnaz; Blacque, Olivier; Azadbakht, Reza; Micale, Nicola","Structural features and antiproliferative activity of Pd(II) complexes with halogenated ligands: a comparative study between Schiff base and reduced Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10571","10591","10.1039/d4dt00132j","","x-ray","0.71073","MoKα","","0.0278","0.0235","","","0.0546","0.0557","","","","","","1.049","","","","has coordinates,has disorder","293076","2024-07-05","16:31:08",""
"7716174","12.1473","0.0001","13.601","0.0001","18.5936","0.0002","90","","101.468","0.001","90","","3010.62","0.05","123.01","0.1","123.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H44 Cr Fe P5 -","- C27 H44 Cr Fe P5 -","- C108 H176 Cr4 Fe4 P20 -","4","1","","Dinauer, Sabrina B.; Szlosek, Robert; Piesch, Martin; Balázs, Gábor; Reichl, Stephan; Prock, Lukas; Riesinger, Christoph; Walter, Marc D.; Scheer, Manfred","Homo- and heterobimetallic transition metal cluster derived from [Cp*Fe(η<sup>5</sup>-E<sub>5</sub>)] (E = P, As) - unprecedented structural motifs of the resulting polypnictogen ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10201","10207","10.1039/d4dt01160k","","","1.54184","CuKα","","0.0328","0.0318","","","0.09","0.0908","","","","","","1.026","","","","has coordinates","293001","2024-07-05","15:56:42",""
"7716175","12.1478","0.0001","13.553","0.0001","18.5913","0.0002","90","","101.65","0.001","90","","2997.8","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H44 Fe Mn P5 -","- C27 H44 Fe Mn P5 -","- C108 H176 Fe4 Mn4 P20 -","4","1","","Dinauer, Sabrina B.; Szlosek, Robert; Piesch, Martin; Balázs, Gábor; Reichl, Stephan; Prock, Lukas; Riesinger, Christoph; Walter, Marc D.; Scheer, Manfred","Homo- and heterobimetallic transition metal cluster derived from [Cp*Fe(η<sup>5</sup>-E<sub>5</sub>)] (E = P, As) - unprecedented structural motifs of the resulting polypnictogen ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10201","10207","10.1039/d4dt01160k","","x-ray","1.54184","CuKα","","0.0376","0.0345","","","0.0939","0.0962","","","","","","1.056","","","","has coordinates","293001","2024-07-05","15:56:42",""
"7716176","19.2342","0.0001","10.8786","0.0001","22.5564","0.0001","90","","106.642","0.001","90","","4522.03","0.06","123","0.1","123.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H73 Fe3 P5 -","- C44 H73 Fe3 P5 -","- C176 H292 Fe12 P20 -","4","1","","Dinauer, Sabrina B.; Szlosek, Robert; Piesch, Martin; Balázs, Gábor; Reichl, Stephan; Prock, Lukas; Riesinger, Christoph; Walter, Marc D.; Scheer, Manfred","Homo- and heterobimetallic transition metal cluster derived from [Cp*Fe(η<sup>5</sup>-E<sub>5</sub>)] (E = P, As) - unprecedented structural motifs of the resulting polypnictogen ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10201","10207","10.1039/d4dt01160k","","","1.54184","CuKα","","0.0254","0.0231","","","0.0609","0.0617","","","","","","1.08","","","","has coordinates","293001","2024-07-05","15:56:42",""
"7716177","19.3773","0.0002","10.8708","0.0001","22.7856","0.0002","90","","106.228","0.001","90","","4608.48","0.08","123","0.1","123.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H73 As5 Fe3 -","- C44 H73 As5 Fe3 -","- C176 H292 As20 Fe12 -","4","1","","Dinauer, Sabrina B.; Szlosek, Robert; Piesch, Martin; Balázs, Gábor; Reichl, Stephan; Prock, Lukas; Riesinger, Christoph; Walter, Marc D.; Scheer, Manfred","Homo- and heterobimetallic transition metal cluster derived from [Cp*Fe(η<sup>5</sup>-E<sub>5</sub>)] (E = P, As) - unprecedented structural motifs of the resulting polypnictogen ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10201","10207","10.1039/d4dt01160k","","","1.54184","CuKα","","0.0316","0.0268","","","0.0614","0.063","","","","","","1.052","","","","has coordinates","293001","2024-07-05","15:56:42",""
"7716178","12.4331","0.0002","12.5276","0.0002","17.9814","0.0003","72.591","0.001","70.595","0.001","64.918","0.002","2351.07","0.08","123.01","0.1","123.15","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H73 As5 Fe Ni2 -","- C44 H73 As5 Fe Ni2 -","- C88 H146 As10 Fe2 Ni4 -","2","1","","Dinauer, Sabrina B.; Szlosek, Robert; Piesch, Martin; Balázs, Gábor; Reichl, Stephan; Prock, Lukas; Riesinger, Christoph; Walter, Marc D.; Scheer, Manfred","Homo- and heterobimetallic transition metal cluster derived from [Cp*Fe(η<sup>5</sup>-E<sub>5</sub>)] (E = P, As) - unprecedented structural motifs of the resulting polypnictogen ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10201","10207","10.1039/d4dt01160k","","","1.54184","CuKα","","0.0265","0.026","","","0.0661","0.0663","","","","","","1.155","","","","has coordinates,has disorder","293001","2024-07-05","15:56:42",""
"7716179","19.5158","0.0002","10.8926","0.0001","22.9447","0.0002","90","","105.573","0.001","90","","4698.48","0.08","123","0.1","123.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H73 As5 Cr2 Fe -","- C44 H73 As5 Cr2 Fe -","- C176 H292 As20 Cr8 Fe4 -","4","1","","Dinauer, Sabrina B.; Szlosek, Robert; Piesch, Martin; Balázs, Gábor; Reichl, Stephan; Prock, Lukas; Riesinger, Christoph; Walter, Marc D.; Scheer, Manfred","Homo- and heterobimetallic transition metal cluster derived from [Cp*Fe(η<sup>5</sup>-E<sub>5</sub>)] (E = P, As) - unprecedented structural motifs of the resulting polypnictogen ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10201","10207","10.1039/d4dt01160k","","","1.54184","CuKα","","0.0296","0.0278","","","0.0717","0.0725","","","","","","1.059","","","","has coordinates,has disorder","293001","2024-07-05","15:56:42",""
"7716180","14.914","0.0006","19.2206","0.0009","19.5632","0.0009","63.886","0.004","79.623","0.004","72.65","0.004","4798.5","0.4","122.98","0.1","122.98","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C80 H73 Ag Al F46 Fe Ni2 O3 P5 -","- C80 H73 Ag Al F46 Fe Ni2 O3 P5 -","- C160 H146 Ag2 Al2 F92 Fe2 Ni4 O6 P10 -","2","1","","Dinauer, Sabrina B.; Szlosek, Robert; Piesch, Martin; Balázs, Gábor; Reichl, Stephan; Prock, Lukas; Riesinger, Christoph; Walter, Marc D.; Scheer, Manfred","Homo- and heterobimetallic transition metal cluster derived from [Cp*Fe(η<sup>5</sup>-E<sub>5</sub>)] (E = P, As) - unprecedented structural motifs of the resulting polypnictogen ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10201","10207","10.1039/d4dt01160k","","x-ray","1.54184","CuKα","","0.0314","0.0254","","","0.0583","0.0593","","","","","","0.902","","","","has coordinates","293001","2024-07-05","15:56:42",""
"7716181","5.1525","0.0005","19.8591","0.0017","10.2293","0.0012","90","","91.095","0.009","90","","1046.51","0.18","291.4","0.7","291.4","0.7","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Ba2 F6 Ga2 I O7 P -","- Ba2 F6 Ga2 I O7 P -","- Ba8 F24 Ga8 I4 O28 P4 -","4","1","","Xu, Miao-Bin; Li, Jia-Jia; Wu, Huai-Yu; Ma, Nan; Yu, Ning; Zhuo, Mo-Fan; Chen, Jin; Du, Ke-Zhao","Ba<sub>2</sub>Ga<sub>2</sub>F<sub>6</sub>(IO<sub>3</sub>)(PO<sub>4</sub>): the first fluoride-containing iodate-phosphate with a 1D [Ga<sub>2</sub>F<sub>6</sub>(IO<sub>3</sub>)(PO<sub>4</sub>)]<sup>4-</sup> helix chain.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10536","10543","10.1039/d3dt04343f","","x-ray","0.71073","MoKα","","0.0408","0.031","","","0.0627","0.067","","","","","","1.035","","","","has coordinates","293071","2024-07-05","16:26:45",""
"7716182","18.7643","0.0007","17.8153","0.0007","20.5885","0.0006","90","","90","","90","","6882.6","0.4","250","","250","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C41 H46 N2 -","- C41 H46 N2 -","- C328 H368 N16 -","8","1","","Parra-Cadenas, Blanca; Ginés, Carlos; García-Vivó, Daniel; Elorriaga, David; Carrillo-Hermosilla, Fernando","Zinc amidinate-catalysed cyclization reaction of carbodiimides and alkynes. An insight into the mechanism.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10050","10054","10.1039/d4dt01265h","","","0.71073","MoKα","","0.0646","0.0427","","","0.1055","0.1197","","","","","","1.03","","","","has coordinates","292995","2024-07-05","15:51:35",""
"7716183","12.3909","0.0002","15.7998","0.0003","13.9004","0.0002","90","","99.625","0.002","90","","2683.03","0.08","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33 H30 N2 -","- C33 H30 N2 -","- C132 H120 N8 -","4","1","","Parra-Cadenas, Blanca; Ginés, Carlos; García-Vivó, Daniel; Elorriaga, David; Carrillo-Hermosilla, Fernando","Zinc amidinate-catalysed cyclization reaction of carbodiimides and alkynes. An insight into the mechanism.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10050","10054","10.1039/d4dt01265h","","x-ray","1.54184","CuKα","","0.0481","0.0429","","","0.1224","0.1293","","","","","","1.035","","","","has coordinates,has disorder","292995","2024-07-05","15:51:35",""
"7716184","20.6268","0.0007","16.0836","0.0006","18.5709","0.0006","90","","90","","90","","6161","0.4","250","","250","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C264 H312 N16 Zn4 -","- C264 H312 N16 Zn4 -","- C264 H312 N16 Zn4 -","1","0.125","","Parra-Cadenas, Blanca; Ginés, Carlos; García-Vivó, Daniel; Elorriaga, David; Carrillo-Hermosilla, Fernando","Zinc amidinate-catalysed cyclization reaction of carbodiimides and alkynes. An insight into the mechanism.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10050","10054","10.1039/d4dt01265h","","","0.71073","MoKα","","0.1392","0.0805","","","0.2314","0.2956","","","","","","1.049","","","","has coordinates,has disorder","292995","2024-07-05","15:51:35",""
"7716185","9.426","0.002","10.912","0.002","21.672","0.005","102.253","0.003","97.132","0.003","103.187","0.003","2085.7","0.8","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C49 H56 N2 O2 -","- C49 H56 N2 O2 -","- C98 H112 N4 O4 -","2","1","","Parra-Cadenas, Blanca; Ginés, Carlos; García-Vivó, Daniel; Elorriaga, David; Carrillo-Hermosilla, Fernando","Zinc amidinate-catalysed cyclization reaction of carbodiimides and alkynes. An insight into the mechanism.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10050","10054","10.1039/d4dt01265h","","","0.71073","MoKα","","0.1216","0.0588","","","0.143","0.1779","","","","","","1.017","","","","has coordinates,has disorder","292995","2024-07-05","15:51:35",""
"7716186","7.122","0.003","8.016","0.003","12.208","0.005","107.639","0.015","92.822","0.016","111.661","0.012","607","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H7 I O2 Se -","- C14 H7 I O2 Se -","- C28 H14 I2 O4 Se2 -","2","1","","Ogawa, Naoki; Suzuki, Nobuhiro; Katsura, Yoshifumi; Minoura, Mao; Nakanishi, Waro; Hayashi, Satoko","Extremely stable system of 1-haloselanyl-anthraquinones: experimental and theoretical investigations.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10099","10112","10.1039/d4dt00760c","","","0.71073","MoKα","","0.0289","0.0266","","","0.0752","0.0769","","","","","","1.3","","","","has coordinates","293006","2024-07-05","15:57:58",""
"7716187","7.7673","0.0008","3.9545","0.0004","16.7397","0.0017","90","","94.654","0.004","90","","512.48","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H7 Br O2 -","- C14 H7 Br O2 -","- C28 H14 Br2 O4 -","2","1","","Ogawa, Naoki; Suzuki, Nobuhiro; Katsura, Yoshifumi; Minoura, Mao; Nakanishi, Waro; Hayashi, Satoko","Extremely stable system of 1-haloselanyl-anthraquinones: experimental and theoretical investigations.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10099","10112","10.1039/d4dt00760c","","","0.71073","MoKα","","0.036","0.0298","","","0.0661","0.0689","","","","","","1.087","","","","has coordinates","293006","2024-07-05","15:57:58",""
"7716188","7.163","0.003","7.945","0.002","11.682","0.004","72.824","0.019","86.44","0.02","65.249","0.014","575.4","0.4","293","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H7 Br O2 Se -","- C14 H7 Br O2 Se -","- C28 H14 Br2 O4 Se2 -","2","1","","Ogawa, Naoki; Suzuki, Nobuhiro; Katsura, Yoshifumi; Minoura, Mao; Nakanishi, Waro; Hayashi, Satoko","Extremely stable system of 1-haloselanyl-anthraquinones: experimental and theoretical investigations.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10099","10112","10.1039/d4dt00760c","","","0.71069","MoKα","","0.0374","0.0322","","","0.0911","0.0938","","","","","","0.534","","","","has coordinates","293006","2024-07-05","15:57:58",""
"7716189","7.5235","0.0004","5.1014","0.0003","29.9257","0.0019","90","","95.997","0.002","90","","1142.27","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 O2 Se -","- C15 H10 O2 Se -","- C60 H40 O8 Se4 -","4","1","","Ogawa, Naoki; Suzuki, Nobuhiro; Katsura, Yoshifumi; Minoura, Mao; Nakanishi, Waro; Hayashi, Satoko","Extremely stable system of 1-haloselanyl-anthraquinones: experimental and theoretical investigations.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10099","10112","10.1039/d4dt00760c","","","0.71073","MoKα","","0.0294","0.0257","","","0.0637","0.0657","","","","","","1.097","","","","has coordinates","293006","2024-07-05","15:57:58",""
"7716190","8.4093","0.00012","10.12355","0.00016","30.4576","0.0003","90","","91.8422","0.0012","90","","2591.58","0.06","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 In2 N6 O20 P2 -","- C16 H22 In2 N6 O20 P2 -","- C64 H88 In8 N24 O80 P8 -","4","1","","Li, Ying; Wang, Yulin; Cheng, Juan; Huang, Ling; Gao, Daojiang; Zou, Guohong; Zhao, Yan; Lin, Zhien","Two histidine-templated metal phosphate-oxalates: solvent-free synthesis, luminescence, and proton-conducting properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9675","9679","10.1039/d4dt01217h","","x-ray","1.54184","CuKα","","0.0648","0.056","","","0.1445","0.1532","","","","","","1.064","","","","has coordinates","293129","2024-07-05","16:53:00",""
"7716191","7.9866","0.0005","9.6052","0.0005","10.7764","0.0006","89.094","0.004","89.075","0.005","87.698","0.005","825.82","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H26 Ga2 N6 O28 P2 -","- C20 H26 Ga2 N6 O28 P2 -","- C20 H26 Ga2 N6 O28 P2 -","1","0.5","","Li, Ying; Wang, Yulin; Cheng, Juan; Huang, Ling; Gao, Daojiang; Zou, Guohong; Zhao, Yan; Lin, Zhien","Two histidine-templated metal phosphate-oxalates: solvent-free synthesis, luminescence, and proton-conducting properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9675","9679","10.1039/d4dt01217h","","x-ray","1.54184","CuKα","","0.0549","0.0515","","","0.1353","0.141","","","","","","1.059","","","","has coordinates","293129","2024-07-05","16:53:00",""
"7716192","9.4279","0.0003","9.5623","0.0003","10.3638","0.0003","102.086","0.002","108.255","0.002","92.847","0.002","860.92","0.05","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 Cl4 O2 P2 Ti -","- C36 H30 Cl4 O2 P2 Ti -","- C36 H30 Cl4 O2 P2 Ti -","1","0.5","","Seno, Carlotta; Pokratath, Rohan; Unniram Parambil, Ajmal Roshan; Van den Eynden, Dietger; Dhaene, Evert; Prescimone, Alessandro; De Roo, Jonathan","Complexation and disproportionation of group 4 metal (alkoxy) halides with phosphine oxides.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9862","9873","10.1039/d4dt01299b","","x-ray","1.54186","CuKα","","0.0925","0.0832","","","0.1865","0.1991","","","","","","0.916","","","","has coordinates","293136","2024-07-05","16:56:28",""
"7716193","7.142","0.0007","7.5304","0.0008","8.0799","0.0008","87.085","0.008","68.311","0.008","71.788","0.008","382.53","0.07","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H16 Br4 O2 Zr -","- C8 H16 Br4 O2 Zr -","- C8 H16 Br4 O2 Zr -","1","0.5","","Seno, Carlotta; Pokratath, Rohan; Unniram Parambil, Ajmal Roshan; Van den Eynden, Dietger; Dhaene, Evert; Prescimone, Alessandro; De Roo, Jonathan","Complexation and disproportionation of group 4 metal (alkoxy) halides with phosphine oxides.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9862","9873","10.1039/d4dt01299b","","x-ray","1.54186","CuKα","","0.1156","0.0846","","","0.1752","0.1949","","","","","","1.1","","","","has coordinates","293136","2024-07-05","16:56:28",""
"7716194","9.4661","0.0004","9.5612","0.0004","10.5356","0.0004","101.126","0.003","107.899","0.003","92.429","0.003","885.05","0.07","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 Cl4 O2 P2 Zr -","- C36 H30 Cl4 O2 P2 Zr -","- C36 H30 Cl4 O2 P2 Zr -","1","0.5","","Seno, Carlotta; Pokratath, Rohan; Unniram Parambil, Ajmal Roshan; Van den Eynden, Dietger; Dhaene, Evert; Prescimone, Alessandro; De Roo, Jonathan","Complexation and disproportionation of group 4 metal (alkoxy) halides with phosphine oxides.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9862","9873","10.1039/d4dt01299b","","x-ray","1.54186","GaKα","","0.0979","0.084","","","0.1668","0.182","","","","","","0.903","","","","has coordinates","293136","2024-07-05","16:56:28",""
"7716195","9.4917","0.0003","9.5535","0.0003","10.5075","0.0003","101.253","0.002","108","0.002","92.173","0.003","883.81","0.05","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 Cl4 Hf O2 P2 -","- C36 H30 Cl4 Hf O2 P2 -","- C36 H30 Cl4 Hf O2 P2 -","1","0.5","","Seno, Carlotta; Pokratath, Rohan; Unniram Parambil, Ajmal Roshan; Van den Eynden, Dietger; Dhaene, Evert; Prescimone, Alessandro; De Roo, Jonathan","Complexation and disproportionation of group 4 metal (alkoxy) halides with phosphine oxides.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9862","9873","10.1039/d4dt01299b","","x-ray","1.54186","CuKα","","0.071","0.0661","","","0.1514","0.1588","","","","","","1.036","","","","has coordinates","293136","2024-07-05","16:56:28",""
"7716196","9.998","0.0003","15.5366","0.0005","11.8659","0.0003","90","","100.875","0.002","90","","1810.09","0.09","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H30 Br4 O2 P2 Zr -","- C36 H30 Br4 O2 P2 Zr -","- C72 H60 Br8 O4 P4 Zr2 -","2","1","","Seno, Carlotta; Pokratath, Rohan; Unniram Parambil, Ajmal Roshan; Van den Eynden, Dietger; Dhaene, Evert; Prescimone, Alessandro; De Roo, Jonathan","Complexation and disproportionation of group 4 metal (alkoxy) halides with phosphine oxides.","Dalton transactions (Cambridge, England : 2003)","2024","53","23","9862","9873","10.1039/d4dt01299b","","x-ray","1.54186","CuKα","","0.1117","0.0938","","","0.2181","0.2455","","","","","","1.091","","","","has coordinates","293136","2024-07-05","16:56:28",""
"7716197","9.3611","0.0004","12.8811","0.0006","14.916","0.0007","97.778","0.002","103.185","0.002","90.545","0.002","1733.55","0.14","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C78 H96 N2 Ni2 P4 -","- C78 H96 N2 Ni2 P4 -","- C78 H96 N2 Ni2 P4 -","1","0.5","","Park, Sanha; Seo, Mi Sook; Kim, Mingi; Lee, Kang Mun; Graham, Peter M.; Lee, Yunho","Reactivity of low-valent nickel carbonyl species supported by acridane based PNP ligands towards iodoalkanes.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10120","10125","10.1039/d4dt01022a","","","0.71073","MoKα","","0.0706","0.0445","","","0.0997","0.1218","","","","","","1.112","","","","has coordinates","292998","2024-07-05","15:53:38",""
"7716198","8.6902","0.0004","20.5325","0.0008","21.3234","0.0009","90","","96.697","0.002","90","","3778.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C85 H108 N2 Ni2 O2 P4 -","- C85 H108 N2 Ni2 O2 P4 -","- C170 H216 N4 Ni4 O4 P8 -","2","0.5","","Park, Sanha; Seo, Mi Sook; Kim, Mingi; Lee, Kang Mun; Graham, Peter M.; Lee, Yunho","Reactivity of low-valent nickel carbonyl species supported by acridane based PNP ligands towards iodoalkanes.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10120","10125","10.1039/d4dt01022a","","","0.71073","MoKα","","0.0588","0.0425","","","0.1073","0.1229","","","","","","1.071","","","","has coordinates,has disorder","292998","2024-07-05","15:53:39",""
"7716199","16.1142","0.0009","20.8043","0.001","20.6341","0.0011","90","","96.543","0.002","90","","6872.4","0.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H80 N Na Ni O9 P2 -","- C56 H80 N Na Ni O9 P2 -","- C224 H320 N4 Na4 Ni4 O36 P8 -","4","1","","Park, Sanha; Seo, Mi Sook; Kim, Mingi; Lee, Kang Mun; Graham, Peter M.; Lee, Yunho","Reactivity of low-valent nickel carbonyl species supported by acridane based PNP ligands towards iodoalkanes.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10120","10125","10.1039/d4dt01022a","","","0.71073","MoKα","","0.1394","0.0762","","","0.1683","0.1947","","","","","","1.023","","","","has coordinates,has disorder","292998","2024-07-05","15:53:39",""
"7716200","9.3589","0.0006","32.023","0.003","11.887","0.0009","90","","90.344","0.003","90","","3562.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H50 Br N Ni P2 -","- C39 H48 Br N Ni P2 -","- C156 H192 Br4 N4 Ni4 P8 -","4","1","","Park, Sanha; Seo, Mi Sook; Kim, Mingi; Lee, Kang Mun; Graham, Peter M.; Lee, Yunho","Reactivity of low-valent nickel carbonyl species supported by acridane based PNP ligands towards iodoalkanes.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10120","10125","10.1039/d4dt01022a","","","0.71073","MoKα","","0.0786","0.0396","","","0.0839","0.1125","","","","","","1.305","","","","has coordinates","292998","2024-07-05","15:53:39",""
"7716201","10.3358","0.001","11.1063","0.001","30.191","0.003","90","","90","","90","","3465.7","0.6","273","2","273","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C8 H18 O4 Ru S6 -","- C8 H12 O4 Ru S6 -","- C64 H96 O32 Ru8 S48 -","8","0.5","","Chandra, Anushri; Basu, Pousali; Raha, Shreya; Dhibar, Papu; Bhattacharya, Samaresh","Development of ruthenium complexes with S-donor ligands for application in synthesis, catalytic acceptorless alcohol dehydrogenation and crossed-aldol condensation.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10675","10685","10.1039/d4dt00985a","","","0.71073","MoKα","","0.0418","0.038","","","0.1389","0.1466","","","","","","1.225","","","","has coordinates","293081","2024-07-05","16:33:16",""
"7716202","13.9281","0.0011","16.4456","0.0013","9.3353","0.0008","90","","94.318","0.002","90","","2132.2","0.3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H26 O4 Ru S6 -","- C12 H26 O4 Ru S6 -","- C48 H104 O16 Ru4 S24 -","4","0.5","","Chandra, Anushri; Basu, Pousali; Raha, Shreya; Dhibar, Papu; Bhattacharya, Samaresh","Development of ruthenium complexes with S-donor ligands for application in synthesis, catalytic acceptorless alcohol dehydrogenation and crossed-aldol condensation.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10675","10685","10.1039/d4dt00985a","","","0.71073","MoKα","","0.0307","0.0186","","","0.0894","0.1134","","","","","","1.055","","","","has coordinates","293081","2024-07-05","16:33:26",""
"7716203","7.4066","0.0005","34.011","0.002","6.1761","0.0004","90","","90","","90","","1555.8","0.17","273","2","273","2","","","","","","","","3","A e a 2","A 2 -2ab","41","","","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","0.5","","Chandra, Anushri; Basu, Pousali; Raha, Shreya; Dhibar, Papu; Bhattacharya, Samaresh","Development of ruthenium complexes with S-donor ligands for application in synthesis, catalytic acceptorless alcohol dehydrogenation and crossed-aldol condensation.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10675","10685","10.1039/d4dt00985a","","","0.71073","MoKα","","0.1322","0.1111","","","0.2414","0.252","","","","","","1.445","","","","has coordinates","293081","2024-07-05","16:33:26",""
"7716204","12.6625","0.0004","11.482","0.0004","16.5225","0.0006","90","","105.703","0.001","90","","2312.56","0.14","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 N2 O2 Ru S4 -","- C18 H22 N2 O2 Ru S4 -","- C72 H88 N8 O8 Ru4 S16 -","4","1","","Chandra, Anushri; Basu, Pousali; Raha, Shreya; Dhibar, Papu; Bhattacharya, Samaresh","Development of ruthenium complexes with S-donor ligands for application in synthesis, catalytic acceptorless alcohol dehydrogenation and crossed-aldol condensation.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10675","10685","10.1039/d4dt00985a","","","0.71073","MoKα","","0.0411","0.0281","","","0.0992","0.1203","","","","","","0.975","","","","has coordinates","293081","2024-07-05","16:33:26",""
"7716205","11.6867","0.0016","11.6375","0.0016","29.571","0.004","90","","90","","90","","4021.8","1","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H22 O4 Ru S6 -","- C10 H22 O4 Ru S6 -","- C80 H176 O32 Ru8 S48 -","8","1","","Chandra, Anushri; Basu, Pousali; Raha, Shreya; Dhibar, Papu; Bhattacharya, Samaresh","Development of ruthenium complexes with S-donor ligands for application in synthesis, catalytic acceptorless alcohol dehydrogenation and crossed-aldol condensation.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10675","10685","10.1039/d4dt00985a","","","0.71073","MoKα","","0.0479","0.0385","","","0.1351","0.1444","","","","","","1.155","","","","has coordinates","293081","2024-07-05","16:33:26",""
"7716206","10.3525","0.0007","11.1613","0.0008","30.316","0.002","90","","90","","90","","3502.9","0.4","273","2","273.15","","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C10 H12 O4 Ru S6 -","- C10 H12 O4 Ru S6 -","- C80 H96 O32 Ru8 S48 -","8","0.5","","Chandra, Anushri; Basu, Pousali; Raha, Shreya; Dhibar, Papu; Bhattacharya, Samaresh","Development of ruthenium complexes with S-donor ligands for application in synthesis, catalytic acceptorless alcohol dehydrogenation and crossed-aldol condensation.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10675","10685","10.1039/d4dt00985a","","","0.71073","MoKα","","0.0498","0.0404","","","0.0735","0.081","","","","","","1.0804","","","","has coordinates","293081","2024-07-05","16:33:26",""
"7716207","17.25","0.0003","9.8245","0.0002","16.8597","0.0003","90","","105.972","0.002","90","","2746.96","0.09","300.5","0.8","300.5","0.8","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Cl2 Fe N6 O8 S6 -","- C18 H12 Cl2 Fe N6 O8 S6 -","- C72 H48 Cl8 Fe4 N24 O32 S24 -","4","0.5","","Jo, Minyoung; Amanyazova, Botagoz; Yergeshbayeva, Sandugash; Gakiya-Teruya, Miguel; Üngör, Ökten; Lopez Rivera, Paola; Jen, Natalie; Lukyanenko, Evgeny; Kurkin, Alexander V.; Erkasov, Rakhmetulla; Meisel, Mark W.; Hauser, Andreas; Chakraborty, Pradip; Shatruk, Michael","Light-induced spin-state switching in Fe(II) spin-crossover complexes with thiazole-based chelating ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10511","10520","10.1039/d4dt00308j","","x-ray","1.54184","CuKα","","0.0419","0.0392","","","0.1074","0.1095","","","","","","1.068","","","","has coordinates","293080","2024-07-05","16:32:44",""
"7716208","14.9806","0.0006","15.561","0.0006","17.7708","0.0007","90","","90","","90","","4142.6","0.3","230","0.1","230","0.1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C30 H25 Cl2 Fe N15 O8 S5 -","- C30 H25 Cl2 Fe N15 O8 S5 -","- C120 H100 Cl8 Fe4 N60 O32 S20 -","4","0.5","","Jo, Minyoung; Amanyazova, Botagoz; Yergeshbayeva, Sandugash; Gakiya-Teruya, Miguel; Üngör, Ökten; Lopez Rivera, Paola; Jen, Natalie; Lukyanenko, Evgeny; Kurkin, Alexander V.; Erkasov, Rakhmetulla; Meisel, Mark W.; Hauser, Andreas; Chakraborty, Pradip; Shatruk, Michael","Light-induced spin-state switching in Fe(II) spin-crossover complexes with thiazole-based chelating ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10511","10520","10.1039/d4dt00308j","","x-ray","0.71073","MoKα","","0.0623","0.0456","","","0.1108","0.1183","","","","","","1.072","","","","has coordinates,has disorder","293080","2024-07-05","16:32:45",""
"7716209","9.7737","0.0002","22.8666","0.0004","13.2827","0.0003","90","","90.522","0.002","90","","2968.44","0.1","300","0.13","300","0.13","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 Cl2 Fe N6 O9 S6 -","- C19 H16 Cl2 Fe N6 O9 S6 -","- C76 H64 Cl8 Fe4 N24 O36 S24 -","4","1","","Jo, Minyoung; Amanyazova, Botagoz; Yergeshbayeva, Sandugash; Gakiya-Teruya, Miguel; Üngör, Ökten; Lopez Rivera, Paola; Jen, Natalie; Lukyanenko, Evgeny; Kurkin, Alexander V.; Erkasov, Rakhmetulla; Meisel, Mark W.; Hauser, Andreas; Chakraborty, Pradip; Shatruk, Michael","Light-induced spin-state switching in Fe(II) spin-crossover complexes with thiazole-based chelating ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10511","10520","10.1039/d4dt00308j","","x-ray","0.71073","MoKα","","0.0436","0.0352","","","0.0959","0.1011","","","","","","1.067","","","","has coordinates","293080","2024-07-05","16:32:45",""
"7716210","15.02","0.0009","15.627","0.0011","17.7918","0.0012","90","","90","","90","","4176","0.5","298","1","298","1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C30 H25 Cl2 Fe N15 O8 S5 -","- C30 H25 Cl2 Fe N15 O8 S5 -","- C120 H100 Cl8 Fe4 N60 O32 S20 -","4","0.5","","Jo, Minyoung; Amanyazova, Botagoz; Yergeshbayeva, Sandugash; Gakiya-Teruya, Miguel; Üngör, Ökten; Lopez Rivera, Paola; Jen, Natalie; Lukyanenko, Evgeny; Kurkin, Alexander V.; Erkasov, Rakhmetulla; Meisel, Mark W.; Hauser, Andreas; Chakraborty, Pradip; Shatruk, Michael","Light-induced spin-state switching in Fe(II) spin-crossover complexes with thiazole-based chelating ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10511","10520","10.1039/d4dt00308j","","x-ray","0.71073","MoKα","","0.0959","0.0433","","","0.1098","0.1306","","","","","","1.019","","","","has coordinates,has disorder","293080","2024-07-05","16:32:45",""
"7716211","9.9078","0.0001","21.8512","0.0003","12.7772","0.0002","90","","90.013","0.001","90","","2766.23","0.06","100","0.2","100","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 Cl2 Fe N6 O9 S6 -","- C19 H16 Cl2 Fe N6 O9 S6 -","- C76 H64 Cl8 Fe4 N24 O36 S24 -","4","1","","Jo, Minyoung; Amanyazova, Botagoz; Yergeshbayeva, Sandugash; Gakiya-Teruya, Miguel; Üngör, Ökten; Lopez Rivera, Paola; Jen, Natalie; Lukyanenko, Evgeny; Kurkin, Alexander V.; Erkasov, Rakhmetulla; Meisel, Mark W.; Hauser, Andreas; Chakraborty, Pradip; Shatruk, Michael","Light-induced spin-state switching in Fe(II) spin-crossover complexes with thiazole-based chelating ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10511","10520","10.1039/d4dt00308j","","x-ray","0.71073","MoKα","","0.0578","0.0495","","","0.1031","0.107","","","","","","1.177","","","","has coordinates","293080","2024-07-05","16:32:45",""
"7716212","9.7514","0.0002","22.6547","0.0003","13.1878","0.0002","90","","90.54","0.001","90","","2913.25","0.08","230","0.1","230","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 Cl2 Fe N6 O9 S6 -","- C19 H16 Cl2 Fe N6 O9 S6 -","- C76 H64 Cl8 Fe4 N24 O36 S24 -","4","1","","Jo, Minyoung; Amanyazova, Botagoz; Yergeshbayeva, Sandugash; Gakiya-Teruya, Miguel; Üngör, Ökten; Lopez Rivera, Paola; Jen, Natalie; Lukyanenko, Evgeny; Kurkin, Alexander V.; Erkasov, Rakhmetulla; Meisel, Mark W.; Hauser, Andreas; Chakraborty, Pradip; Shatruk, Michael","Light-induced spin-state switching in Fe(II) spin-crossover complexes with thiazole-based chelating ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10511","10520","10.1039/d4dt00308j","","x-ray","0.71073","MoKα","","0.0341","0.0289","","","0.0757","0.0787","","","","","","1.046","","","","has coordinates","293080","2024-07-05","16:32:45",""
"7716213","17.8075","0.0006","15.1011","0.0003","44.5307","0.0008","90","","90","","90","","11974.9","0.5","99.9","0.3","99.9","0.3","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C30 H25 Cl2 Fe N15 O8 S5 -","- C30 H25 Cl2 Fe N15 O8 S5 -","- C360 H300 Cl24 Fe12 N180 O96 S60 -","12","3","","Jo, Minyoung; Amanyazova, Botagoz; Yergeshbayeva, Sandugash; Gakiya-Teruya, Miguel; Üngör, Ökten; Lopez Rivera, Paola; Jen, Natalie; Lukyanenko, Evgeny; Kurkin, Alexander V.; Erkasov, Rakhmetulla; Meisel, Mark W.; Hauser, Andreas; Chakraborty, Pradip; Shatruk, Michael","Light-induced spin-state switching in Fe(II) spin-crossover complexes with thiazole-based chelating ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10511","10520","10.1039/d4dt00308j","","x-ray","0.71073","MoKα","","0.158","0.1494","","","0.4148","0.4222","","","","","","1.853","","","","has coordinates,has disorder","293080","2024-07-05","16:32:45",""
"7716214","7.132","0.003","8.627","0.004","12.649","0.006","69.79","0.04","75.84","0.04","78.74","0.04","702.9","0.6","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","dichloro-bis(4-Formyl-5-methylimidazole-N,O)-cadmium(II)","","- C10 H12 Cd Cl2 N4 O2 -","- C10 H12 Cd Cl2 N4 O2 -","- C20 H24 Cd2 Cl4 N8 O4 -","2","1","","Kowalik, Mateusz; Nowicka, Paulina; Brzeski, Jakub; Żukowska, Natalia; Masternak, Joanna; Kazimierczuk, Katarzyna; Makowski, Mariusz","Exploring novel Cd(II) complexes with 5-methyl-4-imidazolecarboxaldehyde: synthesis, structure, computational insights, and affinity to DNA through switchSense methodology.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10347","10360","10.1039/d4dt00879k","","x-ray","0.71073","MoKα","","0.0649","0.0561","","","0.1532","0.1604","","","","","","1.054","","","","has coordinates","292993","2024-07-05","15:50:49",""
"7716215","7.1894","0.0006","7.6975","0.0009","26.177","0.003","90","","97.113","0.008","90","","1437.5","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","dibromo-bis(4-Formyl-5-methylimidazole-N,O)-cadmium(II)","","- C10 H12 Br2 Cd N4 O2 -","- C10 H12 Br2 Cd N4 O2 -","- C40 H48 Br8 Cd4 N16 O8 -","4","1","","Kowalik, Mateusz; Nowicka, Paulina; Brzeski, Jakub; Żukowska, Natalia; Masternak, Joanna; Kazimierczuk, Katarzyna; Makowski, Mariusz","Exploring novel Cd(II) complexes with 5-methyl-4-imidazolecarboxaldehyde: synthesis, structure, computational insights, and affinity to DNA through switchSense methodology.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10347","10360","10.1039/d4dt00879k","","x-ray","0.71073","MoKα","","0.033","0.0266","","","0.0645","0.0671","","","","","","1.024","","","","has coordinates","292993","2024-07-05","15:50:50",""
"7716216","18.2229","0.0018","7.8751","0.0006","15.11","0.0015","90","","130.501","0.006","90","","1648.8","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","diiodo-bis(4-Formyl-5-methylimidazole-N,O)-cadmium(II)","","- C10 H12 Cd I2 N4 O2 -","- C10 H12 Cd I2 N4 O2 -","- C40 H48 Cd4 I8 N16 O8 -","4","0.5","","Kowalik, Mateusz; Nowicka, Paulina; Brzeski, Jakub; Żukowska, Natalia; Masternak, Joanna; Kazimierczuk, Katarzyna; Makowski, Mariusz","Exploring novel Cd(II) complexes with 5-methyl-4-imidazolecarboxaldehyde: synthesis, structure, computational insights, and affinity to DNA through switchSense methodology.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10347","10360","10.1039/d4dt00879k","","x-ray","0.71073","MoKα","","0.0276","0.0262","","","0.0695","0.0704","","","","","","1.096","","","","has coordinates","292993","2024-07-05","15:50:50",""
"7716217","26.8364","0.0012","26.8364","0.0012","19.1349","0.0009","90","","90","","90","","13780.8","1.1","120","2","120","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","tetrakis(4-Formyl-5-methylimidazole-N,O)-cadmium(II)bis(haxafluorophosphate)trihydrate","","- C20 H28.63 Cd F12 N8 O6.31 P2 -","- C20 H28.628 Cd F12 N8 O6.314 P2 -","- C320 H458.048 Cd16 F192 N128 O101.024 P32 -","16","1","","Kowalik, Mateusz; Nowicka, Paulina; Brzeski, Jakub; Żukowska, Natalia; Masternak, Joanna; Kazimierczuk, Katarzyna; Makowski, Mariusz","Exploring novel Cd(II) complexes with 5-methyl-4-imidazolecarboxaldehyde: synthesis, structure, computational insights, and affinity to DNA through switchSense methodology.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10347","10360","10.1039/d4dt00879k","","x-ray","0.71073","MoKα","","0.0531","0.0467","","","0.1325","0.1381","","","","","","1.052","","","","has coordinates,has disorder","292993","2024-07-05","15:50:50",""
"7716218","13.3105","0.0006","15.4573","0.0006","30.3266","0.0012","90","","90","","90","","6239.5","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C56 H84 N4 O Si5 Te2 -","- C56 H84 N4 O Si5 Te2 -","- C224 H336 N16 O4 Si20 Te8 -","4","1","","Liu, Chenghuan; Schmidtmann, Marc; Müller, Thomas","A Bis(silylene)silole - synthesis, properties and reactivity.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10446","10452","10.1039/d4dt01112k","","","1.54178","CuKα","","0.0281","0.0269","","","0.0653","0.066","","","","","","1.056","","","","has coordinates","293079","2024-07-05","16:32:00",""
"7716219","13.6292","0.0007","15.0182","0.0008","15.9881","0.0008","82.885","0.002","80.451","0.002","75.486","0.002","3112.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H89 N4 O1.5 S2 Si5 -","- C58 H89 N4 O1.5 S2 Si5 -","- C116 H178 N8 O3 S4 Si10 -","2","1","","Liu, Chenghuan; Schmidtmann, Marc; Müller, Thomas","A Bis(silylene)silole - synthesis, properties and reactivity.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10446","10452","10.1039/d4dt01112k","","","0.71073","MoKα","","0.0674","0.0545","","","0.1314","0.1383","","","","","","1.098","","","","has coordinates,has disorder","293079","2024-07-05","16:32:08",""
"7716220","13.1877","0.0004","15.3176","0.0005","16.4228","0.0005","112.263","0.0012","90.2282","0.0011","95.8902","0.0011","3050.66","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H89 N4 O1.5 Si5 -","- C58 H89 N4 O1.5 Si5 -","- C116 H178 N8 O3 Si10 -","2","1","","Liu, Chenghuan; Schmidtmann, Marc; Müller, Thomas","A Bis(silylene)silole - synthesis, properties and reactivity.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10446","10452","10.1039/d4dt01112k","","","0.71073","MoKα","","0.0599","0.0503","","","0.1112","0.1158","","","","","","1.098","","","","has coordinates,has disorder","293079","2024-07-05","16:32:08",""
"7716221","12.3959","0.0004","15.5019","0.0006","21.2307","0.0008","90","","99.0856","0.0012","90","","4028.5","0.3","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C88 H108 D12 N6 Si5 -","- C88 H108 D12 N6 Si5 -","- C176 H216 D24 N12 Si10 -","2","0.5","","Liu, Chenghuan; Schmidtmann, Marc; Müller, Thomas","A Bis(silylene)silole - synthesis, properties and reactivity.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10446","10452","10.1039/d4dt01112k","","","0.71073","MoKα","","0.0411","0.0358","","","0.0944","0.0978","","","","","","1.063","","","","has coordinates","293079","2024-07-05","16:32:08",""
"7716222","13.3426","0.0006","23.719","0.001","22.8201","0.0009","90","","98.6421","0.0015","90","","7140","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H106 N4 O4 Se2 Si5 -","- C68 H106 N4 O4 Se2 Si5 -","- C272 H424 N16 O16 Se8 Si20 -","4","1","","Liu, Chenghuan; Schmidtmann, Marc; Müller, Thomas","A Bis(silylene)silole - synthesis, properties and reactivity.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10446","10452","10.1039/d4dt01112k","","","0.71073","MoKα","","0.0454","0.0366","","","0.0944","0.0996","","","","","","1.046","","","","has coordinates,has disorder","293079","2024-07-05","16:32:08",""
"7716223","10.8048","0.0016","12.4139","0.0017","30.85","0.006","90","","90","","90","","4137.9","1.2","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H55 N2 O4 Sc Si2 -","- C41 H55 N2 O4 Sc Si2 -","- C164 H220 N8 O16 Sc4 Si8 -","4","1","","You, Shuhao; Shi, Wenyu; Ouyang, Ruoxue; Wang, Yang; Shi, Xiaochao","Synthesis of bis(oxazoline)-based rare-earth metal complexes and their catalytic performance in the polymerization of isoprene and polar <i>ortho</i>-methoxystyrene.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10563","10570","10.1039/d4dt01036a","","","0.71073","MoKα","","0.1082","0.0612","","","0.1308","0.1532","","","","","","1.025","","","","has coordinates","293068","2024-07-05","16:25:09",""
"7716224","10.3467","0.0004","11.7319","0.0004","14.9386","0.0005","92.678","0.001","100.749","0.001","112.151","0.001","1636.33","0.1","150","2","150","","","","","","","","","6","P -1","-P 1","2","","Ph-Box-Lu","","- C29 H52 Lu N2 O3 Si2 -","- C29 H49 Lu N2 O3 Si2 -","- C58 H98 Lu2 N4 O6 Si4 -","2","1","","You, Shuhao; Shi, Wenyu; Ouyang, Ruoxue; Wang, Yang; Shi, Xiaochao","Synthesis of bis(oxazoline)-based rare-earth metal complexes and their catalytic performance in the polymerization of isoprene and polar <i>ortho</i>-methoxystyrene.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10563","10570","10.1039/d4dt01036a","","","0.71073","MoKα","","0.0181","0.0176","","","0.0521","0.0524","","","","","","0.963","","","","has coordinates","293068","2024-07-05","16:25:09",""
"7716225","10.3675","0.0012","11.7613","0.0012","14.9863","0.001","92.529","0.003","100.532","0.003","112.138","0.002","1651.3","0.3","150","2","150","","","","","","","","","6","P -1","-P 1","2","","Ph-BOX-Y","","- C29 H51 N2 O3 Si2 Y -","- C29 H51 N2 O3 Si2 Y -","- C58 H102 N4 O6 Si4 Y2 -","2","1","","You, Shuhao; Shi, Wenyu; Ouyang, Ruoxue; Wang, Yang; Shi, Xiaochao","Synthesis of bis(oxazoline)-based rare-earth metal complexes and their catalytic performance in the polymerization of isoprene and polar <i>ortho</i>-methoxystyrene.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10563","10570","10.1039/d4dt01036a","","","0.71073","MoKα","","0.0454","0.0319","","","0.0725","0.0768","","","","","","1.033","","","","has coordinates","293068","2024-07-05","16:25:09",""
"7716226","14.728","0.0003","19.9953","0.0004","15.4998","0.0003","90","","97.987","0.002","90","","4520.27","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H126 N6 O26 Sn12 -","- C58 H112 N6 O26 Sn12 -","- C116 H224 N12 O52 Sn24 -","2","0.5","","Cui, Yibo; Cao, Jindong; Lin, Jiawei; Li, Chunxiao; Yao, Jiyong; Liu, Kunjie; Hou, An; Guo, Zhongnan; Zhao, Jing; Liu, Quanlin","Advancing nonlinear optics: discovery and characterization of new non-centrosymmetric phenazine-based halides.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10235","10243","10.1039/d4dt01096e","","","1.3405","GaKα","","0.1052","0.0867","","","0.2381","0.2493","","","","","","1.018","","","","has coordinates,has disorder","292994","2024-07-05","15:51:18",""
"7716227","5.72281","0.00015","15.2642","0.0005","17.5395","0.0005","90","","97.189","0.002","90","","1520.1","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H9 Cl4 N2 Sb -","- C12 H9 Cl4 N2 Sb -","- C48 H36 Cl16 N8 Sb4 -","4","2","","Cui, Yibo; Cao, Jindong; Lin, Jiawei; Li, Chunxiao; Yao, Jiyong; Liu, Kunjie; Hou, An; Guo, Zhongnan; Zhao, Jing; Liu, Quanlin","Advancing nonlinear optics: discovery and characterization of new non-centrosymmetric phenazine-based halides.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10235","10243","10.1039/d4dt01096e","","","0.71073","MoKα","","0.0492","0.0387","","","0.0767","0.0847","","","","","","1.011","","","","has coordinates","292994","2024-07-05","15:51:18",""
"7716228","13.8567","0.0011","7.4648","0.0005","26.178","0.002","90","","92.906","0.003","90","","2704.3","0.3","150","2","150","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C24 H18 Br5 In N4 -","- C24 H18 Br5 In N4 -","- C96 H72 Br20 In4 N16 -","4","2","","Cui, Yibo; Cao, Jindong; Lin, Jiawei; Li, Chunxiao; Yao, Jiyong; Liu, Kunjie; Hou, An; Guo, Zhongnan; Zhao, Jing; Liu, Quanlin","Advancing nonlinear optics: discovery and characterization of new non-centrosymmetric phenazine-based halides.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10235","10243","10.1039/d4dt01096e","","","0.71073","MoKα","","0.0446","0.0353","","","0.079","0.0826","","","","","","1.025","","","","has coordinates","292994","2024-07-05","15:51:18",""
"7716229","9.8098","0.0014","23.143","0.004","24.199","0.003","87.922","0.005","79.937","0.004","79.857","0.005","5324.7","1.4","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C25 H50 Ge N2 S2 Si4 -","- C25 H50 Ge N2 S2 Si4 -","- C150 H300 Ge6 N12 S12 Si24 -","6","6","","Ajithkumar, V. S.; Khilari, Nripen; Ghanwat, Pratiksha B.; Venugopal, Geethu; Koley, Debasis; Sen, Sakya S.","Activation of carbon disulfide by a hypersilyl germylene.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","10814","10818","10.1039/d4dt01573h","","","0.71073","MoKα","","0.1044","0.0837","","","0.2113","0.2283","","","","","","1.053","","","","has coordinates,has disorder","293039","2024-07-05","16:11:04",""
"7716230","21.115","0.002","9.603","0.0011","16.2157","0.0019","90","","93.596","0.004","90","","3281.5","0.6","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C96 H200 Ge4 N8 S4 Si16 -","- C96 H200 Ge4 N8 S4 Si16 -","- C96 H200 Ge4 N8 S4 Si16 -","1","0.5","","Ajithkumar, V. S.; Khilari, Nripen; Ghanwat, Pratiksha B.; Venugopal, Geethu; Koley, Debasis; Sen, Sakya S.","Activation of carbon disulfide by a hypersilyl germylene.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","10814","10818","10.1039/d4dt01573h","","","0.71073","MoKα","","0.0552","0.0404","","","0.0869","0.0934","","","","","","1.042","","","","has coordinates","293039","2024-07-05","16:11:05",""
"7716231","15.1559","0.0003","11.6422","0.0003","15.0239","0.0003","90","","117.486","0.001","90","","2351.71","0.09","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C84 H148 Br4 N4 Ni4 O8 P4 -","- C84 H148 Br4 N4 Ni4 O8 P4 -","- C84 H148 Br4 N4 Ni4 O8 P4 -","1","0.25","","Sarker, Rajib K.; Zargarian, Davit","Reactions of cyclonickelated complexes with hydroxylamines and TEMPO˙: isolation of new TEMPOH adducts of Ni(II) and their reactivities with nucleophiles and oxidants.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10208","10219","10.1039/d4dt00605d","","x-ray","1.34139","GaKα","","0.0278","0.0266","","","0.0705","0.0712","","","","","","1.087","","","","has coordinates","293000","2024-07-05","15:55:29",""
"7716232","15.8263","0.0004","11.6352","0.0003","14.8354","0.0004","90","","114.596","0.001","90","","2483.95","0.11","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C84 H144 Br4 Cl4 N4 Ni4 O8 P4 -","- C84 H144 Br4 Cl4 N4 Ni4 O8 P4 -","- C84 H144 Br4 Cl4 N4 Ni4 O8 P4 -","1","0.25","","Sarker, Rajib K.; Zargarian, Davit","Reactions of cyclonickelated complexes with hydroxylamines and TEMPO˙: isolation of new TEMPOH adducts of Ni(II) and their reactivities with nucleophiles and oxidants.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10208","10219","10.1039/d4dt00605d","","x-ray","1.34139","GaKα","","0.0469","0.0424","","","0.106","0.1078","","","","","","1.095","","","","has coordinates","293000","2024-07-05","15:55:30",""
"7716233","9.1454","0.0004","27.5501","0.0011","9.8982","0.0004","90","","102.159","0.002","90","","2437.97","0.18","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H30 Br N6 Ni O P -","- C21 H30 Br N6 Ni O P -","- C84 H120 Br4 N24 Ni4 O4 P4 -","4","1","","Sarker, Rajib K.; Zargarian, Davit","Reactions of cyclonickelated complexes with hydroxylamines and TEMPO˙: isolation of new TEMPOH adducts of Ni(II) and their reactivities with nucleophiles and oxidants.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10208","10219","10.1039/d4dt00605d","","x-ray","1.34139","GaKα","","0.0445","0.0429","","","0.1126","0.1149","","","","","","1.065","","","","has coordinates","293000","2024-07-05","15:55:30",""
"7716234","12.4164","0.0006","16.3578","0.0008","14.9046","0.0007","90","","112.769","0.002","90","","2791.3","0.2","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H40 Br N Ni O3 P -","- C26 H40 Br N Ni O3 P -","- C104 H160 Br4 N4 Ni4 O12 P4 -","4","1","","Sarker, Rajib K.; Zargarian, Davit","Reactions of cyclonickelated complexes with hydroxylamines and TEMPO˙: isolation of new TEMPOH adducts of Ni(II) and their reactivities with nucleophiles and oxidants.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10208","10219","10.1039/d4dt00605d","","x-ray","1.34139","GaKα","","0.0687","0.0678","","","0.1716","0.1735","","","","","","1.044","","","","has coordinates","293000","2024-07-05","15:55:30",""
"7716235","7.7771","0.0003","24.7633","0.0008","9.4301","0.0003","90","","97.012","0.001","90","","1802.53","0.11","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C16 H27 Br0.24 Cl0.76 N Ni O2 P -","- C16 H27 Br0.239 Cl0.761 N Ni O2 P -","- C64 H108 Br0.956 Cl3.044 N4 Ni4 O8 P4 -","4","1","","Sarker, Rajib K.; Zargarian, Davit","Reactions of cyclonickelated complexes with hydroxylamines and TEMPO˙: isolation of new TEMPOH adducts of Ni(II) and their reactivities with nucleophiles and oxidants.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10208","10219","10.1039/d4dt00605d","","x-ray","1.34139","GaKα","","0.0281","0.0275","","","0.0697","0.07","","","","","","1.136","","","","has coordinates,has disorder","293000","2024-07-05","15:55:30",""
"7716236","19.9649","0.0014","8.3817","0.0006","15.815","0.0011","90","","91.234","0.004","90","","2645.9","0.3","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H20 F3 N O2 -","- C11 H20 F3 N O2 -","- C88 H160 F24 N8 O16 -","8","1","","Sarker, Rajib K.; Zargarian, Davit","Reactions of cyclonickelated complexes with hydroxylamines and TEMPO˙: isolation of new TEMPOH adducts of Ni(II) and their reactivities with nucleophiles and oxidants.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10208","10219","10.1039/d4dt00605d","","x-ray","1.34139","GaKα","","0.067","0.0566","","","0.159","0.1699","","","","","","1.056","","","","has coordinates,has disorder","293000","2024-07-05","15:55:30",""
"7716237","11.927","0.0005","14.1466","0.0006","29.5812","0.0012","90","","98.95","0.002","90","","4930.4","0.4","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H39 Br0.25 Cl0.75 N Ni O3 P -","- C22 H39 Br0.25 Cl0.75 N Ni O3 P -","- C176 H312 Br2 Cl6 N8 Ni8 O24 P8 -","8","2","","Sarker, Rajib K.; Zargarian, Davit","Reactions of cyclonickelated complexes with hydroxylamines and TEMPO˙: isolation of new TEMPOH adducts of Ni(II) and their reactivities with nucleophiles and oxidants.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10208","10219","10.1039/d4dt00605d","","x-ray","1.34139","GaKα","","0.0308","0.0284","","","0.0721","0.0734","","","","","","1.029","","","","has coordinates,has disorder","293000","2024-07-05","15:55:30",""
"7716238","15.7583","0.0005","12.7241","0.0004","14.183","0.0005","90","","115.546","0.002","90","","2565.82","0.15","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H37 F3 N Ni O4 P -","- C23 H37 F3 N Ni O4 P -","- C92 H148 F12 N4 Ni4 O16 P4 -","4","1","","Sarker, Rajib K.; Zargarian, Davit","Reactions of cyclonickelated complexes with hydroxylamines and TEMPO˙: isolation of new TEMPOH adducts of Ni(II) and their reactivities with nucleophiles and oxidants.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10208","10219","10.1039/d4dt00605d","","x-ray","1.34139","GaKα","","0.0942","0.0568","","","0.1171","0.1291","","","","","","1.05","","","","has coordinates","293000","2024-07-05","15:55:30",""
"7716239","12.5361","0.0004","16.0432","0.0006","13.6085","0.0005","90","","95.6","0.003","90","","2723.87","0.17","150","","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 Cl4 Fe2 N14 O22 -","- C42 H42 Cl4 Fe2 N14 O22 -","- C84 H84 Cl8 Fe4 N28 O44 -","2","0.5","","Sundaresan, Sriram; Eppelsheimer, Julian; Gera, Esha; Wiener, Lukas; Carrella, Luca M.; Vignesh, Kuduva R.; Rentschler, Eva","A combined theoretical and experimental approach to determine the right choice of co-ligand to impart spin crossover in Fe(II) complexes based on 1,3,4-oxadiazole ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10303","10317","10.1039/d4dt01141d","","","0.71073","MoKα","","0.0509","0.0328","","","0.0793","0.0842","","","","","","1.031","","","","has coordinates,has disorder","292999","2024-07-05","15:54:15",""
"7716240","22.9994","0.0007","10.7119","0.0002","20.7583","0.0006","90","","91.282","0.002","90","","5112.9","0.2","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H28 B2 Fe N8 O -","- C25 H28 B2 Fe N8 O -","- C200 H224 B16 Fe8 N64 O8 -","8","1","","Sundaresan, Sriram; Eppelsheimer, Julian; Gera, Esha; Wiener, Lukas; Carrella, Luca M.; Vignesh, Kuduva R.; Rentschler, Eva","A combined theoretical and experimental approach to determine the right choice of co-ligand to impart spin crossover in Fe(II) complexes based on 1,3,4-oxadiazole ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10303","10317","10.1039/d4dt01141d","","x-ray","0.71073","MoKα","","0.0509","0.0435","","","0.1185","0.1236","","","","","","1.075","","","","has coordinates","292999","2024-07-05","15:54:15",""
"7716241","15.4394","0.0003","11.5893","0.0002","23.9234","0.0004","90","","141.138","0.002","90","","2685.88","0.14","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 Fe N9 O S2 -","- C24 H21 Fe N9 O S2 -","- C96 H84 Fe4 N36 O4 S8 -","4","1","","Sundaresan, Sriram; Eppelsheimer, Julian; Gera, Esha; Wiener, Lukas; Carrella, Luca M.; Vignesh, Kuduva R.; Rentschler, Eva","A combined theoretical and experimental approach to determine the right choice of co-ligand to impart spin crossover in Fe(II) complexes based on 1,3,4-oxadiazole ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10303","10317","10.1039/d4dt01141d","","","0.71073","MoKα","","0.0336","0.0259","","","0.0708","0.073","","","","","","1.053","","","","has coordinates","292999","2024-07-05","15:54:15",""
"7716242","23.819","0.002","11.1057","0.0007","20.709","0.0017","90","","91.611","0.007","90","","5475.9","0.7","240","","240","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H28 B2 Fe N8 O -","- C25 H28 B2 Fe N8 O -","- C200 H224 B16 Fe8 N64 O8 -","8","1","","Sundaresan, Sriram; Eppelsheimer, Julian; Gera, Esha; Wiener, Lukas; Carrella, Luca M.; Vignesh, Kuduva R.; Rentschler, Eva","A combined theoretical and experimental approach to determine the right choice of co-ligand to impart spin crossover in Fe(II) complexes based on 1,3,4-oxadiazole ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10303","10317","10.1039/d4dt01141d","","x-ray","0.71073","MoKα","","0.058","0.0387","","","0.1117","0.1186","","","","","","1.062","","","","has coordinates,has disorder","292999","2024-07-05","15:54:15",""
"7716243","24.0862","0.0011","10.9735","0.0004","20.5959","0.0008","90","","91.577","0.003","90","","5441.6","0.4","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H27 B2 Fe N9 O -","- C24 H27 B2 Fe N9 O -","- C192 H216 B16 Fe8 N72 O8 -","8","1","","Sundaresan, Sriram; Eppelsheimer, Julian; Gera, Esha; Wiener, Lukas; Carrella, Luca M.; Vignesh, Kuduva R.; Rentschler, Eva","A combined theoretical and experimental approach to determine the right choice of co-ligand to impart spin crossover in Fe(II) complexes based on 1,3,4-oxadiazole ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10303","10317","10.1039/d4dt01141d","","","0.71073","MoKα","","0.0917","0.0626","","","0.1668","0.1924","","","","","","1.034","","","","has coordinates","292999","2024-07-05","15:54:15",""
"7716244","16.8096","0.0005","12.3242","0.0002","17.0638","0.0005","90","","112.63","0.002","90","","3262.85","0.15","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 Fe N11 O Se2 -","- C28 H27 Fe N11 O Se2 -","- C112 H108 Fe4 N44 O4 Se8 -","4","1","","Sundaresan, Sriram; Eppelsheimer, Julian; Gera, Esha; Wiener, Lukas; Carrella, Luca M.; Vignesh, Kuduva R.; Rentschler, Eva","A combined theoretical and experimental approach to determine the right choice of co-ligand to impart spin crossover in Fe(II) complexes based on 1,3,4-oxadiazole ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10303","10317","10.1039/d4dt01141d","","x-ray","0.71073","MoKα","","0.0529","0.0293","","","0.0645","0.0689","","","","","","0.95","","","","has coordinates","292999","2024-07-05","15:54:15",""
"7716245","30.7836","0.0016","11.8309","0.0004","17.8246","0.001","90","","105.213","0.004","90","","6264.2","0.5","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H26.5 Fe N9.5 O Se2 -","- C28 H26.5 Fe N9.5 O Se2 -","- C224 H212 Fe8 N76 O8 Se16 -","8","1","","Sundaresan, Sriram; Eppelsheimer, Julian; Gera, Esha; Wiener, Lukas; Carrella, Luca M.; Vignesh, Kuduva R.; Rentschler, Eva","A combined theoretical and experimental approach to determine the right choice of co-ligand to impart spin crossover in Fe(II) complexes based on 1,3,4-oxadiazole ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10303","10317","10.1039/d4dt01141d","","x-ray","0.71073","MoKα","","0.0813","0.0644","","","0.1627","0.1712","","","","","","0.969","","","","has coordinates,has disorder","292999","2024-07-05","15:54:15",""
"7716246","30.6059","0.001","11.7584","0.0005","17.6574","0.0006","90","","105.11","0.003","90","","6134.8","0.4","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H26.5 Fe N9.5 O S2 -","- C28 H26.5 Fe N9.5 O S2 -","- C224 H212 Fe8 N76 O8 S16 -","8","1","","Sundaresan, Sriram; Eppelsheimer, Julian; Gera, Esha; Wiener, Lukas; Carrella, Luca M.; Vignesh, Kuduva R.; Rentschler, Eva","A combined theoretical and experimental approach to determine the right choice of co-ligand to impart spin crossover in Fe(II) complexes based on 1,3,4-oxadiazole ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10303","10317","10.1039/d4dt01141d","","x-ray","0.71073","MoKα","","0.0415","0.0302","","","0.082","0.0848","","","","","","1.005","","","","has coordinates,has disorder","292999","2024-07-05","15:54:15",""
"7716247","20.8409","0.0006","9.663","0.0002","21.7185","0.0006","90","","114.714","0.003","90","","3973.2","0.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19 H26 Cl N2 O P Pd -","- C19 H26 Cl N2 O P Pd -","- C152 H208 Cl8 N16 O8 P8 Pd8 -","8","1","","Kao, Cheng-Po; Lee, Jhen-Yi; Tang, Min-Cheng; Lee, Hon Man","Design and synthesis of versatile ligand precursors based on phosphonium ylides for palladalactam formation and catalytic investigation.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10475","10485","10.1039/d4dt00862f","","","1.54184","CuKα","","0.0385","0.0349","","","0.1051","0.109","","","","","","0.852","","","","has coordinates","293078","2024-07-05","16:31:41",""
"7716248","13.0545","0.0011","14.5057","0.0012","16.7574","0.0014","90","","100.75","0.005","90","","3117.6","0.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H27 Cl3 N2 O P Pd -","- C32 H27 Cl3 N2 O P Pd -","- C128 H108 Cl12 N8 O4 P4 Pd4 -","4","1","","Kao, Cheng-Po; Lee, Jhen-Yi; Tang, Min-Cheng; Lee, Hon Man","Design and synthesis of versatile ligand precursors based on phosphonium ylides for palladalactam formation and catalytic investigation.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10475","10485","10.1039/d4dt00862f","","x-ray","0.71073","MoKα","","0.0605","0.0449","","","0.1184","0.1307","","","","","","1.064","","","","has coordinates","293078","2024-07-05","16:31:42",""
"7716249","4.6869","0.0007","11.2109","0.0018","13.967","0.002","97.482","0.005","92.225","0.005","92.406","0.005","726.27","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H6 N4 O4 -","- C4 H6 N4 O4 -","- C16 H24 N16 O16 -","4","2","","Kao, Cheng-Po; Lee, Jhen-Yi; Tang, Min-Cheng; Lee, Hon Man","Design and synthesis of versatile ligand precursors based on phosphonium ylides for palladalactam formation and catalytic investigation.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10475","10485","10.1039/d4dt00862f","","","0.71073","MoKα","","0.0799","0.0511","","","0.1238","0.1393","","","","","","1.022","","","","has coordinates","293078","2024-07-05","16:31:42",""
"7716250","14.2817","0.0011","9.8382","0.0008","17.6371","0.0012","90","","104.783","0.007","90","","2396.1","0.3","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 Cl N O P Pd -","- C26 H21 Cl N O P Pd -","- C104 H84 Cl4 N4 O4 P4 Pd4 -","4","1","","Kao, Cheng-Po; Lee, Jhen-Yi; Tang, Min-Cheng; Lee, Hon Man","Design and synthesis of versatile ligand precursors based on phosphonium ylides for palladalactam formation and catalytic investigation.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10475","10485","10.1039/d4dt00862f","","x-ray","1.54184","CuKα","","0.0402","0.0371","","","0.0983","0.0999","","","","","","1.067","","","","has coordinates","293078","2024-07-05","16:31:42",""
"7716251","17.4769","0.0002","10.1081","0.0001","17.5375","0.0003","90","","98.177","0.001","90","","3066.65","0.07","99.99","0.1","99.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 Cl N2 O4 P Pd -","- C34 H32 Cl N2 O4 P Pd -","- C136 H128 Cl4 N8 O16 P4 Pd4 -","4","1","","Kao, Cheng-Po; Lee, Jhen-Yi; Tang, Min-Cheng; Lee, Hon Man","Design and synthesis of versatile ligand precursors based on phosphonium ylides for palladalactam formation and catalytic investigation.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10475","10485","10.1039/d4dt00862f","","x-ray","1.54184","CuKα","","0.0386","0.032","","","0.0978","0.1045","","","","","","0.849","","","","has coordinates","293078","2024-07-05","16:31:42",""
"7716252","9.87687","0.00019","19.9674","0.0004","14.823","0.0003","90","","103.567","0.0019","90","","2841.75","0.1","99.99","0.1","99.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H39 Cl N O P Pd -","- C26 H39 Cl N O P Pd -","- C104 H156 Cl4 N4 O4 P4 Pd4 -","4","1","","Kao, Cheng-Po; Lee, Jhen-Yi; Tang, Min-Cheng; Lee, Hon Man","Design and synthesis of versatile ligand precursors based on phosphonium ylides for palladalactam formation and catalytic investigation.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10475","10485","10.1039/d4dt00862f","","x-ray","1.54184","CuKα","","0.0489","0.0454","","","0.1899","0.195","","","","","","0.884","","","","has coordinates","293078","2024-07-05","16:31:42",""
"7716253","12.9136","0.0011","18.0641","0.0015","13.3406","0.0011","90","","99.507","0.004","90","","3069.3","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Cl3 N2 O2 P Pd -","- C32 H28 Cl3 N2 O2 P Pd -","- C128 H112 Cl12 N8 O8 P4 Pd4 -","4","1","","Kao, Cheng-Po; Lee, Jhen-Yi; Tang, Min-Cheng; Lee, Hon Man","Design and synthesis of versatile ligand precursors based on phosphonium ylides for palladalactam formation and catalytic investigation.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10475","10485","10.1039/d4dt00862f","","x-ray","0.71073","MoKα","","0.0516","0.0459","","","0.114","0.1186","","","","","","0.98","","","","has coordinates","293078","2024-07-05","16:31:42",""
"7716254","13.6635","0.0012","10.8979","0.001","23.52","0.002","90","","105.835","0.004","90","","3369.3","0.5","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H31 B F4 N3 O2 P Pd -","- C36 H31 B F4 N3 O2 P Pd -","- C144 H124 B4 F16 N12 O8 P4 Pd4 -","4","1","","Kao, Cheng-Po; Lee, Jhen-Yi; Tang, Min-Cheng; Lee, Hon Man","Design and synthesis of versatile ligand precursors based on phosphonium ylides for palladalactam formation and catalytic investigation.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10475","10485","10.1039/d4dt00862f","","x-ray","0.71073","MoKα","","0.0565","0.0393","","","0.084","0.0913","","","","","","1.009","","","","has coordinates","293078","2024-07-05","16:31:42",""
"7716255","13.078","0.0016","14.1178","0.0014","6.4583","0.0008","90","","95.405","0.004","90","","1187.1","0.2","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 F N5 O -","- C14 H8 F N5 O -","- C56 H32 F4 N20 O4 -","4","1","","Bousfiha, Asmae; Abidi, Oumaima; Lemetayer, Louis; Sood, Navya; Tolbatov, Iogann; Barrois, Fabien; Daher, Ahmad; Cattey, Hélène; Cordier, Marie; Hissler, Muriel; Hierso, Jean-Cyrille; Fleurat-Lessard, Paul; Bouit, Pierre-Antoine; Roger, Julien","Molecular engineering of 3-arylated tetrazo[1,2-<i>b</i>]indazoles: divergent synthesis and structure-property relationships.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10737","10743","10.1039/d4dt01122h","","x-ray","0.71073","MoKα","","0.0424","0.0362","","","0.085","0.0888","","","","","","1.051","","","","has coordinates","293072","2024-07-05","16:27:06",""
"7716256","26.134","0.004","12.151","0.0014","7.3638","0.0011","90","","97.855","0.005","90","","2316.5","0.6","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 F N5 O -","- C14 H8 F N5 O -","- C112 H64 F8 N40 O8 -","8","2","","Bousfiha, Asmae; Abidi, Oumaima; Lemetayer, Louis; Sood, Navya; Tolbatov, Iogann; Barrois, Fabien; Daher, Ahmad; Cattey, Hélène; Cordier, Marie; Hissler, Muriel; Hierso, Jean-Cyrille; Fleurat-Lessard, Paul; Bouit, Pierre-Antoine; Roger, Julien","Molecular engineering of 3-arylated tetrazo[1,2-<i>b</i>]indazoles: divergent synthesis and structure-property relationships.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10737","10743","10.1039/d4dt01122h","","x-ray","0.71073","MoKα","","0.0673","0.0588","","","0.141","0.1463","","","","","","1.052","","","","has coordinates","293072","2024-07-05","16:27:07",""
"7716257","11.539","0.0004","11.8671","0.0004","16.1812","0.0006","90","","108.702","0.002","90","","2098.77","0.13","115","","115","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 Cl3 F N6 Pd -","- C20 H14 Cl3 F N6 Pd -","- C80 H56 Cl12 F4 N24 Pd4 -","4","1","","Bousfiha, Asmae; Abidi, Oumaima; Lemetayer, Louis; Sood, Navya; Tolbatov, Iogann; Barrois, Fabien; Daher, Ahmad; Cattey, Hélène; Cordier, Marie; Hissler, Muriel; Hierso, Jean-Cyrille; Fleurat-Lessard, Paul; Bouit, Pierre-Antoine; Roger, Julien","Molecular engineering of 3-arylated tetrazo[1,2-<i>b</i>]indazoles: divergent synthesis and structure-property relationships.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10737","10743","10.1039/d4dt01122h","","x-ray","0.71073","MoKα","K-L~3~","0.0271","0.0203","","","0.0436","0.0468","","","","","","1.035","","","","has coordinates","293072","2024-07-05","16:27:09",""
"7716258","33.7718","0.001","8.4029","0.0002","22.5382","0.0007","90","","124.235","0.002","90","","5287.7","0.3","115","","115","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25.37 H24.74 Cl3.74 F Ir N5 -","- C25.37 H24.74 Cl3.74 F Ir N5 -","- C202.96 H197.92 Cl29.92 F8 Ir8 N40 -","8","1","","Bousfiha, Asmae; Abidi, Oumaima; Lemetayer, Louis; Sood, Navya; Tolbatov, Iogann; Barrois, Fabien; Daher, Ahmad; Cattey, Hélène; Cordier, Marie; Hissler, Muriel; Hierso, Jean-Cyrille; Fleurat-Lessard, Paul; Bouit, Pierre-Antoine; Roger, Julien","Molecular engineering of 3-arylated tetrazo[1,2-<i>b</i>]indazoles: divergent synthesis and structure-property relationships.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10737","10743","10.1039/d4dt01122h","","x-ray","0.71073","MoKα","K-L~3~","0.0375","0.0272","","","0.059","0.0619","","","","","","1.147","","","","has coordinates,has disorder","293072","2024-07-05","16:27:12",""
"7716259","33.7878","0.0009","8.39","0.0002","22.4656","0.0006","90","","124.178","0.001","90","","5268.7","0.2","115","","115","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H50 Cl8 F2 N10 Rh2 -","- C51 H50 Cl8 F2 N10 Rh2 -","- C204 H200 Cl32 F8 N40 Rh8 -","4","0.5","","Bousfiha, Asmae; Abidi, Oumaima; Lemetayer, Louis; Sood, Navya; Tolbatov, Iogann; Barrois, Fabien; Daher, Ahmad; Cattey, Hélène; Cordier, Marie; Hissler, Muriel; Hierso, Jean-Cyrille; Fleurat-Lessard, Paul; Bouit, Pierre-Antoine; Roger, Julien","Molecular engineering of 3-arylated tetrazo[1,2-<i>b</i>]indazoles: divergent synthesis and structure-property relationships.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10737","10743","10.1039/d4dt01122h","","x-ray","0.71073","MoKα","K-L~3~","0.0358","0.0307","","","0.0744","0.0783","","","","","","1.033","","","","has coordinates,has disorder","293072","2024-07-05","16:27:12",""
"7716260","9.001","0.003","9.519","0.004","11.394","0.004","88.919","0.012","85.325","0.012","86.622","0.012","971.2","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H20 Cu3 N6 O5 -","- C17 H20 Cu3 N6 O5 -","- C34 H40 Cu6 N12 O10 -","2","1","","Saha, Sayan; Akhtar, Sohel; Pramanik, Subhendu; Bala, Sukhen; Mondal, Raju","Utilization of a trinuclear Cu-pyrazolate inorganic motif to build multifunctional MOFs.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","11021","11037","10.1039/d4dt00986j","","x-ray","0.71073","MoKα","","0.0915","0.0597","","","0.1229","0.1398","","","","","","1.077","","","","has coordinates,has disorder","293044","2024-07-05","16:13:06",""
"7716261","17.76","0.012","9.823","0.007","17.162","0.012","90","","116.558","0.012","90","","2678","3","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C92 H92 Cu12 N24 O34 -","- C92 H72 Cu12 N24 O30 -","- C92 H72 Cu12 N24 O30 -","1","0.25","","Saha, Sayan; Akhtar, Sohel; Pramanik, Subhendu; Bala, Sukhen; Mondal, Raju","Utilization of a trinuclear Cu-pyrazolate inorganic motif to build multifunctional MOFs.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","11021","11037","10.1039/d4dt00986j","","","0.71073","MoKα","","0.1406","0.0834","","","0.1927","0.2364","","","","","","1.037","","","","has coordinates,has disorder","293044","2024-07-05","16:13:07",""
"7716262","9.4907","0.001","13.7197","0.0014","16.1356","0.0017","114.378","0.004","92.674","0.004","107.127","0.004","1794.4","0.3","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C28.9 H22.8 Cu3 F6 N7 O6.4 -","- C28.9 H22.8 Cu3 F6 N7 O6.4 -","- C57.8 H45.6 Cu6 F12 N14 O12.8 -","2","1","","Saha, Sayan; Akhtar, Sohel; Pramanik, Subhendu; Bala, Sukhen; Mondal, Raju","Utilization of a trinuclear Cu-pyrazolate inorganic motif to build multifunctional MOFs.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","11021","11037","10.1039/d4dt00986j","","x-ray","0.71073","MoKα","","0.0734","0.0486","","","0.1132","0.1252","","","","","","1.135","","","","has coordinates,has disorder","293044","2024-07-05","16:13:07",""
"7716263","9.221","0.002","12.471","0.004","17.304","0.005","77.215","0.008","88.784","0.007","78.935","0.008","1904","0.9","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H38 Cu3 N9 O11 S -","- C31 H38 Cu3 N9 O11 S -","- C62 H76 Cu6 N18 O22 S2 -","2","1","","Saha, Sayan; Akhtar, Sohel; Pramanik, Subhendu; Bala, Sukhen; Mondal, Raju","Utilization of a trinuclear Cu-pyrazolate inorganic motif to build multifunctional MOFs.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","11021","11037","10.1039/d4dt00986j","","","0.71073","MoKα","","0.1674","0.088","","","0.1754","0.1998","","","","","","1.03","","","","has coordinates","293044","2024-07-05","16:13:07",""
"7716264","11.5378","0.0011","15.7422","0.0013","16.9487","0.0016","107.464","0.003","102.375","0.003","96.08","0.003","2820","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H45 Cu6 N20 O12 S -","- C42 H45 Cu6 N20 O12 S -","- C84 H90 Cu12 N40 O24 S2 -","2","1","","Saha, Sayan; Akhtar, Sohel; Pramanik, Subhendu; Bala, Sukhen; Mondal, Raju","Utilization of a trinuclear Cu-pyrazolate inorganic motif to build multifunctional MOFs.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","11021","11037","10.1039/d4dt00986j","","","0.71073","MoKα","","0.1384","0.0838","","","0.2332","0.2631","","","","","","1.497","","","","has coordinates","293044","2024-07-05","16:13:07",""
"7716265","22.4801","0.0012","10.6886","0.0006","30.427","0.002","90","","96.817","0.005","90","","7259.3","0.7","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C34 H25 Dy F15 N5 O3 -","- C34 H25 Dy F15 N5 O3 -","- C272 H200 Dy8 F120 N40 O24 -","8","1","","Wang, Jia-Ling; Chen, Ji-Tun; Yan, Han; Wang, Tian-Tian; Zhang, Yi-Quan; Sun, Wen-Bin","Constructing high axiality mononuclear dysprosium molecular magnets <i>via</i> a regulation-of-co-ligands strategy.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","10982","10990","10.1039/d4dt00040d","","","0.71073","MoKα","","0.0886","0.0581","","","0.0922","0.1031","","","","","","1.119","","","","has coordinates","293036","2024-07-05","16:09:50",""
"7716266","10.2351","0.0006","17.8266","0.0013","27.2325","0.0016","90","","90","","90","","4968.8","0.5","293","","293","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C52 H51 B Dy F4 N5 O2 -","- C52 H51 B Dy F4 N5 O2 -","- C208 H204 B4 Dy4 F16 N20 O8 -","4","1","","Wang, Jia-Ling; Chen, Ji-Tun; Yan, Han; Wang, Tian-Tian; Zhang, Yi-Quan; Sun, Wen-Bin","Constructing high axiality mononuclear dysprosium molecular magnets <i>via</i> a regulation-of-co-ligands strategy.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","10982","10990","10.1039/d4dt00040d","","x-ray","1.54184","CuKα","","0.0912","0.0755","","","0.2133","0.2308","","","","","","1.062","","","","has coordinates","293036","2024-07-05","16:09:51",""
"7716267","11.146","0.003","12.159","0.003","7.2164","0.0018","90","","95.414","0.009","90","","973.6","0.4","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 Cl Cu N4 S -","- C7 H8 Cl Cu N4 S -","- C28 H32 Cl4 Cu4 N16 S4 -","4","1","","Deng, Jiangtao; Huang, Huilin; Li, Zhentao; Jing, Xu; Duan, Chunying","A novel Cu(I)-based coordination polymer for efficient photocatalytic oxidation of C(sp<sup>3</sup>)-H bonds.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10055","10059","10.1039/d4dt01257g","","","0.71073","MoKα","","0.1404","0.1373","","","0.3498","0.3521","","","","","","1.012","","","","has coordinates","293008","2024-07-05","15:58:23",""
"7716268","6.7506","0.0013","10.564","0.002","10.746","0.002","77.01","0.007","82.594","0.006","81.892","0.006","735.5","0.2","145","","145","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H17 Ca N O6 -","- C13 H17 Ca N O6 -","- C26 H34 Ca2 N2 O12 -","2","1","","Bhattacharjee, Sudip; Chakraborty, Tonmoy; Banerjee, Soumadip; Das, Abhijit K.; Bhaumik, Asim","Construction of a series of pH stable Ca-based MOFs, their CO<sub>2</sub> adsorption and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","11120","11132","10.1039/d4dt01150c","","x-ray","0.71073","MoKα","","0.0755","0.0538","","","0.1273","0.1385","","","","","","1.063","","","","has coordinates","293046","2024-07-05","16:14:14",""
"7716269","6.6525","0.0013","14.409","0.003","14.878","0.004","90","","90","","90","","1426.1","0.6","144.95","","144.95","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15.01 H13.13 Ca N0.99 O5 -","- C15.005 H13.139 Ca N0.98 O5 -","- C60.02 H52.556 Ca4 N3.92 O20 -","4","1","","Bhattacharjee, Sudip; Chakraborty, Tonmoy; Banerjee, Soumadip; Das, Abhijit K.; Bhaumik, Asim","Construction of a series of pH stable Ca-based MOFs, their CO<sub>2</sub> adsorption and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","11120","11132","10.1039/d4dt01150c","","x-ray","0.71073","MoKα","","0.0395","0.0313","","","0.0687","0.0735","","","","","","1.044","","","","has coordinates,has disorder","293046","2024-07-05","16:14:23",""
"7716270","6.527","0.018","7.215","0.018","13.83","0.05","74.9","0.13","76.5","0.08","89.9","0.2","610","3","145.26","","145.26","","","","","","","","","4","P 1","P 1","1","","","","- C24 H24 Ca2 O14 -","- C24 H24 Ca2 O14 -","- C24 H24 Ca2 O14 -","1","1","","Bhattacharjee, Sudip; Chakraborty, Tonmoy; Banerjee, Soumadip; Das, Abhijit K.; Bhaumik, Asim","Construction of a series of pH stable Ca-based MOFs, their CO<sub>2</sub> adsorption and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","11120","11132","10.1039/d4dt01150c","","x-ray","0.71073","MoKα","","0.1659","0.0868","","","0.1585","0.1986","","","","","","1.056","","","","has coordinates","293046","2024-07-05","16:14:24",""
"7716271","9.2135","0.0019","10.112","0.002","10.455","0.002","96.156","0.008","98.994","0.007","113.548","0.007","866.3","0.3","166","2","166.52","","","","","","","","","5","P -1","-P 1","2","","","","- C13.05 H15.05 Ca2 N O12 -","- C13.05 H15.05 Ca2 N O12 -","- C26.1 H30.1 Ca4 N2 O24 -","2","1","","Bhattacharjee, Sudip; Chakraborty, Tonmoy; Banerjee, Soumadip; Das, Abhijit K.; Bhaumik, Asim","Construction of a series of pH stable Ca-based MOFs, their CO<sub>2</sub> adsorption and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","11120","11132","10.1039/d4dt01150c","","x-ray","0.71073","MoKα","","0.0423","0.0398","","","0.1055","0.1076","","","","","","1.033","","","","has coordinates,has disorder","293046","2024-07-05","16:14:26",""
"7716272","13.0539","0.0012","11.939","0.0011","6.8072","0.0006","96.318","0.003","96.953","0.003","113.171","0.002","953.59","0.15","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 Bi N5 O11 -","- C14 H22 Bi N5 O11 -","- C28 H44 Bi2 N10 O22 -","2","1","","Contini, Laura; Paul, Arundhati; Mazzei, Luca; Ciurli, Stefano; Roncarati, Davide; Braga, Dario; Grepioni, Fabrizia","Is bismuth(III) able to inhibit the activity of urease? Puzzling results in the quest for soluble urease complexes for agrochemical and medicinal applications.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10553","10562","10.1039/d4dt00778f","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.08607","2.13797","","","","","","","has coordinates","293069","2024-07-05","16:25:20",""
"7716273","21.386","0.005","8.852","0.002","13.186","0.003","90","","101.902","0.005","90","","2442.6","1","293","","293","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H28 Bi N5 O13 -","- C16 H28 Bi N5 O13 -","- C64 H112 Bi4 N20 O52 -","4","1","","Contini, Laura; Paul, Arundhati; Mazzei, Luca; Ciurli, Stefano; Roncarati, Davide; Braga, Dario; Grepioni, Fabrizia","Is bismuth(III) able to inhibit the activity of urease? Puzzling results in the quest for soluble urease complexes for agrochemical and medicinal applications.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10553","10562","10.1039/d4dt00778f","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.11649","3.80977","","","","","","","has coordinates","293069","2024-07-05","16:25:20",""
"7716274","13.701","0.007","6.178","0.003","14.782","0.008","90","","111.527","0.012","90","","1163.9","1","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H30 N2 Na2 O11 -","- C23 H30 N2 Na2 O11 -","- C46 H60 N4 Na4 O22 -","2","1","","Tsigara, Afroditi S.; Banti, Christina N.; Hatzidimitriou, Antonios; Hadjikakou, Sotiris K.","Tetracycline: structural characterization and antimicrobial properties of its water-soluble di-anionic bi-sodium salt.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12080","12089","10.1039/d4dt01384k","","","0.71073","MoKα","","0.0574","0.0379","","0.0562","0.0508","0.0508","","","","","","1","","","","has coordinates","293822","2024-08-05","18:48:06",""
"7716275","8.7881","0.0004","14.406","0.0005","9.8793","0.0004","90","","98.194","0.004","90","","1237.96","0.09","119.9","0.14","119.9","0.14","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H26 Fe N6 O Se2 -","- C23 H26 Fe N6 O Se2 -","- C46 H52 Fe2 N12 O2 Se4 -","2","1","","Regueiro, Alejandro; García-López, Víctor; Forment-Aliaga, Alicia; Clemente-León, Miguel","Chiral spin-crossover complexes based on an enantiopure Schiff base ligand with three chiral carbon centers.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10637","10643","10.1039/d4dt00924j","","x-ray","0.71073","MoKα","","0.0893","0.0566","","","0.0932","0.1067","","","","","","0.994","","","","has coordinates","293065","2024-07-05","16:23:50",""
"7716276","8.8057","0.0004","14.4435","0.0005","9.8922","0.0005","90","","98.118","0.005","90","","1245.53","0.1","159.9","0.14","159.9","0.14","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H26 Fe N6 O Se2 -","- C23 H26 Fe N6 O Se2 -","- C46 H52 Fe2 N12 O2 Se4 -","2","1","","Regueiro, Alejandro; García-López, Víctor; Forment-Aliaga, Alicia; Clemente-León, Miguel","Chiral spin-crossover complexes based on an enantiopure Schiff base ligand with three chiral carbon centers.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10637","10643","10.1039/d4dt00924j","","x-ray","0.71073","MoKα","","0.0725","0.0494","","","0.0776","0.088","","","","","","1.023","","","","has coordinates","293065","2024-07-05","16:23:50",""
"7716277","8.839","0.0006","14.5072","0.0008","9.901","0.0007","90","","98.031","0.006","90","","1257.15","0.14","199.95","0.1","199.95","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H26 Fe N6 O Se2 -","- C23 H26 Fe N6 O Se2 -","- C46 H52 Fe2 N12 O2 Se4 -","2","1","","Regueiro, Alejandro; García-López, Víctor; Forment-Aliaga, Alicia; Clemente-León, Miguel","Chiral spin-crossover complexes based on an enantiopure Schiff base ligand with three chiral carbon centers.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10637","10643","10.1039/d4dt00924j","","x-ray","0.71073","MoKα","","0.1119","0.055","","","0.0922","0.1108","","","","","","1.001","","","","has coordinates","293065","2024-07-05","16:23:50",""
"7716278","9.0416","0.0018","14.803","0.003","10.017","0.002","90","","97.447","0.018","90","","1329.4","0.5","400.6","0.8","400.6","0.8","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H26 Fe N6 O Se2 -","- C23 H26 Fe N6 O Se2 -","- C46 H52 Fe2 N12 O2 Se4 -","2","1","","Regueiro, Alejandro; García-López, Víctor; Forment-Aliaga, Alicia; Clemente-León, Miguel","Chiral spin-crossover complexes based on an enantiopure Schiff base ligand with three chiral carbon centers.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10637","10643","10.1039/d4dt00924j","","x-ray","0.71073","MoKα","","0.4421","0.0897","","","0.1607","0.307","","","","","","0.866","","","","has coordinates","293065","2024-07-05","16:23:50",""
"7716279","8.9654","0.0005","14.6855","0.0007","9.9205","0.0006","90","","97.425","0.005","90","","1295.19","0.12","299.95","0.1","299.95","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H26 Fe N6 O Se2 -","- C23 H26 Fe N6 O Se2 -","- C46 H52 Fe2 N12 O2 Se4 -","2","1","","Regueiro, Alejandro; García-López, Víctor; Forment-Aliaga, Alicia; Clemente-León, Miguel","Chiral spin-crossover complexes based on an enantiopure Schiff base ligand with three chiral carbon centers.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10637","10643","10.1039/d4dt00924j","","x-ray","0.71073","MoKα","","0.1777","0.0595","","","0.0982","0.1339","","","","","","0.966","","","","has coordinates,has disorder","293065","2024-07-05","16:23:50",""
"7716280","8.7851","0.0006","14.3976","0.001","9.8896","0.0006","90","","98.26","0.007","90","","1237.9","0.14","120","0.1","120","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H26 Fe N6 O Se2 -","- C23 H26 Fe N6 O Se2 -","- C46 H52 Fe2 N12 O2 Se4 -","2","1","","Regueiro, Alejandro; García-López, Víctor; Forment-Aliaga, Alicia; Clemente-León, Miguel","Chiral spin-crossover complexes based on an enantiopure Schiff base ligand with three chiral carbon centers.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10637","10643","10.1039/d4dt00924j","","x-ray","0.71073","MoKα","","0.158","0.0742","","","0.0913","0.1194","","","","","","0.988","","","","has coordinates","293065","2024-07-05","16:23:50",""
"7716281","8.956","0.0005","14.5794","0.0008","9.6812","0.0004","90","","96.444","0.005","90","","1256.12","0.11","199.9","0.14","199.9","0.14","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H26 Fe N6 O S2 -","- C23 H26 Fe N6 O S2 -","- C46 H52 Fe2 N12 O2 S4 -","2","1","","Regueiro, Alejandro; García-López, Víctor; Forment-Aliaga, Alicia; Clemente-León, Miguel","Chiral spin-crossover complexes based on an enantiopure Schiff base ligand with three chiral carbon centers.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10637","10643","10.1039/d4dt00924j","","x-ray","0.71073","MoKα","","0.095","0.0519","","","0.0919","0.1118","","","","","","1.023","","","","has coordinates,has disorder","293065","2024-07-05","16:23:50",""
"7716282","8.9004","0.0004","14.5127","0.0008","9.62","0.0004","90","","96.242","0.004","90","","1235.24","0.1","132","4","132","4","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H0.5 Fe N6 O S2 -","- C23 H26 Fe N6 O S2 -","- C46 H52 Fe2 N12 O2 S4 -","2","1","","Regueiro, Alejandro; García-López, Víctor; Forment-Aliaga, Alicia; Clemente-León, Miguel","Chiral spin-crossover complexes based on an enantiopure Schiff base ligand with three chiral carbon centers.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10637","10643","10.1039/d4dt00924j","","x-ray","0.71073","MoKα","","0.1173","0.0634","","","0.0954","0.1167","","","","","","1.005","","","","has coordinates,has disorder","293065","2024-07-05","16:23:50",""
"7716283","8.8517","0.0003","14.4554","0.0005","9.5844","0.0003","90","","96.324","0.003","90","","1218.91","0.07","92","3","92","3","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H26 Fe N6 O S2 -","- C23 H26 Fe N6 O S2 -","- C46 H52 Fe2 N12 O2 S4 -","2","1","","Regueiro, Alejandro; García-López, Víctor; Forment-Aliaga, Alicia; Clemente-León, Miguel","Chiral spin-crossover complexes based on an enantiopure Schiff base ligand with three chiral carbon centers.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10637","10643","10.1039/d4dt00924j","","x-ray","0.71073","MoKα","","0.0936","0.0589","","","0.0875","0.103","","","","","","1.021","","","","has coordinates,has disorder","293065","2024-07-05","16:23:50",""
"7716284","9.025","0.0004","14.7281","0.0008","9.794","0.0004","90","","96.401","0.004","90","","1293.71","0.11","401","1","401","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H26 Fe N6 O S2 -","- C23 H26 Fe N6 O S2 -","- C46 H52 Fe2 N12 O2 S4 -","2","1","","Regueiro, Alejandro; García-López, Víctor; Forment-Aliaga, Alicia; Clemente-León, Miguel","Chiral spin-crossover complexes based on an enantiopure Schiff base ligand with three chiral carbon centers.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10637","10643","10.1039/d4dt00924j","","x-ray","0.71073","MoKα","","0.2071","0.0617","","","0.0864","0.1407","","","","","","0.995","","","","has coordinates","293065","2024-07-05","16:23:50",""
"7716285","8.9656","0.0005","14.5928","0.0009","9.6785","0.0005","90","","96.291","0.005","90","","1258.64","0.12","202","3","202","3","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H26 Fe N6 O S2 -","- C23 H26 Fe N6 O S2 -","- C46 H52 Fe2 N12 O2 S4 -","2","1","","Regueiro, Alejandro; García-López, Víctor; Forment-Aliaga, Alicia; Clemente-León, Miguel","Chiral spin-crossover complexes based on an enantiopure Schiff base ligand with three chiral carbon centers.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10637","10643","10.1039/d4dt00924j","","x-ray","0.71073","MoKα","","0.1322","0.0635","","","0.091","0.1167","","","","","","1.002","","","","has coordinates,has disorder","293065","2024-07-05","16:23:50",""
"7716286","8.9762","0.0008","14.6245","0.0011","9.7166","0.0006","90","","96.509","0.007","90","","1267.3","0.17","249.9","0.14","249.9","0.14","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H26 Fe N6 O S2 -","- C23 H26 Fe N6 O S2 -","- C46 H52 Fe2 N12 O2 S4 -","2","1","","Regueiro, Alejandro; García-López, Víctor; Forment-Aliaga, Alicia; Clemente-León, Miguel","Chiral spin-crossover complexes based on an enantiopure Schiff base ligand with three chiral carbon centers.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10637","10643","10.1039/d4dt00924j","","x-ray","0.71073","MoKα","","0.1132","0.0556","","","0.0987","0.1261","","","","","","1.005","","","","has coordinates,has disorder","293065","2024-07-05","16:23:50",""
"7716287","8.9161","0.0004","14.5306","0.0006","9.6438","0.0004","90","","96.383","0.004","90","","1241.67","0.09","149.8","0.4","149.8","0.4","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H25 Fe N6 O S2 -","- C23 H25 Fe N6 O S2 -","- C46 H50 Fe2 N12 O2 S4 -","2","1","","Regueiro, Alejandro; García-López, Víctor; Forment-Aliaga, Alicia; Clemente-León, Miguel","Chiral spin-crossover complexes based on an enantiopure Schiff base ligand with three chiral carbon centers.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10637","10643","10.1039/d4dt00924j","","x-ray","0.71073","MoKα","","0.0839","0.0538","","","0.1025","0.1206","","","","","","1.027","","","","has coordinates,has disorder","293065","2024-07-05","16:23:50",""
"7716288","8.967","0.0005","14.6787","0.0008","9.9286","0.0005","90","","97.401","0.005","90","","1295.95","0.12","300","0.1","300","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H25 Fe N6 O Se2 -","- C23 H25 Fe N6 O Se2 -","- C46 H50 Fe2 N12 O2 Se4 -","2","1","","Regueiro, Alejandro; García-López, Víctor; Forment-Aliaga, Alicia; Clemente-León, Miguel","Chiral spin-crossover complexes based on an enantiopure Schiff base ligand with three chiral carbon centers.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10637","10643","10.1039/d4dt00924j","","x-ray","0.71073","MoKα","","0.2576","0.0725","","","0.087","0.1323","","","","","","0.946","","","","has coordinates,has disorder","293065","2024-07-05","16:23:50",""
"7716289","9.0034","0.0012","14.735","0.003","9.9527","0.0014","90","","97.345","0.013","90","","1309.5","0.4","340","0.14","340","0.14","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H26 Fe N6 O Se2 -","- C23 H26 Fe N6 O Se2 -","- C46 H52 Fe2 N12 O2 Se4 -","2","1","","Regueiro, Alejandro; García-López, Víctor; Forment-Aliaga, Alicia; Clemente-León, Miguel","Chiral spin-crossover complexes based on an enantiopure Schiff base ligand with three chiral carbon centers.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10637","10643","10.1039/d4dt00924j","","x-ray","0.71073","MoKα","","0.1893","0.0653","","","0.0888","0.1342","","","","","","0.94","","","","has coordinates","293065","2024-07-05","16:23:50",""
"7716290","8.9966","0.0004","14.6464","0.0006","9.7359","0.0003","90","","96.448","0.003","90","","1274.76","0.09","299.95","0.1","299.95","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H26 Fe N6 O S2 -","- C23 H26 Fe N6 O S2 -","- C46 H52 Fe2 N12 O2 S4 -","2","1","","Regueiro, Alejandro; García-López, Víctor; Forment-Aliaga, Alicia; Clemente-León, Miguel","Chiral spin-crossover complexes based on an enantiopure Schiff base ligand with three chiral carbon centers.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10637","10643","10.1039/d4dt00924j","","x-ray","0.71073","MoKα","","0.1337","0.0562","","","0.0895","0.1213","","","","","","1.012","","","","has coordinates,has disorder","293065","2024-07-05","16:23:50",""
"7716291","8.8449","0.0005","14.4593","0.0007","9.6066","0.0004","90","","96.395","0.004","90","","1220.95","0.1","92.05","0.1","92.05","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H26 Fe N6 O S2 -","- C23 H26 Fe N6 O S2 -","- C46 H52 Fe2 N12 O2 S4 -","2","1","","Regueiro, Alejandro; García-López, Víctor; Forment-Aliaga, Alicia; Clemente-León, Miguel","Chiral spin-crossover complexes based on an enantiopure Schiff base ligand with three chiral carbon centers.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10637","10643","10.1039/d4dt00924j","","x-ray","0.71073","MoKα","","0.0693","0.0486","","","0.091","0.1031","","","","","","1.023","","","","has coordinates,has disorder","293065","2024-07-05","16:23:50",""
"7716292","9.0291","0.0006","14.7931","0.001","9.9962","0.0007","90","","97.426","0.007","90","","1323.98","0.16","400","0.1","400","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H26 Fe N6 O Se2 -","- C23 H26 Fe N6 O Se2 -","- C46 H52 Fe2 N12 O2 Se4 -","2","1","","Regueiro, Alejandro; García-López, Víctor; Forment-Aliaga, Alicia; Clemente-León, Miguel","Chiral spin-crossover complexes based on an enantiopure Schiff base ligand with three chiral carbon centers.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10637","10643","10.1039/d4dt00924j","","x-ray","0.71073","MoKα","","0.2473","0.0675","","","0.1219","0.1869","","","","","","0.943","","","","has coordinates","293065","2024-07-05","16:23:50",""
"7716293","14.871","0.0004","13.4451","0.0004","24.1768","0.0009","90","","93.522","0.001","90","","4824.8","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H29 Fe N4 O4 Se -","- C24 H29 Fe N4 O4 Se -","- C192 H232 Fe8 N32 O32 Se8 -","8","2","","Bridová, Terézia; Rajnák, Cyril; Titiš, Ján; Samoľová, Erika; Tran, Kevin; Malina, Ondřéj; Bieńko, Alina; Renz, Franz; Gembický, Milan; Boča, Roman","A mononuclear Fe(III) complex showing thermally induced spin crossover and slow magnetic relaxation with reciprocating thermal behaviour.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","10824","10828","10.1039/d4dt00642a","","","0.71073","MoKα","","0.03","0.0254","","","0.0693","0.0725","","","","","","1.026","","","","has coordinates,has disorder","293035","2024-07-05","16:09:29",""
"7716294","15.4057","0.0017","13.593","0.002","24.03","0.003","90","","93.079","0.004","90","","5024.9","1.1","293.15","","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H29 Fe N4 O4 Se -","- C24 H29 Fe N4 O4 Se -","- C192 H232 Fe8 N32 O32 Se8 -","8","2","","Bridová, Terézia; Rajnák, Cyril; Titiš, Ján; Samoľová, Erika; Tran, Kevin; Malina, Ondřéj; Bieńko, Alina; Renz, Franz; Gembický, Milan; Boča, Roman","A mononuclear Fe(III) complex showing thermally induced spin crossover and slow magnetic relaxation with reciprocating thermal behaviour.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","10824","10828","10.1039/d4dt00642a","","","0.71073","MoKα","","0.066","0.0408","","","0.1019","0.1159","","","","","","1.02","","","","has coordinates,has disorder","293035","2024-07-05","16:09:30",""
"7716295","13.1607","0.0002","13.4638","0.0003","18.5572","0.0003","74.144","0.002","70.026","0.002","67.7","0.002","2820.02","0.1","150","0.1","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C65.3 H65.8 Cl2.8 N O2.6 P2 Ru -","- C65.3 H65.8 Cl2.8 N O2.6 P2 Ru -","- C130.6 H131.6 Cl5.6 N2 O5.2 P4 Ru2 -","2","1","","Gourkhede, Rani; Kaur, Bhupinder; Kote, Basvaraj S.; Balakrishna, Maravanji S.","Arene displacement, C-H activation and acetonitrile insertion reactions enabled by coordination of a functionalized iminophosphorane to a Ru<sup>II</sup>-<i>p</i>-cymene scaffold.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10693","10703","10.1039/d4dt00940a","","","0.71073","MoKα","","0.0431","0.0363","","","0.0865","0.0918","","","","","","1.025","","","","has coordinates,has disorder","293075","2024-07-05","16:30:58",""
"7716296","18.7777","0.0002","11.3055","0.0001","17.3485","0.0002","90","","100.652","0.001","90","","3619.47","0.07","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H41 Cl2 N P2 Ru -","- C41 H41 Cl2 N P2 Ru -","- C164 H164 Cl8 N4 P8 Ru4 -","4","1","","Gourkhede, Rani; Kaur, Bhupinder; Kote, Basvaraj S.; Balakrishna, Maravanji S.","Arene displacement, C-H activation and acetonitrile insertion reactions enabled by coordination of a functionalized iminophosphorane to a Ru<sup>II</sup>-<i>p</i>-cymene scaffold.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10693","10703","10.1039/d4dt00940a","","x-ray","0.71073","MoKα","","0.0485","0.0372","","","0.088","0.0946","","","","","","1.035","","","","has coordinates","293075","2024-07-05","16:30:58",""
"7716297","14.4145","0.0008","15.8158","0.0008","23.9074","0.0013","90","","102.198","0.002","90","","5327.3","0.5","300","","300","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C59.218 H50.435 Cl3.435 N O P2 Ru -","- C58.73 H49.46 Cl2.46 N O P2 Ru -","- C234.92 H197.84 Cl9.84 N4 O4 P8 Ru4 -","4","1","","Gourkhede, Rani; Kaur, Bhupinder; Kote, Basvaraj S.; Balakrishna, Maravanji S.","Arene displacement, C-H activation and acetonitrile insertion reactions enabled by coordination of a functionalized iminophosphorane to a Ru<sup>II</sup>-<i>p</i>-cymene scaffold.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10693","10703","10.1039/d4dt00940a","","","0.71073","MoKα","","0.0777","0.0466","","","0.1104","0.1347","","","","","","1.0877","","","","has coordinates","293075","2024-07-05","16:30:58",""
"7716298","13.422","0.004","21.209","0.005","24.41","0.007","90","","99.495","0.011","90","","6854","3","150","2","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C67.6 H64.2 B2 Cl3.2 F8 N5 P2 Ru -","- C67.6 H64.2 B2 Cl3.2 F8 N5 P2 Ru -","- C270.4 H256.8 B8 Cl12.8 F32 N20 P8 Ru4 -","4","1","","Gourkhede, Rani; Kaur, Bhupinder; Kote, Basvaraj S.; Balakrishna, Maravanji S.","Arene displacement, C-H activation and acetonitrile insertion reactions enabled by coordination of a functionalized iminophosphorane to a Ru<sup>II</sup>-<i>p</i>-cymene scaffold.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10693","10703","10.1039/d4dt00940a","","","0.71073","MoKα","","0.0664","0.048","","","0.1219","0.1342","","","","","","1.0572","","","","has coordinates,has disorder","293075","2024-07-05","16:30:58",""
"7716299","9.262","0.0004","17.7607","0.0006","56.0109","0.0019","90","","90","","90","","9213.8","0.6","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C51 H63 D6 Fe N4 P Si2 -","- C51 H63 D6 Fe N4 P Si2 -","- C408 H504 D48 Fe8 N32 P8 Si16 -","8","1","","Sun, Xiaofei; Jin, Da; Maier, Stefanie; Hinz, Alexander; Roesky, Peter W.","Reactivities of phosphaalkynes towards diverse bis-silylenes.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10220","10225","10.1039/d4dt01367k","","x-ray","0.71073","MoKα","","0.0667","0.0399","","","0.0889","0.1003","","","","","","1.024","","","","has coordinates","292997","2024-07-05","15:53:01",""
"7716300","10.5917","0.0005","12.9028","0.0006","18.5962","0.0009","78.204","0.004","74.953","0.004","69.055","0.004","2274.5","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H69 N6 P Si2 -","- C45 H69 N6 P Si2 -","- C90 H138 N12 P2 Si4 -","2","1","","Sun, Xiaofei; Jin, Da; Maier, Stefanie; Hinz, Alexander; Roesky, Peter W.","Reactivities of phosphaalkynes towards diverse bis-silylenes.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10220","10225","10.1039/d4dt01367k","","x-ray","0.71073","MoKα","","0.0771","0.0705","","","0.1848","0.1957","","","","","","1.043","","","","has coordinates,has disorder","292997","2024-07-05","15:53:12",""
"7716301","45.988","0.0012","12.9413","0.0002","20.6901","0.0005","90","","112.909","0.002","90","","11342.4","0.5","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C58 H73 Cl D9 Ga Ge N4 P -","- C58 H73 Cl D9 Ga Ge N4 P -","- C464 H584 Cl8 D72 Ga8 Ge8 N32 P8 -","8","1","","Sun, Xiaofei; Jin, Da; Maier, Stefanie; Hinz, Alexander; Roesky, Peter W.","Reactivities of phosphaalkynes towards diverse bis-silylenes.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10220","10225","10.1039/d4dt01367k","","x-ray","0.71073","MoKα","","0.0807","0.0513","","","0.123","0.1389","","","","","","1.027","","","","has coordinates,has disorder","292997","2024-07-05","15:53:13",""
"7716302","11.5007","0.0017","19.956","0.003","21.117","0.003","90","","94.297","0.011","90","","4832.9","1.2","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H74 B10 N4 O0.5 P Si3 -","- C40 H74 B10 N4 O0.5 P Si3 -","- C160 H296 B40 N16 O2 P4 Si12 -","4","1","","Sun, Xiaofei; Jin, Da; Maier, Stefanie; Hinz, Alexander; Roesky, Peter W.","Reactivities of phosphaalkynes towards diverse bis-silylenes.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10220","10225","10.1039/d4dt01367k","","x-ray","0.71073","MoKα","","0.1517","0.0803","","","0.1776","0.2178","","","","","","1.011","","","","has coordinates,has disorder","292997","2024-07-05","15:53:13",""
"7716303","8.1724","0.001","26.209","0.002","23.09","0.002","90","","91.734","0.006","90","","4943.4","0.8","250","","250.15","","","","","","","","","6","I 1 a 1","I -2ya","9","","","","- C48 H25 Cu Fe N4 O9 -","- C48 H25 Cu Fe N4 O9 -","- C192 H100 Cu4 Fe4 N16 O36 -","4","1","","Zhang, Zhitao; Shen, Kesheng; Zhang, Qian; Duan, Chunying; Jing, Xu","A novel porphyrin MOF catalyst for efficient conversion of CO<sub>2</sub> with propargyl amines.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10060","10064","10.1039/d4dt01063a","","","0.71073","MoKα","","0.1972","0.1352","","","0.3214","0.3778","","","","","","1.023","","","","has coordinates","293004","2024-07-05","15:57:27",""
"7716304","42.886","0.0013","10.366","0.0003","17.4312","0.0006","90","","108.676","0.001","90","","7341.1","0.4","180","","180","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H59 Mg N2 O -","- C40 H59 Mg N2 O -","- C320 H472 Mg8 N16 O8 -","8","1","","Qu, Yao; Xi, Zhixian; Sun, Zhenzhou; Yang, Li; Liu, Rui; Dong, Ben; Wu, Biao; Yang, Xiao-Juan","Activation of cyclopentadiene derivatives by an α-diimine-ligated Mg-Mg-bonded compound.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10065","10069","10.1039/d4dt01038h","","","0.71073","MoKα","","0.1203","0.0633","","","0.1579","0.1869","","","","","","1.032","","","","has coordinates","292991","2024-07-05","15:49:00",""
"7716305","22.2816","0.0008","8.9404","0.0003","19.545","0.0006","90","","90","","90","","3893.5","0.2","180","0.1","180","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C41 H61 K Mg N2 O -","- C41 H61 K Mg N2 O -","- C164 H244 K4 Mg4 N8 O4 -","4","1","","Qu, Yao; Xi, Zhixian; Sun, Zhenzhou; Yang, Li; Liu, Rui; Dong, Ben; Wu, Biao; Yang, Xiao-Juan","Activation of cyclopentadiene derivatives by an α-diimine-ligated Mg-Mg-bonded compound.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10065","10069","10.1039/d4dt01038h","","x-ray","0.71073","MoKα","","0.0429","0.0352","","","0.0884","0.0925","","","","","","1.048","","","","has coordinates,has disorder","292991","2024-07-05","15:49:01",""
"7716306","18.8718","0.0008","24.4841","0.001","24.609","0.0007","90","","101.445","0.004","90","","11144.7","0.7","100","0.1","100.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C100 H148 K4 Mg2 N8 O3 -","- C100 H148 K4 Mg2 N8 O3 -","- C400 H592 K16 Mg8 N32 O12 -","4","0.5","","Qu, Yao; Xi, Zhixian; Sun, Zhenzhou; Yang, Li; Liu, Rui; Dong, Ben; Wu, Biao; Yang, Xiao-Juan","Activation of cyclopentadiene derivatives by an α-diimine-ligated Mg-Mg-bonded compound.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10065","10069","10.1039/d4dt01038h","","","0.71073","MoKα","","0.0813","0.0649","","","0.1871","0.1964","","","","","","1.095","","","","has coordinates,has disorder","292991","2024-07-05","15:49:01",""
"7716307","14.5241","0.0004","13.6671","0.0003","12.3015","0.0004","90","","113.557","0.003","90","","2238.38","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 Eu2 N2 O21 -","- C10 H20 Eu2 N2 O21 -","- C40 H80 Eu8 N8 O84 -","4","1","","Liang, Fenglan; Ma, Deyun; Qin, Liang; Yu, Qiuqun; Chen, Jing; Liang, Rongxi; Zhong, Changheng; Liao, Huanzong; Peng, Zhiyi","<i>In situ</i> generated 2,5-pyrazinedicarboxylate and oxalate ligands leading to a Eu-MOF for selective capture of C<sub>2</sub>H<sub>2</sub> from C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2024","53","24","10070","10074","10.1039/d4dt01168f","","","1.54184","CuKα","","0.0607","0.0441","","","0.1082","0.1186","","","","","","1.046","","","","has coordinates","293007","2024-07-05","15:58:07",""
"7716308","9.8727","0.001","10.5653","0.0009","14.2599","0.0014","107.461","0.003","93.163","0.003","113.351","0.003","1276.7","0.2","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C26 H39 N2 O Sb -","- C26 H39 N2 O Sb -","- C52 H78 N4 O2 Sb2 -","2","1","","Dunes, Gabriel; Cordier, Marie; Kahlal, Samia; Pollnitz, Alpar; Saillard, Jean-Yves; Silvestru, Cristian; Sarazin, Yann","C–H Bond Activation at Antimony(III): Synthesis and Reactivity of Sb(III)-Oxyaryl Species","Dalton Transactions","2024","","","","","10.1039/D4DT01400F","","x-ray","0.71073","MoKα","","0.0171","0.0158","","","0.0388","0.0394","","","","","","1.069","","","","has coordinates","292210","2024-06-05","22:51:17",""
"7716309","9.7009","0.0008","17.2182","0.0017","18.3636","0.0018","90","","102.303","0.003","90","","2996.9","0.5","150","2","150","2","","","","","","","synthesis as described","7","C 1 c 1","C -2yc","9","","","","- C27 H40 Cl3 D2 N2 O Sb -","- C27 H40 Cl3 D2 N2 O Sb -","- C108 H160 Cl12 D8 N8 O4 Sb4 -","4","1","","Dunes, Gabriel; Cordier, Marie; Kahlal, Samia; Pollnitz, Alpar; Saillard, Jean-Yves; Silvestru, Cristian; Sarazin, Yann","C–H Bond Activation at Antimony(III): Synthesis and Reactivity of Sb(III)-Oxyaryl Species","Dalton Transactions","2024","","","","","10.1039/D4DT01400F","","x-ray","0.71073","MoKα","","0.0259","0.0252","","","0.0579","0.0581","","","","","","1.157","","","","has coordinates","292210","2024-06-05","22:51:18",""
"7716310","11.7279","0.0012","14.3207","0.0015","19.0667","0.0019","88.065","0.004","81.938","0.004","78.543","0.004","3107.4","0.6","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C62 H42 B2 F30 N3 O Sb -","- C62 H42 B2 F30 N3 O Sb -","- C124 H84 B4 F60 N6 O2 Sb2 -","2","1","","Dunes, Gabriel; Cordier, Marie; Kahlal, Samia; Pollnitz, Alpar; Saillard, Jean-Yves; Silvestru, Cristian; Sarazin, Yann","C–H Bond Activation at Antimony(III): Synthesis and Reactivity of Sb(III)-Oxyaryl Species","Dalton Transactions","2024","","","","","10.1039/D4DT01400F","","x-ray","0.71073","MoKα","","0.0412","0.0346","","","0.0716","0.0743","","","","","","1.083","","","","has coordinates,has disorder","292210","2024-06-05","22:51:18",""
"7716311","9.7653","0.0003","21.1742","0.0007","15.8732","0.0005","90","","100.809","0.001","90","","3223.91","0.18","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","DG167","","","- C34 H55 N2 O Sb -","- C34 H55 N2 O Sb -","- C136 H220 N8 O4 Sb4 -","4","1","","Dunes, Gabriel; Cordier, Marie; Kahlal, Samia; Pollnitz, Alpar; Saillard, Jean-Yves; Silvestru, Cristian; Sarazin, Yann","C–H Bond Activation at Antimony(III): Synthesis and Reactivity of Sb(III)-Oxyaryl Species","Dalton Transactions","2024","","","","","10.1039/D4DT01400F","","x-ray","0.71073","MoKα","","0.0237","0.0192","","","0.0418","0.044","","","","","","1.048","","","","has coordinates,has disorder","292210","2024-06-05","22:51:18",""
"7716312","10.2127","0.001","25.78","0.002","12.4202","0.0013","90","","93.905","0.004","90","","3262.4","0.5","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 N3 O S2 Sb -","- C32 H44 N3 O S2 Sb -","- C128 H176 N12 O4 S8 Sb4 -","4","1","","Dunes, Gabriel; Cordier, Marie; Kahlal, Samia; Pollnitz, Alpar; Saillard, Jean-Yves; Silvestru, Cristian; Sarazin, Yann","C–H Bond Activation at Antimony(III): Synthesis and Reactivity of Sb(III)-Oxyaryl Species","Dalton Transactions","2024","","","","","10.1039/D4DT01400F","","x-ray","0.71073","MoKα","","0.0275","0.0238","","","0.0494","0.0507","","","","","","1.074","","","","has coordinates","292210","2024-06-05","22:51:19",""
"7716313","8.7432","0.0009","17.2545","0.0017","16.9471","0.0018","90","","101.901","0.004","90","","2501.7","0.4","150","2","150","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C12 H19 I2 N2 Sb -","- C12 H19 I2 N2 Sb -","- C72 H114 I12 N12 Sb6 -","6","3","","Dunes, Gabriel; Cordier, Marie; Kahlal, Samia; Pollnitz, Alpar; Saillard, Jean-Yves; Silvestru, Cristian; Sarazin, Yann","C–H Bond Activation at Antimony(III): Synthesis and Reactivity of Sb(III)-Oxyaryl Species","Dalton Transactions","2024","","","","","10.1039/D4DT01400F","","x-ray","0.71073","MoKα","","0.0354","0.0342","","","0.0726","0.0731","","","","","","1.15","","","","has coordinates","292210","2024-06-05","22:51:19",""
"7716314","21.5783","0.0013","21.5783","","9.3024","0.0006","90","","90","","90","","4331.4","0.4","150","2","150","2","","","","","","","synthesis as described","5","I -4","I -4","82","","","","- C92 H128 N4 O4 Sb4 -","- C92 H128 N4 O4 Sb4 -","- C184 H256 N8 O8 Sb8 -","2","0.25","","Dunes, Gabriel; Cordier, Marie; Kahlal, Samia; Pollnitz, Alpar; Saillard, Jean-Yves; Silvestru, Cristian; Sarazin, Yann","C–H Bond Activation at Antimony(III): Synthesis and Reactivity of Sb(III)-Oxyaryl Species","Dalton Transactions","2024","","","","","10.1039/D4DT01400F","","x-ray","0.71073","MoKα","","0.0275","0.0259","","","0.0647","0.0659","","","","","","1.033","","","","has coordinates","292210","2024-06-05","22:51:19",""
"7716315","23.168","0.005","24.785","0.005","14.62","0.003","90","","90","","90","","8395","3","223","2","223","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C132 H156 Cl6 N12 Ni3 O62 -","- C111 H88 Cl6 N12 Ni3 O55 -","- C222 H176 Cl12 N24 Ni6 O110 -","2","0.5","","Kim, Dongwon; Kim, Gyeongmin; Kim, Gyeongwoo; Park, Junmyeong; Han, Jihun; Hossain, Mohammad Mozammal; Jung, Ok-Sang; Lee, Young-A","M(II) effect on encapsulation of guests into a series of M<sub>3</sub>L<sub>2</sub> chiral cages: enantio-recognition.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10704","10711","10.1039/d4dt01198h","","","0.7","synchrotron","","0.063","0.0611","","","0.1983","0.2035","","","","","","1.158","","","","has coordinates,has disorder","293070","2024-07-05","16:26:35",""
"7716316","23.136","0.005","24.872","0.005","14.593","0.003","90","","90","","90","","8397","3","223","2","223","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C132 H156 Cl6 N12 Ni3 O62 -","- C111 H90 Cl6 N12 Ni3 O55 -","- C222 H180 Cl12 N24 Ni6 O110 -","2","0.5","","Kim, Dongwon; Kim, Gyeongmin; Kim, Gyeongwoo; Park, Junmyeong; Han, Jihun; Hossain, Mohammad Mozammal; Jung, Ok-Sang; Lee, Young-A","M(II) effect on encapsulation of guests into a series of M<sub>3</sub>L<sub>2</sub> chiral cages: enantio-recognition.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10704","10711","10.1039/d4dt01198h","","","0.7","synchrotron","","0.0629","0.0607","","","0.1827","0.1865","","","","","","1.089","","","","has coordinates,has disorder","293070","2024-07-05","16:26:35",""
"7716317","23.292","0.005","24.799","0.005","14.573","0.003","90","","90","","90","","8418","3","223","2","223","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C132 H156 Cl6 N12 O62 Zn3 -","- C111 H90 Cl6 N12 O55 Zn3 -","- C222 H180 Cl12 N24 O110 Zn6 -","2","0.5","","Kim, Dongwon; Kim, Gyeongmin; Kim, Gyeongwoo; Park, Junmyeong; Han, Jihun; Hossain, Mohammad Mozammal; Jung, Ok-Sang; Lee, Young-A","M(II) effect on encapsulation of guests into a series of M<sub>3</sub>L<sub>2</sub> chiral cages: enantio-recognition.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10704","10711","10.1039/d4dt01198h","","","0.73","synchrotron","","0.179","0.1148","","","0.301","0.3346","","","","","","0.98","","","","has coordinates,has disorder","293070","2024-07-05","16:26:35",""
"7716318","23.034","0.005","24.982","0.005","14.522","0.003","90","","90","","90","","8356","3","223","2","223","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C132 H150 Cl6 Cu3 N12 O59 -","- C111 H90 Cl6 Cu3 N12 O52 -","- C222 H180 Cl12 Cu6 N24 O104 -","2","0.5","","Kim, Dongwon; Kim, Gyeongmin; Kim, Gyeongwoo; Park, Junmyeong; Han, Jihun; Hossain, Mohammad Mozammal; Jung, Ok-Sang; Lee, Young-A","M(II) effect on encapsulation of guests into a series of M<sub>3</sub>L<sub>2</sub> chiral cages: enantio-recognition.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10704","10711","10.1039/d4dt01198h","","","0.7","synchrotron","","0.0543","0.0519","","","0.1595","0.1629","","","","","","1.071","","","","has coordinates,has disorder","293070","2024-07-05","16:26:35",""
"7716319","23.255","0.005","24.745","0.005","14.51","0.003","90","","90","","90","","8350","3","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C135 H174 Cl6 N12 Ni3 O61 -","- C119 H110 Cl6 N12 Ni3 O57 -","- C238 H220 Cl12 N24 Ni6 O114 -","2","0.5","","Kim, Dongwon; Kim, Gyeongmin; Kim, Gyeongwoo; Park, Junmyeong; Han, Jihun; Hossain, Mohammad Mozammal; Jung, Ok-Sang; Lee, Young-A","M(II) effect on encapsulation of guests into a series of M<sub>3</sub>L<sub>2</sub> chiral cages: enantio-recognition.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10704","10711","10.1039/d4dt01198h","","","0.7","synchrotron","","0.0628","0.0615","","","0.185","0.1882","","","","","","1.019","","","","has coordinates,has disorder","293070","2024-07-05","16:26:35",""
"7716320","22.963","0.005","24.98","0.005","14.527","0.003","90","","90","","90","","8333","3","223","2","223","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C264 H300 Cl12 Cu6 N24 O118 -","- C222 H180 Cl12 Cu6 N24 O104 -","- C222 H180 Cl12 Cu6 N24 O104 -","1","0.25","","Kim, Dongwon; Kim, Gyeongmin; Kim, Gyeongwoo; Park, Junmyeong; Han, Jihun; Hossain, Mohammad Mozammal; Jung, Ok-Sang; Lee, Young-A","M(II) effect on encapsulation of guests into a series of M<sub>3</sub>L<sub>2</sub> chiral cages: enantio-recognition.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10704","10711","10.1039/d4dt01198h","","","0.7","synchrotron","","0.0711","0.0592","","","0.1664","0.1765","","","","","","0.995","","","","has coordinates,has disorder","293070","2024-07-05","16:26:35",""
"7716321","23.205","0.005","24.806","0.005","14.483","0.003","90","","90","","90","","8337","3","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C135 H174 Cl6 N12 Ni3 O61 -","- C119 H110 Cl6 N12 Ni3 O57 -","- C238 H220 Cl12 N24 Ni6 O114 -","2","0.5","","Kim, Dongwon; Kim, Gyeongmin; Kim, Gyeongwoo; Park, Junmyeong; Han, Jihun; Hossain, Mohammad Mozammal; Jung, Ok-Sang; Lee, Young-A","M(II) effect on encapsulation of guests into a series of M<sub>3</sub>L<sub>2</sub> chiral cages: enantio-recognition.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10704","10711","10.1039/d4dt01198h","","","0.7","synchrotron","","0.0901","0.0767","","","0.2404","0.258","","","","","","1.093","","","","has coordinates,has disorder","293070","2024-07-05","16:26:35",""
"7716322","23.225","0.005","24.677","0.005","14.453","0.003","90","","90","","90","","8283","3","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C135 H174 Cl6 N12 Ni3 O61 -","- C119 H110 Cl6 N12 Ni3 O57 -","- C238 H220 Cl12 N24 Ni6 O114 -","2","0.5","","Kim, Dongwon; Kim, Gyeongmin; Kim, Gyeongwoo; Park, Junmyeong; Han, Jihun; Hossain, Mohammad Mozammal; Jung, Ok-Sang; Lee, Young-A","M(II) effect on encapsulation of guests into a series of M<sub>3</sub>L<sub>2</sub> chiral cages: enantio-recognition.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10704","10711","10.1039/d4dt01198h","","","0.7","synchrotron","","0.0671","0.0656","","","0.2203","0.2253","","","","","","1.184","","","","has coordinates,has disorder","293070","2024-07-05","16:26:35",""
"7716323","23.201","0.005","24.714","0.005","14.446","0.003","90","","90","","90","","8283","3","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C135 H174 Cl6 N12 Ni3 O61 -","- C119 H110 Cl6 N12 Ni3 O57 -","- C238 H220 Cl12 N24 Ni6 O114 -","2","0.5","","Kim, Dongwon; Kim, Gyeongmin; Kim, Gyeongwoo; Park, Junmyeong; Han, Jihun; Hossain, Mohammad Mozammal; Jung, Ok-Sang; Lee, Young-A","M(II) effect on encapsulation of guests into a series of M<sub>3</sub>L<sub>2</sub> chiral cages: enantio-recognition.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10704","10711","10.1039/d4dt01198h","","","0.7","synchrotron","","0.087","0.0744","","","0.2298","0.2467","","","","","","1.131","","","","has coordinates,has disorder","293070","2024-07-05","16:26:35",""
"7716324","23.173","0.003","24.84","0.003","14.5386","0.0018","90","","90","","90","","8368.7","1.8","193","2","193","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C132 H156 Cl6 N12 O62 Zn3 -","- C111 H90 Cl6 N12 O55 Zn3 -","- C222 H180 Cl12 N24 O110 Zn6 -","2","0.5","","Kim, Dongwon; Kim, Gyeongmin; Kim, Gyeongwoo; Park, Junmyeong; Han, Jihun; Hossain, Mohammad Mozammal; Jung, Ok-Sang; Lee, Young-A","M(II) effect on encapsulation of guests into a series of M<sub>3</sub>L<sub>2</sub> chiral cages: enantio-recognition.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10704","10711","10.1039/d4dt01198h","","","0.71073","MoKα","","0.1071","0.0662","","","0.1778","0.2116","","","","","","1.007","","","","has coordinates,has disorder","293070","2024-07-05","16:26:35",""
"7716325","20.5632","0.0007","8.3967","0.0002","23.2444","0.0007","90","","90","","90","","4013.4","0.2","173","2","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H24 Al N O6 -","- C21 H24 Al N O6 -","- C168 H192 Al8 N8 O48 -","8","1","","Kobayashi, Fumiya; Yoshida, Azuki; Gemba, Misato; Takatsu, Yuta; Tadokoro, Makoto","Solvent vapour-responsive structural transformations in molecular crystals composed of a luminescent mononuclear aluminium(III) complex.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11689","11696","10.1039/d4dt00747f","","","0.71073","MoKα","","0.0613","0.0407","","","0.0916","0.1068","","","","","","1.071","","","","has coordinates","293840","2024-08-05","18:56:29",""
"7716326","13.6042","0.0018","8.4261","0.0011","17.987","0.002","90","","94.771","0.005","90","","2054.7","0.4","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Al N O6 S -","- C20 H24 Al N O6 S -","- C80 H96 Al4 N4 O24 S4 -","4","1","","Kobayashi, Fumiya; Yoshida, Azuki; Gemba, Misato; Takatsu, Yuta; Tadokoro, Makoto","Solvent vapour-responsive structural transformations in molecular crystals composed of a luminescent mononuclear aluminium(III) complex.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11689","11696","10.1039/d4dt00747f","","","0.71073","MoKα","","0.1184","0.0984","","","0.2526","0.2692","","","","","","1.054","","","","has coordinates","293840","2024-08-05","18:56:31",""
"7716327","20.2047","0.0013","8.4969","0.0006","22.9627","0.0015","90","","90","","90","","3942.2","0.5","173","2","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 Al N2 O5 -","- C20 H21 Al N2 O5 -","- C160 H168 Al8 N16 O40 -","8","1","","Kobayashi, Fumiya; Yoshida, Azuki; Gemba, Misato; Takatsu, Yuta; Tadokoro, Makoto","Solvent vapour-responsive structural transformations in molecular crystals composed of a luminescent mononuclear aluminium(III) complex.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11689","11696","10.1039/d4dt00747f","","","0.71073","MoKα","","0.1391","0.0655","","","0.1523","0.2035","","","","","","1.056","","","","has coordinates","293840","2024-08-05","18:56:31",""
"7716328","9.259","0.003","10.309","0.004","12.64","0.004","104.788","0.01","92.695","0.011","104.24","0.01","1122.9","0.7","158","2","158","2","","","","","","","","5","P -1","-P 1","2","CdlL1PHOH","","","- C20 H14 Cd N4 O6 -","- C20 H14 Cd N4 O6 -","- C40 H28 Cd2 N8 O12 -","2","1","","Patel, Unnati; Parmar, Bhavesh; Singh, Manpreet; Dadhania, Abhishek; Suresh, Eringathodi","A mechanochemically synthesized Schiff-base engineered 2D mixed-linker MOF for CO<sub>2</sub> capture and cationic dye removal.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","11165","11176","10.1039/d4dt00661e","","","0.71073","MoKα","","0.0823","0.0514","","","0.1042","0.1195","","","","","","1.06","","","","has coordinates","293034","2024-07-05","16:09:19",""
"7716329","42.963","0.004","4.7896","0.0005","28.28","0.003","90","","125.691","0.0017","90","","4726.3","0.8","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H42 Mg N2 O18 P2 -","- C36 H38 Mg N2 O16 P2 -","- C144 H152 Mg4 N8 O64 P8 -","4","0.5","","Zhou, Qiankun; Chen, Ming; An, Yubo; Tang, Xiaoyan; Matsuda, Ryotaro; Ma, Yunsheng","A magnesium phosphonate metal-organic framework showing excellent performance for lead(II) sensing and removal from aqueous solutions.","Dalton transactions (Cambridge, England : 2003)","2024","53","25","10416","10420","10.1039/d4dt01014k","","","0.71073","MoKα","","0.092","0.058","","","0.1336","0.147","","","","","","1.074","","","","has coordinates,has disorder","293082","2024-07-05","16:33:41",""
"7716330","11.8527","0.0009","15.5029","0.0012","16.7785","0.0012","90.574","0.003","104.148","0.002","94.183","0.003","2980.4","0.4","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","Cu(PBITA(ClO4)2","","- C51 H45 Cl7 Cu2 N12 O16 -","- C51 H45 Cl7 Cu2 N12 O16 -","- C102 H90 Cl14 Cu4 N24 O32 -","2","1","","Muley, Arabinda; Kumbhakar, Sadananda; Raut, Rajnikant; Mathur, Shobhit; Roy, Indrajit; Saini, Taruna; Misra, Ashish; Maji, Somnath","Mononuclear copper(II) complexes with polypyridyl ligands: synthesis, characterization, DNA interactions/cleavages and <i>in vitro</i> cytotoxicity towards human cancer cells.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11697","11712","10.1039/d4dt00984c","","","0.71073","MoKα","","0.1826","0.0704","","","0.1549","0.2019","","","","","","1.01","","","","has coordinates","293827","2024-08-05","18:50:15",""
"7716331","15.9793","0.0004","9.6309","0.0002","18.7031","0.0004","90","","97.713","0.002","90","","2852.27","0.11","298","","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Cu(MePBITA)]2ClO4","","- C20.8 H19.2 Cl1.6 Cu0.8 N4.8 O6.4 -","- C20.8 H19.2 Cl1.6 Cu0.8 N4.8 O6.4 -","- C104 H96 Cl8 Cu4 N24 O32 -","5","1.25","","Muley, Arabinda; Kumbhakar, Sadananda; Raut, Rajnikant; Mathur, Shobhit; Roy, Indrajit; Saini, Taruna; Misra, Ashish; Maji, Somnath","Mononuclear copper(II) complexes with polypyridyl ligands: synthesis, characterization, DNA interactions/cleavages and <i>in vitro</i> cytotoxicity towards human cancer cells.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11697","11712","10.1039/d4dt00984c","","","0.71073","MoKα","","0.0996","0.0578","","","0.1348","0.1636","","","","","","1.031","","","","has coordinates,has disorder","293827","2024-08-05","18:50:16",""
"7716332","17.2868","0.0004","20.8341","0.0005","25.0337","0.0005","85.749","0.002","89.525","0.002","68.431","0.002","8359.9","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H49 Br Cl12 F10 N8 O12 Te2 -","- C54 H49 Br Cl12 F10 N8 O12 Te2 -","- C216 H196 Br4 Cl48 F40 N32 O48 Te8 -","4","2","","Docker, Andrew; Tse, Yuen Cheong; Tay, Hui Min; Zhang, Zongyao; Beer, Paul D.","Ammonium halide selective ion pair recognition and extraction with a chalcogen bonding heteroditopic receptor.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","11141","11146","10.1039/d4dt01376j","","","1.54184","CuKα","","0.0658","0.0586","","","0.1837","0.2026","","","","","","0.862","","","","has coordinates","293038","2024-07-05","16:10:37",""
"7716333","13.5961","0.0004","14.7808","0.0005","10.8245","0.0003","90","","96.197","0.001","90","","2162.59","0.11","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 F6 N4 O2 P Ru -","- C18 H21 F6 N4 O2 P Ru -","- C72 H84 F24 N16 O8 P4 Ru4 -","4","1","","Sun, Yin-Hsuan; You, Huey-Ling; Narwane, Manmath; Koi, Ru Xin; Kao, Chai-Lin; Yuan, Shyng-Shiou F; Liao, Wei-Ting; Lu, Tsai-Te; Hsu, Sodio C. N.","A half sandwich Ru(II)-<i>p</i>-cymene nitrite complex selectively induces cell death in cisplatin-resistant malignant melanoma cells.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12620","12626","10.1039/d4dt01012d","","","0.71073","MoKα","","0.0396","0.0299","","","0.0579","0.0622","","","","","","1.082","","","","has coordinates","293875","2024-08-05","19:10:23",""
"7716334","8.179","0.0002","9.1789","0.0002","21.4433","0.0004","86.47","0.002","79.752","0.002","77.217","0.002","1544.48","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H42 Au N5 O -","- C33 H42 Au N5 O -","- C66 H84 Au2 N10 O2 -","2","1","","Kaplanai, Entzy; Tzouras, Nikolaos V.; Tsoureas, Nikolaos; Bracho Pozsoni, Nestor; Bhandary, Subhrajyoti; Van Hecke, Kristof; Nolan, Steven P.; Vougioukalakis, Georgios C.","Synthesis of N-heterocyclic carbene (NHC)-Au/Ag/Cu benzotriazolyl complexes and their catalytic activity in propargylamide cycloisomerization and carbonyl hydrosilylation reactions.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","11001","11008","10.1039/d4dt01414f","","x-ray","1.54184","CuKα","","0.0638","0.0586","","","0.1401","0.1452","","","","","","1.088","","","","has coordinates","293045","2024-07-05","16:14:00",""
"7716335","10.7992","0.0004","12.5935","0.0005","12.9797","0.0005","68.805","0.002","75.145","0.002","82.058","0.002","1588.79","0.11","293","","293","","","","","","","","","4","P -1","-P 1","2","","6a","","- C33 H40 Cu N5 -","- C33 H40 Cu N5 -","- C66 H80 Cu2 N10 -","2","1","","Kaplanai, Entzy; Tzouras, Nikolaos V.; Tsoureas, Nikolaos; Bracho Pozsoni, Nestor; Bhandary, Subhrajyoti; Van Hecke, Kristof; Nolan, Steven P.; Vougioukalakis, Georgios C.","Synthesis of N-heterocyclic carbene (NHC)-Au/Ag/Cu benzotriazolyl complexes and their catalytic activity in propargylamide cycloisomerization and carbonyl hydrosilylation reactions.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","11001","11008","10.1039/d4dt01414f","","","1.54178","CuKα","","0.0412","0.0399","","","0.1214","0.1236","","","","","","1.048","","","","has coordinates,has disorder","293045","2024-07-05","16:14:01",""
"7716336","16.4504","0.0011","12.4536","0.0008","15.0423","0.001","90","","90","","90","","3081.7","0.4","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","6b","","- C33 H42 Cu N5 -","- C33 H42 Cu N5 -","- C132 H168 Cu4 N20 -","4","1","","Kaplanai, Entzy; Tzouras, Nikolaos V.; Tsoureas, Nikolaos; Bracho Pozsoni, Nestor; Bhandary, Subhrajyoti; Van Hecke, Kristof; Nolan, Steven P.; Vougioukalakis, Georgios C.","Synthesis of N-heterocyclic carbene (NHC)-Au/Ag/Cu benzotriazolyl complexes and their catalytic activity in propargylamide cycloisomerization and carbonyl hydrosilylation reactions.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","11001","11008","10.1039/d4dt01414f","","","0.71073","MoKα","","0.0288","0.0249","","","0.062","0.0647","","","","","","1.017","","","","has coordinates","293045","2024-07-05","16:14:01",""
"7716337","21.405","0.002","14.1492","0.0012","23.243","0.002","90","","90","","90","","7039.5","1.1","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5a","","- C34 H41 Ag Cl3 N5 -","- C34 H41.0004 Ag Cl3.0012 N5 -","- C272 H328.003 Ag8 Cl24.0096 N40 -","8","1","","Kaplanai, Entzy; Tzouras, Nikolaos V.; Tsoureas, Nikolaos; Bracho Pozsoni, Nestor; Bhandary, Subhrajyoti; Van Hecke, Kristof; Nolan, Steven P.; Vougioukalakis, Georgios C.","Synthesis of N-heterocyclic carbene (NHC)-Au/Ag/Cu benzotriazolyl complexes and their catalytic activity in propargylamide cycloisomerization and carbonyl hydrosilylation reactions.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","11001","11008","10.1039/d4dt01414f","","","0.71073","MoKα","","0.0303","0.0249","","","0.0611","0.0676","","","","","","1.095","","","","has coordinates,has disorder","293045","2024-07-05","16:14:01",""
"7716338","25.543","0.004","9.225","0.002","22.485","0.003","90","","90","","90","","5298.2","1.6","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H33 Cl N2 Si2 -","- C27 H33 Cl N2 Si2 -","- C216 H264 Cl8 N16 Si16 -","8","2","","Kushvaha, Saroj Kumar; Gorantla, Sai Manoj N. V. T.; Kallenbach, Paula; Herbst-Irmer, Regine; Stalke, Dietmar; Roesky, Herbert W.","Preparation of a high-coordinated-silicon-centered spiro-cyclic compound.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11410","11416","10.1039/d4dt00627e","","","0.71073","MoKα","","0.0297","0.0268","","","0.0651","0.0668","","","","","","1.04","","","","has coordinates,has disorder","293857","2024-08-05","19:03:08",""
"7716339","10.498","0.002","10.599","0.002","17.493","0.004","72.73","0.02","85.07","0.03","75.62","0.02","1800.3","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H43 Cl N2 Si2 -","- C41 H43 Cl N2 Si2 -","- C82 H86 Cl2 N4 Si4 -","2","1","","Kushvaha, Saroj Kumar; Gorantla, Sai Manoj N. V. T.; Kallenbach, Paula; Herbst-Irmer, Regine; Stalke, Dietmar; Roesky, Herbert W.","Preparation of a high-coordinated-silicon-centered spiro-cyclic compound.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11410","11416","10.1039/d4dt00627e","","","0.71073","MoKα","","0.041","0.0325","","","0.0801","0.0849","","","","","","1.044","","","","has coordinates","293857","2024-08-05","19:03:08",""
"7716340","8.446","0.0004","9.2335","0.0004","9.9636","0.0005","90.682","0.004","108.394","0.004","90.304","0.004","737.24","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C11 H16 Cl2 N2 O S Zn -","- C11 H16 Cl2 N2 O S Zn -","- C22 H32 Cl4 N4 O2 S2 Zn2 -","2","1","","Nayab, Saira; Jan, Kalsoom; Kim, Seung-Hyeon; Kim, Sa-Hyun; Shams, Dilawar Farhan; Son, Younghu; Yoon, Minyoung; Lee, Hyosun","Insight into the inhibitory potential of metal complexes supported by (<i>E</i>)-2-morpholino-<i>N</i>-(thiophen-2-ylmethylene)ethanamine: synthesis, structural properties, biological evaluation and docking studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11295","11309","10.1039/d4dt00362d","","","0.71073","MoKα","","0.0463","0.0356","","","0.0873","0.0916","","","","","","1.073","","","","has coordinates","293855","2024-08-05","19:02:28",""
"7716341","8.403","0.0004","9.2421","0.0003","9.9135","0.0006","90.781","0.004","108.38","0.005","90.619","0.003","730.46","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Co-TEM","","- C11 H16 Cl2 Co N2 O S -","- C11 H16 Cl2 Co N2 O S -","- C22 H32 Cl4 Co2 N4 O2 S2 -","2","1","","Nayab, Saira; Jan, Kalsoom; Kim, Seung-Hyeon; Kim, Sa-Hyun; Shams, Dilawar Farhan; Son, Younghu; Yoon, Minyoung; Lee, Hyosun","Insight into the inhibitory potential of metal complexes supported by (<i>E</i>)-2-morpholino-<i>N</i>-(thiophen-2-ylmethylene)ethanamine: synthesis, structural properties, biological evaluation and docking studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11295","11309","10.1039/d4dt00362d","","","0.71073","MoKα","","0.0654","0.045","","","0.1171","0.1289","","","","","","1.062","","","","has coordinates","293855","2024-08-05","19:02:29",""
"7716342","8.6766","0.0003","15.4523","0.0006","14.447","0.0004","90","","97.237","0.003","90","","1921.53","0.11","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Cd-TEM","","- C12 H18 Br2 Cd Cl2 N2 O S -","- C12 H18 Br2 Cd Cl2 N2 O S -","- C48 H72 Br8 Cd4 Cl8 N8 O4 S4 -","4","1","","Nayab, Saira; Jan, Kalsoom; Kim, Seung-Hyeon; Kim, Sa-Hyun; Shams, Dilawar Farhan; Son, Younghu; Yoon, Minyoung; Lee, Hyosun","Insight into the inhibitory potential of metal complexes supported by (<i>E</i>)-2-morpholino-<i>N</i>-(thiophen-2-ylmethylene)ethanamine: synthesis, structural properties, biological evaluation and docking studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11295","11309","10.1039/d4dt00362d","","","0.71073","MoKα","","0.0484","0.0335","","","0.0598","0.0634","","","","","","1.038","","","","has coordinates","293855","2024-08-05","19:02:29",""
"7716343","8.1875","0.0002","25.0403","0.0005","8.7689","0.0002","90","","91.862","0.002","90","","1796.83","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Fe(II) (L4thiazole) (NCS)2]","iron(II) thiocyanate complex of tetradentate Schiff base ligand","","- C13 H12 Fe N6 S4 -","- C13 H12 Fe N6 S4 -","- C52 H48 Fe4 N24 S16 -","4","1","","Robb, Matthew G.; Chong, Shen V.; Brooker, Sally","Iron(II) spin crossover complexes of tetradentate Schiff-bases: tuning <i>T</i><sub>1/2</sub> by choice of formyl-heterocycle component.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","10974","10981","10.1039/d4dt00884g","","x-ray","1.54184","CuKα","","0.0359","0.0292","","","0.0701","0.0734","","","","","","1.021","","","","has coordinates","293037","2024-07-05","16:10:14",""
"7716344","9.0299","0.0004","24.7177","0.0009","10.4288","0.0004","90","","111.088","0.005","90","","2171.8","0.17","279.99","0.11","279.99","0.11","","","","","","","","6","P 1 21 1","P 2yb","4","[Fe(II) (LBrpyridine) (NCS)2]","iron(II) thiocyanate complex of tetradentate Schiff base ligand","","- C17 H14 Br2 Fe N6 S2 -","- C17 H14 Br2 Fe N6 S2 -","- C68 H56 Br8 Fe4 N24 S8 -","4","2","","Robb, Matthew G.; Chong, Shen V.; Brooker, Sally","Iron(II) spin crossover complexes of tetradentate Schiff-bases: tuning <i>T</i><sub>1/2</sub> by choice of formyl-heterocycle component.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","10974","10981","10.1039/d4dt00884g","","x-ray","1.54184","CuKα","","0.0844","0.0756","","","0.1915","0.21","","","","","","1.04","","","","has coordinates","293037","2024-07-05","16:10:14",""
"7716345","8.352","0.0004","11.5772","0.0005","11.6323","0.0004","72.401","0.004","88.978","0.004","85.259","0.004","1068.42","0.08","99.9","0.3","99.9","0.3","","","","","","","","6","P -1","-P 1","2","[Fe(II) (LBrpyridine) (NCS)2]","iron(II) thiocyanate complex of tetradentate Schiff base ligand","","- C17 H14 Br2 Fe N6 S2 -","- C17 H14 Br2 Fe N6 S2 -","- C34 H28 Br4 Fe2 N12 S4 -","2","1","","Robb, Matthew G.; Chong, Shen V.; Brooker, Sally","Iron(II) spin crossover complexes of tetradentate Schiff-bases: tuning <i>T</i><sub>1/2</sub> by choice of formyl-heterocycle component.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","10974","10981","10.1039/d4dt00884g","","x-ray","1.54184","CuKα","","0.078","0.0671","","","0.1822","0.198","","","","","","1.043","","","","has coordinates","293037","2024-07-05","16:10:14",""
"7716346","8.4981","0.0003","22.9024","0.0008","9.2014","0.0003","90","","93.712","0.003","90","","1787.08","0.11","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Fe(II) (L2thiazole) (NCS)2]","iron(II) thiocyanate complex of tetradentate Schiff base ligand","","- C13 H12 Fe N6 S4 -","- C13 H12 Fe N6 S4 -","- C52 H48 Fe4 N24 S16 -","4","1","","Robb, Matthew G.; Chong, Shen V.; Brooker, Sally","Iron(II) spin crossover complexes of tetradentate Schiff-bases: tuning <i>T</i><sub>1/2</sub> by choice of formyl-heterocycle component.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","10974","10981","10.1039/d4dt00884g","","x-ray","1.54184","CuKα","","0.074","0.0517","","","0.1249","0.1382","","","","","","1.067","","","","has coordinates","293037","2024-07-05","16:10:14",""
"7716347","8.6122","0.0002","24.3739","0.0004","10.6495","0.0002","90","","111.055","0.003","90","","2086.22","0.08","99.9","0.3","99.9","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Fe(II) (LBrpyridine) (NCS)2]","iron(II) thiocyanate complex of tetradentate Schiff base ligand","","- C17 H14 Br2 Fe N6 S2 -","- C17 H14 Br2 Fe N6 S2 -","- C68 H56 Br8 Fe4 N24 S8 -","4","1","","Robb, Matthew G.; Chong, Shen V.; Brooker, Sally","Iron(II) spin crossover complexes of tetradentate Schiff-bases: tuning <i>T</i><sub>1/2</sub> by choice of formyl-heterocycle component.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","10974","10981","10.1039/d4dt00884g","","x-ray","1.54184","CuKα","","0.0378","0.0352","","","0.0913","0.0937","","","","","","1.052","","","","has coordinates","293037","2024-07-05","16:10:14",""
"7716348","8.0734","0.0001","8.1467","0.0002","25.2676","0.0005","90","","94.86","0.002","90","","1655.91","0.06","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Fe(II) (L4oxazole) (NCS)2]","iron(II) thiocyanate complex of tetradentate Schiff base ligand","","- C13 H12 Fe N6 O2 S2 -","- C13 H12 Fe N6 O2 S2 -","- C52 H48 Fe4 N24 O8 S8 -","4","1","","Robb, Matthew G.; Chong, Shen V.; Brooker, Sally","Iron(II) spin crossover complexes of tetradentate Schiff-bases: tuning <i>T</i><sub>1/2</sub> by choice of formyl-heterocycle component.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","10974","10981","10.1039/d4dt00884g","","x-ray","1.54184","CuKα","","0.0457","0.0377","","","0.0948","0.1005","","","","","","1.019","","","","has coordinates,has disorder","293037","2024-07-05","16:10:14",""
"7716349","17.561","0.005","10.41","0.003","24.663","0.01","90","","106.452","0.014","90","","4324","2","150","2","150.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C84 H100.6 Gd2 N22 O13.3 -","- C84 H98 Gd2 N22 O13.3 -","- C168 H196 Gd4 N44 O26.6 -","2","0.5","","Gusev, Alexey; Nemec, Ivan; Herchel, Radovan; Baluda, Yuriy; Babeshkin, Konstantin; Efimov, Nikolay; Kiskin, Mikhail; Linert, Wolfgang","Lanthanide(III) SMMs with cationic and anionic complex fragments formed by a Schiff base: structure, luminescence, magnetic properties and <i>ab initio</i> calculations.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11531","11542","10.1039/d4dt01284d","","","0.71073","MoKα","","0.082","0.0544","","","0.0951","0.1031","","","","","","1.07","","","","has coordinates","293856","2024-08-05","19:02:47",""
"7716350","17.539","0.002","10.4381","0.001","24.728","0.002","90","","106.211","0.004","90","","4347.1","0.7","150","2","150","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C84 H99 Dy2 N22 O13 -","- C84 H98 Dy2 N22 O13 -","- C168 H196 Dy4 N44 O26 -","2","0.5","","Gusev, Alexey; Nemec, Ivan; Herchel, Radovan; Baluda, Yuriy; Babeshkin, Konstantin; Efimov, Nikolay; Kiskin, Mikhail; Linert, Wolfgang","Lanthanide(III) SMMs with cationic and anionic complex fragments formed by a Schiff base: structure, luminescence, magnetic properties and <i>ab initio</i> calculations.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11531","11542","10.1039/d4dt01284d","","","0.71073","MoKα","","0.0617","0.0424","","","0.1004","0.11","","","","","","0.991","","","","has coordinates","293856","2024-08-05","19:02:47",""
"7716351","17.603","0.012","10.429","0.01","24.755","0.014","90","","106.18","0.016","90","","4365","6","150","2","150","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C84 H99.4 N22 O13.4 Tb2 -","- C84 H98 N22 O13.4 Tb2 -","- C168 H196 N44 O26.8 Tb4 -","2","0.5","","Gusev, Alexey; Nemec, Ivan; Herchel, Radovan; Baluda, Yuriy; Babeshkin, Konstantin; Efimov, Nikolay; Kiskin, Mikhail; Linert, Wolfgang","Lanthanide(III) SMMs with cationic and anionic complex fragments formed by a Schiff base: structure, luminescence, magnetic properties and <i>ab initio</i> calculations.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11531","11542","10.1039/d4dt01284d","","","0.71073","MoKα","","0.0917","0.0565","","","0.097","0.1073","","","","","","1.035","","","","has coordinates","293856","2024-08-05","19:02:47",""
"7716352","12.1461","0.0005","15.5599","0.0007","24.8646","0.0012","90","","90","","90","","4699.2","0.4","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H74 B2 Fe N12 -","- C44 H74 B2 Fe N12 -","- C176 H296 B8 Fe4 N48 -","4","1","","Russell, Jerred J.; DeJesus, Joseph F.; Smith, Brett A.; Nalaoh, Phattananawee; Vogiatzis, Konstantinos D.; Jenkins, David M.","Disparate reactivity of a chiral iron(II) tetracarbene complex with organic azides.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","10819","10823","10.1039/d4dt01422g","","x-ray","0.71073","MoKα","","0.0353","0.0339","","","0.0877","0.0885","","","","","","1.097","","","","has coordinates","293047","2024-07-05","16:14:58",""
"7716353","11.899","0.004","13.036","0.009","13.35","0.004","90.52","0.03","107.622","0.016","112.52","0.03","1804.6","1.6","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C37 H51 B2 Fe N9 -","- C37 H51 B2 Fe N9 -","- C74 H102 B4 Fe2 N18 -","2","2","","Russell, Jerred J.; DeJesus, Joseph F.; Smith, Brett A.; Nalaoh, Phattananawee; Vogiatzis, Konstantinos D.; Jenkins, David M.","Disparate reactivity of a chiral iron(II) tetracarbene complex with organic azides.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","10819","10823","10.1039/d4dt01422g","","","0.71073","MoKα","","0.0678","0.0517","","","0.1103","0.1184","","","","","","1.052","","","","has coordinates","293047","2024-07-05","16:15:00",""
"7716354","11.6416","0.0015","13.0001","0.0015","16.3745","0.0019","84.431","0.005","71.236","0.003","66.087","0.003","2143.4","0.5","100","2","100.01","","","","","","","","","5","P 1","P 1","1","","","","- C42 H54 B2 Fe N10 -","- C42 H54 B2 Fe N10 -","- C84 H108 B4 Fe2 N20 -","2","2","","Russell, Jerred J.; DeJesus, Joseph F.; Smith, Brett A.; Nalaoh, Phattananawee; Vogiatzis, Konstantinos D.; Jenkins, David M.","Disparate reactivity of a chiral iron(II) tetracarbene complex with organic azides.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","10819","10823","10.1039/d4dt01422g","","x-ray","0.71073","MoKα","","0.0344","0.0321","","","0.08","0.0815","","","","","","1.021","","","","has coordinates","293047","2024-07-05","16:15:02",""
"7716355","11.847","0.003","12.104","0.003","16.289","0.005","105.924","0.008","97.804","0.008","98.957","0.008","2179.2","1","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C72 H116 B4 Fe2 N20 -","- C72 H116 B4 Fe2 N20 -","- C72 H116 B4 Fe2 N20 -","1","1","","Russell, Jerred J.; DeJesus, Joseph F.; Smith, Brett A.; Nalaoh, Phattananawee; Vogiatzis, Konstantinos D.; Jenkins, David M.","Disparate reactivity of a chiral iron(II) tetracarbene complex with organic azides.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","10819","10823","10.1039/d4dt01422g","","x-ray","0.71073","MoKα","","0.0427","0.0377","","","0.08","0.082","","","","","","1.024","","","","has coordinates","293047","2024-07-05","16:15:02",""
"7716356","7.786","0.003","10.093","0.003","11.219","0.004","87.523","0.009","85.753","0.01","77.44","0.008","857.8","0.5","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H14 B F2 N3 O2 -","- C21 H14 B F2 N3 O2 -","- C42 H28 B2 F4 N6 O4 -","2","1","","Sarkar, Abani; Behera, Kanhu Charan; Ravikanth, Mangalampalli","Synthesis and studies of covalently linked (BODIPY)<sub>2</sub>-3-pyrrolyl BODIPY triads.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11543","11555","10.1039/d4dt01356e","","","0.71073","MoKα","","0.0972","0.0647","","","0.1619","0.184","","","","","","1.0779","","","","has coordinates","293846","2024-08-05","18:59:38",""
"7716357","22.378","0.0011","7.7085","0.0004","18.3524","0.0008","90","","90.338","0.005","90","","3165.7","0.3","150","2","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H24 B3 F6 N7 -","- C37 H24 B3 F6 N7 -","- C148 H96 B12 F24 N28 -","4","1","","Sarkar, Abani; Behera, Kanhu Charan; Ravikanth, Mangalampalli","Synthesis and studies of covalently linked (BODIPY)<sub>2</sub>-3-pyrrolyl BODIPY triads.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11543","11555","10.1039/d4dt01356e","","","0.71073","MoKα","","0.2035","0.0761","","","0.1431","0.1841","","","","","","0.9","","","","has coordinates","293846","2024-08-05","18:59:39",""
"7716358","8.9117","0.0014","12.6161","0.0017","17.867","0.003","108.165","0.005","98.751","0.006","101.583","0.006","1819.4","0.5","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H28 B3 F6 N7 -","- C43 H28 B3 F6 N7 -","- C86 H56 B6 F12 N14 -","2","1","","Sarkar, Abani; Behera, Kanhu Charan; Ravikanth, Mangalampalli","Synthesis and studies of covalently linked (BODIPY)<sub>2</sub>-3-pyrrolyl BODIPY triads.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11543","11555","10.1039/d4dt01356e","","","0.71073","MoKα","","0.1224","0.0622","","","0.156","0.1977","","","","","","1.142","","","","has coordinates","293846","2024-08-05","18:59:39",""
"7716359","11.489","0.002","19.692","0.003","9.7156","0.0018","90","","108.98","0.007","90","","2078.6","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 B F2 N3 O2 -","- C27 H18 B F2 N3 O2 -","- C108 H72 B4 F8 N12 O8 -","4","1","","Sarkar, Abani; Behera, Kanhu Charan; Ravikanth, Mangalampalli","Synthesis and studies of covalently linked (BODIPY)<sub>2</sub>-3-pyrrolyl BODIPY triads.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11543","11555","10.1039/d4dt01356e","","","0.71073","MoKα","","0.0597","0.0545","","","0.1191","0.1218","","","","","","1.0594","","","","has coordinates","293846","2024-08-05","18:59:39",""
"7716360","12.387","0.003","7.441","0.0015","7.002","0.0014","90","","90","","90","","645.4","0.2","100","2","100","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- H8 N3 O14 U3 -","- H8 N3 O14 U3 -","- H16 N6 O28 U6 -","2","0.5","","Zhang, Yingjie; Ablott, Timothy A.; Nicholas, Maria K.; Karatchevtseva, Inna; Plášil, Jakub","Capturing ammonium nitrate in a synthetic uranium oxide hydrate phase: revealing the role of ammonium ions and anion inclusions.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","11112","11119","10.1039/d4dt01372g","","","0.71079","silicondoublecrystalmonochromatedsynchrotron","","0.0348","0.0346","","","0.0869","0.0873","","","","","","1.024","","","","has coordinates","293040","2024-07-05","16:11:21",""
"7716361","18.3268","0.0003","18.3268","0.0003","18.3268","0.0003","90","","90","","90","","6155.45","0.17","100","0.2","100","0.2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C43 H75 Cl4 Cu3 N15 O19 -","- C43 H75 Cl4 Cu3 N15 O19 -","- C172 H300 Cl16 Cu12 N60 O76 -","4","0.333333","","Jana, Narayan Ch; Sun, Yu-Chen; Herchel, Radovan; Nandy, Rakhi; Brandão, Paula; Bagh, Bidraha; Wang, Xin-Yi; Panja, Anangamohan","Chemical fixation of atmospheric CO<sub>2</sub> in tricopper(II)-carbonato complexes with tetradentate N-donor ligands: reactive intermediates, probable mechanisms, and catalytic and magneto-structural studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11514","11530","10.1039/d4dt00503a","","x-ray","0.71073","MoKα","","0.0633","0.0403","","","0.0876","0.0961","","","","","","1.048","","","","has coordinates","293847","2024-08-05","19:00:03",""
"7716362","12.1603","0.001","14.4352","0.0012","23.543","0.002","90","","103.676","0.003","90","","4015.5","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H54 Cl2 Cu2 N10 O12 -","- C30 H54 Cl2 Cu2 N10 O12 -","- C120 H216 Cl8 Cu8 N40 O48 -","4","1","","Jana, Narayan Ch; Sun, Yu-Chen; Herchel, Radovan; Nandy, Rakhi; Brandão, Paula; Bagh, Bidraha; Wang, Xin-Yi; Panja, Anangamohan","Chemical fixation of atmospheric CO<sub>2</sub> in tricopper(II)-carbonato complexes with tetradentate N-donor ligands: reactive intermediates, probable mechanisms, and catalytic and magneto-structural studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11514","11530","10.1039/d4dt00503a","","","0.71073","MoKα","","0.0908","0.0537","","","0.1236","0.1389","","","","","","1.068","","","","has coordinates","293847","2024-08-05","19:00:04",""
"7716363","16.134","0.002","8.0576","0.0012","14.526","0.002","90","","108.949","0.005","90","","1786.1","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 Cl Cu N3 O5 -","- C15 H24 Cl Cu N3 O5 -","- C60 H96 Cl4 Cu4 N12 O20 -","4","1","","Jana, Narayan Ch; Sun, Yu-Chen; Herchel, Radovan; Nandy, Rakhi; Brandão, Paula; Bagh, Bidraha; Wang, Xin-Yi; Panja, Anangamohan","Chemical fixation of atmospheric CO<sub>2</sub> in tricopper(II)-carbonato complexes with tetradentate N-donor ligands: reactive intermediates, probable mechanisms, and catalytic and magneto-structural studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11514","11530","10.1039/d4dt00503a","","","0.71073","MoKα","","0.0391","0.032","","","0.074","0.0773","","","","","","1.084","","","","has coordinates,has disorder","293847","2024-08-05","19:00:05",""
"7716364","17.8987","0.0007","17.8987","0.0007","17.8987","0.0007","90","","90","","90","","5734.1","0.4","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C43 H72 Cl4 Cu3 N12 O19 -","- C43 H72 Cl4 Cu3 N12 O19 -","- C172 H288 Cl16 Cu12 N48 O76 -","4","0.333333","","Jana, Narayan Ch; Sun, Yu-Chen; Herchel, Radovan; Nandy, Rakhi; Brandão, Paula; Bagh, Bidraha; Wang, Xin-Yi; Panja, Anangamohan","Chemical fixation of atmospheric CO<sub>2</sub> in tricopper(II)-carbonato complexes with tetradentate N-donor ligands: reactive intermediates, probable mechanisms, and catalytic and magneto-structural studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11514","11530","10.1039/d4dt00503a","","","0.71073","MoKα","","0.0325","0.0293","","","0.0732","0.075","","","","","","1.054","","","","has coordinates","293847","2024-08-05","19:00:05",""
"7716365","10.0606","0.0004","13.252","0.0006","20.6558","0.0009","90","","90","","90","","2753.9","0.2","110","","110","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","[Pd(OH)(CH2CMe2C6H4)(κ3-N,N?,N??-(MeO(CH2)3N(CH2-2-C5H4N)2))][PF6]","","- C26 H34 F6 N3 O2 P Pd -","- C26 H34 F6 N3 O2 P Pd -","- C104 H136 F24 N12 O8 P4 Pd4 -","4","1","","Behnia, Ava; Fard, Mahmood A.; Blacquiere, Johanna M.; Puddephatt, Richard J.","Hydroxopalladium(IV) complexes prepared using oxygen or hydrogen peroxide as oxidants.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","10901","10911","10.1039/d4dt01202j","","","0.71073","MoKα","","0.0979","0.08","","","0.1959","0.208","","","","","","1.024","","","","has coordinates","293041","2024-07-05","16:11:47",""
"7716366","11.154","0.004","10.056","0.005","23.767","0.011","90","","92.48","0.03","90","","2663","2","110","","110","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 F6 N3 O2 P Pd -","- C25 H32 F6 N3 O2 P Pd -","- C100 H128 F24 N12 O8 P4 Pd4 -","4","1","","Behnia, Ava; Fard, Mahmood A.; Blacquiere, Johanna M.; Puddephatt, Richard J.","Hydroxopalladium(IV) complexes prepared using oxygen or hydrogen peroxide as oxidants.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","10901","10911","10.1039/d4dt01202j","","","0.71073","MoKα","","0.0322","0.0251","","","0.0586","0.0613","","","","","","1.021","","","","has coordinates","293041","2024-07-05","16:11:48",""
"7716367","10.359","0.004","13.204","0.007","20.622","0.009","90","","90","","90","","2821","2","110","","110","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 Cl F6 N3 O P Pd -","- C26 H33 Cl F6 N3 O P Pd -","- C104 H132 Cl4 F24 N12 O4 P4 Pd4 -","4","1","","Behnia, Ava; Fard, Mahmood A.; Blacquiere, Johanna M.; Puddephatt, Richard J.","Hydroxopalladium(IV) complexes prepared using oxygen or hydrogen peroxide as oxidants.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","10901","10911","10.1039/d4dt01202j","","","0.71073","MoKα","","0.0505","0.0422","","","0.0904","0.0938","","","","","","0.999","","","","has coordinates,has disorder","293041","2024-07-05","16:11:48",""
"7716368","17.9737","0.0003","15.931","0.0003","23.2031","0.0005","90","","95.1174","0.0018","90","","6617.5","0.2","100","1","100","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C58.59 H50.59 Cl10.77 F6 Fe O6 P3 Pd -","- C57.89 H49.89 Cl8.67 F6 Fe O6 P3 Pd -","- C231.56 H199.56 Cl34.68 F24 Fe4 O24 P12 Pd4 -","4","1","","Dutra, Jocely L.; Honorato, João; Graminha, Angélica; Moraes, Carlos André F; de Oliveira, Kleber T.; Cominetti, Marcia R.; Castellano, Eduardo E.; Batista, Alzir A.","Pd(II)/diphosphine/curcumin complexes as potential anticancer agents.","Dalton transactions (Cambridge, England : 2003)","2024","53","47","18902","18916","10.1039/d4dt01045k","","","0.71073","MoKα","","0.0662","0.0445","","","0.0962","0.1122","","","","","","1.102","","","","has coordinates,has disorder","296571","2024-12-06","18:55:21",""
"7716369","14.0442","0.0003","9.5822","0.0002","37.0985","0.0007","90","","94.609","0.002","90","","4976.36","0.18","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H49 F6 O6 P3 Pd -","- C57 H49 F6 O6 P3 Pd -","- C228 H196 F24 O24 P12 Pd4 -","4","1","","Dutra, Jocely L.; Honorato, João; Graminha, Angélica; Moraes, Carlos André F; de Oliveira, Kleber T.; Cominetti, Marcia R.; Castellano, Eduardo E.; Batista, Alzir A.","Pd(II)/diphosphine/curcumin complexes as potential anticancer agents.","Dalton transactions (Cambridge, England : 2003)","2024","53","47","18902","18916","10.1039/d4dt01045k","","x-ray","0.71073","MoKα","","0.0394","0.0338","","","0.0767","0.0792","","","","","","1.077","","","","has coordinates","296571","2024-12-06","18:55:22",""
"7716370","9.0366","0.0006","16.4302","0.0012","19.0475","0.0013","112.064","0.007","96.129","0.006","101.48","0.006","2516.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H53.2 F6 O9.1 P3 Pd -","- C49 H47 F6 O6 P3 Pd -","- C98 H94 F12 O12 P6 Pd2 -","2","1","","Dutra, Jocely L.; Honorato, João; Graminha, Angélica; Moraes, Carlos André F; de Oliveira, Kleber T.; Cominetti, Marcia R.; Castellano, Eduardo E.; Batista, Alzir A.","Pd(II)/diphosphine/curcumin complexes as potential anticancer agents.","Dalton transactions (Cambridge, England : 2003)","2024","53","47","18902","18916","10.1039/d4dt01045k","","x-ray","0.71073","MoKα","","0.1083","0.0799","","","0.2239","0.2576","","","","","","0.995","","","","has coordinates","296571","2024-12-06","18:55:22",""
"7716371","14.094","0.0002","22.428","0.0003","16.03","0.0003","90","","112.924","0.002","90","","4666.9","0.14","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H43 F6 O6 P3 Pd -","- C47 H43 F6 O6 P3 Pd -","- C188 H172 F24 O24 P12 Pd4 -","4","1","","Dutra, Jocely L.; Honorato, João; Graminha, Angélica; Moraes, Carlos André F; de Oliveira, Kleber T.; Cominetti, Marcia R.; Castellano, Eduardo E.; Batista, Alzir A.","Pd(II)/diphosphine/curcumin complexes as potential anticancer agents.","Dalton transactions (Cambridge, England : 2003)","2024","53","47","18902","18916","10.1039/d4dt01045k","","x-ray","0.71073","MoKα","","0.0328","0.0277","","","0.0685","0.0722","","","","","","1.058","","","","has coordinates","296571","2024-12-06","18:55:22",""
"7716372","18.2385","0.0011","9.7448","0.0005","7.8405","0.0004","90","","90","","90","","1393.5","0.13","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H13 Ce Cl N O5 -","- C12 H13 Ce Cl N O5 -","- C48 H52 Ce4 Cl4 N4 O20 -","4","1","","Pajuelo-Corral, Oier; Contreras, MCarmen; Rojas, Sara; Choquesillo-Lazarte, Duane; Seco, José M; Rodríguez-Diéguez, Antonio; Salinas-Castillo, Alfonso; Cepeda, Javier; Zabala-Lekuona, Andoni; Vitorica-Yrezabal, Iñigo J","Cerium(III) and 5-methylisophthalate-based MOFs with slow relaxation of magnetization and photoluminescence emission.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11750","11761","10.1039/d4dt00401a","","","0.71073","MoKα","","0.0198","0.0161","","","0.0376","0.0395","","","","","","1.09","","","","has coordinates","293842","2024-08-05","18:57:04",""
"7716373","7.9985","0.0014","12.628","0.002","16.058","0.003","90","","90","","90","","1621.9","0.5","285","","285","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Ce O8 -","- C18 H13 Ce O8 -","- C72 H52 Ce4 O32 -","4","1","","Pajuelo-Corral, Oier; Contreras, MCarmen; Rojas, Sara; Choquesillo-Lazarte, Duane; Seco, José M; Rodríguez-Diéguez, Antonio; Salinas-Castillo, Alfonso; Cepeda, Javier; Zabala-Lekuona, Andoni; Vitorica-Yrezabal, Iñigo J","Cerium(III) and 5-methylisophthalate-based MOFs with slow relaxation of magnetization and photoluminescence emission.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11750","11761","10.1039/d4dt00401a","","","0.71073","MoKα","","0.0163","0.0159","","","0.0392","0.0396","","","","","","1.076","","","","has coordinates","293842","2024-08-05","18:57:05",""
"7716374","14.0197","0.0001","11.8407","0.0001","22.47726","0.00019","90","","90","","90","","3731.29","0.05","150","2","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H64 N4 O4 Zn2 -","- C32 H64 N4 O4 Zn2 -","- C128 H256 N16 O16 Zn8 -","4","0.5","","Robson, Max E.; Johnson, Andrew L.","Zinc and cadmium thioamidate complexes: rational design of single-source precursors for the AACVD of ZnS.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11380","11392","10.1039/d4dt01278j","","x-ray","1.54184","CuKα","","0.0282","0.0266","","","0.0709","0.0719","","","","","","1.064","","","","has coordinates","293843","2024-08-05","18:57:47",""
"7716375","11.9996","0.0009","10.6361","0.0005","14.8354","0.0009","90","","108.432","0.007","90","","1796.3","0.2","150","2","150.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H56 N4 S4 Zn2 -","- C28 H56 N4 S4 Zn2 -","- C56 H112 N8 S8 Zn4 -","2","0.5","","Robson, Max E.; Johnson, Andrew L.","Zinc and cadmium thioamidate complexes: rational design of single-source precursors for the AACVD of ZnS.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11380","11392","10.1039/d4dt01278j","","x-ray","0.71073","MoKα","","0.059","0.0349","","","0.065","0.0673","","","","","","0.879","","","","has coordinates","293843","2024-08-05","18:57:48",""
"7716376","9.9334","0.0004","17.3065","0.0005","12.9808","0.0005","90","","111.491","0.004","90","","2076.41","0.14","150","2","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 N4 S4 Zn2 -","- C40 H48 N4 S4 Zn2 -","- C80 H96 N8 S8 Zn4 -","2","0.5","","Robson, Max E.; Johnson, Andrew L.","Zinc and cadmium thioamidate complexes: rational design of single-source precursors for the AACVD of ZnS.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11380","11392","10.1039/d4dt01278j","","x-ray","0.71073","MoKα","","0.0434","0.0311","","","0.0609","0.0653","","","","","","1.024","","","","has coordinates","293843","2024-08-05","18:57:48",""
"7716377","7.9497","0.0003","11.5685","0.0005","22.2132","0.0009","90","","90","","90","","2042.86","0.14","150","2","150","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H32 N2 S2 Zn -","- C16 H32 N2 S2 Zn -","- C64 H128 N8 S8 Zn4 -","4","0.5","","Robson, Max E.; Johnson, Andrew L.","Zinc and cadmium thioamidate complexes: rational design of single-source precursors for the AACVD of ZnS.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11380","11392","10.1039/d4dt01278j","","x-ray","0.71073","MoKα","","0.039","0.0317","","","0.0635","0.0662","","","","","","1.092","","","","has coordinates","293843","2024-08-05","18:57:48",""
"7716378","11.6481","0.0002","15.5456","0.0004","19.0812","0.0004","91.1994","0.0019","99.1325","0.0016","101.58","0.002","3336.94","0.13","150","2","149.9","0.6","","","","","","","","6","P -1","-P 1","2","","","","- C52 H104 Cd3 N6 O S6 -","- C52 H104 Cd3 N6 O S6 -","- C104 H208 Cd6 N12 O2 S12 -","2","1","","Robson, Max E.; Johnson, Andrew L.","Zinc and cadmium thioamidate complexes: rational design of single-source precursors for the AACVD of ZnS.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11380","11392","10.1039/d4dt01278j","","x-ray","0.71073","MoKα","","0.0582","0.0362","","","0.0729","0.0827","","","","","","1.047","","","","has coordinates","293843","2024-08-05","18:57:48",""
"7716379","14.5205","0.0003","14.5205","0.0003","21.8318","0.0007","90","","90","","90","","4603.1","0.2","150","2","150","0.1","","","","","","","","5","P 41","P 4w","76","","","","- C40 H72 N4 S4 Zn2 -","- C40 H72 N4 S4 Zn2 -","- C160 H288 N16 S16 Zn8 -","4","1","","Robson, Max E.; Johnson, Andrew L.","Zinc and cadmium thioamidate complexes: rational design of single-source precursors for the AACVD of ZnS.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11380","11392","10.1039/d4dt01278j","","x-ray","0.71073","MoKα","","0.0667","0.0492","","","0.1065","0.1192","","","","","","1.074","","","","has coordinates","293843","2024-08-05","18:57:48",""
"7716380","11.4083","0.0003","11.9826","0.0002","17.9543","0.0003","92.141","0.002","96.367","0.002","104.23","0.002","2359.06","0.09","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Co N3 O2 -","- C26 H28 Co N3 O2 -","- C104 H112 Co4 N12 O8 -","4","2","","Luhach, Sanju; Lalancette, Roger A.; Prokopchuk, Demyan E.","""Catch and release"" of the Cp<sup>N3</sup> ligand using cobalt: dissociation, protonation, and C-H bond thermochemistry.","Dalton transactions (Cambridge, England : 2003)","2024","53","47","18865","18872","10.1039/d4dt01560f","","x-ray","1.54184","CuKα","","0.0352","0.0321","","","0.0787","0.08","","","","","","1.043","","","","has coordinates","296576","2024-12-06","18:58:21",""
"7716381","11.91381","0.00016","17.0734","0.0002","17.7791","0.0002","90","","104.573","0.0014","90","","3500.08","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H37 Co F12 N6 P2 -","- C30 H37 Co F12 N6 P2 -","- C120 H148 Co4 F48 N24 P8 -","4","1","","Luhach, Sanju; Lalancette, Roger A.; Prokopchuk, Demyan E.","""Catch and release"" of the Cp<sup>N3</sup> ligand using cobalt: dissociation, protonation, and C-H bond thermochemistry.","Dalton transactions (Cambridge, England : 2003)","2024","53","47","18865","18872","10.1039/d4dt01560f","","x-ray","1.54184","CuKα","","0.031","0.0278","","","0.0701","0.0717","","","","","","1.052","","","","has coordinates","296576","2024-12-06","18:58:21",""
"7716382","14.455","0.0001","11.0307","0.0001","17.1937","0.0002","90","","93.714","0.001","90","","2735.76","0.04","100.2","0.8","100.2","0.8","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 F6 N3 P -","- C25 H32 Cl2 F6 N3 P -","- C100 H128 Cl8 F24 N12 P4 -","4","1","","Luhach, Sanju; Lalancette, Roger A.; Prokopchuk, Demyan E.","""Catch and release"" of the Cp<sup>N3</sup> ligand using cobalt: dissociation, protonation, and C-H bond thermochemistry.","Dalton transactions (Cambridge, England : 2003)","2024","53","47","18865","18872","10.1039/d4dt01560f","","x-ray","1.54184","CuKα","","0.0486","0.0393","","","0.0966","0.1033","","","","","","1.057","","","","has coordinates","296576","2024-12-06","18:58:21",""
"7716383","10.38703","0.00012","14.8503","0.0002","19.123","0.0002","79.816","0.0011","84.9985","0.0009","73.8252","0.0012","2786.09","0.06","99.9","0.4","99.9","0.4","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 B2 F8 N4 -","- C26 H32 B2 F8 N4 -","- C104 H128 B8 F32 N16 -","4","2","","Luhach, Sanju; Lalancette, Roger A.; Prokopchuk, Demyan E.","""Catch and release"" of the Cp<sup>N3</sup> ligand using cobalt: dissociation, protonation, and C-H bond thermochemistry.","Dalton transactions (Cambridge, England : 2003)","2024","53","47","18865","18872","10.1039/d4dt01560f","","x-ray","1.54178","CuKα","","0.0473","0.0426","","","0.1149","0.1188","","","","","","1.059","","","","has coordinates","296576","2024-12-06","18:58:21",""
"7716384","9.0766","0.0002","32.5576","0.0006","16.0099","0.0004","90","","103.734","0.002","90","","4595.85","0.18","100","0.7","100","0.7","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H28 B F20 N3 O -","- C48 H28 B F20 N3 -","- C192 H112 B4 F80 N12 -","4","1","","Luhach, Sanju; Lalancette, Roger A.; Prokopchuk, Demyan E.","""Catch and release"" of the Cp<sup>N3</sup> ligand using cobalt: dissociation, protonation, and C-H bond thermochemistry.","Dalton transactions (Cambridge, England : 2003)","2024","53","47","18865","18872","10.1039/d4dt01560f","","x-ray","1.54184","CuKα","","0.0721","0.0479","","","0.1138","0.1262","","","","","","1.048","","","","has coordinates","296576","2024-12-06","18:58:21",""
"7716385","7.7921","0.0008","8.5071","0.0005","11.2218","0.0008","90","","90","","90","","743.87","0.1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 Cd N3 O2 -","- C6 H7 Cd N3 O2 -","- C24 H28 Cd4 N12 O8 -","4","1","","Ogungbade, Taofeek; Uland, Charles; Li, Longji; Wang, Luhan; Pansuria, Kareena; Relva, Carolina; Barn, Gregory; Kaur, Simrat Jeet; Norris, Paulin; Yan, Bangbo","Carbonic anhydrase-mimicking metal-organic frameworks built from amino acid and cadmium ions.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11228","11231","10.1039/d4dt01456a","","","0.71073","MoKα","","0.0093","0.0093","","","0.0271","0.0272","","","","","","1.533","","","","has coordinates","293849","2024-08-05","19:00:30",""
"7716386","8.1352","0.0001","10.7178","0.0002","8.4152","0.0001","90","","90.494","0.001","90","","733.706","0.019","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 Cd2 N6 O4 -","- C12 H14 Cd2 N6 O4 -","- C24 H28 Cd4 N12 O8 -","2","1","","Ogungbade, Taofeek; Uland, Charles; Li, Longji; Wang, Luhan; Pansuria, Kareena; Relva, Carolina; Barn, Gregory; Kaur, Simrat Jeet; Norris, Paulin; Yan, Bangbo","Carbonic anhydrase-mimicking metal-organic frameworks built from amino acid and cadmium ions.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11228","11231","10.1039/d4dt01456a","","","0.71073","MoKα","","0.0323","0.0256","","","0.0422","0.0443","","","","","","1.026","","","","has coordinates","293849","2024-08-05","19:00:31",""
"7716387","28.1902","0.0002","28.1902","0.0002","28.1902","0.0002","90","","90","","90","","22402.4","0.3","149.99","0.1","149.99","0.1","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C36 H66 Cl24 In11 N71 -","- C36 H66.0012 Cl24 In11 N71 -","- C288 H528.01 Cl192 In88 N568 -","8","0.166667","","Bayat, Elaheh; Ströbele, Markus; Enseling, David; Jüstel, Thomas; Meyer, H-Jürgen","Thermal deprotonation and condensation of melamine in the presence of indium(III)chloride.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","10912","10918","10.1039/d4dt01029a","","x-ray","1.54184","CuKα","","0.0295","0.0283","","","0.0788","0.0794","","","","","","1.053","","","","has coordinates,has disorder","293043","2024-07-05","16:12:42",""
"7716388","21.7704","0.0009","21.7704","0.0009","37.9027","0.0007","90","","90","","90","","17964","1.1","130","2","130","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C34 H44 Cl4 Co2 N6 O12 -","- C34 H44 Cl4 Co2 N6 O12 -","- C544 H704 Cl64 Co32 N96 O192 -","16","0.5","","Ghasemzadeh, Roghayyeh; Akhbari, Kamran; Kawata, Satoshi","Ag@MUT-16 nanocomposite as a Fenton-like and plasmonic photocatalyst for degradation of Quinoline Yellow under visible light.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","11094","11111","10.1039/d4dt00322e","","","0.71075","MoKα","","0.0844","0.0785","","","0.1832","0.1868","","","","","","1.217","","","","has coordinates,has disorder","293033","2024-07-05","16:09:07",""
"7716389","23.101","0.002","21.839","0.002","17.1508","0.0018","90","","103.143","0.004","90","","8426","1.4","301","2","301","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H30 Cl Ir N6 -","- C46 H30 Cl Ir N6 -","- C368 H240 Cl8 Ir8 N48 -","8","1","","Sanz-Villafruela, Juan; Bermejo-Casadesús, Cristina; Martínez-Alonso, Marta; Moro, Artur; Lima, João C; Massaguer, Anna; Espino, Gustavo","Towards efficient Ir(III) anticancer photodynamic therapy agents by extending π-conjugation on N^N ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11393","11409","10.1039/d4dt00390j","","","0.71073","MoKα","","0.0768","0.0481","","","0.1156","0.1398","","","","","","1.078","","","","has coordinates","293852","2024-08-05","19:01:44",""
"7716390","15.6677","0.0004","17.2396","0.0005","27.183","0.0005","90","","90","","90","","7342.3","0.3","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(1,3-bis(2,6-di-iso-propylphenyl)imidazol-2-ylidene) (2-2'-bipyridine) silver hexafluorophosphate","","- C37 H44 Ag F6 N4 P -","- C37 H44 Ag F6 N4 P -","- C296 H352 Ag8 F48 N32 P8 -","8","1","","Giobbio, Ginevra; Coto, Pedro B.; Lohier, Jean-François; Renaud, Jean-Luc; Gaillard, Sylvain; Costa, Rubén D","[Ag(IPr)(bpy)][PF<sub>6</sub>]: brightness and darkness playing with aggregation induced phosphorescence for light-emitting electrochemical cells.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12307","12315","10.1039/d4dt01056f","","","0.71073","MoKα","","0.0597","0.0346","","","0.068","0.0757","","","","","","1.017","","","","has coordinates,has disorder","293820","2024-08-05","18:46:25",""
"7716391","10.7969","0.0008","11.1079","0.0008","11.4544","0.0008","82.796","0.003","62.783","0.002","62.288","0.003","1074.84","0.14","150","2","150","2","","","","","","","","4","P -1","-P 1","2","dicobalt(II) pyromellitate dodecahydrate","","","- C5 H13 Co O10 -","- C5 H13 Co O10 -","- C20 H52 Co4 O40 -","4","2","","Hulushe, Siya T.; Watkins, Gareth M.; Khanye, Setshaba D.","A cobalt(II) coordination polymer-derived catalyst engineered <i>via</i> temperature-induced semi-reversible single-crystal-to-single-crystal (SCSC) dehydration for efficient liquid-phase epoxidation of olefins.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11326","11343","10.1039/d4dt00739e","","x-ray","0.71073","MoKα","","0.0741","0.0449","","","0.1042","0.1207","","","","","","1.078","","","","has coordinates","293853","2024-08-05","19:01:53",""
"7716392","6.1151","0.0007","17.44","0.0018","4.5477","0.0004","90","","115.606","0.004","90","","437.37","0.08","150","2","150","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","dicobalt(II) pyromellitate","","","- C5 H Co O4 -","- C5 H Co O4 -","- C20 H4 Co4 O16 -","4","0.5","","Hulushe, Siya T.; Watkins, Gareth M.; Khanye, Setshaba D.","A cobalt(II) coordination polymer-derived catalyst engineered <i>via</i> temperature-induced semi-reversible single-crystal-to-single-crystal (SCSC) dehydration for efficient liquid-phase epoxidation of olefins.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11326","11343","10.1039/d4dt00739e","","x-ray","0.71073","MoKα","","0.0401","0.034","","","0.0747","0.0815","","","","","","1.196","","","","has coordinates","293853","2024-08-05","19:01:54",""
"7716393","3.3576","0.0006","9.0091","0.0016","9.5434","0.0015","113.881","0.005","99.313","0.006","93.915","0.006","257.61","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","dicobalt(II) pyromellitate dihydrate","","","- C5 H3 Co O5 -","- C5 H3 Co O5 -","- C10 H6 Co2 O10 -","2","1","","Hulushe, Siya T.; Watkins, Gareth M.; Khanye, Setshaba D.","A cobalt(II) coordination polymer-derived catalyst engineered <i>via</i> temperature-induced semi-reversible single-crystal-to-single-crystal (SCSC) dehydration for efficient liquid-phase epoxidation of olefins.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11326","11343","10.1039/d4dt00739e","","x-ray","0.71073","MoKα","","0.0896","0.0624","","","0.1275","0.1434","","","","","","1.071","","","","has coordinates","293853","2024-08-05","19:01:54",""
"7716394","11.0531","0.0002","16.2521","0.0003","18.3816","0.0003","90","","95.844","0.002","90","","3284.84","0.1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H33 F12 N O2 Si -","- C34 H33 F12 N O2 Si -","- C136 H132 F48 N4 O8 Si4 -","4","1","","Iwabuchi, Shuta; Morofuji, Tatsuya; Kano, Naokazu","Synthesis, structure, and alkynylation reactivity of alkynyl-silicate, -germanate, and -stannate.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","10829","10833","10.1039/d4dt01688b","","x-ray","0.71073","MoKα","","0.0596","0.0558","","","0.0983","0.0998","","","","","","1.283","","","","has coordinates","293042","2024-07-05","16:12:14",""
"7716395","11.2117","0.0004","16.2237","0.0007","18.2776","0.0008","90","","96.334","0.004","90","","3304.3","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H33 F12 N O2 Sn -","- C34 H33 F12 N O2 Sn -","- C136 H132 F48 N4 O8 Sn4 -","4","1","","Iwabuchi, Shuta; Morofuji, Tatsuya; Kano, Naokazu","Synthesis, structure, and alkynylation reactivity of alkynyl-silicate, -germanate, and -stannate.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","10829","10833","10.1039/d4dt01688b","","x-ray","0.71073","MoKα","","0.0552","0.0317","","","0.0592","0.0645","","","","","","1.015","","","","has coordinates","293042","2024-07-05","16:12:15",""
"7716396","11.1071","0.0005","16.2492","0.0009","18.3357","0.0008","90","","95.828","0.004","90","","3292.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H33 F12 Ge N O2 -","- C34 H33 F12 Ge N O2 -","- C136 H132 F48 Ge4 N4 O8 -","4","1","","Iwabuchi, Shuta; Morofuji, Tatsuya; Kano, Naokazu","Synthesis, structure, and alkynylation reactivity of alkynyl-silicate, -germanate, and -stannate.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","10829","10833","10.1039/d4dt01688b","","","0.71073","MoKα","","0.0673","0.0436","","","0.0759","0.0819","","","","","","1.02","","","","has coordinates","293042","2024-07-05","16:12:15",""
"7716397","16.6535","0.0014","19.849","0.0016","17.057","0.0015","90","","105.772","0.003","90","","5426","0.8","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C12 H108 B6 Cd2 N6 O104 P12 V12 -","- C12 H54 B6 Cd2 N6 O104 P12 V12 -","- C24 H108 B12 Cd4 N12 O208 P24 V24 -","2","0.5","","Wang, Yiyao; Liu, Xing; Zhou, Jian; Zou, Hua-Hong","New types of open-framework vanadium borophosphates with photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11778","11786","10.1039/d4dt01330a","","","0.71073","MoKα","","0.0864","0.0741","","","0.2024","0.212","","","","","","1.075","","","","has coordinates,has disorder","293838","2024-08-05","18:54:57",""
"7716398","16.1859","0.0011","19.7736","0.0014","17.097","0.0012","90","","107.862","0.003","90","","5208.2","0.6","110","2","110","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C16 H102 B6 Mn2 N8 O96 P12 V12 -","- C16 H62 B6 Mn2 N8 O96 P12 V12 -","- C32 H124 B12 Mn4 N16 O192 P24 V24 -","2","0.5","","Wang, Yiyao; Liu, Xing; Zhou, Jian; Zou, Hua-Hong","New types of open-framework vanadium borophosphates with photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11778","11786","10.1039/d4dt01330a","","","0.71073","MoKα","","0.0874","0.0657","","","0.1804","0.203","","","","","","1.027","","","","has coordinates,has disorder","293838","2024-08-05","18:54:57",""
"7716399","16.079","0.002","19.818","0.003","17.002","0.003","90","","108.081","0.006","90","","5150.2","1.4","110","2","110","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C16 H102 B6 Co2 N8 O96 P12 V12 -","- C16 H62.2 B6 Co2 N8 O96 P12 V12 -","- C32 H124.4 B12 Co4 N16 O192 P24 V24 -","2","0.5","","Wang, Yiyao; Liu, Xing; Zhou, Jian; Zou, Hua-Hong","New types of open-framework vanadium borophosphates with photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11778","11786","10.1039/d4dt01330a","","","0.71073","MoKα","","0.0873","0.0677","","","0.1868","0.2009","","","","","","1.02","","","","has coordinates,has disorder","293838","2024-08-05","18:54:57",""
"7716400","8.6695","0.0001","15.3305","0.0001","29.1301","0.0002","90","","91.951","0.001","90","","3869.37","0.06","160","0.1","160","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H33 F6 N4 P3 Ru S -","- C40 H33 F6 N4 P3 Ru S -","- C160 H132 F24 N16 P12 Ru4 S4 -","4","1","","Palmeira-Mello, Marcos V; Costa, Analu R.; de Oliveira, Leticia P.; Blacque, Olivier; Gasser, Gilles; Batista, Alzir A.","Exploring the potential of ruthenium(II)-phosphine-mercapto complexes as new anticancer agents.","Dalton transactions (Cambridge, England : 2003)","2024","53","26","10947","10960","10.1039/d4dt01191k","","x-ray","1.54184","CuKα","","0.0252","0.0236","","","0.0614","0.0622","","","","","","1.057","","","","has coordinates","293031","2024-07-05","16:08:40",""
"7716401","17.0436","0.0006","22.9283","0.0009","25.8861","0.001","83.289","0.003","84.512","0.003","73.5","0.003","9612","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C168 H108 Cl2 Co4 N24 O8 -","- C168 H108 Cl2 Co4 N24 O8 -","- C336 H216 Cl4 Co8 N48 O16 -","2","1","","Siddique, Rashid G.; McMurtrie, John C.; Clegg, Jack K.","Self-assembled Co(II) and Co(III) [M<sub>2</sub>L<sub>3</sub>] helicates and [M<sub>4</sub>L<sub>6</sub>] tetrahedra from an unsymmetrical quaterpyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11237","11241","10.1039/d4dt01565g","","x-ray","0.71073","MoKα","","0.1618","0.1368","","","0.3637","0.3897","","","","","","0.96","","","","has coordinates,has disorder","293850","2024-08-05","19:00:57",""
"7716402","21.0998","0.0004","21.1425","0.0004","34.7365","0.0005","97.032","0.001","98.735","0.001","119.772","0.002","12936.4","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C198 H153 Co4 F72 N39 P12 -","- C168 H108 Co4 F42 N24 P7 -","- C336 H216 Co8 F84 N48 P14 -","2","1","","Siddique, Rashid G.; McMurtrie, John C.; Clegg, Jack K.","Self-assembled Co(II) and Co(III) [M<sub>2</sub>L<sub>3</sub>] helicates and [M<sub>4</sub>L<sub>6</sub>] tetrahedra from an unsymmetrical quaterpyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11237","11241","10.1039/d4dt01565g","","x-ray","0.71073","MoKα","","0.1441","0.1201","","","0.2963","0.3123","","","","","","0.978","","","","has coordinates","293850","2024-08-05","19:00:57",""
"7716403","12.9642","0.0006","13.9446","0.0008","18.4472","0.0012","90","","96.725","0.005","90","","3312","0.3","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H40 Cl Gd N12 O14 P2 -","- C13 H34 Cl Gd N12 O12 P2 -","- C52 H136 Cl4 Gd4 N48 O48 P8 -","4","1","","Ahmed, Naushad; Sahu, Prem Prakash; Chakraborty, Amit; Flores Gonzalez, Jessica; Ali, Junaid; Kalita, Pankaj; Pointillart, Fabrice; Singh, Saurabh Kumar; Chandrasekhar, Vadapalli","<i>In situ</i> hydrolysis of a carbophosphazene ligand leads to one-dimensional lanthanide coordination polymers. Synthesis, structure and dynamic magnetic studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11563","11577","10.1039/d4dt00582a","","","0.71073","MoKα","","0.0567","0.0485","","","0.1173","0.1216","","","","","","1.099","","","","has coordinates","293848","2024-08-05","19:00:20",""
"7716404","12.9417","0.0003","13.8877","0.0004","18.2069","0.0005","90","","97.507","0.002","90","","3244.29","0.15","293","","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H42 Cl N12 O14 P2 Tb -","- C15 H42 Cl N12 O14 P2 Tb -","- C60 H168 Cl4 N48 O56 P8 Tb4 -","4","1","","Ahmed, Naushad; Sahu, Prem Prakash; Chakraborty, Amit; Flores Gonzalez, Jessica; Ali, Junaid; Kalita, Pankaj; Pointillart, Fabrice; Singh, Saurabh Kumar; Chandrasekhar, Vadapalli","<i>In situ</i> hydrolysis of a carbophosphazene ligand leads to one-dimensional lanthanide coordination polymers. Synthesis, structure and dynamic magnetic studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11563","11577","10.1039/d4dt00582a","","","0.71073","MoKα","","0.045","0.0351","","","0.0801","0.0867","","","","","","1.052","","","","has coordinates","293848","2024-08-05","19:00:20",""
"7716405","12.9252","0.0003","13.7997","0.0003","18.266","0.0005","90","","97.052","0.002","90","","3233.35","0.14","293","","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H42 Cl Er N12 O14 P2 -","- C15 H42 Cl Er N12 O14 P2 -","- C60 H168 Cl4 Er4 N48 O56 P8 -","4","1","","Ahmed, Naushad; Sahu, Prem Prakash; Chakraborty, Amit; Flores Gonzalez, Jessica; Ali, Junaid; Kalita, Pankaj; Pointillart, Fabrice; Singh, Saurabh Kumar; Chandrasekhar, Vadapalli","<i>In situ</i> hydrolysis of a carbophosphazene ligand leads to one-dimensional lanthanide coordination polymers. Synthesis, structure and dynamic magnetic studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11563","11577","10.1039/d4dt00582a","","","0.71073","MoKα","","0.048","0.0404","","","0.1055","0.1103","","","","","","1.062","","","","has coordinates","293848","2024-08-05","19:00:20",""
"7716406","12.9512","0.0003","13.8255","0.0004","18.1765","0.0006","90","","97.668","0.003","90","","3225.52","0.16","99.99","0.1","99.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H42 Cl Dy N12 O14 P2 -","- C14 H38 Cl Dy N12 O13 P2 -","- C56 H152 Cl4 Dy4 N48 O52 P8 -","4","1","","Ahmed, Naushad; Sahu, Prem Prakash; Chakraborty, Amit; Flores Gonzalez, Jessica; Ali, Junaid; Kalita, Pankaj; Pointillart, Fabrice; Singh, Saurabh Kumar; Chandrasekhar, Vadapalli","<i>In situ</i> hydrolysis of a carbophosphazene ligand leads to one-dimensional lanthanide coordination polymers. Synthesis, structure and dynamic magnetic studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11563","11577","10.1039/d4dt00582a","","x-ray","0.71073","MoKα","","0.0704","0.0591","","","0.1624","0.1671","","","","","","1.159","","","","has coordinates","293848","2024-08-05","19:00:20",""
"7716407","15.4562","0.0009","42.508","0.003","15.6202","0.0012","90","","105.542","0.004","90","","9887.4","1.2","200","","200","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C87.5 H97.5 Ag Cl7.5 F9 N10 O9 Pt2 S3 -","- C87.5 H97.5 Ag Cl7.5 F9 N10 O9 Pt2 S3 -","- C350 H390 Ag4 Cl30 F36 N40 O36 Pt8 S12 -","4","1","","Benda, Lorien; Miton, Louise; Hadj Seyd, Nihal; Chamoreau, Lise-Marie; Jonusauskas, Gediminas; McClenaghan, Nathan D.; Hasenknopf, Bernold; Marvaud, Valérie; Vives, Guillaume","Cyclometalated luminescent platinum(II) complexes of dissymmetrical 2,2':4',2''-terpyridine and its self-assembled dimer presenting Pt-Ag dative bonds.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12477","12485","10.1039/d4dt01153h","","","1.54178","CuKα","","0.19","0.127","","","0.2911","0.3264","","","","","","1.052","","","","has coordinates,has disorder","293860","2024-08-05","19:05:58",""
"7716408","12.6144","0.0009","6.7077","0.0004","12.696","0.0008","90","","106.728","0.004","90","","1028.79","0.12","200","1","200","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C21 H21 Cl N4 Pt -","- C21 H21 Cl N4 Pt -","- C42 H42 Cl2 N8 Pt2 -","2","0.5","","Benda, Lorien; Miton, Louise; Hadj Seyd, Nihal; Chamoreau, Lise-Marie; Jonusauskas, Gediminas; McClenaghan, Nathan D.; Hasenknopf, Bernold; Marvaud, Valérie; Vives, Guillaume","Cyclometalated luminescent platinum(II) complexes of dissymmetrical 2,2':4',2''-terpyridine and its self-assembled dimer presenting Pt-Ag dative bonds.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12477","12485","10.1039/d4dt01153h","","","0.71073","MoKα","","0.0706","0.0558","","","0.1227","0.1294","","","","","","1.111","","","","has coordinates","293860","2024-08-05","19:05:58",""
"7716409","5.8062","0.0005","14.1926","0.0012","15.6151","0.0012","90","","90","","90","","1286.76","0.18","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N5 S -","- C12 H13 N5 S -","- C48 H52 N20 S4 -","4","1","","Bera, Biswajit; Jana, Pulak; Mandal, Subrata; Kundu, Sudip; Das, Akash; Chattopadhyay, Krishnananda; Mondal, Tapan Kumar","Fabrication of thiosemicarbazone-based Pd(II) complexes: structural elucidations, catalytic activity towards Suzuki-Miyaura coupling reaction and antitumor activity against TNBC cells.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11914","11927","10.1039/d4dt00950a","","","0.71073","MoKα","","0.0887","0.061","","","0.0983","0.1084","","","","","","1.046","","","","has coordinates","293831","2024-08-05","18:51:12",""
"7716410","7.7838","0.0007","15.0161","0.0013","14.8265","0.0014","90","","99.514","0.003","90","","1709.1","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 Cl N4 O Pd S -","- C17 H13 Cl N4 O Pd S -","- C68 H52 Cl4 N16 O4 Pd4 S4 -","4","1","","Bera, Biswajit; Jana, Pulak; Mandal, Subrata; Kundu, Sudip; Das, Akash; Chattopadhyay, Krishnananda; Mondal, Tapan Kumar","Fabrication of thiosemicarbazone-based Pd(II) complexes: structural elucidations, catalytic activity towards Suzuki-Miyaura coupling reaction and antitumor activity against TNBC cells.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11914","11927","10.1039/d4dt00950a","","","0.71073","MoKα","","0.1017","0.0657","","","0.0857","0.096","","","","","","1.086","","","","has coordinates","293831","2024-08-05","18:51:13",""
"7716411","8.3304","0.0004","18.3189","0.0008","20.2464","0.001","90","","94.35","0.002","90","","3080.8","0.3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 Cl N5 O P Pd S -","- C31 H31 Cl N5 O P Pd S -","- C124 H124 Cl4 N20 O4 P4 Pd4 S4 -","4","1","","Bera, Biswajit; Jana, Pulak; Mandal, Subrata; Kundu, Sudip; Das, Akash; Chattopadhyay, Krishnananda; Mondal, Tapan Kumar","Fabrication of thiosemicarbazone-based Pd(II) complexes: structural elucidations, catalytic activity towards Suzuki-Miyaura coupling reaction and antitumor activity against TNBC cells.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11914","11927","10.1039/d4dt00950a","","","0.71073","MoKα","","0.0335","0.0279","","","0.0633","0.0666","","","","","","1.065","","","","has coordinates","293831","2024-08-05","18:51:13",""
"7716412","10.1721","0.0005","12.4372","0.0007","13.899","0.0007","75.234","0.002","72.327","0.002","76.306","0.001","1595.66","0.15","293","2","293.15","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H28 N3 O3 P Pd S -","- C36 H28 N3 O3 P Pd S -","- C72 H56 N6 O6 P2 Pd2 S2 -","2","1","","Bera, Biswajit; Jana, Pulak; Mandal, Subrata; Kundu, Sudip; Das, Akash; Chattopadhyay, Krishnananda; Mondal, Tapan Kumar","Fabrication of thiosemicarbazone-based Pd(II) complexes: structural elucidations, catalytic activity towards Suzuki-Miyaura coupling reaction and antitumor activity against TNBC cells.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11914","11927","10.1039/d4dt00950a","","","0.71073","MoKα","","0.0292","0.0253","","","0.0592","0.0611","","","","","","0.941","","","","has coordinates","293831","2024-08-05","18:51:13",""
"7716413","9.7414","0.0001","11.2691","0.0002","13.8933","0.0002","90","","90","","90","","1525.16","0.04","100","2","100.01","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 N4 -","- C16 H24 N4 -","- C64 H96 N16 -","4","1","","Franzen, Jonas H.; Wilm, Lukas F. B.; Rotering, Philipp; Wurst, Klaus; Seidl, Michael; Dielmann, Fabian","Electron-rich pyridines with <i>para</i>-N-heterocyclic imine substituents: ligand properties and coordination to CO<sub>2</sub>, SO<sub>2</sub>, BCl<sub>3</sub> and Pd<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11876","11883","10.1039/d4dt01399a","","","0.71073","MoKα","","0.0413","0.04","","","0.112","0.1132","","","","","","1.081","","","","has coordinates","293841","2024-08-05","18:56:52",""
"7716414","6.2718","0.0002","13.4687","0.0006","18.5555","0.0008","90","","91.484","0.001","90","","1566.91","0.11","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 N4 -","- C16 H26 N4 -","- C64 H104 N16 -","4","1","","Franzen, Jonas H.; Wilm, Lukas F. B.; Rotering, Philipp; Wurst, Klaus; Seidl, Michael; Dielmann, Fabian","Electron-rich pyridines with <i>para</i>-N-heterocyclic imine substituents: ligand properties and coordination to CO<sub>2</sub>, SO<sub>2</sub>, BCl<sub>3</sub> and Pd<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11876","11883","10.1039/d4dt01399a","","","0.71073","MoKα","","0.065","0.0503","","","0.111","0.1186","","","","","","1.037","","","","has coordinates","293841","2024-08-05","18:56:52",""
"7716415","15.6898","0.0005","8.5225","0.0003","24.0701","0.0007","90","","90","","90","","3218.57","0.18","100","2","100.02","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H43 B2 F8 N6 -","- C27 H43 B2 F8 N6 -","- C108 H172 B8 F32 N24 -","4","1","","Franzen, Jonas H.; Wilm, Lukas F. B.; Rotering, Philipp; Wurst, Klaus; Seidl, Michael; Dielmann, Fabian","Electron-rich pyridines with <i>para</i>-N-heterocyclic imine substituents: ligand properties and coordination to CO<sub>2</sub>, SO<sub>2</sub>, BCl<sub>3</sub> and Pd<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11876","11883","10.1039/d4dt01399a","","","0.71073","MoKα","","0.0685","0.0631","","","0.1775","0.1827","","","","","","1.05","","","","has coordinates,has disorder","293841","2024-08-05","18:56:52",""
"7716416","6.6684","0.0002","13.6481","0.0004","18.8863","0.0005","90","","99.5077","0.0018","90","","1695.25","0.08","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 Cl2 N8 Pd -","- C32 H48 Cl2 N8 Pd -","- C64 H96 Cl4 N16 Pd2 -","2","0.5","","Franzen, Jonas H.; Wilm, Lukas F. B.; Rotering, Philipp; Wurst, Klaus; Seidl, Michael; Dielmann, Fabian","Electron-rich pyridines with <i>para</i>-N-heterocyclic imine substituents: ligand properties and coordination to CO<sub>2</sub>, SO<sub>2</sub>, BCl<sub>3</sub> and Pd<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11876","11883","10.1039/d4dt01399a","","","0.71073","MoKα","","0.0449","0.0321","","","0.0687","0.0744","","","","","","1.03","","","","has coordinates,has disorder","293841","2024-08-05","18:56:52",""
"7716417","20.7329","0.0003","10.4181","0.0001","17.8347","0.0002","90","","95.7146","0.0006","90","","3833.1","0.08","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H28 N4 O2.5 S -","- C18 H28 N4 O2.5 S -","- C144 H224 N32 O20 S8 -","8","1","","Franzen, Jonas H.; Wilm, Lukas F. B.; Rotering, Philipp; Wurst, Klaus; Seidl, Michael; Dielmann, Fabian","Electron-rich pyridines with <i>para</i>-N-heterocyclic imine substituents: ligand properties and coordination to CO<sub>2</sub>, SO<sub>2</sub>, BCl<sub>3</sub> and Pd<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11876","11883","10.1039/d4dt01399a","","","0.71073","MoKα","","0.0606","0.0553","","","0.1371","0.1412","","","","","","1.021","","","","has coordinates,has disorder","293841","2024-08-05","18:56:52",""
"7716418","7.5256","0.0001","13.7012","0.0002","12.0051","0.0002","90","","107.213","0.0008","90","","1182.4","0.03","100","","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C16 H24 B2 Cl6 N4 -","- C16 H24 B2 Cl6 N4 -","- C32 H48 B4 Cl12 N8 -","2","0.5","","Franzen, Jonas H.; Wilm, Lukas F. B.; Rotering, Philipp; Wurst, Klaus; Seidl, Michael; Dielmann, Fabian","Electron-rich pyridines with <i>para</i>-N-heterocyclic imine substituents: ligand properties and coordination to CO<sub>2</sub>, SO<sub>2</sub>, BCl<sub>3</sub> and Pd<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11876","11883","10.1039/d4dt01399a","","","0.71073","MoKα","","0.0411","0.0349","","","0.0913","0.0951","","","","","","1.104","","","","has coordinates","293841","2024-08-05","18:56:52",""
"7716419","8.5821","0.0003","12.4611","0.0004","18.616","0.0006","90","","96.461","0.001","90","","1978.2","0.11","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H29 I N4 -","- C17 H29 I N4 -","- C68 H116 I4 N16 -","4","1","","Franzen, Jonas H.; Wilm, Lukas F. B.; Rotering, Philipp; Wurst, Klaus; Seidl, Michael; Dielmann, Fabian","Electron-rich pyridines with <i>para</i>-N-heterocyclic imine substituents: ligand properties and coordination to CO<sub>2</sub>, SO<sub>2</sub>, BCl<sub>3</sub> and Pd<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11876","11883","10.1039/d4dt01399a","","","0.71073","MoKα","","0.0252","0.0241","","","0.0662","0.0672","","","","","","1.059","","","","has coordinates,has disorder","293841","2024-08-05","18:56:52",""
"7716420","10.4329","0.0002","12.7505","0.0003","30.4283","0.0006","90","","95.4543","0.001","90","","4029.39","0.15","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H44 Br2 Cl6 N6 Pd -","- C31 H44 Br2 Cl6 N6 Pd -","- C124 H176 Br8 Cl24 N24 Pd4 -","4","1","","Franzen, Jonas H.; Wilm, Lukas F. B.; Rotering, Philipp; Wurst, Klaus; Seidl, Michael; Dielmann, Fabian","Electron-rich pyridines with <i>para</i>-N-heterocyclic imine substituents: ligand properties and coordination to CO<sub>2</sub>, SO<sub>2</sub>, BCl<sub>3</sub> and Pd<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11876","11883","10.1039/d4dt01399a","","","0.71073","MoKα","","0.0445","0.0337","","","0.0762","0.0806","","","","","","1.044","","","","has coordinates","293841","2024-08-05","18:56:52",""
"7716421","9.646","0.0005","23.9946","0.0012","10.3357","0.0005","90","","107.612","0.002","90","","2280.1","0.2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","JHF","","- C18 H29 Cl2 I N4 -","- C18 H29 Cl2 I N4 -","- C72 H116 Cl8 I4 N16 -","4","1","","Franzen, Jonas H.; Wilm, Lukas F. B.; Rotering, Philipp; Wurst, Klaus; Seidl, Michael; Dielmann, Fabian","Electron-rich pyridines with <i>para</i>-N-heterocyclic imine substituents: ligand properties and coordination to CO<sub>2</sub>, SO<sub>2</sub>, BCl<sub>3</sub> and Pd<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11876","11883","10.1039/d4dt01399a","","","0.71073","MoKα","","0.0535","0.0362","","","0.0696","0.0795","","","","","","1.048","","","","has coordinates","293841","2024-08-05","18:56:52",""
"7716422","17.7755","0.0004","18.4999","0.0004","10.983","0.0002","90","","90","","90","","3611.7","0.13","183","","183","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C30 H46 Br2 Cl2 N6 Pd -","- C30 H46 Br2 Cl2 N6 Pd -","- C120 H184 Br8 Cl8 N24 Pd4 -","4","1","","Franzen, Jonas H.; Wilm, Lukas F. B.; Rotering, Philipp; Wurst, Klaus; Seidl, Michael; Dielmann, Fabian","Electron-rich pyridines with <i>para</i>-N-heterocyclic imine substituents: ligand properties and coordination to CO<sub>2</sub>, SO<sub>2</sub>, BCl<sub>3</sub> and Pd<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11876","11883","10.1039/d4dt01399a","","","0.71073","MoKα","","0.0219","0.0205","","","0.0485","0.0492","","","","","","1.024","","","","has coordinates","293841","2024-08-05","18:56:52",""
"7716423","15.4895","0.0003","9.3366","0.0002","16.3909","0.0003","90","","106.175","0.001","90","","2276.61","0.08","80","2","80","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 Cl N4 Pd -","- C27 H23 Cl N4 Pd -","- C108 H92 Cl4 N16 Pd4 -","4","1","","Chauhan, Rahul; Navale, Govinda R.; Saini, Saakshi; Panwar, Abhishek; Kukreti, Prashant; Saini, Rajat; Roy, Partha; Ghosh, Kaushik","Modulating the aggregation of human prion protein PrP<sub>106-126</sub> by an indole-based cyclometallated palladium complex.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11995","12006","10.1039/d4dt00704b","","","0.71073","MoKα","","0.0268","0.0232","","","0.0544","0.0564","","","","","","1.069","","","","has coordinates","293834","2024-08-05","18:53:27",""
"7716424","16.376","0.0015","12.2333","0.0011","15.8612","0.0014","90","","90","","90","","3177.5","0.5","296.15","","296.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32 H37 B F4 N6 Pd -","- C32 H37 B F4 N6 Pd -","- C128 H148 B4 F16 N24 Pd4 -","4","1","","Li, Haobin; Zhang, Bo; Feng, Rui; Guo, Shuai","An N-heterocyclic carbene-based pincer system of palladium and its versatile reactivity under oxidizing conditions.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11470","11480","10.1039/d4dt00980k","","","0.71073","MoKα","","0.0464","0.0342","","","0.0894","0.0969","","","","","","1.034","","","","has coordinates","293845","2024-08-05","18:58:43",""
"7716425","8.7735","0.0002","8.7735","0.0002","27.538","0.0007","90","","90","","90","","2119.72","0.09","213","2","213","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C22 H29 Br N4 Pd -","- C22 H29 Br N4 Pd -","- C88 H116 Br4 N16 Pd4 -","4","0.5","","Li, Haobin; Zhang, Bo; Feng, Rui; Guo, Shuai","An N-heterocyclic carbene-based pincer system of palladium and its versatile reactivity under oxidizing conditions.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11470","11480","10.1039/d4dt00980k","","","0.71073","MoKα","","0.0167","0.0159","","","0.0386","0.0388","","","","","","1.146","","","","has coordinates","293845","2024-08-05","18:58:43",""
"7716426","11.7271","0.0004","21.7582","0.0007","16.9612","0.0006","90","","94.11","0.002","90","","4316.7","0.3","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C39 H40 B F10 N7 O6 Pd S2 -","- C39 H40 B F10 N7 O6 Pd S2 -","- C156 H160 B4 F40 N28 O24 Pd4 S8 -","4","1","","Li, Haobin; Zhang, Bo; Feng, Rui; Guo, Shuai","An N-heterocyclic carbene-based pincer system of palladium and its versatile reactivity under oxidizing conditions.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11470","11480","10.1039/d4dt00980k","","","0.71073","MoKα","","0.0893","0.0763","","","0.2129","0.2259","","","","","","1.061","","","","has coordinates,has disorder","293845","2024-08-05","18:58:43",""
"7716427","29.2798","0.0006","29.2798","0.0006","16.1106","0.0004","90","","90","","120","","11961.3","0.5","298","","298","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22 H29 Cl3 N4 Pd -","- C22 H29 Cl3 N4 Pd -","- C396 H522 Cl54 N72 Pd18 -","18","1","","Li, Haobin; Zhang, Bo; Feng, Rui; Guo, Shuai","An N-heterocyclic carbene-based pincer system of palladium and its versatile reactivity under oxidizing conditions.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11470","11480","10.1039/d4dt00980k","","","0.71073","MoKα","","0.0623","0.057","","","0.1639","0.1686","","","","","","1.043","","","","has coordinates","293845","2024-08-05","18:58:43",""
"7716428","17.7077","0.0007","19.204","0.0007","20.5693","0.0007","90","","90","","90","","6994.8","0.4","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H39 B2 F8 N7 O Pd -","- C28 H39 B2 F8 N7 O Pd -","- C224 H312 B16 F64 N56 O8 Pd8 -","8","2","","Li, Haobin; Zhang, Bo; Feng, Rui; Guo, Shuai","An N-heterocyclic carbene-based pincer system of palladium and its versatile reactivity under oxidizing conditions.","Dalton transactions (Cambridge, England : 2003)","2024","53","27","11470","11480","10.1039/d4dt00980k","","","0.71073","MoKα","","0.0585","0.0499","","","0.1349","0.1408","","","","","","1.078","","","","has coordinates,has disorder","293845","2024-08-05","18:58:43",""
"7716429","20.4582","0.0001","4.044","0.0002","7.2845","0.0006","90","","90","","90","","602.67","0.06","293","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Al5 Er Pt3 -","- Al5 Er Pt3 -","- Al20 Er4 Pt12 -","4","0.5","","Engel, Stefan; Gießelmann, Elias C J; Schumacher, Lars; Zhang, Yuemei; Müller, Frank; Janka, Oliver","Synthesis, magnetic and NMR spectroscopic properties of the MAl<sub>5</sub>Pt<sub>3</sub> series (M = Ca, Y, La-Nd, Sm-Er).","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12176","12188","10.1039/d4dt01296h","","x-ray","0.71073","MoKα","","0.0457","0.0291","","","0.0594","0.065","","","","1.16","1.16","1.09","","","","has coordinates","293814","2024-08-05","18:44:47",""
"7716430","22.582","0.005","18.782","0.003","16.656","0.006","90","","117.637","0.012","90","","6258","3","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H70 B42 Br2 P2 -","- C44 H70 B42 Br2 P2 -","- C176 H280 B168 Br8 P8 -","4","0.5","","Xiang, Libo; Matler, Alexander; Tan, Leibo; Ye, Qing","Reactivity study of Lewis superacidic carborane-based analogue of 9-bromo-9-borafluorene towards Lewis bases.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11655","11658","10.1039/d4dt01615g","","","0.71073","MoKα","","0.0318","0.0287","","","0.0725","0.0749","","","","","","1.0518","","","","has coordinates","293830","2024-08-05","18:50:58",""
"7716431","12.3887","0.0013","12.963","0.002","29.552","0.003","90","","92.692","0.005","90","","4740.7","1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H60 B42 Br1.35 N2 -","- C19 H60 B42 Br1.344 N2 -","- C76 H240 B168 Br5.376 N8 -","4","1","","Xiang, Libo; Matler, Alexander; Tan, Leibo; Ye, Qing","Reactivity study of Lewis superacidic carborane-based analogue of 9-bromo-9-borafluorene towards Lewis bases.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11655","11658","10.1039/d4dt01615g","","","0.71073","MoKα","","0.0517","0.0371","","","0.0954","0.1043","","","","","","1.043","","","","has coordinates","293830","2024-08-05","18:50:58",""
"7716432","7.326","0.002","12.897","0.004","14.448","0.004","76.466","0.009","85.047","0.01","89.247","0.009","1322.2","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H31 B21 Br N -","- C14 H31 B21 Br N -","- C28 H62 B42 Br2 N2 -","2","1","","Xiang, Libo; Matler, Alexander; Tan, Leibo; Ye, Qing","Reactivity study of Lewis superacidic carborane-based analogue of 9-bromo-9-borafluorene towards Lewis bases.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11655","11658","10.1039/d4dt01615g","","x-ray","0.71073","MoKα","K-L~2,3~","0.0329","0.0282","","","0.0718","0.0742","","","","","","1.054","","","","has coordinates","293830","2024-08-05","18:50:58",""
"7716433","10.4445","0.0003","11.4808","0.0004","14.0816","0.0005","67.709","0.003","86.457","0.003","76.241","0.003","1516.76","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H86 B42 N4 -","- C37 H86 B42 N4 -","- C37 H86 B42 N4 -","1","0.5","","Xiang, Libo; Matler, Alexander; Tan, Leibo; Ye, Qing","Reactivity study of Lewis superacidic carborane-based analogue of 9-bromo-9-borafluorene towards Lewis bases.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11655","11658","10.1039/d4dt01615g","","x-ray","1.54184","CuKα","K-L~2,3~","0.0901","0.0768","","","0.2164","0.2324","","","","","","1.027","","","","has coordinates,has disorder","293830","2024-08-05","18:50:58",""
"7716434","6.6579","0.0001","13.0043","0.0002","22.3782","0.0005","90","","90","","90","","1937.53","0.06","150.01","0.1","150.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 As Mo O3 Si -","- C17 H21 As Mo O3 Si -","- C68 H84 As4 Mo4 O12 Si4 -","4","1","","Kirk, Ryan M.; HIll, Anthony F","σ-Arsolido complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11809","11829","10.1039/d4dt01308e","","x-ray","1.54184","CuKα","","0.0281","0.0264","","","0.0608","0.0617","","","","","","1.036","","","","has coordinates","293832","2024-08-05","18:52:39",""
"7716435","7.6134","0.0002","7.7893","0.0002","14.8554","0.0006","78.829","0.003","88.971","0.003","72.297","0.002","822.56","0.05","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 As Mo O3 -","- C16 H17 As Mo O3 -","- C32 H34 As2 Mo2 O6 -","2","1","","Kirk, Ryan M.; HIll, Anthony F","σ-Arsolido complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11809","11829","10.1039/d4dt01308e","","x-ray","1.54184","CuKα","","0.0403","0.0391","","","0.1115","0.1121","","","","","","1.114","","","","has coordinates","293832","2024-08-05","18:52:39",""
"7716436","7.6696","0.0001","28.8296","0.0003","7.7452","0.0001","90","","106.674","0.001","90","","1640.54","0.04","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 As O3 W -","- C16 H17 As O3 W -","- C64 H68 As4 O12 W4 -","4","1","","Kirk, Ryan M.; HIll, Anthony F","σ-Arsolido complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11809","11829","10.1039/d4dt01308e","","","1.54184","CuKα","","0.0205","0.0203","","","0.0488","0.0488","","","","","","1.224","","","","has coordinates","293832","2024-08-05","18:52:39",""
"7716437","9.0412","0.0003","11.8621","0.0004","14.5361","0.0005","80.871","0.003","81.879","0.003","77.842","0.003","1495.27","0.09","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H24 As Cl -","- C14 H24 As Cl -","- C56 H96 As4 Cl4 -","4","2","","Kirk, Ryan M.; HIll, Anthony F","σ-Arsolido complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11809","11829","10.1039/d4dt01308e","","x-ray","1.54184","CuKα","","0.0319","0.0285","","","0.0722","0.0753","","","","","","1.028","","","","has coordinates","293832","2024-08-05","18:52:39",""
"7716438","18.8875","0.0001","15.381","0.0001","23.5386","0.0002","90","","90","","90","","6838.17","0.08","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H31 As O3 W -","- C42 H31 As O3 W -","- C336 H248 As8 O24 W8 -","8","1","","Kirk, Ryan M.; HIll, Anthony F","σ-Arsolido complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11809","11829","10.1039/d4dt01308e","","x-ray","1.54184","CuKα","","0.0277","0.0247","","","0.0616","0.0636","","","","","","1.037","","","","has coordinates","293832","2024-08-05","18:52:39",""
"7716439","20.3418","0.0001","15.5087","0.0001","17.7651","0.0001","90","","91.43","0.001","90","","5602.7","0.06","150.01","0.1","150.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H25 As Fe O2 -","- C35 H25 As Fe O2 -","- C280 H200 As8 Fe8 O16 -","8","1","","Kirk, Ryan M.; HIll, Anthony F","σ-Arsolido complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11809","11829","10.1039/d4dt01308e","","x-ray","1.54184","CuKα","","0.02","0.0195","","","0.0523","0.0525","","","","","","1.033","","","","has coordinates,has disorder","293832","2024-08-05","18:52:39",""
"7716440","18.8795","0.0001","15.391","0.0001","23.5717","0.0002","90","","90","","90","","6849.33","0.08","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H31 As Mo O3 -","- C42 H31 As Mo O3 -","- C336 H248 As8 Mo8 O24 -","8","1","","Kirk, Ryan M.; HIll, Anthony F","σ-Arsolido complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11809","11829","10.1039/d4dt01308e","","x-ray","1.54184","CuKα","","0.0309","0.0272","","","0.0712","0.0746","","","","","","1.032","","","","has coordinates","293832","2024-08-05","18:52:39",""
"7716441","14.355","0.004","9.7741","0.0006","20.102","0.005","90","","141.48","0.05","90","","1757","2","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 As2 Cl2 -","- C16 H24 As2 Cl2 -","- C64 H96 As8 Cl8 -","4","1","","Kirk, Ryan M.; HIll, Anthony F","σ-Arsolido complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11809","11829","10.1039/d4dt01308e","","x-ray","0.71073","MoKα","","0.057","0.0377","","","0.0723","0.0811","","","","","","1.036","","","","has coordinates","293832","2024-08-05","18:52:39",""
"7716442","13.9317","0.0005","18.7012","0.0007","13.5115","0.0005","90","","101.987","0.001","90","","3443.5","0.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H38 B2 N12 O2 Sm -","- C29 H38 B2 N12 O2 Sm -","- C116 H152 B8 N48 O8 Sm4 -","4","1","","Chowdhury, Tajrian; Wilson, Claire; Farnaby, Joy H.","Activation and functionalisation of carbon dioxide by bis-tris(pyrazolyl)borate-supported divalent samarium and trivalent lanthanide silylamide complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11884","11894","10.1039/d4dt01382d","","","0.71073","MoKα","","0.0277","0.0226","","","0.055","0.0579","","","","","","1.057","","","","has coordinates","293824","2024-08-05","18:49:32",""
"7716443","20.9732","0.0006","28.6287","0.0008","21.4608","0.0006","90","","90","","90","","12885.8","0.6","100","","100","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C38 H40 B4 N24 O4 Sm2 -","- C38 H40 B4 N24 O4 Sm2 -","- C304 H320 B32 N192 O32 Sm16 -","8","0.5","","Chowdhury, Tajrian; Wilson, Claire; Farnaby, Joy H.","Activation and functionalisation of carbon dioxide by bis-tris(pyrazolyl)borate-supported divalent samarium and trivalent lanthanide silylamide complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11884","11894","10.1039/d4dt01382d","","x-ray","0.6889","synchrotron","","0.0644","0.0511","","","0.1389","0.1487","","","","","","1.048","","","","has coordinates","293824","2024-08-05","18:49:33",""
"7716444","17.2101","0.0009","7.7251","0.0003","21.3419","0.001","90","","104.927","0.002","90","","2741.7","0.2","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 B2 N12 O Si Sm -","- C21 H29 B2 N12 O Si Sm -","- C84 H116 B8 N48 O4 Si4 Sm4 -","4","1","","Chowdhury, Tajrian; Wilson, Claire; Farnaby, Joy H.","Activation and functionalisation of carbon dioxide by bis-tris(pyrazolyl)borate-supported divalent samarium and trivalent lanthanide silylamide complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11884","11894","10.1039/d4dt01382d","","","0.71073","MoKα","","0.048","0.0325","","","0.0656","0.0716","","","","","","1.029","","","","has coordinates","293824","2024-08-05","18:49:33",""
"7716445","19.76","0.0013","19.76","0.0013","13.3004","0.0012","90","","90","","120","","4497.5","0.6","273.15","","273.15","","","","","","","","","7","P 63/m","-P 6c","176","","","","- C21 H29 B2 N12 O Si Y -","- C21 H29 B2 N12 O Si Y -","- C126 H174 B12 N72 O6 Si6 Y6 -","6","0.5","","Chowdhury, Tajrian; Wilson, Claire; Farnaby, Joy H.","Activation and functionalisation of carbon dioxide by bis-tris(pyrazolyl)borate-supported divalent samarium and trivalent lanthanide silylamide complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11884","11894","10.1039/d4dt01382d","","","0.71073","MoKα","","0.1456","0.097","","","0.1741","0.1926","","","","","","1.167","","","","has coordinates,has disorder","293824","2024-08-05","18:49:33",""
"7716446","14.5538","0.0006","16.0627","0.0007","15.1034","0.0007","90","","90","","90","","3530.8","0.3","150","","150","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C30 H44 B2 N12 O3 Sm -","- C30 H44 B2 N12 O3 Sm -","- C120 H176 B8 N48 O12 Sm4 -","4","0.5","","Chowdhury, Tajrian; Wilson, Claire; Farnaby, Joy H.","Activation and functionalisation of carbon dioxide by bis-tris(pyrazolyl)borate-supported divalent samarium and trivalent lanthanide silylamide complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11884","11894","10.1039/d4dt01382d","","","0.71073","MoKα","","0.056","0.0307","","","0.0654","0.0763","","","","","","1.04","","","","has coordinates","293824","2024-08-05","18:49:33",""
"7716447","13.007","0.003","9.3117","0.0017","21.482","0.004","90","","96.332","0.007","90","","2586","0.9","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 B2 N14 Y -","- C21 H23 B2 N14 Y -","- C84 H92 B8 N56 Y4 -","4","1","","Chowdhury, Tajrian; Wilson, Claire; Farnaby, Joy H.","Activation and functionalisation of carbon dioxide by bis-tris(pyrazolyl)borate-supported divalent samarium and trivalent lanthanide silylamide complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11884","11894","10.1039/d4dt01382d","","","0.71073","MoKα","","0.1266","0.0842","","","0.1868","0.2119","","","","","","0.999","","","","has coordinates","293824","2024-08-05","18:49:33",""
"7716448","16.5313","0.0005","39.6991","0.0018","27.9152","0.001","90","","105.905","0.003","90","","17618.8","1.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H69 B6 N36 O9 Sm5 -","- C54 H62 B6 N36 O9 Sm5 -","- C432 H496 B48 N288 O72 Sm40 -","8","2","","Chowdhury, Tajrian; Wilson, Claire; Farnaby, Joy H.","Activation and functionalisation of carbon dioxide by bis-tris(pyrazolyl)borate-supported divalent samarium and trivalent lanthanide silylamide complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11884","11894","10.1039/d4dt01382d","","x-ray","1.54178","CuKα","","0.2706","0.1792","","","0.4017","0.4614","","","","","","1.389","","","","has coordinates","293824","2024-08-05","18:49:33",""
"7716449","10.6777","0.0002","11.973","0.0003","15.3503","0.0003","87.221","0.002","89.312","0.002","77.017","0.002","1910.03","0.07","100","0.11","100","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C13 H20 F10 O P Sb -","- C13 H20 F10 O P Sb -","- C52 H80 F40 O4 P4 Sb4 -","4","2","","Krieft, Jonas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Oxidation-dependent Lewis acidity in chalcogen adducts of Sb/P frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11762","11768","10.1039/d4dt01591f","","x-ray","0.71073","MoKα","","0.0452","0.0376","","","0.0926","0.0947","","","","","","1.053","","","","has coordinates","293839","2024-08-05","18:55:45",""
"7716450","8.5637","0.0002","11.6657","0.0003","11.7952","0.0003","93.533","0.002","106.833","0.002","110.076","0.002","1042.21","0.05","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C13 H20 F10 P Sb Te -","- C13 H20 F10 P Sb Te -","- C26 H40 F20 P2 Sb2 Te2 -","2","1","","Krieft, Jonas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Oxidation-dependent Lewis acidity in chalcogen adducts of Sb/P frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11762","11768","10.1039/d4dt01591f","","x-ray","0.71073","MoKα","","0.0271","0.0223","","","0.0455","0.0479","","","","","","1.036","","","","has coordinates","293839","2024-08-05","18:55:46",""
"7716451","6.57","0.0001","24.802","0.0004","11.8819","0.0002","90","","90.318","0.002","90","","1936.12","0.05","100","0.11","100","0.11","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H20 F10 P S Sb -","- C13 H20 F10 P S Sb -","- C52 H80 F40 P4 S4 Sb4 -","4","2","","Krieft, Jonas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Oxidation-dependent Lewis acidity in chalcogen adducts of Sb/P frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11762","11768","10.1039/d4dt01591f","","x-ray","0.71073","MoKα","","0.0265","0.0261","","","0.065","0.0659","","","","","","1.079","","","","has coordinates","293839","2024-08-05","18:55:46",""
"7716452","11.9408","0.0003","14.7066","0.0004","17.0446","0.0004","77.029","0.002","70.351","0.002","69.951","0.002","2627.82","0.12","100.01","0.12","100.01","0.12","","","","","","","","7","P -1","-P 1","2","","","","- C19 H20 Cl4 F10 O2 P Sb -","- C19 H20 Cl4 F10 O2 P Sb -","- C76 H80 Cl16 F40 O8 P4 Sb4 -","4","2","","Krieft, Jonas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Oxidation-dependent Lewis acidity in chalcogen adducts of Sb/P frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11762","11768","10.1039/d4dt01591f","","x-ray","0.71073","MoKα","","0.0291","0.022","","","0.0469","0.0479","","","","","","0.897","","","","has coordinates","293839","2024-08-05","18:55:46",""
"7716453","15.5087","0.0004","17.1296","0.0004","21.3832","0.0007","90","","94.395","0.003","90","","5663.9","0.3","100","0.1","100","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Cl4 F10 O2 P Sb Se -","- C19 H20 Cl4 F10 O2 P Sb Se -","- C152 H160 Cl32 F80 O16 P8 Sb8 Se8 -","8","2","","Krieft, Jonas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Oxidation-dependent Lewis acidity in chalcogen adducts of Sb/P frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11762","11768","10.1039/d4dt01591f","","x-ray","1.54184","CuKα","","0.0665","0.058","","","0.1514","0.1602","","","","","","1.058","","","","has coordinates","293839","2024-08-05","18:55:46",""
"7716454","10.4459","0.0002","11.2266","0.0002","12.8446","0.0003","87.019","0.002","72.235","0.002","68.647","0.002","1333.05","0.05","100","0.11","100","0.11","","","","","","","","7","P -1","-P 1","2","","","","- C19 H20 Cl4 F10 O3 P Sb -","- C19 H20 Cl4 F10 O3 P Sb -","- C38 H40 Cl8 F20 O6 P2 Sb2 -","2","1","","Krieft, Jonas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Oxidation-dependent Lewis acidity in chalcogen adducts of Sb/P frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11762","11768","10.1039/d4dt01591f","","x-ray","0.71073","MoKα","","0.0309","0.0271","","","0.0673","0.0694","","","","","","1.097","","","","has coordinates","293839","2024-08-05","18:55:46",""
"7716455","6.71696","0.00007","11.89385","0.00013","24.6205","0.0002","90","","90","","90","","1966.94","0.03","99.98","0.1","99.98","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 F10 P Sb Se -","- C13 H20 F10 P Sb Se -","- C52 H80 F40 P4 Sb4 Se4 -","4","1","","Krieft, Jonas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Oxidation-dependent Lewis acidity in chalcogen adducts of Sb/P frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11762","11768","10.1039/d4dt01591f","","x-ray","0.71073","MoKα","","0.0175","0.0156","","","0.0304","0.0308","","","","","","1.072","","","","has coordinates","293839","2024-08-05","18:55:46",""
"7716456","8.83394","0.00011","19.19795","0.00019","49.5311","0.0005","90","","91.4434","0.001","90","","8397.49","0.16","99.9","0.3","99.9","0.3","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Cl4 F10 O2 P S Sb -","- C19 H20 Cl4 F10 O2 P S Sb -","- C228 H240 Cl48 F120 O24 P12 S12 Sb12 -","12","3","","Krieft, Jonas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Oxidation-dependent Lewis acidity in chalcogen adducts of Sb/P frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11762","11768","10.1039/d4dt01591f","","x-ray","0.71073","MoKα","","0.0956","0.0895","","","0.1561","0.1584","","","","","","1.343","","","","has coordinates","293839","2024-08-05","18:55:46",""
"7716457","11.25738","0.00007","38.60501","0.00018","16.16983","0.00012","90","","99.9478","0.0007","90","","6921.62","0.08","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 Cl8 F10 O4 P Sb -","- C25 H20 Cl8 F10 O4 P Sb -","- C200 H160 Cl64 F80 O32 P8 Sb8 -","8","2","","Krieft, Jonas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Oxidation-dependent Lewis acidity in chalcogen adducts of Sb/P frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11762","11768","10.1039/d4dt01591f","","x-ray","0.71073","MoKα","","0.0571","0.0526","","","0.1179","0.1199","","","","","","1.217","","","","has coordinates,has disorder","293839","2024-08-05","18:55:46",""
"7716458","8.638","0.0003","31.0524","0.001","8.6749","0.0003","90","","90.667","0.002","90","","2326.72","0.14","120","2","120","2","","","","","","","synthesized by the authors","5","P 1 21 1","P 2yb","4","","","","- C27 H27 Cu N3 O3 -","- C27 H27 Cu N3 O3 -","- C108 H108 Cu4 N12 O12 -","4","2","","Šorm, David; Blahut, Jan; Bashta, Bogdana; Císařová, Ivana; Vrbková, Eva; Vyskočilová, Eliška; Sedláček, Jan","Complex isomerism influencing the textural properties of organometallic [Cu(salen)] porous polymers: paramagnetic solid-state NMR characterization and heterogeneous catalysis.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12162","12175","10.1039/d4dt01305k","","","1.54178","CuKα","","0.0641","0.0606","","","0.141","0.1425","","","","","","1.157","","","","has coordinates","293813","2024-08-05","18:44:38",""
"7716459","14.1633","0.001","9.0797","0.0007","16.0469","0.0011","90","","112.615","0.002","90","","1904.9","0.2","120","2","120","2","","","","","","","synthesized by the authors","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Cu N2 O2 -","- C24 H20 Cu N2 O2 -","- C96 H80 Cu4 N8 O8 -","4","1","","Šorm, David; Blahut, Jan; Bashta, Bogdana; Císařová, Ivana; Vrbková, Eva; Vyskočilová, Eliška; Sedláček, Jan","Complex isomerism influencing the textural properties of organometallic [Cu(salen)] porous polymers: paramagnetic solid-state NMR characterization and heterogeneous catalysis.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12162","12175","10.1039/d4dt01305k","","","1.54178","CuKα","","0.033","0.0317","","","0.0869","0.088","","","","","","1.038","","","","has coordinates","293813","2024-08-05","18:44:38",""
"7716460","16.263","0.0008","16.987","0.0009","21.3893","0.0011","89.937","0.003","85.461","0.003","81.121","0.002","5819.5","0.5","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C61 H45 Ir N4 O2 S2 -","- C61 H45 Ir N4 O2 S2 -","- C244 H180 Ir4 N16 O8 S8 -","4","2","","Liu, Qi-Ming; Liu, Xiao-Jia; Zhong, Xiao-Sheng; Huo, Zhong-Zhong; Shen, Zhen; Zheng, You-Xuan","Efficient narrowband yellow organic light-emitting diodes based on iridium(III) complexes with the rigid indolo[3,2,1-<i>jk</i>]carbazole unit.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12199","12207","10.1039/d4dt01018c","","","1.34139","GaKα","","0.0521","0.0359","","","0.0886","0.0957","","","","","","1.078","","","","has coordinates","293807","2024-08-05","18:42:37",""
"7716461","16.8239","0.0011","15.1822","0.001","19.1241","0.0012","90","","92.412","0.002","90","","4880.4","0.5","193","","193","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H41 Ir N4 O2 S2 -","- C53 H41 Ir N4 O2 S2 -","- C212 H164 Ir4 N16 O8 S8 -","4","0.5","","Liu, Qi-Ming; Liu, Xiao-Jia; Zhong, Xiao-Sheng; Huo, Zhong-Zhong; Shen, Zhen; Zheng, You-Xuan","Efficient narrowband yellow organic light-emitting diodes based on iridium(III) complexes with the rigid indolo[3,2,1-<i>jk</i>]carbazole unit.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12199","12207","10.1039/d4dt01018c","","","1.34139","GaKα","","0.0259","0.024","","","0.0649","0.0669","","","","","","1.071","","","","has coordinates","293807","2024-08-05","18:42:38",""
"7716462","34.043","0.004","8.3744","0.0009","17.891","0.002","90","","110.075","0.004","90","","4790.7","0.9","150","2","150","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H54 Au N2 P S8 -","- C46 H54 Au N2 P S8 -","- C184 H216 Au4 N8 P4 S32 -","4","0.5","","Vitré, Constantin; Le Gal, Yann; Vacher, Antoine; Roisnel, Thierry; Lorcy, Dominique; Santana, Sofia; Prudêncio, Miguel; Pinheiro, Teresa; Marques, Fernanda","Structure-activity relationship of anticancer and antiplasmodial gold bis(dithiolene) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11903","11913","10.1039/d4dt01458h","","x-ray","0.71073","MoKα","","0.062","0.0423","","","0.0997","0.1103","","","","","","1.058","","","","has coordinates","293825","2024-08-05","18:49:44",""
"7716463","9.8734","0.0001","14.1754","0.0002","15.9145","0.0002","98.442","0.001","90.897","0.001","92.689","0.001","2200.25","0.05","150","0.11","150","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C42 H31 Eu N4 O10 -","- C42 H31 Eu N4 O10 -","- C84 H62 Eu2 N8 O20 -","2","1","","Wang, Xiaole; Liu, Weisheng","A novel 2D Eu-MOF as a dual-functional fluorescence sensor for detection of benzaldehyde and Fe<sup>3</sup>.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11850","11857","10.1039/d4dt01512f","","x-ray","0.71073","MoKα","","0.037","0.0296","","","0.0585","0.0613","","","","","","1.042","","","","has coordinates,has disorder","293836","2024-08-05","18:54:27",""
"7716464","18.0295","0.0003","8.4347","0.0001","11.2042","0.0002","90","","106.352","0.002","90","","1634.94","0.05","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 N P S -","- C17 H22 N P S -","- C68 H88 N4 P4 S4 -","4","1","","Predarska, Ivana; Körber, Wieland; Lönnecke, Peter; Gelman, Dmitri; Hey-Hawkins, Evamarie","Synthesis and catalytic activity of heterobimetallic Au/M (M = Rh<sup>III</sup>, Ir<sup>III</sup>) complexes with ditopic mono- and triphosphane ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16159","16169","10.1039/d4dt01247j","","","0.71073","MoKα","","0.0357","0.0322","","","0.0819","0.0843","","","","","","1.147","","","","has coordinates","296546","2024-12-06","18:37:02",""
"7716465","14.532","0.0002","12.6262","0.0002","29.7751","0.0003","90","","92.769","0.001","90","","5456.87","0.13","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H64 Au Cl8 N P3 Rh -","- C48 H64 Au Cl8 N P3 Rh -","- C192 H256 Au4 Cl32 N4 P12 Rh4 -","4","1","","Predarska, Ivana; Körber, Wieland; Lönnecke, Peter; Gelman, Dmitri; Hey-Hawkins, Evamarie","Synthesis and catalytic activity of heterobimetallic Au/M (M = Rh<sup>III</sup>, Ir<sup>III</sup>) complexes with ditopic mono- and triphosphane ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16159","16169","10.1039/d4dt01247j","","","0.71073","MoKα","","0.0614","0.0384","","","0.0633","0.0692","","","","","","1.026","","","","has coordinates,has disorder","296546","2024-12-06","18:37:02",""
"7716466","7.6939","0.0002","14.9164","0.0002","12.6349","0.0003","90","","105.388","0.002","90","","1398.07","0.05","130","2","130","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C27 H36 Au Cl2 N P Rh -","- C27 H36 Au Cl2 N P Rh -","- C54 H72 Au2 Cl4 N2 P2 Rh2 -","2","1","","Predarska, Ivana; Körber, Wieland; Lönnecke, Peter; Gelman, Dmitri; Hey-Hawkins, Evamarie","Synthesis and catalytic activity of heterobimetallic Au/M (M = Rh<sup>III</sup>, Ir<sup>III</sup>) complexes with ditopic mono- and triphosphane ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16159","16169","10.1039/d4dt01247j","","","0.71073","MoKα","","0.0336","0.0302","","","0.0571","0.0586","","","","","","1.038","","","","has coordinates","296546","2024-12-06","18:37:02",""
"7716467","7.8215","0.0001","28.156","0.0002","11.6477","0.0001","90","","93.123","0.001","90","","2561.27","0.04","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H36 Cl N P Rh -","- C27 H36 Cl N P Rh -","- C108 H144 Cl4 N4 P4 Rh4 -","4","1","","Predarska, Ivana; Körber, Wieland; Lönnecke, Peter; Gelman, Dmitri; Hey-Hawkins, Evamarie","Synthesis and catalytic activity of heterobimetallic Au/M (M = Rh<sup>III</sup>, Ir<sup>III</sup>) complexes with ditopic mono- and triphosphane ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16159","16169","10.1039/d4dt01247j","","","0.71073","MoKα","","0.0353","0.0298","","","0.061","0.063","","","","","","1.111","","","","has coordinates","296546","2024-12-06","18:37:02",""
"7716468","23.3145","0.0003","13.9626","0.0002","7.9484","0.0001","90","","90","","90","","2587.45","0.06","130","2","130","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C27 H36 Cl Ir N P S -","- C27 H36 Cl Ir N P S -","- C108 H144 Cl4 Ir4 N4 P4 S4 -","4","1","","Predarska, Ivana; Körber, Wieland; Lönnecke, Peter; Gelman, Dmitri; Hey-Hawkins, Evamarie","Synthesis and catalytic activity of heterobimetallic Au/M (M = Rh<sup>III</sup>, Ir<sup>III</sup>) complexes with ditopic mono- and triphosphane ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16159","16169","10.1039/d4dt01247j","","","0.71073","MoKα","","0.0338","0.0287","","","0.0572","0.0591","","","","","","1.044","","","","has coordinates","296546","2024-12-06","18:37:02",""
"7716469","15.5006","0.0002","23.5607","0.0003","21.0585","0.0003","90","","105.063","0.001","90","","7426.42","0.17","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H46 Au Cl3 N P3 -","- C36 H46 Au Cl3 N P3 -","- C288 H368 Au8 Cl24 N8 P24 -","8","2","","Predarska, Ivana; Körber, Wieland; Lönnecke, Peter; Gelman, Dmitri; Hey-Hawkins, Evamarie","Synthesis and catalytic activity of heterobimetallic Au/M (M = Rh<sup>III</sup>, Ir<sup>III</sup>) complexes with ditopic mono- and triphosphane ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16159","16169","10.1039/d4dt01247j","","","0.71073","MoKα","","0.0809","0.0427","","","0.0745","0.0863","","","","","","1.059","","","","has coordinates,has disorder","296546","2024-12-06","18:37:02",""
"7716470","7.7399","0.0001","14.6308","0.0003","12.9609","0.0003","90","","104.194","0.002","90","","1422.9","0.05","130","2","130","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C28 H40 Cl N O P Rh S -","- C28 H40 Cl N O P Rh S -","- C56 H80 Cl2 N2 O2 P2 Rh2 S2 -","2","1","","Predarska, Ivana; Körber, Wieland; Lönnecke, Peter; Gelman, Dmitri; Hey-Hawkins, Evamarie","Synthesis and catalytic activity of heterobimetallic Au/M (M = Rh<sup>III</sup>, Ir<sup>III</sup>) complexes with ditopic mono- and triphosphane ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16159","16169","10.1039/d4dt01247j","","","0.71073","MoKα","","0.065","0.044","","","0.0634","0.0692","","","","","","0.963","","","","has coordinates","296546","2024-12-06","18:37:02",""
"7716471","10.6637","0.0001","10.8008","0.0002","21.7268","0.0003","82.696","0.001","86.897","0.001","83.742","0.001","2465.26","0.06","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H64 Au Cl2 Ir N3 P3 -","- C49 H64 Au Cl2 Ir N3 P3 -","- C98 H128 Au2 Cl4 Ir2 N6 P6 -","2","1","","Predarska, Ivana; Körber, Wieland; Lönnecke, Peter; Gelman, Dmitri; Hey-Hawkins, Evamarie","Synthesis and catalytic activity of heterobimetallic Au/M (M = Rh<sup>III</sup>, Ir<sup>III</sup>) complexes with ditopic mono- and triphosphane ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16159","16169","10.1039/d4dt01247j","","","0.71073","MoKα","","0.0361","0.0262","","","0.0449","0.0475","","","","","","1.059","","","","has coordinates","296546","2024-12-06","18:37:02",""
"7716472","7.7069","0.0001","14.8363","0.0002","12.6376","0.0002","90","","105.505","0.002","90","","1392.42","0.04","130","2","130","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C27 H36 Au Cl2 Ir N P -","- C27 H36 Au Cl2 Ir N P -","- C54 H72 Au2 Cl4 Ir2 N2 P2 -","2","1","","Predarska, Ivana; Körber, Wieland; Lönnecke, Peter; Gelman, Dmitri; Hey-Hawkins, Evamarie","Synthesis and catalytic activity of heterobimetallic Au/M (M = Rh<sup>III</sup>, Ir<sup>III</sup>) complexes with ditopic mono- and triphosphane ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16159","16169","10.1039/d4dt01247j","","","0.71073","MoKα","","0.0275","0.0257","","","0.0508","0.0516","","","","","","1.052","","","","has coordinates","296546","2024-12-06","18:37:02",""
"7716473","20.243","0.0011","11.4393","0.0006","18.8683","0.001","90","","95.5627","0.0011","90","","4348.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H67 N2 Na O3 -","- C48 H67 N2 Na O3 -","- C192 H268 N8 Na4 O12 -","4","1","","Khrizanforova, Vera V.; Fayzullin, Robert R.; Morozov, Vladimir I.; Budnikova, Yulia H.","Proton-assisted seven-electron acceptor properties of di-iso-propylphenyl-bis-iminoacenaphthene.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11659","11663","10.1039/d4dt01039f","","x-ray","0.71073","MoKα","","0.065","0.0535","","","0.1396","0.1501","","","","","","1.034","","","","has coordinates,has disorder","293835","2024-08-05","18:54:13",""
"7716474","9.7686","0.0003","21.0525","0.0006","15.3129","0.0004","90","","105.369","0.0007","90","","3036.54","0.15","101","2","101","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 N2 -","- C36 H44 N2 -","- C144 H176 N8 -","4","1","","Khrizanforova, Vera V.; Fayzullin, Robert R.; Morozov, Vladimir I.; Budnikova, Yulia H.","Proton-assisted seven-electron acceptor properties of di-iso-propylphenyl-bis-iminoacenaphthene.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11659","11663","10.1039/d4dt01039f","","x-ray","0.71073","MoKα","","0.0663","0.0542","","","0.1405","0.1498","","","","","","1.031","","","","has coordinates","293835","2024-08-05","18:54:14",""
"7716475","11.9362","0.0002","11.9362","0.0002","24.8045","0.0007","90","","90","","120","","3060.51","0.11","101","2","101","2","","","","","","","","5","P 31","P 31","144","","","","- C44 H63 N2 Na O2 -","- C44 H63 N2 Na O2 -","- C132 H189 N6 Na3 O6 -","3","1","","Khrizanforova, Vera V.; Fayzullin, Robert R.; Morozov, Vladimir I.; Budnikova, Yulia H.","Proton-assisted seven-electron acceptor properties of di-iso-propylphenyl-bis-iminoacenaphthene.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11659","11663","10.1039/d4dt01039f","","x-ray","0.71073","MoKα","","0.0464","0.0362","","","0.0709","0.0757","","","","","","1.062","","","","has coordinates","293835","2024-08-05","18:54:14",""
"7716476","12.7513","0.0007","12.7725","0.0007","15.0009","0.0008","67.9803","0.0013","73.9588","0.0014","80.1701","0.0014","2170.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C96.56 H131.67 N4 Na6 O5.72 -","- C96.556 H131.668 N4 Na6 O5.722 -","- C96.556 H131.668 N4 Na6 O5.722 -","1","0.5","","Khrizanforova, Vera V.; Fayzullin, Robert R.; Morozov, Vladimir I.; Budnikova, Yulia H.","Proton-assisted seven-electron acceptor properties of di-iso-propylphenyl-bis-iminoacenaphthene.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11659","11663","10.1039/d4dt01039f","","x-ray","0.71073","MoKα","","0.0498","0.0371","","","0.0912","0.0976","","","","","","1.057","","","","has coordinates,has disorder","293835","2024-08-05","18:54:14",""
"7716477","8.8094","0.0014","11.4931","0.0017","14.075","0.002","90","","107.073","0.006","90","","1362.3","0.4","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Cs Hg2 I5 -","- Cs Hg2 I5 -","- Cs4 Hg8 I20 -","4","1","","Kong, Yingying; Wang, Hongshan; Zhao, Wang; Sun, Qi; Li, Junjie; Pan, Shilie","<i>β</i>-CsHg<sub>2</sub>I<sub>5</sub>, a compound with rare [Hg<sub>2</sub>I<sub>5</sub>] dimers and large optical anisotropy.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12090","12097","10.1039/d4dt01536c","","","0.71073","MoKα","","0.1013","0.062","","","0.1299","0.1465","","","","","","1.055","","","","has coordinates","293817","2024-08-05","18:45:39",""
"7716478","14.0019","0.0016","11.4545","0.0014","19.067","0.003","90","","117.911","0.004","90","","2702.3","0.6","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Cs Hg2 I5 -","- Cs Hg1.997 I5 -","- Cs8 Hg15.976 I40 -","8","2","","Kong, Yingying; Wang, Hongshan; Zhao, Wang; Sun, Qi; Li, Junjie; Pan, Shilie","<i>β</i>-CsHg<sub>2</sub>I<sub>5</sub>, a compound with rare [Hg<sub>2</sub>I<sub>5</sub>] dimers and large optical anisotropy.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12090","12097","10.1039/d4dt01536c","","","0.71073","MoKα","","0.025","0.0218","","","0.0438","0.0449","","","","","","1.081","","","","has coordinates","293817","2024-08-05","18:45:39",""
"7716479","6.6568","0.0006","13.6358","0.0012","11.3226","0.0012","90","","90","","90","","1027.76","0.17","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- B4 Li3 Na7 O26 P6 -","- B4 Li3 Na7 O26 P6 -","- B8 Li6 Na14 O52 P12 -","2","0.5","","Yu, Sujuan; Fan, Jiangtao; Hu, Zhanggui; Wu, Yicheng","Li<sub>3</sub>Na<sub>7</sub>B<sub>4</sub>P<sub>6</sub>O<sub>26</sub>: a new ultraviolet transparent congruently melting non-linear optical crystal.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12331","12337","10.1039/d4dt01428f","","","0.71073","MoKα","","0.0773","0.05","","","0.0926","0.1072","","","","","","1.045","","","","has coordinates","293809","2024-08-05","18:42:57",""
"7716480","17.877","0.007","17.298","0.006","7.251","0.002","90","","90.373","0.005","90","","2242.2","1.3","143","2","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","TAz","","- C24 H16 Br2 N2 O2 Sn -","- C24 H16 Br2 N2 O2 Sn -","- C96 H64 Br8 N8 O8 Sn4 -","4","1","","Gon, Masayuki; Morisaki, Yusuke; Tanimura, Kazuya; Tanaka, Kazuo","Preparation of seven-coordinated hypervalent tin(IV)-fused azobenzene and applications for stimuli-responsive π-conjugated polymer films.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11858","11866","10.1039/d4dt01738b","","","0.71075","MoKα","","0.0543","0.0391","","","0.0674","0.0729","","","","","","1.053","","","","has coordinates,has disorder","293833","2024-08-05","18:52:52",""
"7716481","8.454","0.004","12.256","0.007","14.86","0.008","107.396","0.008","95.828","0.004","103.868","0.006","1401.3","1.3","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","TAz-EDA","","- C26 H24 Br2 N4 O2 Sn -","- C26 H24 Br2 N4 O2 Sn -","- C52 H48 Br4 N8 O4 Sn2 -","2","1","","Gon, Masayuki; Morisaki, Yusuke; Tanimura, Kazuya; Tanaka, Kazuo","Preparation of seven-coordinated hypervalent tin(IV)-fused azobenzene and applications for stimuli-responsive π-conjugated polymer films.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11858","11866","10.1039/d4dt01738b","","","0.71075","MoKα","","0.0691","0.0516","","","0.0918","0.1018","","","","","","0.988","","","","has coordinates","293833","2024-08-05","18:52:52",""
"7716482","10.6657","0.0012","15.3472","0.0017","20.4601","0.002","79.147","0.001","88.954","0.001","76.402","0.001","3195.8","0.6","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C66 H69 F15 N6 Pd3 -","- C66 H62 F15 N6 Pd3 -","- C132 H124 F30 N12 Pd6 -","2","1","","Iida, Tomoki; Sato, Ryota; Yoshigoe, Yusuke; Kanbara, Takaki; Kuwabara, Junpei","Mechanistic study on the reductive elimination of (aryl)(fluoroaryl)palladium complexes: a key step in regiospecific dehydrogenative cross-coupling.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13340","13347","10.1039/d4dt01453g","","","0.71073","MoKα","","0.049","0.047","","","0.103","0.1036","","","","","","1.338","","","","has coordinates","294543","2024-09-06","00:39:18",""
"7716483","9.3955","0.0019","14.564","0.003","16.547","0.004","90","","106.037","0.003","90","","2176.1","0.8","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 F5 N2 Pd -","- C22 H16 F5 N2 Pd -","- C88 H64 F20 N8 Pd4 -","4","1","","Iida, Tomoki; Sato, Ryota; Yoshigoe, Yusuke; Kanbara, Takaki; Kuwabara, Junpei","Mechanistic study on the reductive elimination of (aryl)(fluoroaryl)palladium complexes: a key step in regiospecific dehydrogenative cross-coupling.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13340","13347","10.1039/d4dt01453g","","","0.71073","MoKα","","0.055","0.0408","","","0.0975","0.1045","","","","","","1.065","","","","has coordinates","294543","2024-09-06","00:39:18",""
"7716484","11.3889","0.0003","14.351","0.0005","23.1192","0.0005","90","","93.739","0.002","90","","3770.61","0.18","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H41 Au F6 N2 O -","- C40 H41 Au F6 N2 O -","- C160 H164 Au4 F24 N8 O4 -","4","1","","Arnaut, Pierre; Bracho Pozsoni, Nestor; Nahra, Fady; Tzouras, Nikolaos V.; Nolan, Steven P.","Synthesis and reactivity of N-heterocyclic carbene (NHC) gold-fluoroalkoxide complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11952","11958","10.1039/d4dt01402b","","x-ray","0.71073","MoKα","","0.0616","0.0373","","","0.063","0.0717","","","","","","1.04","","","","has coordinates","293837","2024-08-05","18:54:37",""
"7716485","29.264","0.004","29.264","0.004","17.389","0.003","90","","90","","90","","14892","4","100","2","100","2","","","","","","","","8","I -4","I -4","82","","","","- C69 H68 B2 Cl2 F8 N18 Ni2 O7 -","- C67 H52 B2 Cl2 F8 N18 Ni2 O5 -","- C536 H416 B16 Cl16 F64 N144 Ni16 O40 -","8","1","","Imperato, Manuel; Nicolini, Alessio; Ribas-Ariño, Jordi; Antkowiak, Michał; Roubeau, Olivier; Cornia, Andrea; Novikov, Valentin; Barrios, Leoní A; Aromí, Guillem","Guest selectivity of [Ni<sub>2</sub>] supramolecular helicates.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12301","12306","10.1039/d4dt01611d","","","0.72932","synchrotron","","0.1027","0.0882","","","0.2311","0.2539","","","","","","1.058","","","","has coordinates,has disorder","293815","2024-08-05","18:45:04",""
"7716486","30.0486","0.0013","30.0486","0.0013","19.3054","0.0009","90","","90","","90","","17431.2","1.3","100","2","100","2","","","","","","","","8","I -4","I -4","82","","","","- C76 H98 B Br3 F4 N18 Ni2 O15 -","- C67 H52 B Br3 F4 N18 Ni2 O6 -","- C536 H416 B8 Br24 F32 N144 Ni16 O48 -","8","1","","Imperato, Manuel; Nicolini, Alessio; Ribas-Ariño, Jordi; Antkowiak, Michał; Roubeau, Olivier; Cornia, Andrea; Novikov, Valentin; Barrios, Leoní A; Aromí, Guillem","Guest selectivity of [Ni<sub>2</sub>] supramolecular helicates.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12301","12306","10.1039/d4dt01611d","","","0.72932","synchrotron","","0.1068","0.0991","","","0.2786","0.2911","","","","","","1.054","","","","has coordinates,has disorder","293815","2024-08-05","18:45:05",""
"7716487","7.9686","0.0006","7.9856","0.0006","19.9322","0.0018","98.017","0.007","99.021","0.007","93.425","0.006","1236.11","0.18","150","0.1","150.15","","","","","","","","","5","P -1","-P 1","2","","Poly[(mu-6-aminopyridine-2-carboxylato-k2N,kO:kN)(mu-6-aminopyridine-2-carboxylato-k2N,kO:kO)cadmium(II)]","","- C12 H10 Cd N4 O4 -","- C12 H10 Cd N4 O4 -","- C48 H40 Cd4 N16 O16 -","4","2","","Pajuelo-Corral, Oier; Ortiz-Gómez, Inmaculada; García, Jose Angel; Rodríguez-Diéguez, Antonio; Vitórica-Yrezábal, Iñigo J; Salinas-Castillo, Alfonso; Seco, Jose M.; Cepeda, Javier","A family of Cd(II) coordination polymers constructed from 6-aminopicolinate and bipyridyl co-linkers: study of their growth in paper and photoluminescence sensing of Fe<sup>3+</sup> and Zn<sup>2+</sup> ions.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12138","12151","10.1039/d4dt00410h","","","1.54184","CuKα","","0.1067","0.1034","","","0.2854","0.2882","","","","","","1.058","","","","has coordinates","293816","2024-08-05","18:45:18",""
"7716488","9.1683","0.0012","16.3792","0.0018","8.5948","0.0012","90","","105.423","0.015","90","","1244.2","0.3","150","0.14","150","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[bis(6-aminopyridine-2-carboxylato-k2N,kO)(mu-1,2-di(4-pyridyl)ethylene-kN:kN')cadmium(II)] hydrate","","- C12 H12 Cd0.5 N3 O3 -","- C12 H12 Cd0.5 N3 O3 -","- C48 H48 Cd2 N12 O12 -","4","1","","Pajuelo-Corral, Oier; Ortiz-Gómez, Inmaculada; García, Jose Angel; Rodríguez-Diéguez, Antonio; Vitórica-Yrezábal, Iñigo J; Salinas-Castillo, Alfonso; Seco, Jose M.; Cepeda, Javier","A family of Cd(II) coordination polymers constructed from 6-aminopicolinate and bipyridyl co-linkers: study of their growth in paper and photoluminescence sensing of Fe<sup>3+</sup> and Zn<sup>2+</sup> ions.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12138","12151","10.1039/d4dt00410h","","x-ray","0.71073","MoKα","","0.0371","0.0323","","","0.081","0.0843","","","","","","1.069","","","","has coordinates","293816","2024-08-05","18:45:19",""
"7716489","14.7069","0.0002","16.6281","0.0002","15.3169","0.0002","90","","97.091","0.002","90","","3717.06","0.08","293","2","293","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C9 H8 Cd0.5 N2.5 O2 -","- C9 H8 Cd0.5 N2.5 O2 -","- C144 H128 Cd8 N40 O32 -","16","2","","Pajuelo-Corral, Oier; Ortiz-Gómez, Inmaculada; García, Jose Angel; Rodríguez-Diéguez, Antonio; Vitórica-Yrezábal, Iñigo J; Salinas-Castillo, Alfonso; Seco, Jose M.; Cepeda, Javier","A family of Cd(II) coordination polymers constructed from 6-aminopicolinate and bipyridyl co-linkers: study of their growth in paper and photoluminescence sensing of Fe<sup>3+</sup> and Zn<sup>2+</sup> ions.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12138","12151","10.1039/d4dt00410h","","","0.71073","MoKα","","0.0244","0.0211","","","0.0463","0.048","","","","","","1.037","","","","has coordinates","293816","2024-08-05","18:45:19",""
"7716490","15.4668","0.0002","16.9471","0.0002","8.2657","0.0001","90","","94.949","0.001","90","","2158.51","0.05","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Cd N6 O5 -","- C22 H20 Cd N6 O5 -","- C88 H80 Cd4 N24 O20 -","4","1","","Pajuelo-Corral, Oier; Ortiz-Gómez, Inmaculada; García, Jose Angel; Rodríguez-Diéguez, Antonio; Vitórica-Yrezábal, Iñigo J; Salinas-Castillo, Alfonso; Seco, Jose M.; Cepeda, Javier","A family of Cd(II) coordination polymers constructed from 6-aminopicolinate and bipyridyl co-linkers: study of their growth in paper and photoluminescence sensing of Fe<sup>3+</sup> and Zn<sup>2+</sup> ions.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12138","12151","10.1039/d4dt00410h","","x-ray","1.54184","CuKα","","0.038","0.034","","","0.0969","0.1024","","","","","","1.06","","","","has coordinates","293816","2024-08-05","18:45:19",""
"7716491","21.0218","0.0008","12.7604","0.0003","23.0865","0.0015","90","","115.335","0.006","90","","5597.3","0.5","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[bis(6-aminopyridine-2-carboxylato-k2N,kO)(mu-1,3-di(4-pyridyl)propane-kN:kN')dicadmium(II)] heptahydrate","","- C50 H62 Cd2 N12 O15 -","- C50 H62 Cd2 N12 O15 -","- C200 H248 Cd8 N48 O60 -","4","1","","Pajuelo-Corral, Oier; Ortiz-Gómez, Inmaculada; García, Jose Angel; Rodríguez-Diéguez, Antonio; Vitórica-Yrezábal, Iñigo J; Salinas-Castillo, Alfonso; Seco, Jose M.; Cepeda, Javier","A family of Cd(II) coordination polymers constructed from 6-aminopicolinate and bipyridyl co-linkers: study of their growth in paper and photoluminescence sensing of Fe<sup>3+</sup> and Zn<sup>2+</sup> ions.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12138","12151","10.1039/d4dt00410h","","x-ray","0.71073","MoKα","","0.1127","0.0625","","","0.1119","0.134","","","","","","1.037","","","","has coordinates","293816","2024-08-05","18:45:19",""
"7716492","12.9108","0.0002","17.1765","0.0002","17.5544","0.0002","90","","104.341","0.001","90","","3771.6","0.09","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H49 Cl3 Si3 -","- C37 H49 Cl3 Si3 -","- C148 H196 Cl12 Si12 -","4","1","","Franke, Maurice; Ens, Tobin; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Host-guest chemistry of tridentate Lewis acids based on tribenzotriquinacene.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11970","11980","10.1039/d4dt01558d","","x-ray","1.54184","CuKα","","0.0498","0.0453","","","0.1243","0.1294","","","","","","1.042","","","","has coordinates,has disorder","293829","2024-08-05","18:50:40",""
"7716493","12.455","0.0006","11.6294","0.0004","25.6412","0.0012","90","","98.397","0.004","90","","3674.2","0.3","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C88 H106 B3 N3 -","- C88 H106 B3 N3 -","- C176 H212 B6 N6 -","2","1","","Franke, Maurice; Ens, Tobin; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Host-guest chemistry of tridentate Lewis acids based on tribenzotriquinacene.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11970","11980","10.1039/d4dt01558d","","x-ray","1.54184","CuKα","","0.0918","0.0756","","","0.1569","0.1677","","","","","","1.084","","","","has coordinates,has disorder","293829","2024-08-05","18:50:40",""
"7716494","17.6372","0.0006","16.1597","0.0005","34.9455","0.0011","90","","91.786","0.003","90","","9955","0.6","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H49 F9 O9 S3 Si3 -","- C40 H49 F9 O9 S3 Si3 -","- C320 H392 F72 O72 S24 Si24 -","8","2","","Franke, Maurice; Ens, Tobin; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Host-guest chemistry of tridentate Lewis acids based on tribenzotriquinacene.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11970","11980","10.1039/d4dt01558d","","x-ray","1.54184","CuKα","","0.1289","0.0988","","","0.2465","0.2682","","","","","","1.037","","","","has coordinates,has disorder","293829","2024-08-05","18:50:40",""
"7716495","13.0237","0.0018","15.387","0.002","13.2419","0.0018","90","","115.122","0.002","90","","2402.6","0.6","273","2","273.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 Cl Li N2 Ni O10 -","- C20 H26 Cl Li N2 Ni O10 -","- C80 H104 Cl4 Li4 N8 Ni4 O40 -","4","1","","Bhunia, Pradip; Gomila, Rosa M.; Frontera, Antonio; Ghosh, Ashutosh","Shift of the reduction potential of nickel(II) Schiff base complexes in the presence of redox innocent metal ions.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12316","12330","10.1039/d4dt00953c","","","0.71073","MoKα","","0.1072","0.0858","","","0.2265","0.2478","","","","","","1.042","","","","has coordinates","293810","2024-08-05","18:43:11",""
"7716496","7.5049","0.0011","13.725","0.002","13.796","0.002","117.96","0.002","100.059","0.002","90.427","0.002","1229.3","0.3","273","2","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C21 H26 Cl Li N2 Ni O9 -","- C21 H26 Cl Li N2 Ni O9 -","- C42 H52 Cl2 Li2 N4 Ni2 O18 -","2","1","","Bhunia, Pradip; Gomila, Rosa M.; Frontera, Antonio; Ghosh, Ashutosh","Shift of the reduction potential of nickel(II) Schiff base complexes in the presence of redox innocent metal ions.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12316","12330","10.1039/d4dt00953c","","","0.71073","MoKα","","0.0578","0.0465","","","0.1235","0.1345","","","","","","1.056","","","","has coordinates","293810","2024-08-05","18:43:11",""
"7716497","37.658","0.006","9.0189","0.0013","34.022","0.005","90","","118.229","0.006","90","","10181","3","273","2","273.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 B F4 N4 Na Ni2 O8 -","- C42 H48 B F4 N4 Na Ni2 O8 -","- C336 H384 B8 F32 N32 Na8 Ni16 O64 -","8","1","","Bhunia, Pradip; Gomila, Rosa M.; Frontera, Antonio; Ghosh, Ashutosh","Shift of the reduction potential of nickel(II) Schiff base complexes in the presence of redox innocent metal ions.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12316","12330","10.1039/d4dt00953c","","","0.71073","MoKα","","0.1263","0.064","","","0.1625","0.1965","","","","","","1.01","","","","has coordinates","293810","2024-08-05","18:43:11",""
"7716498","13.5005","0.0007","14.6796","0.0008","14.9474","0.0008","65.522","0.001","68.481","0.001","65.611","0.001","2386","0.2","273","2","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H50 Ba Cl2 N4 Ni2 O17 -","- C42 H50 Ba Cl2 N4 Ni2 O17 -","- C84 H100 Ba2 Cl4 N8 Ni4 O34 -","2","1","","Bhunia, Pradip; Gomila, Rosa M.; Frontera, Antonio; Ghosh, Ashutosh","Shift of the reduction potential of nickel(II) Schiff base complexes in the presence of redox innocent metal ions.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12316","12330","10.1039/d4dt00953c","","","0.71073","MoKα","","0.1265","0.0904","","","0.1536","0.167","","","","","","1.198","","","","has coordinates","293810","2024-08-05","18:43:11",""
"7716499","12.063","0.0014","8.6395","0.001","9.8621","0.0012","90","","118.149","0.002","90","","906.25","0.19","296.15","","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ca Mg O12 P4 -","- Ca Mg O12 P4 -","- Ca4 Mg4 O48 P16 -","4","0.5","","Abudoureheman, Maierhaba; Lv, Jia; Zhu, Menglin; Chen, Hongheng; Wei, Bo; Jin, Lijun; Jing, Qun; Chen, Zhaohui","Structural characterisation and optical properties of new alkaline earth phosphate CaMg(P<sub>4</sub>O<sub>12</sub>) and alkaline alumophosphate Cs<sub>3</sub>Al<sub>4</sub>(PO<sub>4</sub>)<sub>5</sub>.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12560","12566","10.1039/d4dt01446d","","","0.71073","MoKα","","0.0743","0.0416","","","0.0743","0.0865","","","","","","1.05","","","","has coordinates","293868","2024-08-05","19:08:36",""
"7716500","13.4546","0.0012","8.645","0.0008","19.0603","0.0017","90","","107.136","0.003","90","","2118.6","0.3","273.15","","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Al4 Cs3 O20 P5 -","- Al4 Cs3 O20 P5 -","- Al16 Cs12 O80 P20 -","4","1","","Abudoureheman, Maierhaba; Lv, Jia; Zhu, Menglin; Chen, Hongheng; Wei, Bo; Jin, Lijun; Jing, Qun; Chen, Zhaohui","Structural characterisation and optical properties of new alkaline earth phosphate CaMg(P<sub>4</sub>O<sub>12</sub>) and alkaline alumophosphate Cs<sub>3</sub>Al<sub>4</sub>(PO<sub>4</sub>)<sub>5</sub>.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12560","12566","10.1039/d4dt01446d","","","0.71073","MoKα","","0.0636","0.0487","","","0.095","0.1057","","","","","","1.063","","","","has coordinates","293868","2024-08-05","19:08:36",""
"7716501","11.925","0.003","11.935","0.003","13.621","0.004","66.818","0.007","69.337","0.008","65.348","0.012","1577.8","0.7","120","2","120.06","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H45 Cl3 Cu2 N8 O10 -","- C20 H45 Cl3 Cu2 N8 O10 -","- C40 H90 Cl6 Cu4 N16 O20 -","2","1","","Bonastre-Sabater, Irene; Lopera, Alberto; Martínez-Camarena, Álvaro; Blasco, Salvador; Doménech-Carbó, Antonio; Jiménez, Hermas R; Verdejo, Begoña; García-España, Enrique; Clares, M. Paz","Exo- or endo-1<i>H</i>-pyrazole metal coordination modulated by the polyamine chain length in [1 + 1] condensation azamacrocycles. Binuclear complexes with remarkable SOD activity.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16480","16494","10.1039/d4dt01236d","","","0.71073","MoKα","","0.1743","0.1161","","","0.2461","0.2925","","","","","","1.051","","","","has coordinates,has disorder","296582","2024-12-06","19:00:28",""
"7716502","14.263","0.004","14.56","0.004","21.837","0.006","90","","90","","90","","4535","2","120","","120","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C15 H33.75 Br2.87 Cl0.13 Cu N7 O1.38 -","- C15 H33.746 Br2.873 Cl0.127 Cu N7 O1.381 -","- C120 H269.968 Br22.984 Cl1.016 Cu8 N56 O11.048 -","8","1","","Bonastre-Sabater, Irene; Lopera, Alberto; Martínez-Camarena, Álvaro; Blasco, Salvador; Doménech-Carbó, Antonio; Jiménez, Hermas R; Verdejo, Begoña; García-España, Enrique; Clares, M. Paz","Exo- or endo-1<i>H</i>-pyrazole metal coordination modulated by the polyamine chain length in [1 + 1] condensation azamacrocycles. Binuclear complexes with remarkable SOD activity.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16480","16494","10.1039/d4dt01236d","","","0.71073","MoKα","","0.11","0.0459","","","0.0773","0.0992","","","","","","1.069","","","","has coordinates,has disorder","296582","2024-12-06","19:00:28",""
"7716503","10.3541","0.0003","35.1101","0.0008","5.1523","0.0001","90","","102.864","0.003","90","","1826.02","0.08","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H8 F6 Se2 -","- C20 H8 F6 Se2 -","- C80 H32 F24 Se8 -","4","1","","Beckmann, J. Louis; Tiessen, Natalia; Neumann, Beate; Stammler, Hans-Georg; Hoge, Berthold; Mitzel, Norbert W.","Polydentate chalcogen bonding: anion trapping with a water-stable host compound carrying Se-CF<sub>3</sub> functions.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12234","12239","10.1039/d4dt01730g","","x-ray","0.71073","MoKα","","0.0685","0.0463","","","0.0968","0.1048","","","","","","1.092","","","","has coordinates","293821","2024-08-05","18:47:55",""
"7716504","10.9375","0.0006","11.1688","0.0006","11.4551","0.0007","96.766","0.005","98.009","0.005","103.066","0.005","1333.55","0.14","100.01","0.11","100.01","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 F6 O2 Se2 -","- C28 H24 F6 O2 Se2 -","- C56 H48 F12 O4 Se4 -","2","1","","Beckmann, J. Louis; Tiessen, Natalia; Neumann, Beate; Stammler, Hans-Georg; Hoge, Berthold; Mitzel, Norbert W.","Polydentate chalcogen bonding: anion trapping with a water-stable host compound carrying Se-CF<sub>3</sub> functions.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12234","12239","10.1039/d4dt01730g","","x-ray","0.71073","MoKα","","0.0685","0.042","","","0.079","0.0895","","","","","","1.041","","","","has coordinates","293821","2024-08-05","18:47:55",""
"7716505","12.6557","0.0003","23.7019","0.0005","17.6543","0.0004","90","","98.985","0.002","90","","5230.7","0.2","100","0.1","100","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H100 Br N13 P4 -","- C40 H100 Br N13 P4 -","- C160 H400 Br4 N52 P16 -","4","1","","Beckmann, J. Louis; Tiessen, Natalia; Neumann, Beate; Stammler, Hans-Georg; Hoge, Berthold; Mitzel, Norbert W.","Polydentate chalcogen bonding: anion trapping with a water-stable host compound carrying Se-CF<sub>3</sub> functions.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12234","12239","10.1039/d4dt01730g","","x-ray","0.71073","MoKα","","0.0317","0.0275","","","0.0611","0.0632","","","","","","1.031","","","","has coordinates","293821","2024-08-05","18:47:55",""
"7716506","10.7931","0.0006","19.8342","0.0008","21.4238","0.0013","90.139","0.004","100.496","0.005","92.831","0.004","4503.7","0.4","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C80 H116 Cl F12 N13 P4 Se4 -","- C80 H116 Cl F12 N13 P4 Se4 -","- C160 H232 Cl2 F24 N26 P8 Se8 -","2","1","","Beckmann, J. Louis; Tiessen, Natalia; Neumann, Beate; Stammler, Hans-Georg; Hoge, Berthold; Mitzel, Norbert W.","Polydentate chalcogen bonding: anion trapping with a water-stable host compound carrying Se-CF<sub>3</sub> functions.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12234","12239","10.1039/d4dt01730g","","x-ray","1.54184","CuKα","","0.0917","0.0642","","","0.1674","0.1799","","","","","","1.006","","","","has coordinates,has disorder","293821","2024-08-05","18:47:55",""
"7716507","10.76527","0.00016","19.8662","0.0002","21.4344","0.0005","90.3453","0.0013","100.62","0.0016","92.8667","0.0011","4499.37","0.13","100","0.1","100","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C80 H116 Br0.76 F12 N13 O0.24 P4 Se4 -","- C80 H116 Br0.766 F12 N13 O0.234 P4 Se4 -","- C160 H232 Br1.532 F24 N26 O0.468 P8 Se8 -","2","1","","Beckmann, J. Louis; Tiessen, Natalia; Neumann, Beate; Stammler, Hans-Georg; Hoge, Berthold; Mitzel, Norbert W.","Polydentate chalcogen bonding: anion trapping with a water-stable host compound carrying Se-CF<sub>3</sub> functions.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12234","12239","10.1039/d4dt01730g","","x-ray","1.54184","CuKα","","0.0592","0.0554","","","0.1629","0.1652","","","","","","1.06","","","","has coordinates,has disorder","293821","2024-08-05","18:47:55",""
"7716508","10.7927","0.0004","20.0311","0.0009","21.5408","0.001","89.415","0.004","77.434","0.004","87.161","0.003","4539.8","0.3","100","0.1","100","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C80 H116 F12 I0.75 N13 O0.25 P4 Se4 -","- C80 H116 F12 I0.754 N13 O0.246 P4 Se4 -","- C160 H232 F24 I1.508 N26 O0.492 P8 Se8 -","2","1","","Beckmann, J. Louis; Tiessen, Natalia; Neumann, Beate; Stammler, Hans-Georg; Hoge, Berthold; Mitzel, Norbert W.","Polydentate chalcogen bonding: anion trapping with a water-stable host compound carrying Se-CF<sub>3</sub> functions.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12234","12239","10.1039/d4dt01730g","","x-ray","0.71073","MoKα","","0.0705","0.0645","","","0.1477","0.1536","","","","","","1.328","","","","has coordinates,has disorder","293821","2024-08-05","18:47:55",""
"7716509","11.2326","0.0002","26.7724","0.0004","19.2696","0.0003","90","","99.932","0.001","90","","5707.98","0.16","100","0.11","100","0.11","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H106 I N13 O P4 -","- C43 H106 I N13 O P4 -","- C172 H424 I4 N52 O4 P16 -","4","1","","Beckmann, J. Louis; Tiessen, Natalia; Neumann, Beate; Stammler, Hans-Georg; Hoge, Berthold; Mitzel, Norbert W.","Polydentate chalcogen bonding: anion trapping with a water-stable host compound carrying Se-CF<sub>3</sub> functions.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12234","12239","10.1039/d4dt01730g","","x-ray","0.71073","MoKα","","0.0496","0.0349","","","0.0767","0.0825","","","","","","1.038","","","","has coordinates,has disorder","293821","2024-08-05","18:47:55",""
"7716510","17.1681","0.0008","21.145","0.0007","21.2518","0.001","90","","111.64","0.005","90","","7171.1","0.6","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H54 Cl F12 P Se4 -","- C76 H48 Cl F12 P Se4 -","- C304 H192 Cl4 F48 P4 Se16 -","4","1","","Beckmann, J. Louis; Tiessen, Natalia; Neumann, Beate; Stammler, Hans-Georg; Hoge, Berthold; Mitzel, Norbert W.","Polydentate chalcogen bonding: anion trapping with a water-stable host compound carrying Se-CF<sub>3</sub> functions.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12234","12239","10.1039/d4dt01730g","","x-ray","0.71073","MoKα","","0.0441","0.0317","","","0.0705","0.0757","","","","","","1.018","","","","has coordinates,has disorder","293821","2024-08-05","18:47:55",""
"7716511","11.6701","0.0004","8.6917","0.0003","9.1211","0.0003","90","","106.049","0.004","90","","889.12","0.06","100","0.12","100","0.12","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C Cl F3 Se -","- C Cl F3 Se -","- C8 Cl8 F24 Se8 -","8","2","","Beckmann, J. Louis; Tiessen, Natalia; Neumann, Beate; Stammler, Hans-Georg; Hoge, Berthold; Mitzel, Norbert W.","Polydentate chalcogen bonding: anion trapping with a water-stable host compound carrying Se-CF<sub>3</sub> functions.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12234","12239","10.1039/d4dt01730g","","x-ray","0.71073","MoKα","","0.0441","0.0352","","","0.082","0.0888","","","","","","1.0553","","","","has coordinates","293821","2024-08-05","18:47:55",""
"7716512","11.3597","0.0003","13.1741","0.0003","14.8239","0.0004","84.49","0.002","88.86","0.002","79.798","0.002","2173.28","0.1","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C49 H25 F12 Se4 -","- C49 H25 F12 Se4 -","- C98 H50 F24 Se8 -","2","1","","Beckmann, J. Louis; Tiessen, Natalia; Neumann, Beate; Stammler, Hans-Georg; Hoge, Berthold; Mitzel, Norbert W.","Polydentate chalcogen bonding: anion trapping with a water-stable host compound carrying Se-CF<sub>3</sub> functions.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12234","12239","10.1039/d4dt01730g","","x-ray","0.71073","MoKα","","0.0385","0.0269","","","0.0549","0.0591","","","","","","1.0712","","","","has coordinates,has disorder","293821","2024-08-05","18:47:56",""
"7716513","19.607","0.003","17.3104","0.0015","15.5505","0.0015","90","","109.389","0.01","90","","4978.6","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H51 Co N12 O11 S2 -","- C40 H51 Co N12 O11 S2 -","- C160 H204 Co4 N48 O44 S8 -","4","1","","Besleaga, Iuliana; Raptová, Renáta; Stoica, Alexandru-Constantin; Milunovic, Miljan N. M.; Zalibera, Michal; Bai, Ruoli; Igaz, Nóra; Reynisson, Jóhannes; Kiricsi, Mónika; Enyedy, Éva A; Rapta, Peter; Hamel, Ernest; Arion, Vladimir B.","Are the metal identity and stoichiometry of metal complexes important for colchicine site binding and inhibition of tubulin polymerization?","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12349","12369","10.1039/d4dt01469c","","","0.71073","MoKα","","0.0989","0.0526","","","0.1208","0.1289","","","","","","0.915","","","","has coordinates,has disorder","293811","2024-08-05","18:44:03",""
"7716514","13.9111","0.0013","8.543","0.0006","18.0419","0.0018","90","","92.547","0.008","90","","2142","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 N6 O5 S -","- C20 H24 N6 O5 S -","- C80 H96 N24 O20 S4 -","4","1","","Besleaga, Iuliana; Raptová, Renáta; Stoica, Alexandru-Constantin; Milunovic, Miljan N. M.; Zalibera, Michal; Bai, Ruoli; Igaz, Nóra; Reynisson, Jóhannes; Kiricsi, Mónika; Enyedy, Éva A; Rapta, Peter; Hamel, Ernest; Arion, Vladimir B.","Are the metal identity and stoichiometry of metal complexes important for colchicine site binding and inhibition of tubulin polymerization?","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12349","12369","10.1039/d4dt01469c","","x-ray","1.54178","CuKα","","0.1024","0.07","","","0.1771","0.2007","","","","","","0.985","","","","has coordinates","293811","2024-08-05","18:44:04",""
"7716515","9.5512","0.0016","9.8642","0.0017","12.12","0.002","87.313","0.014","80.712","0.013","70.063","0.012","1059.3","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H24 Cl N5 O2 S Zn -","- C20 H24 Cl N5 O2 S Zn -","- C40 H48 Cl2 N10 O4 S2 Zn2 -","2","1","","Besleaga, Iuliana; Raptová, Renáta; Stoica, Alexandru-Constantin; Milunovic, Miljan N. M.; Zalibera, Michal; Bai, Ruoli; Igaz, Nóra; Reynisson, Jóhannes; Kiricsi, Mónika; Enyedy, Éva A; Rapta, Peter; Hamel, Ernest; Arion, Vladimir B.","Are the metal identity and stoichiometry of metal complexes important for colchicine site binding and inhibition of tubulin polymerization?","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12349","12369","10.1039/d4dt01469c","","","0.71073","MoKα","","0.0834","0.0565","","","0.1534","0.1678","","","","","","1.088","","","","has coordinates","293811","2024-08-05","18:44:04",""
"7716516","17.659","0.004","9.9034","0.0013","24.975","0.007","90","","95.42","0.02","90","","4348.2","1.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H49 Co N12 O10 S2 -","- C38 H49 Co N12 O10 S2 -","- C152 H196 Co4 N48 O40 S8 -","4","1","","Besleaga, Iuliana; Raptová, Renáta; Stoica, Alexandru-Constantin; Milunovic, Miljan N. M.; Zalibera, Michal; Bai, Ruoli; Igaz, Nóra; Reynisson, Jóhannes; Kiricsi, Mónika; Enyedy, Éva A; Rapta, Peter; Hamel, Ernest; Arion, Vladimir B.","Are the metal identity and stoichiometry of metal complexes important for colchicine site binding and inhibition of tubulin polymerization?","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12349","12369","10.1039/d4dt01469c","","","0.71073","MoKα","","0.079","0.0416","","","0.0944","0.1053","","","","","","0.929","","","","has coordinates","293811","2024-08-05","18:44:04",""
"7716517","13.9557","0.0012","15.1993","0.0013","24.0558","0.0018","90","","102.43","0.005","90","","4983","0.7","100","2","100","2","","","","","","","","7","I 1 2/c 1","-I 2yc","15","","","","- C20 H25 Cl2 N5 O2 Pd S -","- C20 H25 Cl2 N5 O2 Pd S -","- C160 H200 Cl16 N40 O16 Pd8 S8 -","8","1","","Besleaga, Iuliana; Raptová, Renáta; Stoica, Alexandru-Constantin; Milunovic, Miljan N. M.; Zalibera, Michal; Bai, Ruoli; Igaz, Nóra; Reynisson, Jóhannes; Kiricsi, Mónika; Enyedy, Éva A; Rapta, Peter; Hamel, Ernest; Arion, Vladimir B.","Are the metal identity and stoichiometry of metal complexes important for colchicine site binding and inhibition of tubulin polymerization?","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12349","12369","10.1039/d4dt01469c","","","0.71073","MoKα","","0.0694","0.0369","","","0.0661","0.0687","","","","","","0.854","","","","has coordinates","293811","2024-08-05","18:44:04",""
"7716518","16.8583","0.0016","13.8926","0.0007","21.7744","0.0017","90","","107.706","0.007","90","","4858.1","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42.65 H54.6 Fe N11 O7.65 S2 -","- C42.65 H54.6 Fe N11 O7.65 S2 -","- C170.6 H218.4 Fe4 N44 O30.6 S8 -","4","1","","Besleaga, Iuliana; Raptová, Renáta; Stoica, Alexandru-Constantin; Milunovic, Miljan N. M.; Zalibera, Michal; Bai, Ruoli; Igaz, Nóra; Reynisson, Jóhannes; Kiricsi, Mónika; Enyedy, Éva A; Rapta, Peter; Hamel, Ernest; Arion, Vladimir B.","Are the metal identity and stoichiometry of metal complexes important for colchicine site binding and inhibition of tubulin polymerization?","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12349","12369","10.1039/d4dt01469c","","","0.71073","MoKα","","0.1554","0.0851","","","0.2017","0.2308","","","","","","0.949","","","","has coordinates,has disorder","293811","2024-08-05","18:44:04",""
"7716519","20.022","0.003","8.8256","0.001","17.135","0.002","90","","90","","90","","3027.9","0.7","296","2","296","2","","","","","","","","7","P n n 2","P 2 -2n","34","","","","- C21 H28 Cl N5 Ni O3 S -","- C21 H28 Cl N5 Ni O3 S -","- C84 H112 Cl4 N20 Ni4 O12 S4 -","4","1","","Besleaga, Iuliana; Raptová, Renáta; Stoica, Alexandru-Constantin; Milunovic, Miljan N. M.; Zalibera, Michal; Bai, Ruoli; Igaz, Nóra; Reynisson, Jóhannes; Kiricsi, Mónika; Enyedy, Éva A; Rapta, Peter; Hamel, Ernest; Arion, Vladimir B.","Are the metal identity and stoichiometry of metal complexes important for colchicine site binding and inhibition of tubulin polymerization?","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12349","12369","10.1039/d4dt01469c","","","0.71073","MoKα","","0.0387","0.0301","","","0.0582","0.0603","","","","","","1.022","","","","has coordinates","293811","2024-08-05","18:44:04",""
"7716520","17.773","0.0005","9.9333","0.0002","24.8488","0.0007","90","","95.264","0.002","90","","4368.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H41 Fe N12 O8 S2 -","- C36 H41 Fe N12 O8 S2 -","- C144 H164 Fe4 N48 O32 S8 -","4","1","","Besleaga, Iuliana; Raptová, Renáta; Stoica, Alexandru-Constantin; Milunovic, Miljan N. M.; Zalibera, Michal; Bai, Ruoli; Igaz, Nóra; Reynisson, Jóhannes; Kiricsi, Mónika; Enyedy, Éva A; Rapta, Peter; Hamel, Ernest; Arion, Vladimir B.","Are the metal identity and stoichiometry of metal complexes important for colchicine site binding and inhibition of tubulin polymerization?","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12349","12369","10.1039/d4dt01469c","","","0.71073","MoKα","","0.0517","0.0325","","","0.0733","0.0762","","","","","","0.945","","","","has coordinates","293811","2024-08-05","18:44:04",""
"7716521","44.5464","0.0002","44.5464","0.0002","44.5464","0.0002","90","","90","","90","","88397.1","0.7","100","0.1","100","0.1","","","","","","","","9","F m -3 m","-F 4 2 3","225","","","","- C216 H72 Cu48 Mo4 N96 O204 P V W7 -","- C216 H72 Cu48 Mo4.0008 N96 O204 P0.9998 V1.0008 W7.0008 -","- C864 H288 Cu192 Mo16.0032 N384 O816 P3.9992 V4.0032 W28.0032 -","4","0.0208333","","Qu, Wenjia; Wei, Pengpeng; Li, Jingfang; Liang, Liye; Ma, Liqiang; Li, Guangming","Self-assembly of Dawson-type H<sub>6</sub>P<sub>2</sub>W<sub>18</sub>O<sub>62</sub>@[Cu<sub>6</sub>O(TZI)<sub>3</sub>(H<sub>2</sub>O)<sub>6</sub>]<sub>4</sub> for high-performance aerobic oxidation desulfurization of fuel.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12610","12619","10.1039/d4dt01568a","","x-ray","1.54184","CuKα","","0.0968","0.0935","","","0.2696","0.2732","","","","","","1.062","","","","has coordinates,has disorder","293870","2024-08-05","19:09:13",""
"7716522","8.2247","0.0002","8.78","0.0003","15.8527","0.0005","98.816","0.002","95.151","0.002","93.888","0.002","1122.8","0.06","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C18 H20 As F3 Mo O6 S -","- C18 H20 As F3 Mo O6 S -","- C36 H40 As2 F6 Mo2 O12 S2 -","2","1","","Kirk, Ryan M.; Hill, Anthony F.","Electrophilic As-functionalisation of σ-arsolido complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11959","11969","10.1039/d4dt01371a","","x-ray","1.54184","CuKα","","0.0382","0.0331","","","0.0835","0.0866","","","","","","1.044","","","","has coordinates","293823","2024-08-05","18:49:06",""
"7716523","10.4658","0.0003","7.8509","0.0002","12.0747","0.0003","90","","90.736","0.002","90","","992.05","0.05","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 I Mo O3 -","- C8 H5 I Mo O3 -","- C32 H20 I4 Mo4 O12 -","4","1","","Kirk, Ryan M.; Hill, Anthony F.","Electrophilic As-functionalisation of σ-arsolido complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11959","11969","10.1039/d4dt01371a","","x-ray","1.54184","CuKα","","0.0476","0.0464","","","0.1189","0.1216","","","","","","1.054","","","","has coordinates","293823","2024-08-05","18:49:07",""
"7716524","16.9991","0.0003","23.3532","0.0003","7.2948","0.0001","90","","119.92","0.003","90","","2509.95","0.1","150.01","0.1","150.01","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 As F3 Mo O6 S Si -","- C19 H24 As F3 Mo O6 S Si -","- C76 H96 As4 F12 Mo4 O24 S4 Si4 -","4","1","","Kirk, Ryan M.; Hill, Anthony F.","Electrophilic As-functionalisation of σ-arsolido complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11959","11969","10.1039/d4dt01371a","","x-ray","1.54184","CuKα","","0.0443","0.0411","","","0.1077","0.1108","","","","","","1.027","","","","has coordinates","293823","2024-08-05","18:49:07",""
"7716525","8.8572","0.0003","13.9206","0.0004","16.0715","0.0005","104.867","0.003","104.316","0.003","91.742","0.002","1846.43","0.11","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 As I Mo O2 -","- C16 H20 As I Mo O2 -","- C64 H80 As4 I4 Mo4 O8 -","4","2","","Kirk, Ryan M.; Hill, Anthony F.","Electrophilic As-functionalisation of σ-arsolido complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11959","11969","10.1039/d4dt01371a","","x-ray","1.54184","CuKα","","0.0371","0.0355","","","0.0912","0.0927","","","","","","1.067","","","","has coordinates","293823","2024-08-05","18:49:07",""
"7716526","26.5014","0.0002","26.5014","0.0002","12.167","0.0001","90","","90","","90","","8545.18","0.12","150","0.1","150","0.1","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C29 H23 As -","- C29 H22.9979 As -","- C464 H367.966 As16 -","16","1","","Kirk, Ryan M.; Hill, Anthony F.","Electrophilic As-functionalisation of σ-arsolido complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11959","11969","10.1039/d4dt01371a","","x-ray","1.54184","CuKα","","0.0411","0.0399","","","0.0993","0.1001","","","","","","1.173","","","","has coordinates,has disorder","293823","2024-08-05","18:49:07",""
"7716527","8.3557","0.0003","8.554","0.0002","15.9822","0.0006","80.769","0.003","87.205","0.003","81.552","0.002","1114.92","0.06","149.98","0.15","149.98","0.15","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 As Mo O7 -","- C22 H23 As Mo O7 -","- C44 H46 As2 Mo2 O14 -","2","1","","Kirk, Ryan M.; Hill, Anthony F.","Electrophilic As-functionalisation of σ-arsolido complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11959","11969","10.1039/d4dt01371a","","x-ray","0.71073","MoKα","","0.0423","0.0308","","","0.0612","0.0678","","","","","","1.059","","","","has coordinates","293823","2024-08-05","18:49:07",""
"7716528","8.6242","0.0001","17.9549","0.0002","14.1123","0.0002","90","","103.386","0.001","90","","2125.87","0.05","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 As F6 Mo O3 -","- C20 H17 As F6 Mo O3 -","- C80 H68 As4 F24 Mo4 O12 -","4","1","","Kirk, Ryan M.; Hill, Anthony F.","Electrophilic As-functionalisation of σ-arsolido complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11959","11969","10.1039/d4dt01371a","","x-ray","1.54184","CuKα","","0.0437","0.042","","","0.1042","0.1066","","","","","","1.049","","","","has coordinates","293823","2024-08-05","18:49:07",""
"7716529","7.9883","0.0004","7.6338","0.0003","21.1208","0.0008","90","","91.549","0.004","90","","1287.5","0.1","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 As I -","- C10 H18 As I -","- C40 H72 As4 I4 -","4","1","","Kirk, Ryan M.; Hill, Anthony F.","Electrophilic As-functionalisation of σ-arsolido complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","28","11959","11969","10.1039/d4dt01371a","","x-ray","0.71073","MoKα","","0.0475","0.0322","","","0.0532","0.0583","","","","","","1.046","","","","has coordinates","293823","2024-08-05","18:49:07",""
"7716530","9.4496","0.0009","11.7533","0.0013","12.2973","0.0013","82.993","0.004","87.537","0.004","68.954","0.003","1265.2","0.2","193","","193","","","","","","","","","5","P -1","-P 1","2","","123","","- C14 H24 N16 O7 S2 -","- C14 H24 N16 O7 S2 -","- C28 H48 N32 O14 S4 -","2","1","","Chen, Luyao; Hu, Wei; Lei, Caijin; Zhu, Teng; Li, Chengchuang; Tang, Jie; Cheng, Guangbin; Xiao, Chuan; Yang, Hongwei","Advanced tetracyclic heat-resistant energetic materials based on bis(4-nitropyrazole) bridged 1,2,4-triazole.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12641","12648","10.1039/d4dt01627k","","","0.71073","MoKα","","0.1324","0.0847","","","0.166","0.1962","","","","","","1.055","","","","has coordinates,has disorder","293873","2024-08-05","19:09:56",""
"7716531","6.4237","0.0004","11.3648","0.0008","17.0298","0.0012","100.454","0.002","98.96","0.002","93.903","0.002","1201.74","0.14","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H18 Cl2 N16 O15 -","- C10 H18 Cl2 N16 O15 -","- C20 H36 Cl4 N32 O30 -","2","1","","Chen, Luyao; Hu, Wei; Lei, Caijin; Zhu, Teng; Li, Chengchuang; Tang, Jie; Cheng, Guangbin; Xiao, Chuan; Yang, Hongwei","Advanced tetracyclic heat-resistant energetic materials based on bis(4-nitropyrazole) bridged 1,2,4-triazole.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12641","12648","10.1039/d4dt01627k","","","0.71073","MoKα","","0.1375","0.0847","","","0.1985","0.2377","","","","","","1.027","","","","has coordinates,has disorder","293873","2024-08-05","19:09:56",""
"7716532","12.8659","0.0008","14.552","0.001","14.7553","0.0008","102.293","0.002","107.274","0.002","114.886","0.002","2203.5","0.2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H35 Cl2 Cu3 N6 O6 S3 -","- C34 H35 Cl2 Cu3 N6 O6 S3 -","- C68 H70 Cl4 Cu6 N12 O12 S6 -","2","1","","Penki, Venkata Sai Sashankh; Chu, Yu-Ting; Chen, Hsing-Yin; Sudewi, Sri; Li, Chien-Hung; Huang, Genin Gary; Hsu, Sodio C. N.","Steric and electronic influence on Cu-Cu short contacts in β-thioketiminato tricopper(I) clusters.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13160","13173","10.1039/d4dt01549e","","","0.71073","MoKα","","0.0752","0.0451","","","0.0999","0.1157","","","","","","1.018","","","","has coordinates","294581","2024-09-06","00:56:41",""
"7716533","11.8903","0.0008","13.8732","0.001","15.8152","0.0012","90.204","0.002","90.424","0.002","107.321","0.002","2490.4","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H46 Cu2 F12 N4 S2 -","- C48 H46 Cu2 F12 N4 S2 -","- C96 H92 Cu4 F24 N8 S4 -","2","1","","Penki, Venkata Sai Sashankh; Chu, Yu-Ting; Chen, Hsing-Yin; Sudewi, Sri; Li, Chien-Hung; Huang, Genin Gary; Hsu, Sodio C. N.","Steric and electronic influence on Cu-Cu short contacts in β-thioketiminato tricopper(I) clusters.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13160","13173","10.1039/d4dt01549e","","","0.71073","MoKα","","0.1284","0.074","","","0.1188","0.1422","","","","","","1.063","","","","has coordinates","294581","2024-09-06","00:56:42",""
"7716534","10.3295","0.0005","11.7668","0.0006","13.5546","0.0007","105.523","0.002","104.438","0.001","108.163","0.001","1405.15","0.13","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H29 Cu F6 N2 S -","- C27 H29 Cu F6 N2 S -","- C54 H58 Cu2 F12 N4 S2 -","2","1","","Penki, Venkata Sai Sashankh; Chu, Yu-Ting; Chen, Hsing-Yin; Sudewi, Sri; Li, Chien-Hung; Huang, Genin Gary; Hsu, Sodio C. N.","Steric and electronic influence on Cu-Cu short contacts in β-thioketiminato tricopper(I) clusters.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13160","13173","10.1039/d4dt01549e","","","0.71073","MoKα","","0.0631","0.0472","","","0.0971","0.1065","","","","","","1.079","","","","has coordinates,has disorder","294581","2024-09-06","00:56:42",""
"7716535","21.3849","0.001","9.3117","0.0004","25.5615","0.0012","90","","108.784","0.002","90","","4819","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Cu3 F18 N3 S3 -","- C42 H36 Cu3 F18 N3 S3 -","- C168 H144 Cu12 F72 N12 S12 -","4","1","","Penki, Venkata Sai Sashankh; Chu, Yu-Ting; Chen, Hsing-Yin; Sudewi, Sri; Li, Chien-Hung; Huang, Genin Gary; Hsu, Sodio C. N.","Steric and electronic influence on Cu-Cu short contacts in β-thioketiminato tricopper(I) clusters.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13160","13173","10.1039/d4dt01549e","","","1.54178","CuKα","","0.0931","0.0691","","","0.1883","0.2126","","","","","","1.094","","","","has coordinates","294581","2024-09-06","00:56:42",""
"7716536","13.1496","0.0002","15.5846","0.0002","43.1275","0.0005","90","","98.134","0.001","90","","8749.3","0.2","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3.27 H3.1 Cl0.49 Cu0.24 N0.24 S0.24 -","- C3.26531 H3.10204 Cl0.489796 Cu0.244898 N0.244898 S0.244898 -","- C320 H304 Cl48 Cu24 N24 S24 -","98","24.5","","Penki, Venkata Sai Sashankh; Chu, Yu-Ting; Chen, Hsing-Yin; Sudewi, Sri; Li, Chien-Hung; Huang, Genin Gary; Hsu, Sodio C. N.","Steric and electronic influence on Cu-Cu short contacts in β-thioketiminato tricopper(I) clusters.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13160","13173","10.1039/d4dt01549e","","x-ray","0.71073","MoKα","","0.0336","0.0291","","","0.0647","0.0664","","","","","","1.036","","","","has coordinates,has disorder","294581","2024-09-06","00:56:42",""
"7716537","18.8952","0.0005","15.8452","0.0003","27.6238","0.0008","90","","99.566","0.003","90","","8155.5","0.4","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C74 H70 Cu6 F18 N6 O2 S6 -","- C74 H70 Cu6 F18 N6 O2 S6 -","- C296 H280 Cu24 F72 N24 O8 S24 -","4","1","","Penki, Venkata Sai Sashankh; Chu, Yu-Ting; Chen, Hsing-Yin; Sudewi, Sri; Li, Chien-Hung; Huang, Genin Gary; Hsu, Sodio C. N.","Steric and electronic influence on Cu-Cu short contacts in β-thioketiminato tricopper(I) clusters.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13160","13173","10.1039/d4dt01549e","","x-ray","0.71073","MoKα","","0.0793","0.0622","","","0.1299","0.1356","","","","","","1.055","","","","has coordinates","294581","2024-09-06","00:56:42",""
"7716538","9.951","0.003","23.683","0.005","19.487","0.005","90","","101.8","0.014","90","","4495","2","120","","120.15","","","","","","","","","7","I 1 2/m 1","-I 2y","12","","","","- C73 H86 Cl Mn2 N12 O19 Ru -","- C49 H30 Cl Mn2 N4 O11 Ru -","- C98 H60 Cl2 Mn4 N8 O22 Ru2 -","2","0.25","","Xiao, Xiang; Shen, Kesheng; Jing, Xu; Duan, Chunying","A Ru-porphyrin metal-organic framework with Mn<sup>2+</sup> paddlewheel nodes for the selective oxidation of C(sp<sup>3</sup>)-H bonds.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12604","12609","10.1039/d4dt01332h","","","0.71073","MoKα","","0.0656","0.0538","","","0.1533","0.1644","","","","","","1.046","","","","has coordinates,has disorder","293866","2024-08-05","19:08:12",""
"7716539","13.3821","0.0014","14.4273","0.0015","16.1242","0.0016","114.579","0.004","94.841","0.004","102.837","0.004","2704.8","0.5","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C37 H30 N7 Re3 Se4 -","- C37 H30 N7 Re3 Se4 -","- C74 H60 N14 Re6 Se8 -","2","1","","Kashnik, Ilya V.; Cordier, Marie; Brylev, Konstantin A.; Bouit, Pierre-Antoine; Cordier, Stéphane; Molard, Yann","Emissive supramolecular ionic crystals combining a red-NIR phosphorescent [Re<sub>6</sub>Se<sub>8</sub>CN<sub>6</sub>]<sup>4-</sup> cluster anion and a blue fluorescent tetraphenylethene counter-cation.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12047","12051","10.1039/d4dt01488j","","x-ray","0.71073","MoKα","","0.056","0.0389","","","0.0949","0.108","","","","","","1.05","","","","has coordinates","293808","2024-08-05","18:42:46",""
"7716540","12.688","0.007","14.426","0.007","16.484","0.01","113.275","0.017","111.806","0.015","91.44","0.02","2521","2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C120.25 H119.96 Cl0.19 Fe N5.56 O10 -","- C120.252 H119.964 Cl0.192 Fe N5.556 O10 -","- C120.252 H119.964 Cl0.192 Fe N5.556 O10 -","1","0.5","","Harland, Jill B.; LaLonde, Ashley B.; Thomas, Diamond J.; Castella, Daniel G.; Kampf, Jeff W.; Zeller, Matthias; Alp, E. Ercan; Hu, Michael Y.; Zhao, Jiyong; Lehnert, Nicolai","Vibrational properties of heme-nitrosoalkane complexes in comparison with those of their HNO analogs, and reactivity studies towards nitric oxide and Lewis acids.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13906","13924","10.1039/d4dt01632g","","","0.71073","MoKα","","0.144","0.0634","","","0.1379","0.1712","","","","","","1.003","","","","has coordinates,has disorder","294559","2024-09-06","00:45:01",""
"7716541","12.6436","0.0004","14.3552","0.0004","16.4422","0.0005","113.087","0.0014","111.548","0.0012","91.5369","0.0013","2501.99","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C118.53 H118.37 Cl0.67 Fe N6 O9.04 -","- C118.528 H118.366 Cl0.668 Fe N6 O9.044 -","- C118.528 H118.366 Cl0.668 Fe N6 O9.044 -","1","0.5","","Harland, Jill B.; LaLonde, Ashley B.; Thomas, Diamond J.; Castella, Daniel G.; Kampf, Jeff W.; Zeller, Matthias; Alp, E. Ercan; Hu, Michael Y.; Zhao, Jiyong; Lehnert, Nicolai","Vibrational properties of heme-nitrosoalkane complexes in comparison with those of their HNO analogs, and reactivity studies towards nitric oxide and Lewis acids.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13906","13924","10.1039/d4dt01632g","","","1.54178","CuKα","","0.0465","0.0436","","","0.1194","0.122","","","","","","1.091","","","","has coordinates,has disorder","294559","2024-09-06","00:45:02",""
"7716542","12.7311","0.0002","23.0067","0.0004","15.9889","0.0011","90","","93.621","0.007","90","","4673.8","0.3","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C119 H107 Fe N5 O10 -","- C119 H107 Fe N5 O10 -","- C238 H214 Fe2 N10 O20 -","2","0.5","","Harland, Jill B.; LaLonde, Ashley B.; Thomas, Diamond J.; Castella, Daniel G.; Kampf, Jeff W.; Zeller, Matthias; Alp, E. Ercan; Hu, Michael Y.; Zhao, Jiyong; Lehnert, Nicolai","Vibrational properties of heme-nitrosoalkane complexes in comparison with those of their HNO analogs, and reactivity studies towards nitric oxide and Lewis acids.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13906","13924","10.1039/d4dt01632g","","","1.54187","CuKα","","0.0442","0.0429","","","0.1113","0.1124","","","","","","1.079","","","","has coordinates,has disorder","294559","2024-09-06","00:45:02",""
"7716543","13.4128","0.0009","15.7751","0.001","18.9793","0.0013","90","","94.719","0.007","90","","4002.2","0.5","85","2","85.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H43 Fe N6 O -","- C51 H43 Fe N5 O2 -","- C204 H172 Fe4 N20 O8 -","4","1","","Harland, Jill B.; LaLonde, Ashley B.; Thomas, Diamond J.; Castella, Daniel G.; Kampf, Jeff W.; Zeller, Matthias; Alp, E. Ercan; Hu, Michael Y.; Zhao, Jiyong; Lehnert, Nicolai","Vibrational properties of heme-nitrosoalkane complexes in comparison with those of their HNO analogs, and reactivity studies towards nitric oxide and Lewis acids.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13906","13924","10.1039/d4dt01632g","","","1.54178","CuKα","","0.0621","0.0612","","","0.1614","0.1621","","","","","","1.048","","","","has coordinates,has disorder","294559","2024-09-06","00:45:02",""
"7716544","11.75223","0.00016","17.0546","0.0002","23.4214","0.0002","93.5688","0.001","100.622","0.001","109.285","0.0013","4316.47","0.1","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C114 H89 Fe2 N11 O4 -","- C114 H89 Fe2 N11 O4 -","- C228 H178 Fe4 N22 O8 -","2","1","","Harland, Jill B.; LaLonde, Ashley B.; Thomas, Diamond J.; Castella, Daniel G.; Kampf, Jeff W.; Zeller, Matthias; Alp, E. Ercan; Hu, Michael Y.; Zhao, Jiyong; Lehnert, Nicolai","Vibrational properties of heme-nitrosoalkane complexes in comparison with those of their HNO analogs, and reactivity studies towards nitric oxide and Lewis acids.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13906","13924","10.1039/d4dt01632g","","","1.54184","CuKα","","0.0444","0.0436","","","0.1159","0.1169","","","","","","1.058","","","","has coordinates,has disorder","294559","2024-09-06","00:45:02",""
"7716545","9.1097","0.0002","14.8835","0.0003","13.8216","0.0003","90","","94.137","0.002","90","","1869.11","0.07","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","a","","- C13 H21 Cl2 N3 O2 Ru S2 -","- C13 H21 Cl2 N3 O2 Ru S2 -","- C52 H84 Cl8 N12 O8 Ru4 S8 -","4","1","","Shahid, Nida; Singh, Amrendra K.","Unravelling the kinetics of electro- and photochemical S → O linkage isomerization in Ru(II)-NHC-DMSO complexes utilised for photoinduced substitution reactions.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12662","12675","10.1039/d4dt01200c","","x-ray","0.71073","MoKα","","0.0966","0.0588","","","0.1234","0.1735","","","","","","1.2555","","","","has coordinates","293865","2024-08-05","19:08:01",""
"7716546","17.2169","0.0003","17.2169","0.0003","15.7297","0.0004","90","","90","","120","","4037.95","0.14","120","0.1","120","0.1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C18 H18 Cr N15 O9 -","- C18 H18 Cr N15 O9 -","- C108 H108 Cr6 N90 O54 -","6","0.333333","","Chong, Julien; Benchohra, Amina; Besnard, Céline; Guénée, Laure; Rosspeintner, Arnulf; Cruz, Carlos M.; Jiménez, Juan-Ramón; Piguet, Claude","Taming 2,2'-biimidazole ligands in trivalent chromium complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","38","15801","15814","10.1039/d4dt01608d","","x-ray","1.54184","CuKα","","0.0533","0.0502","","","0.1473","0.15","","","","","","1.126","","","","has coordinates","295281","2024-10-06","08:13:56",""
"7716547","17.8046","0.0003","17.8046","0.0003","22.4548","0.0004","90","","90","","120","","6164.59","0.18","100","0.11","100","0.11","","","","","","","","5","R -3 :H","-R 3","148","","","","- C28 H55 Cr N12 O10 -","- C18 H15 Cr N12 -","- C108 H90 Cr6 N72 -","6","0.333333","","Chong, Julien; Benchohra, Amina; Besnard, Céline; Guénée, Laure; Rosspeintner, Arnulf; Cruz, Carlos M.; Jiménez, Juan-Ramón; Piguet, Claude","Taming 2,2'-biimidazole ligands in trivalent chromium complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","38","15801","15814","10.1039/d4dt01608d","","x-ray","1.54184","CuKα","","0.0771","0.0758","","","0.2422","0.244","","","","","","1.067","","","","has coordinates","295281","2024-10-06","08:13:58",""
"7716548","8.24157","0.00006","24.44046","0.00017","20.22184","0.00013","90","","99.0717","0.0006","90","","4022.29","0.05","100","0.13","100","0.13","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H38 Cr N12 O P -","- C43 H38 Cr N12 O P -","- C172 H152 Cr4 N48 O4 P4 -","4","1","","Chong, Julien; Benchohra, Amina; Besnard, Céline; Guénée, Laure; Rosspeintner, Arnulf; Cruz, Carlos M.; Jiménez, Juan-Ramón; Piguet, Claude","Taming 2,2'-biimidazole ligands in trivalent chromium complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","38","15801","15814","10.1039/d4dt01608d","","x-ray","1.54184","CuKα","","0.0416","0.0402","","","0.1114","0.1123","","","","","","1.036","","","","has coordinates,has disorder","295281","2024-10-06","08:13:58",""
"7716549","16.6274","0.0003","19.7662","0.0003","12.2436","0.0002","90","","108.113","0.002","90","","3824.58","0.12","120","0.1","120","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H30 Cr F9 N12 O9 S3 -","- C27 H30 Cr F9 N12 O9 S3 -","- C108 H120 Cr4 F36 N48 O36 S12 -","4","0.5","","Chong, Julien; Benchohra, Amina; Besnard, Céline; Guénée, Laure; Rosspeintner, Arnulf; Cruz, Carlos M.; Jiménez, Juan-Ramón; Piguet, Claude","Taming 2,2'-biimidazole ligands in trivalent chromium complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","38","15801","15814","10.1039/d4dt01608d","","x-ray","1.54184","CuKα","","0.0311","0.0302","","","0.0829","0.0835","","","","","","1.064","","","","has coordinates,has disorder","295281","2024-10-06","08:13:58",""
"7716550","17.8506","0.0003","17.207","0.0003","12.78022","0.00017","90","","93.9394","0.0014","90","","3916.24","0.11","109.99","0.1","109.99","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H22.5 Cr F9 N8 O9.25 S3 -","- C33 H22.5 Cr F9 N8 O9.25 S3 -","- C132 H90 Cr4 F36 N32 O37 S12 -","4","1","","Chong, Julien; Benchohra, Amina; Besnard, Céline; Guénée, Laure; Rosspeintner, Arnulf; Cruz, Carlos M.; Jiménez, Juan-Ramón; Piguet, Claude","Taming 2,2'-biimidazole ligands in trivalent chromium complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","38","15801","15814","10.1039/d4dt01608d","","x-ray","1.54184","CuKα","","0.0824","0.072","","","0.1882","0.1952","","","","","","1.057","","","","has coordinates,has disorder","295281","2024-10-06","08:13:58",""
"7716551","10.6371","0.0004","13.6703","0.0005","14.013","0.0006","79.588","0.003","68.575","0.004","68.511","0.003","1762.41","0.13","120","0.1","120","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C32 H22 Cr F6 N8 O6.5 S2 -","- C32 H22 Cr F6 N8 O6.5 S2 -","- C64 H44 Cr2 F12 N16 O13 S4 -","2","1","","Chong, Julien; Benchohra, Amina; Besnard, Céline; Guénée, Laure; Rosspeintner, Arnulf; Cruz, Carlos M.; Jiménez, Juan-Ramón; Piguet, Claude","Taming 2,2'-biimidazole ligands in trivalent chromium complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","38","15801","15814","10.1039/d4dt01608d","","x-ray","1.54184","CuKα","","0.0651","0.0544","","","0.1486","0.1574","","","","","","1.074","","","","has coordinates,has disorder","295281","2024-10-06","08:13:58",""
"7716552","11.7735","0.0004","11.8329","0.0004","12.6821","0.0004","107.378","0.003","98.544","0.003","96.353","0.003","1644.79","0.1","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C32.5 H26 Cr F3 N8 O4.5 S -","- C32.5 H26 Cr F3 N8 O4.5 S -","- C65 H52 Cr2 F6 N16 O9 S2 -","2","1","","Chong, Julien; Benchohra, Amina; Besnard, Céline; Guénée, Laure; Rosspeintner, Arnulf; Cruz, Carlos M.; Jiménez, Juan-Ramón; Piguet, Claude","Taming 2,2'-biimidazole ligands in trivalent chromium complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","38","15801","15814","10.1039/d4dt01608d","","x-ray","1.54184","CuKα","","0.0603","0.0563","","","0.1698","0.1757","","","","","","1.045","","","","has coordinates,has disorder","295281","2024-10-06","08:13:58",""
"7716553","8.11093","0.00016","25.0497","0.0006","19.6595","0.0006","90","","99.692","0.002","90","","3937.33","0.17","286","6","286","6","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H34 Cr N12 P -","- C42 H34 Cr N12 P -","- C168 H136 Cr4 N48 P4 -","4","1","","Chong, Julien; Benchohra, Amina; Besnard, Céline; Guénée, Laure; Rosspeintner, Arnulf; Cruz, Carlos M.; Jiménez, Juan-Ramón; Piguet, Claude","Taming 2,2'-biimidazole ligands in trivalent chromium complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","38","15801","15814","10.1039/d4dt01608d","","x-ray","1.54184","CuKα","","0.0828","0.0657","","","0.1265","0.1342","","","","","","1.159","","","","has coordinates","295281","2024-10-06","08:13:58",""
"7716554","6.8363","0.0002","13.7717","0.0003","14.7817","0.0003","99.106","0.002","95.598","0.002","104.37","0.002","1317.44","0.06","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C19 H32 Cl3 Cr N8 O3 -","- C19 H32 Cl3 Cr N8 O3 -","- C38 H64 Cl6 Cr2 N16 O6 -","2","1","","Chong, Julien; Benchohra, Amina; Besnard, Céline; Guénée, Laure; Rosspeintner, Arnulf; Cruz, Carlos M.; Jiménez, Juan-Ramón; Piguet, Claude","Taming 2,2'-biimidazole ligands in trivalent chromium complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","38","15801","15814","10.1039/d4dt01608d","","x-ray","1.54184","CuKα","","0.084","0.0704","","","0.1859","0.1943","","","","","","1.046","","","","has coordinates,has disorder","295281","2024-10-06","08:13:58",""
"7716555","7.7457","0.0018","15.224","0.004","17.898","0.004","90","","100.367","0.006","90","","2076.1","0.9","298","2","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Cy2NNN)MnCl2","(Cy2NNN)MnCl2","","- C19 H26 Cl2 Mn N3 -","- C19 H26 Cl2 Mn N3 -","- C76 H104 Cl8 Mn4 N12 -","4","1","","Bisarya, Akshara; Dhole, Sunil; Kumar, Akshai","Efficient net transfer-dehydrogenation of glycerol: NNN pincer-Mn and manganese chloride as a catalyst unlocks the effortless production of lactic acid and isopropanol.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12698","12709","10.1039/d4dt01731e","","x-ray","0.71073","MoKα","","0.0464","0.0359","","","0.0846","0.0948","","","","","","1.061","","","","has coordinates,has disorder","293872","2024-08-05","19:09:41",""
"7716556","7.6526","0.001","17.402","0.002","13.8792","0.0017","90","","98.775","0.004","90","","1826.7","0.4","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Ph2NNN)MnCl2","(Ph2NNN)MnCl2","","- C19 H15 Cl2 Mn N3 -","- C19 H15 Cl2 Mn N3 -","- C76 H60 Cl8 Mn4 N12 -","4","0.5","","Bisarya, Akshara; Dhole, Sunil; Kumar, Akshai","Efficient net transfer-dehydrogenation of glycerol: NNN pincer-Mn and manganese chloride as a catalyst unlocks the effortless production of lactic acid and isopropanol.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12698","12709","10.1039/d4dt01731e","","x-ray","0.71073","MoKα","","0.0453","0.0353","","","0.067","0.0718","","","","","","1.109","","","","has coordinates","293872","2024-08-05","19:09:41",""
"7716557","9.8115","0.0011","14.4759","0.0015","16.017","0.0018","90","","102.785","0.003","90","","2218.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(tBu2NNN)MnCl2","(tBu2NNN)MnCl2","","- C16 H25 Cl4 Mn N3 -","- C16 H25 Cl4 Mn N3 -","- C64 H100 Cl16 Mn4 N12 -","4","1","","Bisarya, Akshara; Dhole, Sunil; Kumar, Akshai","Efficient net transfer-dehydrogenation of glycerol: NNN pincer-Mn and manganese chloride as a catalyst unlocks the effortless production of lactic acid and isopropanol.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12698","12709","10.1039/d4dt01731e","","x-ray","0.71073","MoKα","","0.0589","0.0442","","","0.088","0.0978","","","","","","1.073","","","","has coordinates,has disorder","293872","2024-08-05","19:09:41",""
"7716558","11.2911","0.0013","12.0182","0.0014","12.2882","0.0015","90","","104.003","0.003","90","","1617.9","0.3","295","2","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(iPr2NNN)MnCl2","(iPr2NNN)MnCl2","","- C13 H19 Cl2 Mn N3 -","- C13 H19 Cl2 Mn N3 -","- C52 H76 Cl8 Mn4 N12 -","4","1","","Bisarya, Akshara; Dhole, Sunil; Kumar, Akshai","Efficient net transfer-dehydrogenation of glycerol: NNN pincer-Mn and manganese chloride as a catalyst unlocks the effortless production of lactic acid and isopropanol.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12698","12709","10.1039/d4dt01731e","","x-ray","0.71073","MoKα","","0.058","0.0409","","","0.0824","0.0925","","","","","","1.114","","","","has coordinates,has disorder","293872","2024-08-05","19:09:41",""
"7716559","14.9384","0.0003","13.4833","0.0002","10.62046","0.00018","90","","97.8443","0.0016","90","","2119.14","0.06","199.99","0.1","199.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 Cd N3 O2 S -","- C21 H23 Cd N3 O2 S -","- C84 H92 Cd4 N12 O8 S4 -","4","1","","Malik, Suvamoy; Mondal, Udayan; Jana, Narayan Ch; Banerjee, Priyabrata; Saha, Amrita","Using eugenol scaffold to explore the explosive sensing properties of Cd(II)-based coordination polymers: experimental studies and real sample analysis.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","12995","13011","10.1039/d4dt01239a","","x-ray","1.54184","CuKα","","0.0381","0.0337","","","0.0859","0.0888","","","","","","1.044","","","","has coordinates","294579","2024-09-06","00:56:06",""
"7716560","14.4942","0.0009","10.3261","0.0007","15.7836","0.001","90","","115.732","0.002","90","","2128","0.2","273","2","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22.5 Cd N5 O2 -","- C22 H22.5 Cd N5 O2 -","- C88 H90 Cd4 N20 O8 -","4","1","","Malik, Suvamoy; Mondal, Udayan; Jana, Narayan Ch; Banerjee, Priyabrata; Saha, Amrita","Using eugenol scaffold to explore the explosive sensing properties of Cd(II)-based coordination polymers: experimental studies and real sample analysis.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","12995","13011","10.1039/d4dt01239a","","","0.71073","MoKα","","0.0385","0.0293","","","0.0585","0.0635","","","","","","1.096","","","","has coordinates,has disorder","294579","2024-09-06","00:56:06",""
"7716561","29.6327","0.0003","29.6327","0.0003","18.1052","0.0002","90","","90","","120","","13768.2","0.2","100","0.2","100","0.2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C29 H46 N2 Ni O S2 -","- C29 H46 N2 Ni O S2 -","- C522 H828 N36 Ni18 O18 S36 -","18","1","","Bag, Jayanta; Das, Surajit; Pal, Kuntal","Terminal {Ni(II)-SH} complex promoted anaerobic catalytic sulfur atom transfer reaction: implication to the sulfide oxidase function of Cu/Zn-superoxide dismutase.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12773","12782","10.1039/d4dt01364f","","x-ray","1.54184","CuKα","","0.0421","0.041","","","0.1093","0.1106","","","","","","1.037","","","","has coordinates,has disorder","293858","2024-08-05","19:05:16",""
"7716562","19.2573","0.0001","13.2144","0.0001","13.0939","0.0001","90","","90","","90","","3332.05","0.04","101","1","101","1","","","","","","","","7","P c a 21","P 2c -2ac","29","","ND-249_auto__ final clear data","","- C39 H40 N Ni O P S -","- C39 H40 N Ni O P S -","- C156 H160 N4 Ni4 O4 P4 S4 -","4","1","","Bag, Jayanta; Das, Surajit; Pal, Kuntal","Terminal {Ni(II)-SH} complex promoted anaerobic catalytic sulfur atom transfer reaction: implication to the sulfide oxidase function of Cu/Zn-superoxide dismutase.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12773","12782","10.1039/d4dt01364f","","x-ray","1.54184","CuKα","","0.0344","0.0338","","","0.0924","0.0933","","","","","","1.079","","","","has coordinates","293858","2024-08-05","19:05:17",""
"7716563","17.1809","0.0005","16.6895","0.0004","16.402","0.0004","90","","102.051","0.001","90","","4599.5","0.2","115","","115","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 N2 Ni O2 S2 -","- C22 H32 N2 Ni O2 S2 -","- C176 H256 N16 Ni8 O16 S16 -","8","2","","Bag, Jayanta; Das, Surajit; Pal, Kuntal","Terminal {Ni(II)-SH} complex promoted anaerobic catalytic sulfur atom transfer reaction: implication to the sulfide oxidase function of Cu/Zn-superoxide dismutase.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12773","12782","10.1039/d4dt01364f","","","1.54178","CuKα","","0.0624","0.0558","","","0.1153","0.1191","","","","","","1.091","","","","has coordinates,has disorder","293858","2024-08-05","19:05:17",""
"7716564","21.803","0.006","21.803","0.006","50.5","0.01","90","","90","","120","","20790","9","273","2","273.15","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C42 H50 N2 Ni2 O2 S2 -","- C42 H50 N2 Ni2 O2 S2 -","- C756 H900 N36 Ni36 O36 S36 -","18","1","","Bag, Jayanta; Das, Surajit; Pal, Kuntal","Terminal {Ni(II)-SH} complex promoted anaerobic catalytic sulfur atom transfer reaction: implication to the sulfide oxidase function of Cu/Zn-superoxide dismutase.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12773","12782","10.1039/d4dt01364f","","","0.71073","MoKα","","0.1187","0.0857","","","0.2122","0.2425","","","","","","1.058","","","","has coordinates,has disorder","293858","2024-08-05","19:05:17",""
"7716565","11.1421","0.0005","11.3002","0.0004","12.3","0.0003","105.975","0.003","90.898","0.003","94.388","0.003","1483.41","0.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H86 Cr2 N2 O20 Tb2 -","- C44 H86 Cr2 N2 O20 Tb2 -","- C44 H86 Cr2 N2 O20 Tb2 -","1","0.5","","Cabrosi, Daiana; Mecchia Ortiz, Juan H.; Carrella, Luca M.; Rentschler, Eva; Alborés, Pablo","SMM features of a large lanthanide family of butterfly CrIII2LnIII2 pivalate complexes (Ln = Gd, Tb, Dy, Ho, Er, Tm and Yb).","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12189","12198","10.1039/d4dt01492h","","","0.71073","MoKα","","0.0457","0.0392","","","0.1055","0.1128","","","","","","1.077","","","","has coordinates,has disorder","293819","2024-08-05","18:46:09",""
"7716566","11.1602","0.0005","11.2588","0.0005","12.2291","0.0005","106.575","0.004","91.167","0.004","93.723","0.004","1468.42","0.11","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H86 Cr2 Er2 N2 O20 -","- C44 H86 Cr2 Er2 N2 O20 -","- C44 H86 Cr2 Er2 N2 O20 -","1","0.5","","Cabrosi, Daiana; Mecchia Ortiz, Juan H.; Carrella, Luca M.; Rentschler, Eva; Alborés, Pablo","SMM features of a large lanthanide family of butterfly CrIII2LnIII2 pivalate complexes (Ln = Gd, Tb, Dy, Ho, Er, Tm and Yb).","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12189","12198","10.1039/d4dt01492h","","","0.71073","MoKα","","0.0503","0.0399","","","0.0934","0.1029","","","","","","1.05","","","","has coordinates,has disorder","293819","2024-08-05","18:46:09",""
"7716567","11.1582","0.0004","11.2288","0.0004","12.2148","0.0004","106.728","0.003","91.108","0.003","93.631","0.003","1461.59","0.09","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H86 Cr2 N2 O20 Tm2 -","- C44 H86 Cr2 N2 O20 Tm2 -","- C44 H86 Cr2 N2 O20 Tm2 -","1","0.5","","Cabrosi, Daiana; Mecchia Ortiz, Juan H.; Carrella, Luca M.; Rentschler, Eva; Alborés, Pablo","SMM features of a large lanthanide family of butterfly CrIII2LnIII2 pivalate complexes (Ln = Gd, Tb, Dy, Ho, Er, Tm and Yb).","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12189","12198","10.1039/d4dt01492h","","","0.71073","MoKα","","0.0416","0.0368","","","0.0975","0.1025","","","","","","1.074","","","","has coordinates,has disorder","293819","2024-08-05","18:46:09",""
"7716568","11.1437","0.0004","11.2605","0.0005","12.2413","0.0005","106.323","0.004","90.948","0.003","94.054","0.003","1469.41","0.11","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H86 Cr2 Ho2 N2 O20 -","- C44 H86 Cr2 Ho2 N2 O20 -","- C44 H86 Cr2 Ho2 N2 O20 -","1","0.5","","Cabrosi, Daiana; Mecchia Ortiz, Juan H.; Carrella, Luca M.; Rentschler, Eva; Alborés, Pablo","SMM features of a large lanthanide family of butterfly CrIII2LnIII2 pivalate complexes (Ln = Gd, Tb, Dy, Ho, Er, Tm and Yb).","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12189","12198","10.1039/d4dt01492h","","","0.71073","MoKα","","0.0452","0.0376","","","0.0919","0.0994","","","","","","1.095","","","","has coordinates,has disorder","293819","2024-08-05","18:46:09",""
"7716569","11.1858","0.0008","11.2445","0.0006","12.2084","0.0006","106.881","0.005","91.234","0.005","93.317","0.005","1465.75","0.15","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H86 Cr2 N2 O20 Yb2 -","- C44 H86 Cr2 N2 O20 Yb2 -","- C44 H86 Cr2 N2 O20 Yb2 -","1","0.5","","Cabrosi, Daiana; Mecchia Ortiz, Juan H.; Carrella, Luca M.; Rentschler, Eva; Alborés, Pablo","SMM features of a large lanthanide family of butterfly CrIII2LnIII2 pivalate complexes (Ln = Gd, Tb, Dy, Ho, Er, Tm and Yb).","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12189","12198","10.1039/d4dt01492h","","","0.71073","MoKα","","0.0516","0.0413","","","0.0983","0.1077","","","","","","1.057","","","","has coordinates,has disorder","293819","2024-08-05","18:46:09",""
"7716570","10.4681","0.0001","15.3341","0.0002","19.6726","0.0002","90","","102.577","0.001","90","","3082.05","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H53 Co N2 P2 -","- C31 H53 Co N2 P2 -","- C124 H212 Co4 N8 P8 -","4","1","","Reyna, Jackson A.; Krishnan, V. Mahesh; Silva Villatoro, Roberto; Arman, Hadi D.; Stoian, Sebastian A.; Tonzetich, Zachary J.","Square-planar imido complexes of cobalt: synthesis, reactivity and computational study.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12128","12137","10.1039/d4dt01483a","","x-ray","1.54184","CuKα","","0.0343","0.0322","","","0.0776","0.0787","","","","","","1.036","","","","has coordinates","293806","2024-08-05","18:41:46",""
"7716571","15.8666","0.0012","13.3021","0.0008","14.67","0.0013","90","","112.54","0.01","90","","2859.7","0.4","100.01","0.16","100.01","0.16","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H47 Co N2 P2 -","- C28 H47 Co N2 P2 -","- C112 H188 Co4 N8 P8 -","4","0.5","","Reyna, Jackson A.; Krishnan, V. Mahesh; Silva Villatoro, Roberto; Arman, Hadi D.; Stoian, Sebastian A.; Tonzetich, Zachary J.","Square-planar imido complexes of cobalt: synthesis, reactivity and computational study.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12128","12137","10.1039/d4dt01483a","","x-ray","1.54184","CuKα","","0.0909","0.0859","","","0.1546","0.1566","","","","","","1.087","","","","has coordinates,has disorder","293806","2024-08-05","18:41:47",""
"7716572","10.4942","0.0003","13.3791","0.0004","20.873","0.0006","90","","99.876","0.003","90","","2887.2","0.15","98","","98","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H48 Co N2 P2 -","- C28 H48 Co N2 P2 -","- C112 H192 Co4 N8 P8 -","4","1","","Reyna, Jackson A.; Krishnan, V. Mahesh; Silva Villatoro, Roberto; Arman, Hadi D.; Stoian, Sebastian A.; Tonzetich, Zachary J.","Square-planar imido complexes of cobalt: synthesis, reactivity and computational study.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12128","12137","10.1039/d4dt01483a","","x-ray","0.71073","MoKα","","0.0622","0.0536","","","0.1107","0.1157","","","","","","1.137","","","","has coordinates","293806","2024-08-05","18:41:47",""
"7716573","8.2605","0.0002","12.72","0.0002","15.152","0.0003","82.99","0.001","87.941","0.002","78.642","0.002","1549.11","0.06","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C31 H54 Co N2 P2 -","- C31 H54 Co N2 P2 -","- C62 H108 Co2 N4 P4 -","2","1","","Reyna, Jackson A.; Krishnan, V. Mahesh; Silva Villatoro, Roberto; Arman, Hadi D.; Stoian, Sebastian A.; Tonzetich, Zachary J.","Square-planar imido complexes of cobalt: synthesis, reactivity and computational study.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12128","12137","10.1039/d4dt01483a","","x-ray","1.54184","CuKα","","0.0367","0.0352","","","0.0887","0.0894","","","","","","1.072","","","","has coordinates","293806","2024-08-05","18:41:47",""
"7716574","19.1588","0.0003","9.9229","0.0001","20.4294","0.0002","90","","93.913","0.001","90","","3874.8","0.08","100.01","0.13","100.01","0.13","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H58 Co N5 P2 -","- C40 H58 Co N5 P2 -","- C160 H232 Co4 N20 P8 -","4","1","","Reyna, Jackson A.; Krishnan, V. Mahesh; Silva Villatoro, Roberto; Arman, Hadi D.; Stoian, Sebastian A.; Tonzetich, Zachary J.","Square-planar imido complexes of cobalt: synthesis, reactivity and computational study.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12128","12137","10.1039/d4dt01483a","","x-ray","1.54184","CuKα","","0.0498","0.0435","","","0.0966","0.0992","","","","","","1.086","","","","has coordinates","293806","2024-08-05","18:41:47",""
"7716575","15.6926","0.0007","15.7264","0.0006","16.0729","0.0008","109.687","0.004","90.185","0.004","117.019","0.004","3268.9","0.3","293","","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H74 Co2 N14 O4 -","- C66 H74 Co2 N14 O4 -","- C132 H148 Co4 N28 O8 -","2","1","","Juráková, Jana; Santana, Vinicius Tadeu; Pavlik, Ján; Moncoľ, Ján; Nemec, Ivan; Clemente-León, Miguel; Kuppusamy, Senthil Kumar; Ruben, Mario; Čižmár, Erik; Šalitroš, Ivan","Magnetic anisotropy and slow relaxation of magnetisation in double salts containing four- and six-coordinate cobalt(II) complex ions.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","12962","12972","10.1039/d4dt01509f","","","1.54184","CuKα","","0.0849","0.0629","","","0.1822","0.2009","","","","","","1.074","","","","has coordinates,has disorder","294565","2024-09-06","00:50:13",""
"7716576","15.3479","0.0004","17.0718","0.0005","17.0508","0.0005","64.451","0.002","89.478","0.002","67.694","0.002","3664.6","0.2","293","","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H90 Co2 N14 O4 -","- C74 H90 Co2 N14 O4 -","- C148 H180 Co4 N28 O8 -","2","1","","Juráková, Jana; Santana, Vinicius Tadeu; Pavlik, Ján; Moncoľ, Ján; Nemec, Ivan; Clemente-León, Miguel; Kuppusamy, Senthil Kumar; Ruben, Mario; Čižmár, Erik; Šalitroš, Ivan","Magnetic anisotropy and slow relaxation of magnetisation in double salts containing four- and six-coordinate cobalt(II) complex ions.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","12962","12972","10.1039/d4dt01509f","","","1.54186","CuKα","","0.1071","0.0636","","","0.148","0.1761","","","","","","1.067","","","","has coordinates,has disorder","294565","2024-09-06","00:50:14",""
"7716577","19.8535","0.0006","27.2121","0.0005","18.7151","0.0004","90","","113.315","0.003","90","","9285.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C94 H128 Co2 N16 O4 -","- C94 H128 Co2 N16 O4 -","- C376 H512 Co8 N64 O16 -","4","1","","Juráková, Jana; Santana, Vinicius Tadeu; Pavlik, Ján; Moncoľ, Ján; Nemec, Ivan; Clemente-León, Miguel; Kuppusamy, Senthil Kumar; Ruben, Mario; Čižmár, Erik; Šalitroš, Ivan","Magnetic anisotropy and slow relaxation of magnetisation in double salts containing four- and six-coordinate cobalt(II) complex ions.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","12962","12972","10.1039/d4dt01509f","","","1.54186","CuKα","","0.1267","0.1086","","","0.2926","0.3057","","","","","","1.052","","","","has coordinates,has disorder","294565","2024-09-06","00:50:14",""
"7716578","13.85829","0.00006","16.47082","0.00007","31.54082","0.00012","78.9901","0.0004","80.0612","0.0003","69.1223","0.0004","6559.89","0.05","99.99","0.14","99.99","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C134 H150.53 Co4 N29 S8 -","- C134 H150.532 Co4 N29 S8 -","- C268 H301.064 Co8 N58 S16 -","2","1","","Juráková, Jana; Santana, Vinicius Tadeu; Pavlik, Ján; Moncoľ, Ján; Nemec, Ivan; Clemente-León, Miguel; Kuppusamy, Senthil Kumar; Ruben, Mario; Čižmár, Erik; Šalitroš, Ivan","Magnetic anisotropy and slow relaxation of magnetisation in double salts containing four- and six-coordinate cobalt(II) complex ions.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","12962","12972","10.1039/d4dt01509f","","","1.54184","CuKα","","0.0417","0.0396","","","0.1086","0.1097","","","","","","1.087","","","","has coordinates,has disorder","294565","2024-09-06","00:50:14",""
"7716579","11.233","0.0014","12.8503","0.0018","25.106","0.003","90","","91.565","0.005","90","","3622.6","0.8","90","1","90","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C83 H92 Fe2 N12 O7 -","- C83 H92 Fe2 N12 O7 -","- C166 H184 Fe4 N24 O14 -","2","0.5","","Trapali, Adelais; Muppal, Mukil; Pandey, Satakshi; Boillot, Marie-Laure; Repain, Vincent; Dappe, Yannick J.; Dayen, Jean-François; Rivière, Eric; Guillot, Régis; Arrio, Marie-Anne; Otero, Edwige; Bellec, Amandine; Mallah, Talal","Investigation of the spin crossover behaviour of a sublimable Fe(II)-qsal complex: from the bulk to a submonolayer on graphene/SiO<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12519","12526","10.1039/d4dt01417k","","","0.71073","MoKα","","0.2623","0.0992","","","0.235","0.3161","","","","","","0.999","","","","has coordinates,has disorder","293862","2024-08-05","19:06:59",""
"7716580","11.513","0.003","13.193","0.003","23.64","0.006","90","","96.376","0.007","90","","3568.5","1.5","200","1","200","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H40 Fe N6 O3 -","- C41 H40 Fe N6 O3 -","- C164 H160 Fe4 N24 O12 -","4","1","","Trapali, Adelais; Muppal, Mukil; Pandey, Satakshi; Boillot, Marie-Laure; Repain, Vincent; Dappe, Yannick J.; Dayen, Jean-François; Rivière, Eric; Guillot, Régis; Arrio, Marie-Anne; Otero, Edwige; Bellec, Amandine; Mallah, Talal","Investigation of the spin crossover behaviour of a sublimable Fe(II)-qsal complex: from the bulk to a submonolayer on graphene/SiO<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12519","12526","10.1039/d4dt01417k","","","0.71073","MoKα","","0.2062","0.0929","","","0.2115","0.268","","","","","","1.016","","","","has coordinates,has disorder","293862","2024-08-05","19:07:00",""
"7716581","12.0862","0.0006","22.2611","0.001","16.9693","0.0008","90","","92.972","0.002","90","","4559.5","0.4","100","2","99.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H48 Cl2 N6 O13 Zn2 -","- C43 H48 Cl2 N6 O13 Zn2 -","- C172 H192 Cl8 N24 O52 Zn8 -","4","1","","Massoud, Salah S.; Mautner, Franz A.; Louka, Febee R.; Salem, Nahed M. H.; Fischer, Roland C.; Torvisco, Ana; Vančo, Ján; Belza, Jan; Dvořák, Zdeněk; Trávníček, Zdeněk","Structurally diverse zinc(II) complexes containing tripodal tetradentate phenoxido-amines with promising antiproliferative effects.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12261","12280","10.1039/d4dt00942h","","x-ray","0.71073","MoKα","","0.0369","0.0302","","","0.0687","0.0724","","","","","","1.072","","","","has coordinates,has disorder","293812","2024-08-05","18:44:25",""
"7716582","11.3641","0.0004","10.1099","0.0004","18.5183","0.0007","90","","90.332","0.002","90","","2127.53","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H38 Cl4 N6 O12 Zn2 -","- C40 H38 Cl4 N6 O12 Zn2 -","- C80 H76 Cl8 N12 O24 Zn4 -","2","0.5","","Massoud, Salah S.; Mautner, Franz A.; Louka, Febee R.; Salem, Nahed M. H.; Fischer, Roland C.; Torvisco, Ana; Vančo, Ján; Belza, Jan; Dvořák, Zdeněk; Trávníček, Zdeněk","Structurally diverse zinc(II) complexes containing tripodal tetradentate phenoxido-amines with promising antiproliferative effects.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12261","12280","10.1039/d4dt00942h","","x-ray","0.71073","MoKα","","0.0504","0.0338","","","0.0793","0.0913","","","","","","1.066","","","","has coordinates","293812","2024-08-05","18:44:25",""
"7716583","13.4367","0.0005","17.5316","0.0006","12.1732","0.0004","90","","95.38","0.002","90","","2854.97","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H48 N2 O4 Zn -","- C29 H48 N2 O4 Zn -","- C116 H192 N8 O16 Zn4 -","4","1","","Massoud, Salah S.; Mautner, Franz A.; Louka, Febee R.; Salem, Nahed M. H.; Fischer, Roland C.; Torvisco, Ana; Vančo, Ján; Belza, Jan; Dvořák, Zdeněk; Trávníček, Zdeněk","Structurally diverse zinc(II) complexes containing tripodal tetradentate phenoxido-amines with promising antiproliferative effects.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12261","12280","10.1039/d4dt00942h","","x-ray","0.71073","MoKα","","0.0484","0.0367","","","0.0899","0.0971","","","","","","1.029","","","","has coordinates","293812","2024-08-05","18:44:25",""
"7716584","9.6545","0.0004","20.8357","0.0011","14.6654","0.0007","90","","107.138","0.002","90","","2819.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H44 N2 O2 Zn -","- C29 H44 N2 O2 Zn -","- C116 H176 N8 O8 Zn4 -","4","1","","Massoud, Salah S.; Mautner, Franz A.; Louka, Febee R.; Salem, Nahed M. H.; Fischer, Roland C.; Torvisco, Ana; Vančo, Ján; Belza, Jan; Dvořák, Zdeněk; Trávníček, Zdeněk","Structurally diverse zinc(II) complexes containing tripodal tetradentate phenoxido-amines with promising antiproliferative effects.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12261","12280","10.1039/d4dt00942h","","x-ray","0.71073","MoKα","","0.0438","0.0354","","","0.0894","0.0967","","","","","","1.052","","","","has coordinates","293812","2024-08-05","18:44:25",""
"7716585","14.3925","0.0011","14.8761","0.0012","28.195","0.002","90","","93.694","0.004","90","","6024.1","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H48 N2 O2 Zn -","- C31 H48 N2 O2 Zn -","- C248 H384 N16 O16 Zn8 -","8","2","","Massoud, Salah S.; Mautner, Franz A.; Louka, Febee R.; Salem, Nahed M. H.; Fischer, Roland C.; Torvisco, Ana; Vančo, Ján; Belza, Jan; Dvořák, Zdeněk; Trávníček, Zdeněk","Structurally diverse zinc(II) complexes containing tripodal tetradentate phenoxido-amines with promising antiproliferative effects.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12261","12280","10.1039/d4dt00942h","","x-ray","0.71073","MoKα","","0.0905","0.0662","","","0.1721","0.1867","","","","","","1.143","","","","has coordinates","293812","2024-08-05","18:44:25",""
"7716586","9.3438","0.0003","21.4161","0.0007","14.6664","0.0004","90","","107.11","0.001","90","","2804.97","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H46 N2 O2 Zn -","- C30 H46 N2 O2 Zn -","- C120 H184 N8 O8 Zn4 -","4","1","","Massoud, Salah S.; Mautner, Franz A.; Louka, Febee R.; Salem, Nahed M. H.; Fischer, Roland C.; Torvisco, Ana; Vančo, Ján; Belza, Jan; Dvořák, Zdeněk; Trávníček, Zdeněk","Structurally diverse zinc(II) complexes containing tripodal tetradentate phenoxido-amines with promising antiproliferative effects.","Dalton transactions (Cambridge, England : 2003)","2024","53","29","12261","12280","10.1039/d4dt00942h","","x-ray","0.71073","MoKα","","0.0392","0.0285","","","0.0743","0.0828","","","","","","1.069","","","","has coordinates","293812","2024-08-05","18:44:25",""
"7716587","9.2677","0.0001","12.2235","0.0001","12.6545","0.0001","98.343","0.001","110.807","0.001","92.992","0.001","1317.51","0.02","104.5","0.9","104.5","0.9","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Cl Co N6 O9 -","- C26 H24 Cl Co N6 O9 -","- C52 H48 Cl2 Co2 N12 O18 -","2","1","","Ismael, Fouad; Fleming, Cassandra L.; Christopher, Timothy D.; Söhnel, Tilo; Zhou, Yuchen; Krenske, Elizabeth H.; Gahan, Lawrence R.; Blackman, Allan G.","Co(III) complexes of the pentadentate NHC ligand PY4Im: carbene-induced <i>trans</i> influences and the non-disappearing <sup>13</sup>C NMR peak.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12688","12697","10.1039/d4dt01579g","","x-ray","1.54184","CuKα","","0.0274","0.0262","","","0.0685","0.0689","","","","","","1.061","","","","has coordinates","293863","2024-08-05","19:07:30",""
"7716588","16.159","0.0003","17.8462","0.0003","13.1978","0.0002","90","","90","","90","","3805.94","0.11","105.4","0.8","105.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C29 H26 Cl3 Co N8 O12 -","- C27 H23 Cl3 Co N7 O12 -","- C108 H92 Cl12 Co4 N28 O48 -","4","0.5","","Ismael, Fouad; Fleming, Cassandra L.; Christopher, Timothy D.; Söhnel, Tilo; Zhou, Yuchen; Krenske, Elizabeth H.; Gahan, Lawrence R.; Blackman, Allan G.","Co(III) complexes of the pentadentate NHC ligand PY4Im: carbene-induced <i>trans</i> influences and the non-disappearing <sup>13</sup>C NMR peak.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12688","12697","10.1039/d4dt01579g","","","1.54184","CuKα","","0.0497","0.0419","","","0.1161","0.1214","","","","","","1.07","","","","has coordinates,has disorder","293863","2024-08-05","19:07:31",""
"7716589","9.0838","0.0002","12.5241","0.0002","13.9453","0.0002","97.658","0.002","108.587","0.002","107.64","0.002","1385.88","0.05","105.5","0.5","105.5","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22.79 Cl1.97 Co N7 O11.4 -","- C25 H22.788 Cl1.964 Co N7 O11.394 -","- C50 H45.576 Cl3.928 Co2 N14 O22.788 -","2","1","","Ismael, Fouad; Fleming, Cassandra L.; Christopher, Timothy D.; Söhnel, Tilo; Zhou, Yuchen; Krenske, Elizabeth H.; Gahan, Lawrence R.; Blackman, Allan G.","Co(III) complexes of the pentadentate NHC ligand PY4Im: carbene-induced <i>trans</i> influences and the non-disappearing <sup>13</sup>C NMR peak.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12688","12697","10.1039/d4dt01579g","","x-ray","1.54184","CuKα","","0.0289","0.0277","","","0.0678","0.0684","","","","","","1.037","","","","has coordinates","293863","2024-08-05","19:07:31",""
"7716590","9.0704","0.0002","12.1819","0.0003","14.3572","0.0003","99.034","0.002","105.917","0.002","107.125","0.002","1408.29","0.06","104","1","104","1","","","","","","","","6","P -1","-P 1","2","","","","- C25 H26.5 Cl2 Co N6 O11.75 -","- C25 H26.5 Cl2 Co N6 O11.75 -","- C50 H53 Cl4 Co2 N12 O23.5 -","2","1","","Ismael, Fouad; Fleming, Cassandra L.; Christopher, Timothy D.; Söhnel, Tilo; Zhou, Yuchen; Krenske, Elizabeth H.; Gahan, Lawrence R.; Blackman, Allan G.","Co(III) complexes of the pentadentate NHC ligand PY4Im: carbene-induced <i>trans</i> influences and the non-disappearing <sup>13</sup>C NMR peak.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12688","12697","10.1039/d4dt01579g","","x-ray","1.54184","CuKα","","0.052","0.0474","","","0.1247","0.1271","","","","","","1.097","","","","has coordinates,has disorder","293863","2024-08-05","19:07:31",""
"7716591","22.5235","0.0003","12.124","0.0001","22.4083","0.0003","90","","116.387","0.002","90","","5481.61","0.15","105","1","105","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H22 Cl2 Co N9 O9 -","- C25 H22 Cl2 Co N9 O9 -","- C200 H176 Cl16 Co8 N72 O72 -","8","1","","Ismael, Fouad; Fleming, Cassandra L.; Christopher, Timothy D.; Söhnel, Tilo; Zhou, Yuchen; Krenske, Elizabeth H.; Gahan, Lawrence R.; Blackman, Allan G.","Co(III) complexes of the pentadentate NHC ligand PY4Im: carbene-induced <i>trans</i> influences and the non-disappearing <sup>13</sup>C NMR peak.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12688","12697","10.1039/d4dt01579g","","x-ray","1.54184","CuKα","","0.0382","0.0375","","","0.104","0.1046","","","","","","1.067","","","","has coordinates","293863","2024-08-05","19:07:31",""
"7716592","12.4803","0.0002","24.2535","0.0004","19.8778","0.0003","90","","104.524","0.002","90","","5824.55","0.17","104","0.9","104","0.9","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26.5 H23.67 Cl1.5 Co N7.5 O7.83 S1.5 -","- C26.5 H23.668 Cl1.5 Co N7.5 O7.834 S1.5 -","- C212 H189.344 Cl12 Co8 N60 O62.672 S12 -","8","1","","Ismael, Fouad; Fleming, Cassandra L.; Christopher, Timothy D.; Söhnel, Tilo; Zhou, Yuchen; Krenske, Elizabeth H.; Gahan, Lawrence R.; Blackman, Allan G.","Co(III) complexes of the pentadentate NHC ligand PY4Im: carbene-induced <i>trans</i> influences and the non-disappearing <sup>13</sup>C NMR peak.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12688","12697","10.1039/d4dt01579g","","x-ray","1.54184","CuKα","","0.0414","0.0399","","","0.1003","0.1014","","","","","","1.069","","","","has coordinates,has disorder","293863","2024-08-05","19:07:31",""
"7716593","13.4885","0.0005","15.3951","0.0005","16.3964","0.0004","89.394","0.002","66.838","0.003","71.033","0.003","2933.37","0.19","120","0.4","120","0.4","","","","","","","","6","P -1","-P 1","2","","","","- C27 H26 Co N15 O S -","- C27 H26 Co N15 O S -","- C108 H104 Co4 N60 O4 S4 -","4","2","","Ismael, Fouad; Fleming, Cassandra L.; Christopher, Timothy D.; Söhnel, Tilo; Zhou, Yuchen; Krenske, Elizabeth H.; Gahan, Lawrence R.; Blackman, Allan G.","Co(III) complexes of the pentadentate NHC ligand PY4Im: carbene-induced <i>trans</i> influences and the non-disappearing <sup>13</sup>C NMR peak.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12688","12697","10.1039/d4dt01579g","","x-ray","1.54184","CuKα","","0.0888","0.0712","","","0.1851","0.1972","","","","","","1.081","","","","has coordinates,has disorder","293863","2024-08-05","19:07:31",""
"7716594","12.795","0.0002","14.1951","0.0002","16.8217","0.0002","105.416","0.0012","98.6806","0.0012","107.235","0.0014","2724.14","0.08","120","1","120","1","","","","","","","","7","P -1","-P 1","2","","","","- C25 H23 Cl2 Co F N6 O9.5 -","- C25 H23 Cl2 Co F N6 O9.5 -","- C100 H92 Cl8 Co4 F4 N24 O38 -","4","2","","Ismael, Fouad; Fleming, Cassandra L.; Christopher, Timothy D.; Söhnel, Tilo; Zhou, Yuchen; Krenske, Elizabeth H.; Gahan, Lawrence R.; Blackman, Allan G.","Co(III) complexes of the pentadentate NHC ligand PY4Im: carbene-induced <i>trans</i> influences and the non-disappearing <sup>13</sup>C NMR peak.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12688","12697","10.1039/d4dt01579g","","x-ray","1.54184","CuKα","","0.0355","0.0342","","","0.0869","0.0876","","","","","","1.033","","","","has coordinates,has disorder","293863","2024-08-05","19:07:31",""
"7716595","19.1436","0.0009","9.0562","0.0003","12.8706","0.0005","90","","93.528","0.004","90","","2227.12","0.15","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C9 H11 N2 Ni O7.5 -","- C9 H11 N2 Ni O7.5 -","- C72 H88 N16 Ni8 O60 -","8","1","","Hu, Songhan; Wang, Kai; Xu, Xinxin; Wang, Qiang","Co-doping regulation on Ni-based electrocatalysts to adjust the selectivity of oxygen reduction reaction for Zn-air batteries and H<sub>2</sub>O<sub>2</sub> production.","Dalton transactions (Cambridge, England : 2003)","2024","53","44","17819","17828","10.1039/d4dt01625d","","","0.71073","MoKα","","0.0263","0.024","","","0.0572","0.0582","","","","","","1.086","","","","has coordinates","296497","2024-12-06","18:13:20",""
"7716596","12.436","0.0004","13.9695","0.0005","14.688","0.0006","86.848","0.003","83.768","0.003","72.693","0.003","2421.05","0.16","150","0.1","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C47 H76 Al I N2 O Si2 -","- C47 H76 Al I N2 O Si2 -","- C94 H152 Al2 I2 N4 O2 Si4 -","2","1","","Kallmeier, Fabian; Matthews, Aidan J. R.; Nelmes, Gareth R.; Lawson, Nina R.; Hicks, Jamie","Mechanochemical synthesis of iron aluminyl complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12450","12454","10.1039/d4dt01774a","","","1.54184","CuKα","","0.0615","0.0535","","","0.143","0.1492","","","","","","1.063","","","","has coordinates,has disorder","293861","2024-08-05","19:06:40",""
"7716597","13.8403","0.0008","18.5282","0.0009","12.567","0.0006","90","","103.509","0.006","90","","3133.5","0.3","150.01","0.1","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H46 Al I N2 O -","- C31 H46 Al I N2 O -","- C124 H184 Al4 I4 N8 O4 -","4","1","","Kallmeier, Fabian; Matthews, Aidan J. R.; Nelmes, Gareth R.; Lawson, Nina R.; Hicks, Jamie","Mechanochemical synthesis of iron aluminyl complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12450","12454","10.1039/d4dt01774a","","","0.71073","MoKα","","0.0785","0.0475","","","0.0892","0.1019","","","","","","1.014","","","","has coordinates,has disorder","293861","2024-08-05","19:06:42",""
"7716598","11.989","0.0002","15.0157","0.0002","16.5211","0.0003","96.128","0.001","97.605","0.001","113.366","0.002","2664.49","0.09","150.01","0.1","150.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C54 H81 Al Fe N2 O3 Si2 -","- C54 H81 Al Fe N2 O3 Si2 -","- C108 H162 Al2 Fe2 N4 O6 Si4 -","2","1","","Kallmeier, Fabian; Matthews, Aidan J. R.; Nelmes, Gareth R.; Lawson, Nina R.; Hicks, Jamie","Mechanochemical synthesis of iron aluminyl complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12450","12454","10.1039/d4dt01774a","","x-ray","1.54184","CuKα","","0.0677","0.0564","","","0.1393","0.1455","","","","","","1.045","","","","has coordinates","293861","2024-08-05","19:06:42",""
"7716599","10.4105","0.0004","11.6341","0.0005","18.7132","0.0007","85.068","0.003","76.654","0.004","71.928","0.004","2096.23","0.16","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C44 H65 Al Fe N2 O3 -","- C44 H65 Al Fe N2 O3 -","- C88 H130 Al2 Fe2 N4 O6 -","2","1","","Kallmeier, Fabian; Matthews, Aidan J. R.; Nelmes, Gareth R.; Lawson, Nina R.; Hicks, Jamie","Mechanochemical synthesis of iron aluminyl complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12450","12454","10.1039/d4dt01774a","","x-ray","1.54184","CuKα","","0.1101","0.0953","","","0.2351","0.2424","","","","","","1.118","","","","has coordinates","293861","2024-08-05","19:06:42",""
"7716600","11.4074","0.0002","17.6989","0.0002","19.0286","0.0002","90","","105.105","0.001","90","","3709.11","0.09","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H54 Al I N2 O -","- C39 H54 Al I N2 O -","- C156 H216 Al4 I4 N8 O4 -","4","1","","Kallmeier, Fabian; Matthews, Aidan J. R.; Nelmes, Gareth R.; Lawson, Nina R.; Hicks, Jamie","Mechanochemical synthesis of iron aluminyl complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12450","12454","10.1039/d4dt01774a","","","1.54184","CuKα","","0.0428","0.0341","","","0.0799","0.084","","","","","","1.059","","","","has coordinates","293861","2024-08-05","19:06:42",""
"7716601","10.7157","0.0001","13.6963","0.0002","18.2912","0.0002","80.755","0.001","77.687","0.001","77.107","0.001","2538.56","0.05","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C58 H71 Al Fe N2 O3 -","- C58 H71 Al Fe N2 O3 -","- C116 H142 Al2 Fe2 N4 O6 -","2","1","","Kallmeier, Fabian; Matthews, Aidan J. R.; Nelmes, Gareth R.; Lawson, Nina R.; Hicks, Jamie","Mechanochemical synthesis of iron aluminyl complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12450","12454","10.1039/d4dt01774a","","","1.54184","CuKα","","0.0403","0.0382","","","0.0994","0.1006","","","","","","1.086","","","","has coordinates,has disorder","293861","2024-08-05","19:06:42",""
"7716602","19.4527","0.0002","19.4412","0.0002","44.6082","0.0006","90","","90","","90","","16870.1","0.3","150","0.1","150.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C92 H110 Al2 Fe2 N4 O4 Si2 -","- C92 H110 Al2 Fe2 N4 O4 Si2 -","- C736 H880 Al16 Fe16 N32 O32 Si16 -","8","1","","Kallmeier, Fabian; Matthews, Aidan J. R.; Nelmes, Gareth R.; Lawson, Nina R.; Hicks, Jamie","Mechanochemical synthesis of iron aluminyl complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12450","12454","10.1039/d4dt01774a","","","1.54184","CuKα","","0.0611","0.0464","","","0.1126","0.1204","","","","","","1.028","","","","has coordinates,has disorder","293861","2024-08-05","19:06:42",""
"7716603","11.1074","0.0001","18.5869","0.0002","23.6162","0.0002","90","","92.65","0.001","90","","4870.4","0.08","150","0.1","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H67 Al Fe N2 O3 -","- C54 H67 Al Fe N2 O3 -","- C216 H268 Al4 Fe4 N8 O12 -","4","1","","Kallmeier, Fabian; Matthews, Aidan J. R.; Nelmes, Gareth R.; Lawson, Nina R.; Hicks, Jamie","Mechanochemical synthesis of iron aluminyl complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12450","12454","10.1039/d4dt01774a","","","1.54184","CuKα","","0.0451","0.0387","","","0.092","0.0949","","","","","","1.041","","","","has coordinates,has disorder","293861","2024-08-05","19:06:42",""
"7716604","24.70547","0.00011","19.02701","0.00008","25.22918","0.00009","90","","94.0477","0.0004","90","","11829.9","0.08","150","0.1","150.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C136 H164 Al2 Fe2 N4 O4 -","- C136 H164 Al2 Fe2 N4 O4 -","- C544 H656 Al8 Fe8 N16 O16 -","4","0.5","","Kallmeier, Fabian; Matthews, Aidan J. R.; Nelmes, Gareth R.; Lawson, Nina R.; Hicks, Jamie","Mechanochemical synthesis of iron aluminyl complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12450","12454","10.1039/d4dt01774a","","","1.54184","CuKα","","0.0461","0.0441","","","0.1187","0.1202","","","","","","1.033","","","","has coordinates,has disorder","293861","2024-08-05","19:06:42",""
"7716605","9.3512","0.0002","30.6297","0.0007","16.8167","0.0005","90","","94.298","0.002","90","","4803.2","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H36 Cl4 Cu4 N4 O4 -","- C52 H36 Cl4 Cu4 N4 O4 -","- C208 H144 Cl16 Cu16 N16 O16 -","4","1","","Jin, Xiaodong; Nguyen, Bao-Nguyen T; Davies, Robert P.","Synthesis and characterisation of copper(I) complexes with relevance to intramolecular Ullmann <i>O</i>,<i>S</i>-arylation.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12554","12559","10.1039/d4dt01418a","","","0.71073","MoKα","","0.057","0.0392","","","0.0757","0.0836","","","","","","1.048","","","","has coordinates,has disorder","293874","2024-08-05","19:10:13",""
"7716606","10.2309","0.0003","13.7555","0.0005","21.4692","0.001","76.317","0.004","81.511","0.003","80.941","0.003","2879.8","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C59.5 H52 Cl4 Cu4 N8 S4 -","- C59.5 H52 Cl4 Cu4 N8 S4 -","- C119 H104 Cl8 Cu8 N16 S8 -","2","1","","Jin, Xiaodong; Nguyen, Bao-Nguyen T; Davies, Robert P.","Synthesis and characterisation of copper(I) complexes with relevance to intramolecular Ullmann <i>O</i>,<i>S</i>-arylation.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12554","12559","10.1039/d4dt01418a","","","1.54184","CuKα","","0.0688","0.0444","","","0.1","0.1137","","","","","","1.021","","","","has coordinates,has disorder","293874","2024-08-05","19:10:13",""
"7716607","10.3465","0.0005","13.9442","0.0004","21.4846","0.001","75.376","0.004","81.788","0.004","81.693","0.003","2949.4","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C59.5 H52 Br4 Cu4 N8 S4 -","- C59.5 H52 Br4 Cu4 N8 S4 -","- C119 H104 Br8 Cu8 N16 S8 -","2","1","","Jin, Xiaodong; Nguyen, Bao-Nguyen T; Davies, Robert P.","Synthesis and characterisation of copper(I) complexes with relevance to intramolecular Ullmann <i>O</i>,<i>S</i>-arylation.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12554","12559","10.1039/d4dt01418a","","","1.54184","CuKα","","0.0665","0.0465","","","0.104","0.1169","","","","","","1.007","","","","has coordinates,has disorder","293874","2024-08-05","19:10:13",""
"7716608","12.5083","0.0003","14.5425","0.0004","18.2347","0.0004","88.84","0.002","80.557","0.002","66.647","0.002","3000.26","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H51 Cl4 Cu4 N4 S4 -","- C62 H51 Cl4 Cu4 N4 S4 -","- C124 H102 Cl8 Cu8 N8 S8 -","2","1","","Jin, Xiaodong; Nguyen, Bao-Nguyen T; Davies, Robert P.","Synthesis and characterisation of copper(I) complexes with relevance to intramolecular Ullmann <i>O</i>,<i>S</i>-arylation.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12554","12559","10.1039/d4dt01418a","","","0.71073","MoKα","","0.0566","0.0377","","","0.078","0.0884","","","","","","1.016","","","","has coordinates,has disorder","293874","2024-08-05","19:10:13",""
"7716609","23.3769","0.0016","7.492","0.0004","7.6506","0.0005","90","","91.574","0.006","90","","1339.42","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Cl N2 S -","- C14 H13 Cl N2 S -","- C56 H52 Cl4 N8 S4 -","4","1","","Jin, Xiaodong; Nguyen, Bao-Nguyen T; Davies, Robert P.","Synthesis and characterisation of copper(I) complexes with relevance to intramolecular Ullmann <i>O</i>,<i>S</i>-arylation.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12554","12559","10.1039/d4dt01418a","","","0.71073","MoKα","","0.0753","0.0572","","","0.1232","0.1347","","","","","","1.124","","","","has coordinates","293874","2024-08-05","19:10:13",""
"7716610","12.754","0.0006","14.5329","0.0006","18.2953","0.0006","88.595","0.003","80.345","0.003","64.848","0.004","3021.9","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C62.5 H48 Br4 Cu4 N4 S4 -","- C62.5 H48 Br4 Cu4 N4 S4 -","- C125 H96 Br8 Cu8 N8 S8 -","2","1","","Jin, Xiaodong; Nguyen, Bao-Nguyen T; Davies, Robert P.","Synthesis and characterisation of copper(I) complexes with relevance to intramolecular Ullmann <i>O</i>,<i>S</i>-arylation.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12554","12559","10.1039/d4dt01418a","","","0.71073","MoKα","","0.062","0.041","","","0.0826","0.0918","","","","","","1.014","","","","has coordinates,has disorder","293874","2024-08-05","19:10:13",""
"7716611","14.264","0.0009","6.1542","0.0003","15.5298","0.001","90","","100.364","0.005","90","","1341.02","0.14","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H34 N4 -","- C34 H34 N4 -","- C68 H68 N8 -","2","1","","Solea, Atena B.; Demirci, Gozde; Harvey, Freya M.; Crochet, Aurelien; Zobi, Fabio; Mamula Steiner, Olimpia","The role of stereochemistry in the anticancer activity of Re(I) tricarbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13743","13755","10.1039/d4dt01643b","","x-ray","1.54186","CuKα","","0.1025","0.0703","","","0.1738","0.2388","","","","","","1.128","","","","has coordinates","294563","2024-09-06","00:47:44",""
"7716612","13.6887","0.0002","15.723","0.0003","20.3145","0.0003","90","","90","","90","","4372.24","0.12","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H36 Cl4 N4 O6 Re2 -","- C40 H34 Cl2 N4 O6 Re2 -","- C160 H136 Cl8 N16 O24 Re8 -","4","1","","Solea, Atena B.; Demirci, Gozde; Harvey, Freya M.; Crochet, Aurelien; Zobi, Fabio; Mamula Steiner, Olimpia","The role of stereochemistry in the anticancer activity of Re(I) tricarbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13743","13755","10.1039/d4dt01643b","","x-ray","1.54186","CuKα","","0.0438","0.0381","","","0.0914","0.0947","","","","","","1.081","","","","has coordinates","294563","2024-09-06","00:47:45",""
"7716613","9.6008","0.0001","16.6361","0.0002","14.2496","0.0001","90","","102.644","0.001","90","","2220.75","0.04","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H38 Cl6 N4 O6 Re2 -","- C40 H34 Cl2 N4 O6 Re2 -","- C80 H68 Cl4 N8 O12 Re4 -","2","1","","Solea, Atena B.; Demirci, Gozde; Harvey, Freya M.; Crochet, Aurelien; Zobi, Fabio; Mamula Steiner, Olimpia","The role of stereochemistry in the anticancer activity of Re(I) tricarbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13743","13755","10.1039/d4dt01643b","","x-ray","1.54186","CuKα","","0.0339","0.0339","","","0.0885","0.0885","","","","","","1.073","","","","has coordinates","294563","2024-09-06","00:47:45",""
"7716614","19.846","0.0003","25.9024","0.0004","8.6357","0.0001","90","","90","","90","","4439.26","0.11","250","","250","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C40 H34 Cl2 N4 O6 Re2 -","- C40 H34 Cl2 N4 O6 Re2 -","- C160 H136 Cl8 N16 O24 Re8 -","4","0.5","","Solea, Atena B.; Demirci, Gozde; Harvey, Freya M.; Crochet, Aurelien; Zobi, Fabio; Mamula Steiner, Olimpia","The role of stereochemistry in the anticancer activity of Re(I) tricarbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13743","13755","10.1039/d4dt01643b","","","0.56083","AgKα","","0.0426","0.0287","","","0.0597","0.0618","","","","","","0.952","","","","has coordinates","294563","2024-09-06","00:47:45",""
"7716615","12.0572","0.0002","14.1674","0.0002","14.488","0.0003","115.332","0.001","94.913","0.001","93.345","0.001","2216.21","0.07","200","2","200","2","","","","","","","","6","P 1","P 1","1","","","","- C85 H82 Cl6 N8 O14 Re4 -","- C80 H68 Cl4 N8 O12 Re4 -","- C80 H68 Cl4 N8 O12 Re4 -","1","1","","Solea, Atena B.; Demirci, Gozde; Harvey, Freya M.; Crochet, Aurelien; Zobi, Fabio; Mamula Steiner, Olimpia","The role of stereochemistry in the anticancer activity of Re(I) tricarbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13743","13755","10.1039/d4dt01643b","","x-ray","1.54186","CuKα","","0.0494","0.0481","","","0.1414","0.1425","","","","","","1.0428","","","","has coordinates","294563","2024-09-06","00:47:45",""
"7716616","19.7136","0.0005","25.7034","0.0007","8.5965","0.0002","90","","90","","90","","4355.9","0.19","200","2","200","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C40 H38 Cl2 N4 O8 Re2 -","- C40 H34 Cl2 N4 O6 Re2 -","- C160 H136 Cl8 N16 O24 Re8 -","4","0.5","","Solea, Atena B.; Demirci, Gozde; Harvey, Freya M.; Crochet, Aurelien; Zobi, Fabio; Mamula Steiner, Olimpia","The role of stereochemistry in the anticancer activity of Re(I) tricarbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13743","13755","10.1039/d4dt01643b","","x-ray","1.54186","CuKα","","0.0336","0.0334","","","0.0903","0.0905","","","","","","1.0708","","","","has coordinates","294563","2024-09-06","00:47:45",""
"7716617","9.62135","0.00021","16.6058","0.0005","14.2479","0.0004","90","","102.679","0.002","90","","2220.88","0.1","250","","250","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H34 Cl2 N4 O6 Re2 -","- C40 H34 Cl2 N4 O6 Re2 -","- C80 H68 Cl4 N8 O12 Re4 -","2","1","","Solea, Atena B.; Demirci, Gozde; Harvey, Freya M.; Crochet, Aurelien; Zobi, Fabio; Mamula Steiner, Olimpia","The role of stereochemistry in the anticancer activity of Re(I) tricarbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13743","13755","10.1039/d4dt01643b","","","0.56083","AgKα","","0.0403","0.0319","","","0.0672","0.0692","","","","","","0.957","","","","has coordinates","294563","2024-09-06","00:47:45",""
"7716618","12.0797","0.0003","14.3295","0.0003","14.5093","0.0003","116.153","0.002","95.311","0.002","91.952","0.002","2236.81","0.1","250","2","250","2","","","","","","","","6","P 1","P 1","1","","","","- C44 H46 Cl2 N4 O8 Re2 -","- C40 H34 Cl2 N4 O6 Re2 -","- C80 H68 Cl4 N8 O12 Re4 -","2","2","","Solea, Atena B.; Demirci, Gozde; Harvey, Freya M.; Crochet, Aurelien; Zobi, Fabio; Mamula Steiner, Olimpia","The role of stereochemistry in the anticancer activity of Re(I) tricarbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13743","13755","10.1039/d4dt01643b","","x-ray","1.54186","CuKα","","0.0697","0.0666","","","0.1903","0.1954","","","","","","1.077","","","","has coordinates","294563","2024-09-06","00:47:45",""
"7716619","13.8365","0.0002","16.5716","0.0004","17.2135","0.0003","90","","90","","90","","3946.93","0.13","250","2","250","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H34 Cl2 N4 O6 Re2 -","- C40 H34 Cl2 N4 O6 Re2 -","- C160 H136 Cl8 N16 O24 Re8 -","4","1","","Solea, Atena B.; Demirci, Gozde; Harvey, Freya M.; Crochet, Aurelien; Zobi, Fabio; Mamula Steiner, Olimpia","The role of stereochemistry in the anticancer activity of Re(I) tricarbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13743","13755","10.1039/d4dt01643b","","x-ray","0.56083","AgKα","","0.0491","0.0351","","","0.071","0.0741","","","","","","1.0282","","","","has coordinates,has disorder","294563","2024-09-06","00:47:45",""
"7716620","22.8465","0.0015","45.601","0.003","12.9362","0.0008","90","","90","","90","","13477.2","1.5","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C25 H27 Cu F12 N4 O6.5 -","- C25 H27 Cu F12 N4 O6.5 -","- C400 H432 Cu16 F192 N64 O104 -","16","1","","Smirnova, Kristina A.; Golomolzina, Irina V.; Romanenko, Galina V.; Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Letyagin, Gleb A.; Chernavin, Platon A.; Bogomyakov, Artem S.","Solvent-controlled solid-state phase transitions of a heterospin Cu(II) complex with imidazolyl-substituted nitronyl nitroxide.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13119","13128","10.1039/d4dt01861c","","","1.54178","CuKα","","0.0901","0.0743","","","0.1958","0.21","","","","","","1.006","","","","has coordinates,has disorder","294575","2024-09-06","00:54:26",""
"7716621","12.4968","0.0004","21.3202","0.0006","13.1871","0.0003","90","","116.599","0.0017","90","","3141.65","0.16","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 Cu F12 N4 O6 -","- C23 H23 Cu F12 N4 O6 -","- C92 H92 Cu4 F48 N16 O24 -","4","1","","Smirnova, Kristina A.; Golomolzina, Irina V.; Romanenko, Galina V.; Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Letyagin, Gleb A.; Chernavin, Platon A.; Bogomyakov, Artem S.","Solvent-controlled solid-state phase transitions of a heterospin Cu(II) complex with imidazolyl-substituted nitronyl nitroxide.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13119","13128","10.1039/d4dt01861c","","","1.54178","CuKα","","0.0737","0.0429","","","0.1067","0.1197","","","","","","0.859","","","","has coordinates,has disorder","294575","2024-09-06","00:54:26",""
"7716622","11.3929","0.0003","17.156","0.0005","15.831","0.0004","90","","90.643","0.002","90","","3094.08","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 Cu F12 N4 O6 -","- C23 H23 Cu F12 N4 O6 -","- C92 H92 Cu4 F48 N16 O24 -","4","1","","Smirnova, Kristina A.; Golomolzina, Irina V.; Romanenko, Galina V.; Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Letyagin, Gleb A.; Chernavin, Platon A.; Bogomyakov, Artem S.","Solvent-controlled solid-state phase transitions of a heterospin Cu(II) complex with imidazolyl-substituted nitronyl nitroxide.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13119","13128","10.1039/d4dt01861c","","","0.71073","MoKα","","0.1615","0.0518","","","0.0885","0.1155","","","","","","0.964","","","","has coordinates,has disorder","294575","2024-09-06","00:54:26",""
"7716623","22.9206","0.001","45.728","0.002","12.1832","0.0006","90","","90","","90","","12769.4","1","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C25 H27 Cu F12 N4 O6.5 -","- C25 H27 Cu F12 N4 O6.5 -","- C400 H432 Cu16 F192 N64 O104 -","16","1","","Smirnova, Kristina A.; Golomolzina, Irina V.; Romanenko, Galina V.; Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Letyagin, Gleb A.; Chernavin, Platon A.; Bogomyakov, Artem S.","Solvent-controlled solid-state phase transitions of a heterospin Cu(II) complex with imidazolyl-substituted nitronyl nitroxide.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13119","13128","10.1039/d4dt01861c","","","0.71073","MoKα","","0.1877","0.0585","","","0.0804","0.1057","","","","","","0.973","","","","has coordinates,has disorder","294575","2024-09-06","00:54:26",""
"7716624","22.625","0.004","45.441","0.007","12.789","0.002","90","","90","","90","","13148","4","200","2","200","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C25 H27 Cu F12 N4 O6.5 -","- C25 H27 Cu F12 N4 O6.5 -","- C400 H432 Cu16 F192 N64 O104 -","16","1","","Smirnova, Kristina A.; Golomolzina, Irina V.; Romanenko, Galina V.; Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Letyagin, Gleb A.; Chernavin, Platon A.; Bogomyakov, Artem S.","Solvent-controlled solid-state phase transitions of a heterospin Cu(II) complex with imidazolyl-substituted nitronyl nitroxide.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13119","13128","10.1039/d4dt01861c","","","0.71073","MoKα","","0.1579","0.0582","","","0.1066","0.1395","","","","","","0.945","","","","has coordinates,has disorder","294575","2024-09-06","00:54:26",""
"7716625","22.5627","0.0015","45.487","0.003","12.7439","0.0008","90","","90","","90","","13079.2","1.5","200","2","200","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C24.5 H26 Cu F12 N4 O6.5 -","- C24.5 H26 Cu F12 N4 O6.5 -","- C392 H416 Cu16 F192 N64 O104 -","16","1","","Smirnova, Kristina A.; Golomolzina, Irina V.; Romanenko, Galina V.; Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Letyagin, Gleb A.; Chernavin, Platon A.; Bogomyakov, Artem S.","Solvent-controlled solid-state phase transitions of a heterospin Cu(II) complex with imidazolyl-substituted nitronyl nitroxide.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13119","13128","10.1039/d4dt01861c","","","0.71073","MoKα","","0.0888","0.0411","","","0.0825","0.0914","","","","","","0.902","","","","has coordinates,has disorder","294575","2024-09-06","00:54:26",""
"7716626","22.7207","0.0004","45.4461","0.0007","12.8963","0.0002","90","","90","","90","","13316.3","0.4","296","2","296","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C23.5 H24 Cl Cu F12 N4 O6 -","- C23.5 H24 Cl Cu F12 N4 O6 -","- C376 H384 Cl16 Cu16 F192 N64 O96 -","16","1","","Smirnova, Kristina A.; Golomolzina, Irina V.; Romanenko, Galina V.; Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Letyagin, Gleb A.; Chernavin, Platon A.; Bogomyakov, Artem S.","Solvent-controlled solid-state phase transitions of a heterospin Cu(II) complex with imidazolyl-substituted nitronyl nitroxide.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13119","13128","10.1039/d4dt01861c","","","1.54178","CuKα","","0.0398","0.0384","","","0.1052","0.1073","","","","","","1.065","","","","has coordinates,has disorder","294575","2024-09-06","00:54:26",""
"7716627","22.7627","0.0007","45.5849","0.0012","12.9118","0.0004","90","","90","","90","","13397.7","0.7","296","2","296","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C23.5 H24 Br Cu F12 N4 O6 -","- C23.5 H24 Br Cu F12 N4 O6 -","- C376 H384 Br16 Cu16 F192 N64 O96 -","16","1","","Smirnova, Kristina A.; Golomolzina, Irina V.; Romanenko, Galina V.; Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Letyagin, Gleb A.; Chernavin, Platon A.; Bogomyakov, Artem S.","Solvent-controlled solid-state phase transitions of a heterospin Cu(II) complex with imidazolyl-substituted nitronyl nitroxide.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13119","13128","10.1039/d4dt01861c","","","0.71073","MoKα","","0.1288","0.0487","","","0.1079","0.1226","","","","","","0.822","","","","has coordinates,has disorder","294575","2024-09-06","00:54:26",""
"7716628","12.623","0.0006","45.631","0.002","33.8261","0.0016","90","","100.59","0.003","90","","19152","1.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24.5 H26 Cu F12 N4 O6.5 -","- C24.5 H26 Cu F12 N4 O6.5 -","- C588 H624 Cu24 F288 N96 O156 -","24","6","","Smirnova, Kristina A.; Golomolzina, Irina V.; Romanenko, Galina V.; Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Letyagin, Gleb A.; Chernavin, Platon A.; Bogomyakov, Artem S.","Solvent-controlled solid-state phase transitions of a heterospin Cu(II) complex with imidazolyl-substituted nitronyl nitroxide.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13119","13128","10.1039/d4dt01861c","","","0.71073","MoKα","","0.121","0.0582","","","0.1044","0.1208","","","","","","0.883","","","","has coordinates,has disorder","294575","2024-09-06","00:54:26",""
"7716629","22.8425","0.0009","45.5319","0.0016","12.9843","0.0005","90","","90","","90","","13504.5","0.9","250","2","250","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C23.5 H23 Cl1.5 Cu F12 N4 O6 -","- C23.5 H23.5 Cl1.5 Cu F12 N4 O6 -","- C376 H376 Cl24 Cu16 F192 N64 O96 -","16","1","","Smirnova, Kristina A.; Golomolzina, Irina V.; Romanenko, Galina V.; Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Letyagin, Gleb A.; Chernavin, Platon A.; Bogomyakov, Artem S.","Solvent-controlled solid-state phase transitions of a heterospin Cu(II) complex with imidazolyl-substituted nitronyl nitroxide.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13119","13128","10.1039/d4dt01861c","","","0.71073","MoKα","","0.1127","0.0419","","","0.0833","0.0989","","","","","","0.777","","","","has coordinates,has disorder","294575","2024-09-06","00:54:26",""
"7716630","22.709","0.003","45.424","0.006","12.9488","0.0016","90","","90","","90","","13357","3","250","2","250","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C23.5 H23 Cl1.5 Cu F12 N4 O6 -","- C23.5 H23.5 Cl1.5 Cu F12 N4 O6 -","- C376 H376 Cl24 Cu16 F192 N64 O96 -","16","1","","Smirnova, Kristina A.; Golomolzina, Irina V.; Romanenko, Galina V.; Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Letyagin, Gleb A.; Chernavin, Platon A.; Bogomyakov, Artem S.","Solvent-controlled solid-state phase transitions of a heterospin Cu(II) complex with imidazolyl-substituted nitronyl nitroxide.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13119","13128","10.1039/d4dt01861c","","","0.71073","MoKα","","0.1265","0.0427","","","0.0773","0.0936","","","","","","0.794","","","","has coordinates,has disorder","294575","2024-09-06","00:54:26",""
"7716631","22.802","0.002","45.614","0.004","12.88","0.001","90","","90","","90","","13396","2","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C98 H104 Cu4 F48 N16 O26 -","- C98 H104 Cu4 F48 N16 O26 -","- C392 H416 Cu16 F192 N64 O104 -","4","0.25","","Smirnova, Kristina A.; Golomolzina, Irina V.; Romanenko, Galina V.; Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Letyagin, Gleb A.; Chernavin, Platon A.; Bogomyakov, Artem S.","Solvent-controlled solid-state phase transitions of a heterospin Cu(II) complex with imidazolyl-substituted nitronyl nitroxide.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13119","13128","10.1039/d4dt01861c","","","0.71073","MoKα","","0.1386","0.0355","","","0.0449","0.0554","","","","","","0.753","","","","has coordinates,has disorder","294575","2024-09-06","00:54:26",""
"7716632","22.6386","0.0006","45.1154","0.0013","12.6581","0.0003","90","","90","","90","","12928.3","0.6","100","2","100","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C23.5 H23.5 Cl1.5 Cu F12 N4 O6 -","- C23.5 H23.5 Cl1.5 Cu F12 N4 O6 -","- C376 H376 Cl24 Cu16 F192 N64 O96 -","16","1","","Smirnova, Kristina A.; Golomolzina, Irina V.; Romanenko, Galina V.; Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Letyagin, Gleb A.; Chernavin, Platon A.; Bogomyakov, Artem S.","Solvent-controlled solid-state phase transitions of a heterospin Cu(II) complex with imidazolyl-substituted nitronyl nitroxide.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13119","13128","10.1039/d4dt01861c","","","0.71073","MoKα","","0.1317","0.0537","","","0.1117","0.1348","","","","","","0.873","","","","has coordinates,has disorder","294575","2024-09-06","00:54:26",""
"7716633","17.6582","0.0001","23.6916","0.0002","18.1535","0.0001","90","","90","","90","","7594.54","0.09","100","0.3","100.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C91 H110 N6 Yb3 -","- C91 H110 N6 Yb3 -","- C364 H440 N24 Yb12 -","4","0.5","","Temple, Siobhan R.; Tang, Jinkui; Tizzard, Graham J.; Mansikkamäki, Akseli; Layfield, Richard A.","Reduction of hexaazatrinaphthylenes by divalent lanthanocenes leads to ligand-based multiconfigurational properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12460","12464","10.1039/d4dt01835d","","","1.54184","CuKα","","0.0521","0.0465","","","0.1141","0.1166","","","","","","1.225","","","","has coordinates,has disorder","293859","2024-08-05","19:05:42",""
"7716634","17.9992","0.0002","23.85","0.0002","18.1211","0.0002","90","","90","","90","","7779.04","0.14","100","0.1","100","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C91 H110 N6 Sm3 -","- C91 H110 N6 Sm3 -","- C364 H440 N24 Sm12 -","4","0.5","","Temple, Siobhan R.; Tang, Jinkui; Tizzard, Graham J.; Mansikkamäki, Akseli; Layfield, Richard A.","Reduction of hexaazatrinaphthylenes by divalent lanthanocenes leads to ligand-based multiconfigurational properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12460","12464","10.1039/d4dt01835d","","","1.54184","CuKα","","0.0588","0.0546","","","0.1501","0.1569","","","","","","1.07","","","","has coordinates,has disorder","293859","2024-08-05","19:05:43",""
"7716635","29.9712","0.0005","17.2882","0.0003","17.974","0.0003","90","","93.57","0.002","90","","9295.1","0.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C105 H129 N6 Sm3 -","- C105 H129 N6 Sm3 -","- C420 H516 N24 Sm12 -","4","1","","Temple, Siobhan R.; Tang, Jinkui; Tizzard, Graham J.; Mansikkamäki, Akseli; Layfield, Richard A.","Reduction of hexaazatrinaphthylenes by divalent lanthanocenes leads to ligand-based multiconfigurational properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12460","12464","10.1039/d4dt01835d","","","0.71073","MoKα","","0.0686","0.0661","","","0.164","0.1666","","","","","","1.081","","","","has coordinates","293859","2024-08-05","19:05:43",""
"7716636","17.0853","0.0001","17.1129","0.0001","34.9475","0.0003","89.48","0.001","82.341","0.001","60.059","0.001","8755.59","0.14","100","0.1","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C102 H126 N6 Yb3 -","- C102 H126 N6 Yb3 -","- C408 H504 N24 Yb12 -","4","2","","Temple, Siobhan R.; Tang, Jinkui; Tizzard, Graham J.; Mansikkamäki, Akseli; Layfield, Richard A.","Reduction of hexaazatrinaphthylenes by divalent lanthanocenes leads to ligand-based multiconfigurational properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12460","12464","10.1039/d4dt01835d","","","1.54184","CuKα","","0.058","0.0559","","","0.1428","0.1444","","","","","","1.06","","","","has coordinates,has disorder","293859","2024-08-05","19:05:43",""
"7716637","11.981","0.009","12.24","0.009","14.091","0.011","101.102","0.009","98.93","0.01","108.668","0.009","1868","2","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C52 H48 Co2 N12 O42 Si W12 -","- C52 H48 Co2 N12 O42 Si W12 -","- C52 H48 Co2 N12 O42 Si W12 -","1","0.5","","Chen, Xin-Lian; Wu, Jie; Wang, Ji-Lei; Liu, Xiao-Mei; Mei, Hua; Xu, Yan","Dual-nodes bridged cobalt-modified Keggin-type polyoxometalate-based chains for highly efficient CO<sub>2</sub> photoconversion.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","12943","12950","10.1039/d4dt01757a","","","0.71073","MoKα","","0.0827","0.0729","","","0.1748","0.1788","","","","","","1.202","","","","has coordinates","294580","2024-09-06","00:56:18",""
"7716638","11.9589","0.0016","12.1998","0.0016","14.0482","0.0019","101.336","0.002","98.179","0.002","108.916","0.002","1853.6","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H48 N12 Ni2 O42 Si W12 -","- C52 H48 N12 Ni2 O42 Si W12 -","- C52 H48 N12 Ni2 O42 Si W12 -","1","0.5","","Chen, Xin-Lian; Wu, Jie; Wang, Ji-Lei; Liu, Xiao-Mei; Mei, Hua; Xu, Yan","Dual-nodes bridged cobalt-modified Keggin-type polyoxometalate-based chains for highly efficient CO<sub>2</sub> photoconversion.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","12943","12950","10.1039/d4dt01757a","","","0.71073","MoKα","","0.0778","0.0687","","","0.1956","0.1998","","","","","","1.171","","","","has coordinates","294580","2024-09-06","00:56:19",""
"7716639","11.974","0.008","12.38","0.008","14.074","0.009","101.321","0.008","98.243","0.008","108.981","0.007","1886","2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H48 Mn2 N12 O42 Si W12 -","- C52 H48 Mn2 N12 O42 Si W12 -","- C52 H48 Mn2 N12 O42 Si W12 -","1","0.5","","Chen, Xin-Lian; Wu, Jie; Wang, Ji-Lei; Liu, Xiao-Mei; Mei, Hua; Xu, Yan","Dual-nodes bridged cobalt-modified Keggin-type polyoxometalate-based chains for highly efficient CO<sub>2</sub> photoconversion.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","12943","12950","10.1039/d4dt01757a","","","0.71073","MoKα","","0.0687","0.0648","","","0.1541","0.1559","","","","","","1.181","","","","has coordinates","294580","2024-09-06","00:56:19",""
"7716640","8.6985","0.001","14.5755","0.0016","20.098","0.002","109.334","0.007","97.626","0.008","91.299","0.007","2377.1","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44.15 N4 Ni O2.08 -","- C36 H44.1547 N4 Ni O2.07733 -","- C108 H132.464 N12 Ni3 O6.232 -","3","1.5","","Chaudhri, Nivedita; Guberman-Pfeffer, Matthew J; Zeller, Matthias; Brückner, Christian","Oxochlorin frameworks confining a β-hydroxyketone moiety.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13142","13150","10.1039/d4dt01386g","","","1.54178","CuKα","","0.1344","0.0732","","","0.1853","0.2363","","","","","","1.009","","","","has coordinates,has disorder","294568","2024-09-06","00:50:57",""
"7716641","9.9024","0.0009","14.829","0.0014","17.1682","0.0017","77.175","0.004","74.867","0.004","87.062","0.004","2372.8","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H46 N4 O3 -","- C36 H46 N4 O3 -","- C108 H138 N12 O9 -","3","1.5","","Chaudhri, Nivedita; Guberman-Pfeffer, Matthew J; Zeller, Matthias; Brückner, Christian","Oxochlorin frameworks confining a β-hydroxyketone moiety.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13142","13150","10.1039/d4dt01386g","","","1.54178","CuKα","","0.0557","0.0473","","","0.1354","0.1431","","","","","","1.073","","","","has coordinates,has disorder","294568","2024-09-06","00:50:58",""
"7716642","7.99026","0.00004","19.21028","0.00011","11.91822","0.00006","90","","100.892","0.0005","90","","1796.43","0.017","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 Cl F4 N2 Ni -","- C20 H13 Cl F4 N2 Ni -","- C80 H52 Cl4 F16 N8 Ni4 -","4","1","","Pankov, Roman O.; Tarabrin, Ignatii R.; Son, Alexandra G.; Minyaev, Mikhail E.; Prima, Darya O.; Ananikov, Valentine P.","Synthesis and comparative study of (NHC<sub>F</sub>)PdCl<sub>2</sub>Py and (NHC<sub>F</sub>)Ni(Cp)Cl complexes: investigation of the electronic properties of NHC ligands and complex characteristics.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12503","12518","10.1039/d4dt01304b","","x-ray","1.54184","CuKα","","0.0277","0.0274","","","0.0666","0.0668","","","","","","1.104","","","","has coordinates","293869","2024-08-05","19:08:50",""
"7716643","10.8225","0.00006","7.90636","0.00004","20.14341","0.00012","90","","95.3896","0.0005","90","","1715.98","0.017","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Cl F2 N2 Ni -","- C20 H15 Cl F2 N2 Ni -","- C80 H60 Cl4 F8 N8 Ni4 -","4","1","","Pankov, Roman O.; Tarabrin, Ignatii R.; Son, Alexandra G.; Minyaev, Mikhail E.; Prima, Darya O.; Ananikov, Valentine P.","Synthesis and comparative study of (NHC<sub>F</sub>)PdCl<sub>2</sub>Py and (NHC<sub>F</sub>)Ni(Cp)Cl complexes: investigation of the electronic properties of NHC ligands and complex characteristics.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12503","12518","10.1039/d4dt01304b","","x-ray","1.54184","CuKα","","0.0265","0.0263","","","0.0648","0.065","","","","","","1.072","","","","has coordinates","293869","2024-08-05","19:08:51",""
"7716644","7.9548","0.00007","17.60556","0.00013","13.33453","0.0001","90","","106.804","0.0009","90","","1787.74","0.03","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 Cl F4 N2 Ni -","- C20 H13 Cl F4 N2 Ni -","- C80 H52 Cl4 F16 N8 Ni4 -","4","1","","Pankov, Roman O.; Tarabrin, Ignatii R.; Son, Alexandra G.; Minyaev, Mikhail E.; Prima, Darya O.; Ananikov, Valentine P.","Synthesis and comparative study of (NHC<sub>F</sub>)PdCl<sub>2</sub>Py and (NHC<sub>F</sub>)Ni(Cp)Cl complexes: investigation of the electronic properties of NHC ligands and complex characteristics.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12503","12518","10.1039/d4dt01304b","","x-ray","1.54184","CuKα","","0.0246","0.0241","","","0.0653","0.0657","","","","","","1.059","","","","has coordinates","293869","2024-08-05","19:08:51",""
"7716645","10.87858","0.00006","10.65567","0.00005","15.4197","0.00008","90","","92.6788","0.0005","90","","1785.48","0.016","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 Cl F4 N2 Ni -","- C20 H13 Cl F4 N2 Ni -","- C80 H52 Cl4 F16 N8 Ni4 -","4","1","","Pankov, Roman O.; Tarabrin, Ignatii R.; Son, Alexandra G.; Minyaev, Mikhail E.; Prima, Darya O.; Ananikov, Valentine P.","Synthesis and comparative study of (NHC<sub>F</sub>)PdCl<sub>2</sub>Py and (NHC<sub>F</sub>)Ni(Cp)Cl complexes: investigation of the electronic properties of NHC ligands and complex characteristics.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12503","12518","10.1039/d4dt01304b","","x-ray","1.54184","CuKα","","0.0279","0.0277","","","0.0676","0.0677","","","","","","1.1","","","","has coordinates,has disorder","293869","2024-08-05","19:08:51",""
"7716646","10.34845","0.00005","17.63964","0.00007","10.81434","0.00006","90","","108.932","0.0005","90","","1867.3","0.017","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H11 Cl F6 N2 Ni -","- C20 H11 Cl F6 N2 Ni -","- C80 H44 Cl4 F24 N8 Ni4 -","4","1","","Pankov, Roman O.; Tarabrin, Ignatii R.; Son, Alexandra G.; Minyaev, Mikhail E.; Prima, Darya O.; Ananikov, Valentine P.","Synthesis and comparative study of (NHC<sub>F</sub>)PdCl<sub>2</sub>Py and (NHC<sub>F</sub>)Ni(Cp)Cl complexes: investigation of the electronic properties of NHC ligands and complex characteristics.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12503","12518","10.1039/d4dt01304b","","x-ray","1.54184","CuKα","","0.0248","0.0246","","","0.0622","0.0623","","","","","","1.098","","","","has coordinates","293869","2024-08-05","19:08:51",""
"7716647","3.68882","0.00007","11.4296","0.0002","20.047","0.0003","88.7087","0.0014","84.9983","0.0014","82.4843","0.0017","834.71","0.03","100","0.11","100","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C20 H11 F4 N3 O2 Pd -","- C20 H11 F4 N3 O2 Pd -","- C40 H22 F8 N6 O4 Pd2 -","2","1","","Pankov, Roman O.; Tarabrin, Ignatii R.; Son, Alexandra G.; Minyaev, Mikhail E.; Prima, Darya O.; Ananikov, Valentine P.","Synthesis and comparative study of (NHC<sub>F</sub>)PdCl<sub>2</sub>Py and (NHC<sub>F</sub>)Ni(Cp)Cl complexes: investigation of the electronic properties of NHC ligands and complex characteristics.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12503","12518","10.1039/d4dt01304b","","x-ray","1.54184","CuKα","","0.0341","0.0312","","","0.0743","0.0754","","","","","","1.094","","","","has coordinates","293869","2024-08-05","19:08:51",""
"7716648","8.53819","0.00006","18.09252","0.00012","12.1392","0.00008","90","","105.556","0.0007","90","","1806.54","0.02","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl F2 N2 Ni O0.5 -","- C20 H16.002 Cl F2 N2 Ni O0.501 -","- C80 H64.008 Cl4 F8 N8 Ni4 O2.004 -","4","1","","Pankov, Roman O.; Tarabrin, Ignatii R.; Son, Alexandra G.; Minyaev, Mikhail E.; Prima, Darya O.; Ananikov, Valentine P.","Synthesis and comparative study of (NHC<sub>F</sub>)PdCl<sub>2</sub>Py and (NHC<sub>F</sub>)Ni(Cp)Cl complexes: investigation of the electronic properties of NHC ligands and complex characteristics.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12503","12518","10.1039/d4dt01304b","","x-ray","1.54184","CuKα","","0.0326","0.0319","","","0.0845","0.0851","","","","","","1.053","","","","has coordinates,has disorder","293869","2024-08-05","19:08:51",""
"7716649","11.6383","0.0004","16.6621","0.0006","18.2109","0.0006","76.207","0.003","72.362","0.002","88.591","0.003","3264","0.2","180","","180","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H51.5 Dy3 N11.5 O14 -","- C68 H51.5 Dy3 N11.5 O14 -","- C136 H103 Dy6 N23 O28 -","2","1","","Batista, Lester; Paul, Sagar; Molina-Jirón, Concepción; Jaén, Juan A; Fensker, Dieter; Fuhr, Olaf; Ruben, Mario; Wernsdorfer, Wolfgang; Moreno-Pineda, Eufemio","Magnetic behaviour of a spin-canted asymmetric lanthanide quinolate trimer.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","12927","12935","10.1039/d4dt01588f","","x-ray","0.71073","MoKα","","0.0423","0.0275","","","0.0477","0.0487","","","","","","0.854","","","","has coordinates","294572","2024-09-06","00:52:48",""
"7716650","10.7829","0.0003","21.9025","0.0005","22.2389","0.0005","90","","99.678","0.003","90","","5177.5","0.2","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H74.41 N6 Ni O6.2 -","- C56 H74.41 N6 Ni O6.205 -","- C224 H297.64 N24 Ni4 O24.82 -","4","1","","Assadawi, Nawal; Ferderer, Myles; Kusi-Appauh, Nicholas; Yu, Haibo; Dillon, Carolyn T.; Sluyter, Ronald; Richardson, Christopher; Ralph, Stephen F.","Effect of substituents on the ability of nickel Schiff base complexes with four pendant groups to bind to G-quadruplexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12720","12739","10.1039/d4dt00448e","","x-ray","0.71073","MoKα","","0.1032","0.0639","","","0.148","0.1661","","","","","","1.025","","","","has coordinates,has disorder","293871","2024-08-05","19:09:25",""
"7716651","9.7651","0.0002","14.6637","0.0003","16.8916","0.0003","78.206","0.001","83.179","0.001","89.109","0.002","2350.83","0.08","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","N,N-Bis-(4,6-((1-(2-ethyl)morpholine)oxy)salicylidine)-1,2-propylenediaminenickel(II)","","- C41 H72 N6 Ni O16.15 -","- C41 H72 N6 Ni O16.15 -","- C82 H144 N12 Ni2 O32.3 -","2","1","","Assadawi, Nawal; Ferderer, Myles; Kusi-Appauh, Nicholas; Yu, Haibo; Dillon, Carolyn T.; Sluyter, Ronald; Richardson, Christopher; Ralph, Stephen F.","Effect of substituents on the ability of nickel Schiff base complexes with four pendant groups to bind to G-quadruplexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12720","12739","10.1039/d4dt00448e","","x-ray","0.71073","MoKα","","0.0469","0.0385","","","0.1051","0.1109","","","","","","1.035","","","","has coordinates,has disorder","293871","2024-08-05","19:09:25",""
"7716652","16.6655","0.0012","9.435","0.0007","21.8947","0.0015","90","","107.038","0.002","90","","3291.6","0.4","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","euphox","","- C28 H32 Eu N3 O12 S2 -","- C28 H32 Eu N3 O12 S2 -","- C112 H128 Eu4 N12 O48 S8 -","4","1","","da Silveira, Cleverton O. C.; Oliveira, Willian X. C.; da Silva Júnior, Eufrânio N; Alvarenga, Meiry E.; Martins, Felipe T.; Gatto, Claudia C.; Pinheiro, Carlos B.; Pedroso, Emerson F.; Silva, Júlia P O; Marques, Lippy F.; Santos, Moliria V.; Torres, Francisco R.; Euclides, Rividy; Freire, Ricardo O.; Nunes, Wallace C.; de Almeida, Adriele A.; Knobel, Marcelo; Pereira, Cynthia L. M.","Photoluminescence and magnetic properties of isostructural europium(III), gadolinium(III) and terbium(III) oxamate-based coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","14995","15009","10.1039/d4dt01290a","","x-ray","0.71073","MoKα","","0.1182","0.056","","","0.1156","0.1502","","","","","","0.986","","","","has coordinates","295251","2024-10-06","08:00:52",""
"7716653","16.6449","0.0002","9.4198","0.0001","21.9157","0.0002","90","","107.111","0.001","90","","3284.1","0.06","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 Gd N3 O12 S2 -","- C28 H32 Gd N3 O12 S2 -","- C112 H128 Gd4 N12 O48 S8 -","4","1","","da Silveira, Cleverton O. C.; Oliveira, Willian X. C.; da Silva Júnior, Eufrânio N; Alvarenga, Meiry E.; Martins, Felipe T.; Gatto, Claudia C.; Pinheiro, Carlos B.; Pedroso, Emerson F.; Silva, Júlia P O; Marques, Lippy F.; Santos, Moliria V.; Torres, Francisco R.; Euclides, Rividy; Freire, Ricardo O.; Nunes, Wallace C.; de Almeida, Adriele A.; Knobel, Marcelo; Pereira, Cynthia L. M.","Photoluminescence and magnetic properties of isostructural europium(III), gadolinium(III) and terbium(III) oxamate-based coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","14995","15009","10.1039/d4dt01290a","","","1.54184","CuKα","","0.0348","0.0325","","","0.0791","0.0805","","","","","","1.035","","","","has coordinates","295251","2024-10-06","08:00:54",""
"7716654","16.662","0.0009","9.4363","0.0005","21.8972","0.0013","90","","107.014","0.002","90","","3292.2","0.3","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 N3 O12 S2 Tb -","- C28 H32 N3 O12 S2 Tb -","- C112 H128 N12 O48 S8 Tb4 -","4","1","","da Silveira, Cleverton O. C.; Oliveira, Willian X. C.; da Silva Júnior, Eufrânio N; Alvarenga, Meiry E.; Martins, Felipe T.; Gatto, Claudia C.; Pinheiro, Carlos B.; Pedroso, Emerson F.; Silva, Júlia P O; Marques, Lippy F.; Santos, Moliria V.; Torres, Francisco R.; Euclides, Rividy; Freire, Ricardo O.; Nunes, Wallace C.; de Almeida, Adriele A.; Knobel, Marcelo; Pereira, Cynthia L. M.","Photoluminescence and magnetic properties of isostructural europium(III), gadolinium(III) and terbium(III) oxamate-based coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","14995","15009","10.1039/d4dt01290a","","x-ray","0.71073","MoKα","","0.072","0.0408","","","0.0856","0.0921","","","","","","1.087","","","","has coordinates","295251","2024-10-06","08:00:54",""
"7716655","13.6235","0.0016","14.122","0.002","17.971","0.003","90","","90","","90","","3457.5","0.9","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H45 Co N4 O19.75 P -","- C22 H45 Co N4 O19.75 P -","- C88 H180 Co4 N16 O79 P4 -","4","1","","Zohaib, Hafiz Muhammad; Saqlain, Madiha; Khan, Maroof Ahmad; Masood, Sara; Gul, Ijaz; Irfan, Muhammad; Li, Hui","Exploring enantioselective recognition of dTMP-Co-bpe coordination polymer for natural amino acids using molecular simulations and circular dichroism.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13076","13086","10.1039/d4dt01245c","","","0.71073","MoKα","","0.0778","0.0461","","","0.0983","0.1115","","","","","","1.018","","","","has coordinates","294567","2024-09-06","00:50:43",""
"7716656","11.2271","0.0001","26.3205","0.0004","19.3546","0.0002","90","","94.839","0.001","90","","5698.95","0.12","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 Co F6 N4 O5 S -","- C23 H29 Co F6 N4 O5 S -","- C184 H232 Co8 F48 N32 O40 S8 -","8","2","","Zou, Minzhu; Kuruppu, Sewwandi; Emge, Thomas J.; Waldie, Kate M.","Metal- <i>versus</i> ligand-centered reactivity of a cobalt-phenylenediamide complex with electrophiles.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13174","13183","10.1039/d4dt01655f","","","1.54184","CuKα","","0.0537","0.0462","","","0.1206","0.1249","","","","","","1.078","","","","has coordinates","294578","2024-09-06","00:55:36",""
"7716657","30.7337","0.0006","12.0988","0.0002","17.2692","0.0002","90","","90","","90","","6421.39","0.18","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C32 H39 Co2 F3 N4 O2 -","- C32 H39 Co2 F3 N4 O2 -","- C256 H312 Co16 F24 N32 O16 -","8","1","","Zou, Minzhu; Kuruppu, Sewwandi; Emge, Thomas J.; Waldie, Kate M.","Metal- <i>versus</i> ligand-centered reactivity of a cobalt-phenylenediamide complex with electrophiles.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13174","13183","10.1039/d4dt01655f","","","1.54184","CuKα","","0.0563","0.0438","","","0.1083","0.1148","","","","","","1.041","","","","has coordinates","294578","2024-09-06","00:55:45",""
"7716658","13.6398","0.0003","11.7221","0.0002","14.7206","0.0003","90","","98.94","0.002","90","","2325.04","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 Co F3 N4 O2 -","- C22 H29 Co F3 N4 O2 -","- C88 H116 Co4 F12 N16 O8 -","4","1","","Zou, Minzhu; Kuruppu, Sewwandi; Emge, Thomas J.; Waldie, Kate M.","Metal- <i>versus</i> ligand-centered reactivity of a cobalt-phenylenediamide complex with electrophiles.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13174","13183","10.1039/d4dt01655f","","","1.54184","CuKα","","0.0539","0.0459","","","0.1176","0.1241","","","","","","1.018","","","","has coordinates","294578","2024-09-06","00:55:48",""
"7716659","15.1203","0.0003","10.1625","0.0005","24.1368","0.0006","90","","92.2917","0.0019","90","","3705.9","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H43 Co F6 N4 O9 S2 -","- C29 H43 Co F6 N4 O9 S2 -","- C116 H172 Co4 F24 N16 O36 S8 -","4","1","","Zou, Minzhu; Kuruppu, Sewwandi; Emge, Thomas J.; Waldie, Kate M.","Metal- <i>versus</i> ligand-centered reactivity of a cobalt-phenylenediamide complex with electrophiles.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13174","13183","10.1039/d4dt01655f","","","1.54184","CuKα","","0.0906","0.0768","","","0.2102","0.2206","","","","","","1.065","","","","has coordinates,has disorder","294578","2024-09-06","00:55:51",""
"7716660","13.3154","0.0007","10.2609","0.0003","15.6925","0.0007","90","","106.217","0.005","90","","2058.73","0.16","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C37 H63 Co F6 N4 O8 S2 -","- C37 H63 Co F6 N4 O8 S2 -","- C74 H126 Co2 F12 N8 O16 S4 -","2","0.5","","Zou, Minzhu; Kuruppu, Sewwandi; Emge, Thomas J.; Waldie, Kate M.","Metal- <i>versus</i> ligand-centered reactivity of a cobalt-phenylenediamide complex with electrophiles.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13174","13183","10.1039/d4dt01655f","","","1.54184","CuKα","","0.1078","0.0907","","","0.231","0.2429","","","","","","1.074","","","","has coordinates,has disorder","294578","2024-09-06","00:55:51",""
"7716661","13.1393","0.0001","18.0237","0.0001","27.0667","0.0002","90","","99.18","0.001","90","","6327.81","0.08","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H88 Co F6 N8 O11 S2 -","- C50.998 H88 Co F5.994 N8 O10.994 S1.998 -","- C203.992 H352 Co4 F23.976 N32 O43.976 S7.992 -","4","1","","Zou, Minzhu; Kuruppu, Sewwandi; Emge, Thomas J.; Waldie, Kate M.","Metal- <i>versus</i> ligand-centered reactivity of a cobalt-phenylenediamide complex with electrophiles.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13174","13183","10.1039/d4dt01655f","","","1.54184","CuKα","","0.0507","0.0472","","","0.1339","0.1368","","","","","","1.002","","","","has coordinates,has disorder","294578","2024-09-06","00:55:51",""
"7716662","13.9962","0.0013","24.752","0.002","21.489","0.002","90","","92.974","0.003","90","","7434.5","1.1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H118 Co3 N8 O5 -","- C76 H118 Co3 N8 O5 -","- C304 H472 Co12 N32 O20 -","4","1","","Zou, Minzhu; Kuruppu, Sewwandi; Emge, Thomas J.; Waldie, Kate M.","Metal- <i>versus</i> ligand-centered reactivity of a cobalt-phenylenediamide complex with electrophiles.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13174","13183","10.1039/d4dt01655f","","","0.71073","MoKα","","0.0781","0.0527","","","0.1214","0.1348","","","","","","1.04","","","","has coordinates,has disorder","294578","2024-09-06","00:55:51",""
"7716663","10.0851","0.0011","10.6903","0.0009","12.485","0.0009","90","","103.388","0.008","90","","1309.5","0.2","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Cl N3 O Pt -","- C12 H16 Cl N3 O Pt -","- C48 H64 Cl4 N12 O4 Pt4 -","4","1","","Lv, Zhimin; Ali, Amjad; Zou, Cheng; Wang, Zerui; Ma, Minglu; Cheng, Na; Shad, Man; Hao, Huifang; Zhang, Yongmin; Rahman, Faiz-Ur","Salicylaldehyde-derived piperazine-functionalized hydrazone ligand-based Pt(II) complexes: inhibition of EZH2-dependent tumorigenesis in pancreatic ductal adenocarcinoma, synergism with PARP inhibitors and enhanced apoptosis.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13871","13889","10.1039/d4dt01243g","","x-ray","0.71073","MoKα","","0.0514","0.0367","","","0.0585","0.0675","","","","","","1.049","","","","has coordinates","294557","2024-09-06","00:44:23",""
"7716664","7.9549","0.0008","9.4351","0.001","10.4761","0.001","84.97","0.008","69.813","0.009","72.252","0.009","702.73","0.13","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C12 H15 Cl N4 O3 Pt -","- C12 H15 Cl N4 O3 Pt -","- C24 H30 Cl2 N8 O6 Pt2 -","2","1","","Lv, Zhimin; Ali, Amjad; Zou, Cheng; Wang, Zerui; Ma, Minglu; Cheng, Na; Shad, Man; Hao, Huifang; Zhang, Yongmin; Rahman, Faiz-Ur","Salicylaldehyde-derived piperazine-functionalized hydrazone ligand-based Pt(II) complexes: inhibition of EZH2-dependent tumorigenesis in pancreatic ductal adenocarcinoma, synergism with PARP inhibitors and enhanced apoptosis.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13871","13889","10.1039/d4dt01243g","","x-ray","0.71073","MoKα","","0.0316","0.0279","","","0.0502","0.0527","","","","","","1.023","","","","has coordinates","294557","2024-09-06","00:44:23",""
"7716665","10.8638","0.0005","11.1381","0.0004","11.8396","0.0005","90","","105.065","0.005","90","","1383.38","0.1","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 Cl2 N3 O Pt -","- C12 H15 Cl2 N3 O Pt -","- C48 H60 Cl8 N12 O4 Pt4 -","4","1","","Lv, Zhimin; Ali, Amjad; Zou, Cheng; Wang, Zerui; Ma, Minglu; Cheng, Na; Shad, Man; Hao, Huifang; Zhang, Yongmin; Rahman, Faiz-Ur","Salicylaldehyde-derived piperazine-functionalized hydrazone ligand-based Pt(II) complexes: inhibition of EZH2-dependent tumorigenesis in pancreatic ductal adenocarcinoma, synergism with PARP inhibitors and enhanced apoptosis.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13871","13889","10.1039/d4dt01243g","","x-ray","0.71073","MoKα","","0.0288","0.0236","","","0.0406","0.0431","","","","","","1.042","","","","has coordinates","294557","2024-09-06","00:44:23",""
"7716666","10.2897","0.0005","10.825","0.0004","12.0729","0.0005","90","","102.743","0.004","90","","1311.63","0.1","149.99","0.1","149.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 Cl F N3 O Pt -","- C12 H15 Cl F N3 O Pt -","- C48 H60 Cl4 F4 N12 O4 Pt4 -","4","1","","Lv, Zhimin; Ali, Amjad; Zou, Cheng; Wang, Zerui; Ma, Minglu; Cheng, Na; Shad, Man; Hao, Huifang; Zhang, Yongmin; Rahman, Faiz-Ur","Salicylaldehyde-derived piperazine-functionalized hydrazone ligand-based Pt(II) complexes: inhibition of EZH2-dependent tumorigenesis in pancreatic ductal adenocarcinoma, synergism with PARP inhibitors and enhanced apoptosis.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13871","13889","10.1039/d4dt01243g","","x-ray","0.71073","MoKα","","0.0268","0.0221","","","0.0392","0.0412","","","","","","1.017","","","","has coordinates","294557","2024-09-06","00:44:23",""
"7716667","11.0059","0.0006","11.2147","0.0006","11.9096","0.0006","90","","105.554","0.005","90","","1416.14","0.13","149.99","0.1","149.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 Br Cl N3 O Pt -","- C12 H15 Br Cl N3 O Pt -","- C48 H60 Br4 Cl4 N12 O4 Pt4 -","4","1","","Lv, Zhimin; Ali, Amjad; Zou, Cheng; Wang, Zerui; Ma, Minglu; Cheng, Na; Shad, Man; Hao, Huifang; Zhang, Yongmin; Rahman, Faiz-Ur","Salicylaldehyde-derived piperazine-functionalized hydrazone ligand-based Pt(II) complexes: inhibition of EZH2-dependent tumorigenesis in pancreatic ductal adenocarcinoma, synergism with PARP inhibitors and enhanced apoptosis.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13871","13889","10.1039/d4dt01243g","","x-ray","0.71073","MoKα","","0.0329","0.0266","","","0.0536","0.0566","","","","","","1.027","","","","has coordinates","294557","2024-09-06","00:44:23",""
"7716668","7.5715","0.0003","17.9623","0.0007","20.2642","0.0009","90","","90","","90","","2756","0.2","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 Br6 N2 Sn -","- C18 H28 Br6 N2 Sn -","- C72 H112 Br24 N8 Sn4 -","4","1","","Caussin, Louis; Jouaiti, Abdelaziz; Chartrand, Daniel; Skene, W. G.; Ferlay, Sylvie","Tuning the dimensionality in chiral and racemic organic/tin hybrids with halides.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12755","12763","10.1039/d4dt01645a","","x-ray","1.34139","GaKα","","0.0317","0.0274","","","0.0633","0.0652","","","","","","1.042","","","","has coordinates","293867","2024-08-05","19:08:24",""
"7716669","7.5756","0.0003","17.9704","0.0006","20.266","0.0007","90","","90","","90","","2758.94","0.17","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 Br6 N2 Sn -","- C18 H28 Br6 N2 Sn -","- C72 H112 Br24 N8 Sn4 -","4","1","","Caussin, Louis; Jouaiti, Abdelaziz; Chartrand, Daniel; Skene, W. G.; Ferlay, Sylvie","Tuning the dimensionality in chiral and racemic organic/tin hybrids with halides.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12755","12763","10.1039/d4dt01645a","","x-ray","1.34139","GaKα","","0.0791","0.0481","","","0.1124","0.1242","","","","","","0.966","","","","has coordinates","293867","2024-08-05","19:08:25",""
"7716670","8.2467","0.0003","8.5854","0.0003","21.7734","0.0008","90","","90","","90","","1541.58","0.1","150","","150","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H14 I3 N Sn -","- C9 H14 I3 N Sn -","- C36 H56 I12 N4 Sn4 -","4","0.5","","Caussin, Louis; Jouaiti, Abdelaziz; Chartrand, Daniel; Skene, W. G.; Ferlay, Sylvie","Tuning the dimensionality in chiral and racemic organic/tin hybrids with halides.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12755","12763","10.1039/d4dt01645a","","x-ray","1.34139","GaKα","","0.0433","0.0364","","","0.1198","0.1246","","","","","","1.108","","","","has coordinates,has disorder","293867","2024-08-05","19:08:25",""
"7716671","8.5559","0.0002","8.6602","0.0002","20.3328","0.0006","90","","90","","90","","1506.58","0.07","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 I6 N2 Sn2 -","- C18 H28 I6 N2 Sn2 -","- C36 H56 I12 N4 Sn4 -","2","0.5","","Caussin, Louis; Jouaiti, Abdelaziz; Chartrand, Daniel; Skene, W. G.; Ferlay, Sylvie","Tuning the dimensionality in chiral and racemic organic/tin hybrids with halides.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12755","12763","10.1039/d4dt01645a","","x-ray","1.34139","GaKα","","0.0279","0.0276","","","0.0683","0.0684","","","","","","1.109","","","","has coordinates","293867","2024-08-05","19:08:25",""
"7716672","7.5056","0.0004","13.0933","0.0008","27.1689","0.0016","90","","90","","90","","2670","0.3","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H28 Br6 N2 Sn -","- C18 H28 Br6 N2 Sn -","- C72 H112 Br24 N8 Sn4 -","4","0.5","","Caussin, Louis; Jouaiti, Abdelaziz; Chartrand, Daniel; Skene, W. G.; Ferlay, Sylvie","Tuning the dimensionality in chiral and racemic organic/tin hybrids with halides.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12755","12763","10.1039/d4dt01645a","","x-ray","1.34139","GaKα","","0.0497","0.0371","","","0.084","0.0889","","","","","","1.076","","","","has coordinates","293867","2024-08-05","19:08:25",""
"7716673","8.5537","0.0004","8.6479","0.0003","20.3305","0.0009","90","","90","","90","","1503.88","0.11","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 I3 N Sn -","- C9 H14 I3 N Sn -","- C36 H56 I12 N4 Sn4 -","4","1","","Caussin, Louis; Jouaiti, Abdelaziz; Chartrand, Daniel; Skene, W. G.; Ferlay, Sylvie","Tuning the dimensionality in chiral and racemic organic/tin hybrids with halides.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12755","12763","10.1039/d4dt01645a","","x-ray","1.34139","GaKα","","0.0421","0.037","","","0.0868","0.0893","","","","","","0.998","","","","has coordinates","293867","2024-08-05","19:08:25",""
"7716674","11.2025","0.0004","11.2154","0.0004","19.5845","0.0008","88.484","0.001","81.394","0.001","65.537","0.001","2212.77","0.14","125","","125","","","","","","","","","3","P -1","-P 1","2","","","","- C51 H63 N5 -","- C51 H63 N5 -","- C102 H126 N10 -","2","1","","George, Tanner; Grant, Tamika; Munhoz, Isadora Schumann; Do, Thai; Masuda, Jason D.","Group 11 complexes of a bulky triazene ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13107","13118","10.1039/d4dt01561d","","","0.71073","MoKα","","0.0897","0.0772","","","0.1982","0.2113","","","","","","1.035","","","","has coordinates","294570","2024-09-06","00:52:17",""
"7716675","10.7224","0.0007","19.5925","0.0013","25.0634","0.0017","90","","99.514","0.003","90","","5192.9","0.6","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H63 Au Cl N5 -","- C51 H63 Au Cl N5 -","- C204 H252 Au4 Cl4 N20 -","4","1","","George, Tanner; Grant, Tamika; Munhoz, Isadora Schumann; Do, Thai; Masuda, Jason D.","Group 11 complexes of a bulky triazene ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13107","13118","10.1039/d4dt01561d","","","0.71073","MoKα","","0.0852","0.0532","","","0.1414","0.177","","","","","","1.173","","","","has coordinates","294570","2024-09-06","00:52:17",""
"7716676","15.0715","0.0014","12.0259","0.0011","16.7031","0.0013","90","","115.525","0.003","90","","2731.9","0.4","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H78 Au2 Cl2 N6 -","- C54 H78 Au2 Cl2 N6 -","- C108 H156 Au4 Cl4 N12 -","2","0.5","","George, Tanner; Grant, Tamika; Munhoz, Isadora Schumann; Do, Thai; Masuda, Jason D.","Group 11 complexes of a bulky triazene ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13107","13118","10.1039/d4dt01561d","","","0.71073","MoKα","","0.0349","0.0261","","","0.0577","0.0638","","","","","","1.058","","","","has coordinates,has disorder","294570","2024-09-06","00:52:17",""
"7716677","9.0095","0.001","11.7459","0.0014","18.4967","0.0018","98.261","0.005","95.617","0.005","106.614","0.005","1836.2","0.4","150","","150","","","","","","","","","2","P -1","-P 1","2","","","","- C24 H26 -","- C24 H26 -","- C96 H104 -","4","2","","George, Tanner; Grant, Tamika; Munhoz, Isadora Schumann; Do, Thai; Masuda, Jason D.","Group 11 complexes of a bulky triazene ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13107","13118","10.1039/d4dt01561d","","","0.71073","MoKα","","0.1446","0.0945","","","0.1754","0.2025","","","","","","1.2","","","","has coordinates","294570","2024-09-06","00:52:17",""
"7716678","11.7942","0.0003","18.1027","0.0006","12.4614","0.0005","90","","112.88","0.001","90","","2451.26","0.14","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C51 H63 Cu I N5 -","- C51 H63 Cu I N5 -","- C102 H126 Cu2 I2 N10 -","2","1","","George, Tanner; Grant, Tamika; Munhoz, Isadora Schumann; Do, Thai; Masuda, Jason D.","Group 11 complexes of a bulky triazene ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13107","13118","10.1039/d4dt01561d","","","0.71073","MoKα","","0.0336","0.025","","","0.0572","0.0633","","","","","","1.085","","","","has coordinates","294570","2024-09-06","00:52:17",""
"7716679","10.6309","0.0002","19.3993","0.0005","25.4245","0.0007","90","","99.286","0.001","90","","5174.6","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H63 Au Cl D6 N5 -","- C57 H63 Au Cl D6 N5 -","- C228 H252 Au4 Cl4 D24 N20 -","4","1","","George, Tanner; Grant, Tamika; Munhoz, Isadora Schumann; Do, Thai; Masuda, Jason D.","Group 11 complexes of a bulky triazene ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13107","13118","10.1039/d4dt01561d","","","0.71073","MoKα","","0.0413","0.0357","","","0.0819","0.0888","","","","","","1.106","","","","has coordinates,has disorder","294570","2024-09-06","00:52:17",""
"7716680","10.6515","0.0003","19.6951","0.0005","24.8627","0.0007","90","","99.271","0.001","90","","5147.6","0.2","125","","125","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H63 Cl Cu D6 N5 -","- C57 H63 Cl Cu D6 N5 -","- C228 H252 Cl4 Cu4 D24 N20 -","4","1","","George, Tanner; Grant, Tamika; Munhoz, Isadora Schumann; Do, Thai; Masuda, Jason D.","Group 11 complexes of a bulky triazene ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13107","13118","10.1039/d4dt01561d","","","0.71073","MoKα","","0.062","0.0437","","","0.1223","0.1413","","","","","","1.082","","","","has coordinates","294570","2024-09-06","00:52:17",""
"7716681","22.0453","0.0016","11.9742","0.0008","18.6052","0.0015","90","","90","","90","","4911.3","0.6","125","","125","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C52 H63 Ag F3 N5 O3 S -","- C52 H63 Ag F3 N5 O3 S -","- C208 H252 Ag4 F12 N20 O12 S4 -","4","1","","George, Tanner; Grant, Tamika; Munhoz, Isadora Schumann; Do, Thai; Masuda, Jason D.","Group 11 complexes of a bulky triazene ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13107","13118","10.1039/d4dt01561d","","","0.71073","MoKα","","0.0411","0.0298","","","0.0745","0.086","","","","","","1.159","","","","has coordinates,has disorder","294570","2024-09-06","00:52:17",""
"7716682","39.281","0.002","11.329","0.0007","20.6762","0.0012","90","","105.449","0.002","90","","8868.7","0.9","150","","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C51 H63 N5 -","- C51 H63 N5 -","- C408 H504 N40 -","8","1","","George, Tanner; Grant, Tamika; Munhoz, Isadora Schumann; Do, Thai; Masuda, Jason D.","Group 11 complexes of a bulky triazene ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13107","13118","10.1039/d4dt01561d","","","0.71073","MoKα","","0.0999","0.0693","","","0.1659","0.1865","","","","","","1.049","","","","has coordinates","294570","2024-09-06","00:52:17",""
"7716683","15.7557","0.0003","10.6519","0.0002","11.786","0.0003","90","","93.202","0.002","90","","1974.93","0.07","149.99","0.1","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C45 H40 Mo N4 O4 -","- C45 H40 Mo N4 O4 -","- C90 H80 Mo2 N8 O8 -","2","0.5","","Calhau, Isabel B.; Gomes, Ana C.; Mendes, Ricardo F.; Almeida Paz, Filipe A.; Gonçalves, Isabel S; Pillinger, Martyn","An organic-organometallic CO-releasing material comprising 4,4'-bipyridine and molybdenum subcarbonyl building blocks.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12783","12796","10.1039/d4dt01303d","","x-ray","0.71073","MoKα","","0.0306","0.0297","","","0.0768","0.0774","","","","","","1.02","","","","has coordinates,has disorder","293864","2024-08-05","19:07:44",""
"7716684","7.1579","0.0008","21.788","0.003","15.1954","0.0017","90","","94.752","0.002","90","","2361.7","0.5","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 Mo N4 O5 -","- C25 H16 Mo N4 O5 -","- C100 H64 Mo4 N16 O20 -","4","1","","Calhau, Isabel B.; Gomes, Ana C.; Mendes, Ricardo F.; Almeida Paz, Filipe A.; Gonçalves, Isabel S; Pillinger, Martyn","An organic-organometallic CO-releasing material comprising 4,4'-bipyridine and molybdenum subcarbonyl building blocks.","Dalton transactions (Cambridge, England : 2003)","2024","53","30","12783","12796","10.1039/d4dt01303d","","","0.71073","MoKα","","0.0346","0.0318","","","0.0798","0.0823","","","","","","1.105","","","","has coordinates","293864","2024-08-05","19:07:44",""
"7716685","12.3638","0.0003","23.3713","0.0007","13.5306","0.0004","90","","108.696","0.003","90","","3703.47","0.19","123","2","123","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C60 H88 Cl8 Cu N10 O4 P2 Pt2 Rh2 -","- C60 H88 Cl8 Cu N10 O4 P2 Pt2 Rh2 -","- C120 H176 Cl16 Cu2 N20 O8 P4 Pt4 Rh4 -","2","0.5","","Uemura, Kazuhiro; Ikeda, Yuya","Structure and redox behaviour of a paramagnetic Rh-Pt-Cu-Pt-Rh heterometallic-extended metal-atom chain.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","12867","12871","10.1039/d4dt01134a","","","0.71073","MoKα","","0.0232","0.0211","","","0.0898","0.0923","","","","","","0.807","","","","has coordinates","294569","2024-09-06","00:51:07",""
"7716686","7.386","0.0002","13.3981","0.0004","15.4197","0.0004","71.938","0.002","84.339","0.002","83.891","0.002","1438.99","0.07","303.27","0.1","303.27","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H24 Cu N2 O7 V -","- C32 H24 Cu N2 O7 V -","- C64 H48 Cu2 N4 O14 V2 -","2","1","","Deng, Qing-Song; Zhang, Yu-Shuang; Wang, Ye-Xin; Xie, Yi; Fu, Peng-Xiang; Gao, Song; Liu, Zheng; Jiang, Shang-Da","Orthogonal magnetic orbitals in high spin Cu-VO units: structure, magnetism and EPR study of anisotropic heterometallic complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13207","13215","10.1039/d4dt01346h","","x-ray","0.71073","MoKα","","0.0812","0.0718","","","0.2043","0.2086","","","","","","1.093","","","","has coordinates,has disorder","294573","2024-09-06","00:53:01",""
"7716687","20.1187","0.0008","10.8875","0.0004","18.4955","0.0007","90","","109.576","0.004","90","","3817.1","0.3","303.58","0.17","303.58","0.17","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H32 Cu2 N4 O14 V2 -","- C40 H32 Cu2 N4 O14 V2 -","- C160 H128 Cu8 N16 O56 V8 -","4","0.5","","Deng, Qing-Song; Zhang, Yu-Shuang; Wang, Ye-Xin; Xie, Yi; Fu, Peng-Xiang; Gao, Song; Liu, Zheng; Jiang, Shang-Da","Orthogonal magnetic orbitals in high spin Cu-VO units: structure, magnetism and EPR study of anisotropic heterometallic complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13207","13215","10.1039/d4dt01346h","","x-ray","0.71073","MoKα","","0.0578","0.039","","","0.0993","0.1088","","","","","","1.017","","","","has coordinates","294573","2024-09-06","00:53:01",""
"7716688","9.6581","0.0002","10.718","0.0003","10.7586","0.0003","114.387","0.003","94.858","0.002","111.117","0.002","909.78","0.05","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C36 H20 Cl4 Cu2 N4 O14 V2 -","- C36 H20 Cl4 Cu2 N4 O14 V2 -","- C36 H20 Cl4 Cu2 N4 O14 V2 -","1","0.5","","Deng, Qing-Song; Zhang, Yu-Shuang; Wang, Ye-Xin; Xie, Yi; Fu, Peng-Xiang; Gao, Song; Liu, Zheng; Jiang, Shang-Da","Orthogonal magnetic orbitals in high spin Cu-VO units: structure, magnetism and EPR study of anisotropic heterometallic complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13207","13215","10.1039/d4dt01346h","","x-ray","0.71073","MoKα","","0.0303","0.0262","","","0.0694","0.0712","","","","","","1.07","","","","has coordinates","294573","2024-09-06","00:53:01",""
"7716689","9.0873","0.0002","13.3569","0.0003","17.7604","0.0003","86.312","0.002","80.406","0.001","72.478","0.002","2026.72","0.08","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C44 H40 Cu2 N4 O10 V2 -","- C44 H40 Cu2 N4 O10 V2 -","- C88 H80 Cu4 N8 O20 V4 -","2","1","","Deng, Qing-Song; Zhang, Yu-Shuang; Wang, Ye-Xin; Xie, Yi; Fu, Peng-Xiang; Gao, Song; Liu, Zheng; Jiang, Shang-Da","Orthogonal magnetic orbitals in high spin Cu-VO units: structure, magnetism and EPR study of anisotropic heterometallic complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13207","13215","10.1039/d4dt01346h","","x-ray","0.71073","MoKα","","0.089","0.0677","","","0.1548","0.1742","","","","","","1.076","","","","has coordinates","294573","2024-09-06","00:53:01",""
"7716690","12.0472","0.0004","12.4245","0.0005","12.7142","0.0005","90","","101.706","0.004","90","","1863.49","0.12","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H40 Bi I9 N4 -","- C12 H40 Bi I9 N4 -","- C24 H80 Bi2 I18 N8 -","2","0.25","","Pradhan, Abinash; Rana, Rajanikanta; Rajaraman, Gopalan; Pradhan, Monalisa; Samal, Saroj L.","(C<sub>3</sub>H<sub>7</sub>NH<sub>3</sub>)<sub>4</sub>Bi<sub>1-<i>x</i></sub>Sb<sub><i>x</i></sub>I<sub>9</sub>: 0D hybrid halide perovskite-like compounds with isolated triiodide units.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13628","13637","10.1039/d4dt01692k","","x-ray","0.71073","MoKα","","0.0451","0.034","","","0.076","0.0789","","","","","","1.055","","","","has coordinates,has disorder","294537","2024-09-06","00:37:47",""
"7716691","12.0079","0.0007","12.3595","0.0008","12.7066","0.0008","90","","101.585","0.006","90","","1847.4","0.2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H40 I9 N4 Sb -","- C12 H40 I9 N4 Sb -","- C24 H80 I18 N8 Sb2 -","2","0.25","","Pradhan, Abinash; Rana, Rajanikanta; Rajaraman, Gopalan; Pradhan, Monalisa; Samal, Saroj L.","(C<sub>3</sub>H<sub>7</sub>NH<sub>3</sub>)<sub>4</sub>Bi<sub>1-<i>x</i></sub>Sb<sub><i>x</i></sub>I<sub>9</sub>: 0D hybrid halide perovskite-like compounds with isolated triiodide units.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13628","13637","10.1039/d4dt01692k","","x-ray","0.71073","MoKα","","0.0604","0.0528","","","0.1707","0.1748","","","","","","1.196","","","","has coordinates,has disorder","294537","2024-09-06","00:37:48",""
"7716692","12.588","0.0004","12.1462","0.0003","11.9457","0.0003","90","","102.724","0.003","90","","1781.6","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H40 Bi I9 N4 -","- C12 H40 Bi I9 N4 -","- C24 H80 Bi2 I18 N8 -","2","0.5","","Pradhan, Abinash; Rana, Rajanikanta; Rajaraman, Gopalan; Pradhan, Monalisa; Samal, Saroj L.","(C<sub>3</sub>H<sub>7</sub>NH<sub>3</sub>)<sub>4</sub>Bi<sub>1-<i>x</i></sub>Sb<sub><i>x</i></sub>I<sub>9</sub>: 0D hybrid halide perovskite-like compounds with isolated triiodide units.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13628","13637","10.1039/d4dt01692k","","x-ray","0.71073","MoKα","","0.0547","0.0491","","","0.1276","0.131","","","","","","1.043","","","","has coordinates,has disorder","294537","2024-09-06","00:37:48",""
"7716693","12.5656","0.0003","12.0959","0.0002","11.9061","0.0002","90","","102.911","0.002","90","","1763.88","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H40 I9 N4 Sb -","- C12 H40 I9 N4 Sb -","- C24 H80 I18 N8 Sb2 -","2","0.5","","Pradhan, Abinash; Rana, Rajanikanta; Rajaraman, Gopalan; Pradhan, Monalisa; Samal, Saroj L.","(C<sub>3</sub>H<sub>7</sub>NH<sub>3</sub>)<sub>4</sub>Bi<sub>1-<i>x</i></sub>Sb<sub><i>x</i></sub>I<sub>9</sub>: 0D hybrid halide perovskite-like compounds with isolated triiodide units.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13628","13637","10.1039/d4dt01692k","","x-ray","0.71073","MoKα","","0.0386","0.0321","","","0.0702","0.0733","","","","","","1.048","","","","has coordinates","294537","2024-09-06","00:37:48",""
"7716694","12.5786","0.0006","12.1093","0.0006","11.9152","0.0006","90","","102.841","0.005","90","","1769.51","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H40 Bi0.27 I9 N4 Sb0.73 -","- C12 H40 Bi0.268 I9 N4 Sb0.732 -","- C24 H80 Bi0.536 I18 N8 Sb1.464 -","2","0.5","","Pradhan, Abinash; Rana, Rajanikanta; Rajaraman, Gopalan; Pradhan, Monalisa; Samal, Saroj L.","(C<sub>3</sub>H<sub>7</sub>NH<sub>3</sub>)<sub>4</sub>Bi<sub>1-<i>x</i></sub>Sb<sub><i>x</i></sub>I<sub>9</sub>: 0D hybrid halide perovskite-like compounds with isolated triiodide units.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13628","13637","10.1039/d4dt01692k","","x-ray","0.71073","MoKα","","0.0656","0.0551","","","0.1451","0.1505","","","","","","1.075","","","","has coordinates,has disorder","294537","2024-09-06","00:37:48",""
"7716695","12.0266","0.0003","12.3856","0.0004","12.7094","0.0004","90","","101.68","0.003","90","","1853.95","0.1","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H40 Bi0.38 I9.01 N4 Sb0.62 -","- C12 H40 Bi0.376 I9 N4 Sb0.624 -","- C24 H80 Bi0.752 I18 N8 Sb1.248 -","2","0.25","","Pradhan, Abinash; Rana, Rajanikanta; Rajaraman, Gopalan; Pradhan, Monalisa; Samal, Saroj L.","(C<sub>3</sub>H<sub>7</sub>NH<sub>3</sub>)<sub>4</sub>Bi<sub>1-<i>x</i></sub>Sb<sub><i>x</i></sub>I<sub>9</sub>: 0D hybrid halide perovskite-like compounds with isolated triiodide units.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13628","13637","10.1039/d4dt01692k","","x-ray","0.71073","MoKα","","0.04","0.0328","","","0.0801","0.0832","","","","","","1.081","","","","has coordinates,has disorder","294537","2024-09-06","00:37:48",""
"7716696","12.0415","0.0004","12.413","0.0005","12.7149","0.0004","90","","101.651","0.003","90","","1861.35","0.12","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H40 Bi0.77 I9 N4 Sb0.23 -","- C12 H40 Bi0.771 I9 N4 Sb0.229 -","- C24 H80 Bi1.542 I18 N8 Sb0.458 -","2","0.25","","Pradhan, Abinash; Rana, Rajanikanta; Rajaraman, Gopalan; Pradhan, Monalisa; Samal, Saroj L.","(C<sub>3</sub>H<sub>7</sub>NH<sub>3</sub>)<sub>4</sub>Bi<sub>1-<i>x</i></sub>Sb<sub><i>x</i></sub>I<sub>9</sub>: 0D hybrid halide perovskite-like compounds with isolated triiodide units.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13628","13637","10.1039/d4dt01692k","","x-ray","0.71073","MoKα","","0.0366","0.0301","","","0.0709","0.0728","","","","","","1.052","","","","has coordinates,has disorder","294537","2024-09-06","00:37:48",""
"7716697","12.0145","0.0003","12.2218","0.0003","12.5672","0.0003","90","","102.632","0.002","90","","1800.69","0.08","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H40 Bi I9 N4 -","- C12 H40 Bi I9 N4 -","- C24 H80 Bi2 I18 N8 -","2","0.25","","Pradhan, Abinash; Rana, Rajanikanta; Rajaraman, Gopalan; Pradhan, Monalisa; Samal, Saroj L.","(C<sub>3</sub>H<sub>7</sub>NH<sub>3</sub>)<sub>4</sub>Bi<sub>1-<i>x</i></sub>Sb<sub><i>x</i></sub>I<sub>9</sub>: 0D hybrid halide perovskite-like compounds with isolated triiodide units.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13628","13637","10.1039/d4dt01692k","","x-ray","0.71073","MoKα","","0.0308","0.0289","","","0.0645","0.0652","","","","","","1.062","","","","has coordinates,has disorder","294537","2024-09-06","00:37:48",""
"7716698","12.0165","0.0005","12.2618","0.0006","12.5979","0.0005","90","","102.505","0.004","90","","1812.19","0.14","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H40 Bi I9 N4 -","- C12 H40 Bi I9 N4 -","- C24 H80 Bi2 I18 N8 -","2","0.25","","Pradhan, Abinash; Rana, Rajanikanta; Rajaraman, Gopalan; Pradhan, Monalisa; Samal, Saroj L.","(C<sub>3</sub>H<sub>7</sub>NH<sub>3</sub>)<sub>4</sub>Bi<sub>1-<i>x</i></sub>Sb<sub><i>x</i></sub>I<sub>9</sub>: 0D hybrid halide perovskite-like compounds with isolated triiodide units.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13628","13637","10.1039/d4dt01692k","","x-ray","0.71073","MoKα","","0.0475","0.0349","","","0.0643","0.0664","","","","","","1.079","","","","has coordinates,has disorder","294537","2024-09-06","00:37:48",""
"7716699","12.0301","0.0006","12.3589","0.0006","12.6623","0.0006","90","","101.999","0.005","90","","1841.48","0.16","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H40 Bi I9 N4 -","- C12 H40 Bi I9 N4 -","- C24 H80 Bi2 I18 N8 -","2","0.25","","Pradhan, Abinash; Rana, Rajanikanta; Rajaraman, Gopalan; Pradhan, Monalisa; Samal, Saroj L.","(C<sub>3</sub>H<sub>7</sub>NH<sub>3</sub>)<sub>4</sub>Bi<sub>1-<i>x</i></sub>Sb<sub><i>x</i></sub>I<sub>9</sub>: 0D hybrid halide perovskite-like compounds with isolated triiodide units.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13628","13637","10.1039/d4dt01692k","","x-ray","0.71073","MoKα","","0.0471","0.0382","","","0.0859","0.0886","","","","","","1.059","","","","has coordinates,has disorder","294537","2024-09-06","00:37:48",""
"7716700","12.58","0.0003","12.1412","0.0004","11.9321","0.0003","90","","102.757","0.003","90","","1777.48","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H40 Bi0.79 I9 N4 Sb0.22 -","- C12 H40 Bi0.787 I9 N4 Sb0.213 -","- C24 H80 Bi1.574 I18 N8 Sb0.426 -","2","0.5","","Pradhan, Abinash; Rana, Rajanikanta; Rajaraman, Gopalan; Pradhan, Monalisa; Samal, Saroj L.","(C<sub>3</sub>H<sub>7</sub>NH<sub>3</sub>)<sub>4</sub>Bi<sub>1-<i>x</i></sub>Sb<sub><i>x</i></sub>I<sub>9</sub>: 0D hybrid halide perovskite-like compounds with isolated triiodide units.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13628","13637","10.1039/d4dt01692k","","x-ray","0.71073","MoKα","","0.0431","0.0326","","","0.0732","0.0764","","","","","","1.057","","","","has coordinates,has disorder","294537","2024-09-06","00:37:48",""
"7716701","13.6468","0.0005","11.6876","0.0003","11.447","0.0003","90","","90","","90","","1825.78","0.09","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C9 H26 Cl5 N3 Sn -","- C9 H26 Cl5 N3 Sn -","- C36 H104 Cl20 N12 Sn4 -","4","0.5","","Wen, Xuemei; Yi, Gangji; Zhang, Zhizhuan; Guo, Caihong; Zeng, Hongmei; Huang, Ling; Zou, Guohong; Lin, Zhien","Amine-directed synthesis, valence state control, and optical properties of two new organic-inorganic tin chlorides.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13195","13200","10.1039/d4dt01919a","","x-ray","0.71073","MoKα","","0.0302","0.0287","","","0.0625","0.0639","","","","","","1.118","","","","has coordinates,has disorder","294566","2024-09-06","00:50:26",""
"7716702","8.5233","0.0008","9.9447","0.0007","24.7591","0.0008","90","","90","","90","","2098.6","0.3","299","2","299","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H26 Cl7 N3 Sn -","- C9 H26 Cl7 N3 Sn -","- C36 H104 Cl28 N12 Sn4 -","4","1","","Wen, Xuemei; Yi, Gangji; Zhang, Zhizhuan; Guo, Caihong; Zeng, Hongmei; Huang, Ling; Zou, Guohong; Lin, Zhien","Amine-directed synthesis, valence state control, and optical properties of two new organic-inorganic tin chlorides.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13195","13200","10.1039/d4dt01919a","","x-ray","0.71073","MoKα","","0.0274","0.0268","","","0.0661","0.0664","","","","","","1.121","","","","has coordinates","294566","2024-09-06","00:50:26",""
"7716703","9.3616","0.0011","10.5556","0.0012","12.6536","0.0015","105.445","0.002","95.23","0.002","103.571","0.002","1155.7","0.2","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H21 N O3 P Re -","- C26 H21 N O3 P Re -","- C52 H42 N2 O6 P2 Re2 -","2","1","","Wang, Qianhang; Wang, Yarong; Zhao, Yue; Li, Yang; Jiang, Wenfeng; Bai, Wei","Aza-metallacycles with a heptavalent Re (d<sup>0</sup>) center.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","12872","12875","10.1039/d4dt02082k","","","0.71073","MoKα","","0.0245","0.0222","","","0.0579","0.0593","","","","","","1.074","","","","has coordinates","294577","2024-09-06","00:54:56",""
"7716704","10.4425","0.0006","22.9633","0.0012","14.07","0.0008","90","","109.99","0.002","90","","3170.6","0.3","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28.5 H27 Cl6 N O P Re -","- C27 H24 Cl3 N O P Re -","- C108 H96 Cl12 N4 O4 P4 Re4 -","4","1","","Wang, Qianhang; Wang, Yarong; Zhao, Yue; Li, Yang; Jiang, Wenfeng; Bai, Wei","Aza-metallacycles with a heptavalent Re (d<sup>0</sup>) center.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","12872","12875","10.1039/d4dt02082k","","","0.71073","MoKα","","0.0595","0.0448","","","0.0923","0.0993","","","","","","1.125","","","","has coordinates","294577","2024-09-06","00:54:56",""
"7716705","5.1017","0.0003","10.763","0.0006","14.8712","0.0008","95.724","0.004","99.786","0.005","90.157","0.005","800.52","0.08","200","0.1","200","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C11 H8 Cl F2 N O10 Tb -","- C11 H8 Cl F2 N O10 Tb -","- C22 H16 Cl2 F4 N2 O20 Tb2 -","2","1","","Oggianu, Mariangela; Bertolotti, Federica; Manna, Fabio; Congiu, Francesco; Cappai, Antonio; Melis, Claudio; Concas, Giorgio; Avarvari, Narcis; Masciocchi, Norberto; Mercuri, Maria Laura","Slow magnetic relaxation in a heteroleptic anilate-based Dy<sup>III</sup> metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2024","53","34","14265","14271","10.1039/d4dt01979b","","","1.54184","CuKα","","0.0527","0.0489","","","0.1234","0.1276","","","","","","1.072","","","","has coordinates,has disorder","294586","2024-09-06","00:59:01",""
"7716706","14.8121","0.0002","19.1272","0.0004","21.0703","0.0004","90","","101.067","0.0019","90","","5858.5","0.19","173.04","0.14","173.04","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C116 H190 Cs N O14 U2 -","- C116 H190 Cs N O14 U2 -","- C232 H380 Cs2 N2 O28 U4 -","2","0.5","","Hsueh, Fang-Che; Barluzzi, Luciano; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Synthesis, structure and redox properties of single-atom bridged diuranium complexes supported by aryloxides.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13416","13426","10.1039/d4dt01819b","","x-ray","1.54184","CuKα","","0.0564","0.0464","","","0.1175","0.1252","","","","","","1.0868","","","","has coordinates,has disorder","294536","2024-09-06","00:36:43",""
"7716707","13.70485","0.00013","14.20424","0.00013","15.06289","0.00017","93.7454","0.0009","113.924","0.001","98.2448","0.0008","2627.79","0.05","139.99","0.1","139.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C88 H148 K2 O12 S2 U2 -","- C88 H148 K2 O12 S2 U2 -","- C88 H148 K2 O12 S2 U2 -","1","0.5","","Hsueh, Fang-Che; Barluzzi, Luciano; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Synthesis, structure and redox properties of single-atom bridged diuranium complexes supported by aryloxides.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13416","13426","10.1039/d4dt01819b","","x-ray","1.54184","CuKα","","0.0258","0.0236","","","0.0605","0.0631","","","","","","1.056","","","","has coordinates,has disorder","294536","2024-09-06","00:36:43",""
"7716708","14.9084","0.0002","19.4995","0.0002","21.0862","0.0002","102.105","0.001","97.537","0.001","95.7018","0.0011","5890.7","0.12","140","0.1","140","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C120 H202 Li O13 U2 -","- C120 H202 Li O13 U2 -","- C240 H404 Li2 O26 U4 -","2","1","","Hsueh, Fang-Che; Barluzzi, Luciano; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Synthesis, structure and redox properties of single-atom bridged diuranium complexes supported by aryloxides.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13416","13426","10.1039/d4dt01819b","","x-ray","1.54184","CuKα","","0.0462","0.0407","","","0.113","0.1196","","","","","","1.023","","","","has coordinates,has disorder","294536","2024-09-06","00:36:43",""
"7716709","14.45571","0.00011","17.05206","0.00017","29.7201","0.00019","79.8697","0.0007","80.6323","0.0006","89.8128","0.0007","7113.18","0.1","139.99","0.1","139.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C120 H198 K2 N4 O18 S U2 -","- C120 H198 K2 N4 O18 S U2 -","- C240 H396 K4 N8 O36 S2 U4 -","2","1","","Hsueh, Fang-Che; Barluzzi, Luciano; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Synthesis, structure and redox properties of single-atom bridged diuranium complexes supported by aryloxides.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13416","13426","10.1039/d4dt01819b","","x-ray","1.54184","CuKα","","0.073","0.0517","","","0.1243","0.1321","","","","","","1.07","","","","has coordinates","294536","2024-09-06","00:36:43",""
"7716710","15.1585","0.0008","16.4391","0.001","18.5969","0.001","77.156","0.005","66.138","0.005","82.519","0.005","4127.8","0.4","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C156 H256 K2 N6 O25 U2 -","- C140 H224 K2 N6 O21 U2 -","- C140 H224 K2 N6 O21 U2 -","1","0.5","","Hsueh, Fang-Che; Barluzzi, Luciano; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Synthesis, structure and redox properties of single-atom bridged diuranium complexes supported by aryloxides.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13416","13426","10.1039/d4dt01819b","","x-ray","1.54184","CuKα","","0.0854","0.0721","","","0.1962","0.2059","","","","","","1.022","","","","has coordinates,has disorder","294536","2024-09-06","00:36:43",""
"7716711","7.7107","0.0012","19.424","0.003","14.081","0.002","90","","96.242","0.005","90","","2096.4","0.5","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","INORGANIC","","","- C20 H21 Cl N2 O Ru S2 -","- C20 H21 Cl N2 O Ru S2 -","- C80 H84 Cl4 N8 O4 Ru4 S8 -","4","1","","Prabaharan, Ramya; Arunachalam, Abirami; Rengan, Ramesh","Analysis of antiproliferative activity of new half-sandwich arene Ru(II) thiophene based aroylhydrazone complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13469","13477","10.1039/d4dt01845a","","","0.71073","MoKα","","0.0404","0.0349","","","0.0924","0.0972","","","","","","1.08","","","","has coordinates","294538","2024-09-06","00:38:11",""
"7716712","6.9321","0.001","7.3574","0.001","18.068","0.003","95.58","0.009","97.514","0.009","111.201","0.009","841.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Organic","","","- C17.99 H18 N4 O3 S -","- C17.986 H17.994 N3.996 O2.996 S0.998 -","- C35.972 H35.988 N7.992 O5.992 S1.996 -","2","1","","Singh, Pushpendra; Sadhu, Kalyan K.","Dual role of arsenite in hydrolysis and post-hydrolysis fluorescence sensing of selective pH-dependent probes.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13950","13959","10.1039/d4dt01728e","","","0.71073","MoKα","","0.1557","0.0925","","","0.1743","0.2026","","","","","","1.069","","","","has coordinates,has disorder","294564","2024-09-06","00:47:55",""
"7716713","7.7113","0.0005","9.6246","0.0009","13.1176","0.0009","100.371","0.007","106.222","0.006","100.696","0.007","890.39","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H17 Br N10 O Zn -","- C12 H17 Br N10 O Zn -","- C24 H34 Br2 N20 O2 Zn2 -","2","1","","Savić, Milica; Pevec, Andrej; Stevanović, Nevena; Novaković, Irena; Matić, Ivana Z; Petrović, Nina; Stanojković, Tatjana; Milčić, Karla; Zlatar, Matija; Turel, Iztok; Čobeljić, Božidar; Milčić, Miloš; Gruden, Maja","Synergy of experimental and computational chemistry: structure and biological activity of Zn(II) hydrazone complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13436","13453","10.1039/d4dt01353k","","","0.71073","MoKα","","0.0688","0.0389","","","0.076","0.0892","","","","","","1.009","","","","has coordinates","294539","2024-09-06","00:38:24",""
"7716714","7.4852","0.0003","9.8974","0.0005","13.2682","0.0006","95.579","0.004","92.748","0.004","110.231","0.004","914.44","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H17 Br N6 O3 Zn -","- C14 H17 Br N6 O3 Zn -","- C28 H34 Br2 N12 O6 Zn2 -","2","1","","Savić, Milica; Pevec, Andrej; Stevanović, Nevena; Novaković, Irena; Matić, Ivana Z; Petrović, Nina; Stanojković, Tatjana; Milčić, Karla; Zlatar, Matija; Turel, Iztok; Čobeljić, Božidar; Milčić, Miloš; Gruden, Maja","Synergy of experimental and computational chemistry: structure and biological activity of Zn(II) hydrazone complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13436","13453","10.1039/d4dt01353k","","","0.71073","MoKα","","0.071","0.0553","","","0.1596","0.1735","","","","","","1.057","","","","has coordinates,has disorder","294539","2024-09-06","00:38:25",""
"7716715","22.9095","0.0008","12.4317","0.0006","12.1295","0.0006","90","","90","","90","","3454.5","0.3","150","2","150","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C24 H34 B2 Br2 F8 N8 O2 Zn -","- C24 H34 B2 Br2 F8 N8 O2 Zn -","- C96 H136 B8 Br8 F32 N32 O8 Zn4 -","4","0.5","","Savić, Milica; Pevec, Andrej; Stevanović, Nevena; Novaković, Irena; Matić, Ivana Z; Petrović, Nina; Stanojković, Tatjana; Milčić, Karla; Zlatar, Matija; Turel, Iztok; Čobeljić, Božidar; Milčić, Miloš; Gruden, Maja","Synergy of experimental and computational chemistry: structure and biological activity of Zn(II) hydrazone complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13436","13453","10.1039/d4dt01353k","","","0.71073","MoKα","","0.058","0.0407","","","0.0844","0.0916","","","","","","1.049","","","","has coordinates","294539","2024-09-06","00:38:25",""
"7716716","21.7261","0.0006","24.6855","0.0008","28.2706","0.0009","113.912","0.003","95.546","0.003","103.741","0.003","13142.4","0.8","150.01","0.1","150.01","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C20 H50 Br2 Ge K5 N2 O57 W11 Yb -","- C20 H22 Br2 Ge K3.29998 N2 O52.4 W11 Yb -","- C120 H132 Br12 Ge6 K19.7999 N12 O314.4 W66 Yb6 -","6","3","","Bustamante-Fernández, Janire; Ruiz-Bilbao, Estibaliz; Rodríguez-Esteban, Corina; Gonidec, Mathieu; García, José A; Lezama, Luis; Gutiérrez-Zorrilla, Juan M; Oyarzabal, Itziar; Artetxe, Beñat","Effect of the heteroatom on the magnetic and luminescence properties of hybrid lanthanide-substituted Keggin-type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13330","13334","10.1039/d4dt01379d","","x-ray","0.71073","MoKα","","0.2036","0.0986","","","0.2129","0.2957","","","","","","1.023","","","","has coordinates","294546","2024-09-06","00:40:26",""
"7716717","21.91","0.0003","24.7934","0.0003","28.5204","0.0004","113.234","0.0011","95.5495","0.001","103.725","0.001","13512","0.4","170","0.1","170","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C20 H50 Br2 Ge K5 N2 O57 Sm W11 -","- C20 H22 Br2 Ge K3.7 N2 O51.5 Sm W11 -","- C120 H132 Br12 Ge6 K22.2 N12 O309 Sm6 W66 -","6","3","","Bustamante-Fernández, Janire; Ruiz-Bilbao, Estibaliz; Rodríguez-Esteban, Corina; Gonidec, Mathieu; García, José A; Lezama, Luis; Gutiérrez-Zorrilla, Juan M; Oyarzabal, Itziar; Artetxe, Beñat","Effect of the heteroatom on the magnetic and luminescence properties of hybrid lanthanide-substituted Keggin-type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13330","13334","10.1039/d4dt01379d","","x-ray","0.71073","MoKα","","0.1448","0.0805","","","0.1874","0.218","","","","","","1.029","","","","has coordinates","294546","2024-09-06","00:40:26",""
"7716718","21.8651","0.0003","24.8167","0.0004","28.5375","0.0005","113.287","0.0015","95.4668","0.0013","103.637","0.0013","13510.9","0.4","170.01","0.1","170.01","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C20 H50 Br2 Eu Ge K5 N2 O57 W11 -","- C20 H22 Br2 Eu Ge K3.3 N2 O51.1 W11 -","- C120 H132 Br12 Eu6 Ge6 K19.8 N12 O306.6 W66 -","6","3","","Bustamante-Fernández, Janire; Ruiz-Bilbao, Estibaliz; Rodríguez-Esteban, Corina; Gonidec, Mathieu; García, José A; Lezama, Luis; Gutiérrez-Zorrilla, Juan M; Oyarzabal, Itziar; Artetxe, Beñat","Effect of the heteroatom on the magnetic and luminescence properties of hybrid lanthanide-substituted Keggin-type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13330","13334","10.1039/d4dt01379d","","x-ray","0.71073","MoKα","","0.2146","0.0996","","","0.2536","0.3143","","","","","","1.008","","","","has coordinates","294546","2024-09-06","00:40:26",""
"7716719","21.7822","0.0002","24.726","0.0003","28.2514","0.0003","113.982","0.0011","95.6056","0.0009","103.806","0.001","13171.7","0.3","170.01","0.1","170.01","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C20 H50 Br2 Gd Ge K5 N2 O57 W11 -","- C20 H22 Br2 Gd Ge K3.7 N2 O52.8 W11 -","- C120 H132 Br12 Gd6 Ge6 K22.2 N12 O316.8 W66 -","6","3","","Bustamante-Fernández, Janire; Ruiz-Bilbao, Estibaliz; Rodríguez-Esteban, Corina; Gonidec, Mathieu; García, José A; Lezama, Luis; Gutiérrez-Zorrilla, Juan M; Oyarzabal, Itziar; Artetxe, Beñat","Effect of the heteroatom on the magnetic and luminescence properties of hybrid lanthanide-substituted Keggin-type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13330","13334","10.1039/d4dt01379d","","x-ray","0.71073","MoKα","","0.124","0.0728","","","0.1626","0.187","","","","","","1.021","","","","has coordinates","294546","2024-09-06","00:40:26",""
"7716720","21.7984","0.0003","24.7149","0.0005","28.4125","0.0004","113.44","0.0014","95.5533","0.001","103.649","0.0013","13331.6","0.4","170","0.1","170.15","","","","","","","","","9","P -1","-P 1","2","","","","- C20 H50 Br2 Ge K5 Lu N2 O57 W11 -","- C20 H22 Br2 Ge K3.1 Lu N2 O52.4 W11 -","- C120 H132 Br12 Ge6 K18.6 Lu6 N12 O314.4 W66 -","6","3","","Bustamante-Fernández, Janire; Ruiz-Bilbao, Estibaliz; Rodríguez-Esteban, Corina; Gonidec, Mathieu; García, José A; Lezama, Luis; Gutiérrez-Zorrilla, Juan M; Oyarzabal, Itziar; Artetxe, Beñat","Effect of the heteroatom on the magnetic and luminescence properties of hybrid lanthanide-substituted Keggin-type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13330","13334","10.1039/d4dt01379d","","x-ray","0.71073","MoKα","","0.0876","0.0561","","","0.1423","0.1574","","","","","","1.024","","","","has coordinates","294546","2024-09-06","00:40:26",""
"7716721","21.8276","0.0003","24.7948","0.0004","28.4816","0.0004","113.273","0.0013","95.557","0.0011","103.659","0.0013","13444.1","0.4","170","0.1","170","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C20 H50 Br2 Dy Ge K5 N2 O57 W11 -","- C20 H22 Br2 Dy Ge K3.5 N2 O54 W11 -","- C120 H132 Br12 Dy6 Ge6 K21 N12 O324 W66 -","6","3","","Bustamante-Fernández, Janire; Ruiz-Bilbao, Estibaliz; Rodríguez-Esteban, Corina; Gonidec, Mathieu; García, José A; Lezama, Luis; Gutiérrez-Zorrilla, Juan M; Oyarzabal, Itziar; Artetxe, Beñat","Effect of the heteroatom on the magnetic and luminescence properties of hybrid lanthanide-substituted Keggin-type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13330","13334","10.1039/d4dt01379d","","x-ray","0.71073","MoKα","","0.16","0.0783","","","0.1825","0.2245","","","","","","1.037","","","","has coordinates","294546","2024-09-06","00:40:26",""
"7716722","21.8082","0.0003","24.7252","0.0004","28.3218","0.0004","114.157","0.0013","95.6577","0.0011","103.686","0.0012","13205.6","0.4","170","0.1","170","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C20 H50 Br2 Er Ge K5 N2 O57 W11 -","- C20 H22 Br2 Er Ge K3.7 N2 O56.1 W11 -","- C120 H132 Br12 Er6 Ge6 K22.2 N12 O336.6 W66 -","6","3","","Bustamante-Fernández, Janire; Ruiz-Bilbao, Estibaliz; Rodríguez-Esteban, Corina; Gonidec, Mathieu; García, José A; Lezama, Luis; Gutiérrez-Zorrilla, Juan M; Oyarzabal, Itziar; Artetxe, Beñat","Effect of the heteroatom on the magnetic and luminescence properties of hybrid lanthanide-substituted Keggin-type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13330","13334","10.1039/d4dt01379d","","x-ray","0.71073","MoKα","","0.1254","0.07","","","0.1717","0.1977","","","","","","1.061","","","","has coordinates","294546","2024-09-06","00:40:26",""
"7716723","21.875","0.0003","24.7768","0.0004","28.4883","0.0004","113.177","0.0013","95.5715","0.0011","103.706","0.0012","13473.3","0.4","170.01","0.1","170.01","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C20 H50 Br2 Ge K5 N2 O57 Tb W11 -","- C20 H22 Br2 Ge K4.1 N2 O56 Tb W11 -","- C120 H132 Br12 Ge6 K24.6 N12 O336 Tb6 W66 -","6","3","","Bustamante-Fernández, Janire; Ruiz-Bilbao, Estibaliz; Rodríguez-Esteban, Corina; Gonidec, Mathieu; García, José A; Lezama, Luis; Gutiérrez-Zorrilla, Juan M; Oyarzabal, Itziar; Artetxe, Beñat","Effect of the heteroatom on the magnetic and luminescence properties of hybrid lanthanide-substituted Keggin-type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13330","13334","10.1039/d4dt01379d","","x-ray","0.71073","MoKα","","0.1281","0.068","","","0.1655","0.1936","","","","","","1.059","","","","has coordinates","294546","2024-09-06","00:40:26",""
"7716724","21.7739","0.0004","24.6949","0.0004","28.2838","0.0004","114.051","0.0016","95.5598","0.0014","103.651","0.0015","13172.4","0.4","170.01","0.1","170.01","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C20 H50 Br2 Ge Ho K5 N2 O57 W11 -","- C20 H22 Br2 Ge Ho K3.6 N2 O54.8 W11 -","- C120 H132 Br12 Ge6 Ho6 K21.6 N12 O328.8 W66 -","6","3","","Bustamante-Fernández, Janire; Ruiz-Bilbao, Estibaliz; Rodríguez-Esteban, Corina; Gonidec, Mathieu; García, José A; Lezama, Luis; Gutiérrez-Zorrilla, Juan M; Oyarzabal, Itziar; Artetxe, Beñat","Effect of the heteroatom on the magnetic and luminescence properties of hybrid lanthanide-substituted Keggin-type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13330","13334","10.1039/d4dt01379d","","x-ray","0.71073","MoKα","","0.1565","0.0719","","","0.1717","0.2161","","","","","","1.034","","","","has coordinates","294546","2024-09-06","00:40:26",""
"7716725","21.7523","0.0003","24.7225","0.0004","28.3613","0.0004","113.655","0.0014","95.5392","0.0012","103.644","0.0014","13259.4","0.4","170","0.1","170","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C20 H50 Br2 Ge K5 N2 O57 Tm W11 -","- C20 H22 Br2 Ge K3.8 N2 O56 Tm W11 -","- C120 H132 Br12 Ge6 K22.8 N12 O336 Tm6 W66 -","6","3","","Bustamante-Fernández, Janire; Ruiz-Bilbao, Estibaliz; Rodríguez-Esteban, Corina; Gonidec, Mathieu; García, José A; Lezama, Luis; Gutiérrez-Zorrilla, Juan M; Oyarzabal, Itziar; Artetxe, Beñat","Effect of the heteroatom on the magnetic and luminescence properties of hybrid lanthanide-substituted Keggin-type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13330","13334","10.1039/d4dt01379d","","x-ray","0.71073","MoKα","","0.109","0.0606","","","0.1529","0.1753","","","","","","1.05","","","","has coordinates","294546","2024-09-06","00:40:26",""
"7716726","9.2674","0.0004","13.0873","0.0008","16.9891","0.0009","90","","90","","90","","2060.53","0.19","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 Br Cl O2 Ru -","- C23 H20 Br Cl O2 Ru -","- C92 H80 Br4 Cl4 O8 Ru4 -","4","1","","Bandopadhyay, Nilaj; Paramanik, Krishnendu; Sarkar, Gayetri; Roy, Suvojit; Panda, Subhra Jyoti; Purohit, Chandra Shekhar; Biswas, Bhaskar; Das, Hari Sankar","Phenalenyl-ruthenium synergism for effectual catalytic transformations of primary amines to amides.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13795","13804","10.1039/d4dt01760a","","x-ray","0.71073","MoKα","","0.0557","0.0384","","","0.0703","0.0746","","","","","","1.007","","","","has coordinates","294555","2024-09-06","00:43:25",""
"7716727","10.7306","0.0001","14.7096","0.0001","12.8533","0.0001","90","","105.416","0.001","90","","1955.81","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 Cl O2 Ru -","- C23 H21 Cl O2 Ru -","- C92 H84 Cl4 O8 Ru4 -","4","1","","Bandopadhyay, Nilaj; Paramanik, Krishnendu; Sarkar, Gayetri; Roy, Suvojit; Panda, Subhra Jyoti; Purohit, Chandra Shekhar; Biswas, Bhaskar; Das, Hari Sankar","Phenalenyl-ruthenium synergism for effectual catalytic transformations of primary amines to amides.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13795","13804","10.1039/d4dt01760a","","","1.54184","CuKα","","0.0687","0.0685","","","0.1722","0.1727","","","","","","1.098","","","","has coordinates","294555","2024-09-06","00:43:25",""
"7716728","12.7749","0.0004","10.758","0.0003","16.9453","0.0005","90","","101.721","0.003","90","","2280.27","0.12","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H25 Cl O2 Ru -","- C29 H25 Cl O2 Ru -","- C116 H100 Cl4 O8 Ru4 -","4","1","","Bandopadhyay, Nilaj; Paramanik, Krishnendu; Sarkar, Gayetri; Roy, Suvojit; Panda, Subhra Jyoti; Purohit, Chandra Shekhar; Biswas, Bhaskar; Das, Hari Sankar","Phenalenyl-ruthenium synergism for effectual catalytic transformations of primary amines to amides.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13795","13804","10.1039/d4dt01760a","","x-ray","1.54184","CuKα","","0.0301","0.0291","","","0.0771","0.0777","","","","","","1.058","","","","has coordinates","294555","2024-09-06","00:43:25",""
"7716729","7.9149","0.0008","18.466","0.002","11.1514","0.0011","90","","94.607","0.007","90","","1624.6","0.3","300","2","300","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 Br Cu N3 O3 -","- C15 H18 Br Cu N3 O3 -","- C60 H72 Br4 Cu4 N12 O12 -","4","1","","Das, Athulya; Sankaralingam, Muniyandi","Unravelling the mechanism of apoptosis induced by copper(II) complexes of NN<sub>2</sub>-pincer ligands in lung cancer cells.","Dalton transactions (Cambridge, England : 2003)","2024","53","34","14364","14377","10.1039/d4dt01075b","","","1.54178","CuKα","","0.2503","0.13","","","0.3196","0.403","","","","","","1.203","","","","has coordinates","294589","2024-09-06","00:59:45",""
"7716730","7.7233","0.0002","13.4308","0.0004","14.3953","0.0005","89.027","0.002","82.586","0.003","79.332","0.002","1455.11","0.08","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C34.33 H21.67 Cl N3 O3 Re -","- C32 H19 Cl N3 O3 Re -","- C64 H38 Cl2 N6 O6 Re2 -","2","1","","Kushwaha, Rajesh; Upadhyay, Aarti; Saha, Sukanta; Yadav, Ashish Kumar; Bera, Arpan; Dutta, Arnab; Banerjee, Samya","Cancer phototherapy by CO releasing terpyridine-based Re(I) tricarbonyl complexes <i>via</i> ROS generation and NADH oxidation.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13591","13601","10.1039/d4dt01309c","","","0.71073","MoKα","","0.0743","0.0508","","","0.107","0.1153","","","","","","1.044","","","","has coordinates","294545","2024-09-06","00:39:38",""
"7716731","11.5938","0.0002","11.5936","0.0003","15.8191","0.0003","90","","101.876","0.001","90","","2080.79","0.08","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 Cl N3 O3 Re -","- C24 H15 Cl N3 O3 Re -","- C96 H60 Cl4 N12 O12 Re4 -","4","1","","Kushwaha, Rajesh; Upadhyay, Aarti; Saha, Sukanta; Yadav, Ashish Kumar; Bera, Arpan; Dutta, Arnab; Banerjee, Samya","Cancer phototherapy by CO releasing terpyridine-based Re(I) tricarbonyl complexes <i>via</i> ROS generation and NADH oxidation.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13591","13601","10.1039/d4dt01309c","","","0.71073","MoKα","","0.0193","0.016","","","0.0324","0.0334","","","","","","1.032","","","","has coordinates","294545","2024-09-06","00:39:38",""
"7716732","14.0342","0.0003","12.2099","0.0002","37.0604","0.0009","90","","97.604","0.002","90","","6294.7","0.2","250.49","","250.49","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C128 H124 Co4 N16 O25 S8 -","- C128 H124 Co4 N16 O25 S8 -","- C256 H248 Co8 N32 O50 S16 -","2","0.25","","Saha, Subhajit; Diyali, Nilankar; Diyali, Sangharaj; Panda, Subhra Jyoti; Das, Mainak; Acharya, Sobhna; Mudi, Prafullya Kumar; Singh, Monika; Ray, Partha Pratim; Purohit, Chandra Shekhar; Biswas, Bhaskar","Decrypting the hydrogen evolution in alkaline water with novel magnetoactive cobalt(II) complex-driven cobalt oxide electrocatalysts.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13805","13814","10.1039/d4dt01358a","","x-ray","1.54184","CuKα","","0.0897","0.0693","","","0.182","0.2035","","","","","","1.06","","","","has coordinates","294550","2024-09-06","00:41:52",""
"7716733","15.8373","0.0005","19.2808","0.0005","15.9078","0.0005","90","","117.33","0.004","90","","4315.3","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H46 Cl Co2 N3 O14 -","- C46 H46 Cl Co2 N3 O14 -","- C184 H184 Cl4 Co8 N12 O56 -","4","1","","Saha, Subhajit; Diyali, Nilankar; Diyali, Sangharaj; Panda, Subhra Jyoti; Das, Mainak; Acharya, Sobhna; Mudi, Prafullya Kumar; Singh, Monika; Ray, Partha Pratim; Purohit, Chandra Shekhar; Biswas, Bhaskar","Decrypting the hydrogen evolution in alkaline water with novel magnetoactive cobalt(II) complex-driven cobalt oxide electrocatalysts.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13805","13814","10.1039/d4dt01358a","","x-ray","0.71073","MoKα","","0.0504","0.0365","","","0.08","0.0854","","","","","","1.064","","","","has coordinates,has disorder","294550","2024-09-06","00:41:52",""
"7716734","15.4431","0.0007","15.2942","0.0006","17.7753","0.0007","90","","104.262","0.001","90","","4068.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H40 Cl2 N2 Ni P2 -","- C47 H40 Cl2 N2 Ni P2 -","- C188 H160 Cl8 N8 Ni4 P8 -","4","1","","Mondal, Munmun; Mani, Ganesan","Copper(I) complexes bearing pyrrole-bridged S,N and N-donor ligands as catalysts for tandem hydroamination-alkynylation: effect of anions on product formation.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13996","14010","10.1039/d4dt01937g","","","0.71073","MoKα","","0.0647","0.0405","","","0.0881","0.0989","","","","","","1.019","","","","has coordinates","294549","2024-09-06","00:41:27",""
"7716735","9.5628","0.0003","17.611","0.0006","8.4952","0.0002","90","","97.189","0.001","90","","1419.43","0.07","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H40 Cl6 Cu2 N4 O4 -","- C16 H40 Cl6 Cu2 N4 O4 -","- C32 H80 Cl12 Cu4 N8 O8 -","2","0.5","","Mondal, Munmun; Mani, Ganesan","Copper(I) complexes bearing pyrrole-bridged S,N and N-donor ligands as catalysts for tandem hydroamination-alkynylation: effect of anions on product formation.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13996","14010","10.1039/d4dt01937g","","","0.71073","MoKα","","0.0495","0.0344","","","0.0796","0.0877","","","","","","1.037","","","","has coordinates","294549","2024-09-06","00:41:36",""
"7716736","12.2996","0.0013","13.4141","0.0014","14.7999","0.0017","107.311","0.007","108.334","0.007","99.319","0.007","2123.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H44 N2 Ni P2 -","- C53 H44 N2 Ni P2 -","- C106 H88 N4 Ni2 P4 -","2","1","","Mondal, Munmun; Mani, Ganesan","Copper(I) complexes bearing pyrrole-bridged S,N and N-donor ligands as catalysts for tandem hydroamination-alkynylation: effect of anions on product formation.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13996","14010","10.1039/d4dt01937g","","","0.71073","MoKα","","0.1616","0.0714","","","0.1196","0.1613","","","","","","1.011","","","","has coordinates,has disorder","294549","2024-09-06","00:41:37",""
"7716737","24.594","0.005","9.933","0.002","28.552","0.009","90","","94.19","0.006","90","","6956","3","143","2","143","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C84 H84 N4 Ni2 O P4 -","- C84 H84 N4 Ni2 O P4 -","- C336 H336 N16 Ni8 O4 P16 -","4","0.5","","Mondal, Munmun; Mani, Ganesan","Copper(I) complexes bearing pyrrole-bridged S,N and N-donor ligands as catalysts for tandem hydroamination-alkynylation: effect of anions on product formation.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13996","14010","10.1039/d4dt01937g","","","0.71073","MoKα","","0.0351","0.0302","","","0.0767","0.0802","","","","","","1.04","","","","has coordinates","294549","2024-09-06","00:41:37",""
"7716738","12.8416","0.0015","35.708","0.004","13.5064","0.0015","90","","115.652","0.004","90","","5582.9","1.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C138 H136 N4 Ni2 P4 -","- C138 H136 N4 Ni2 P4 -","- C276 H272 N8 Ni4 P8 -","2","0.5","","Mondal, Munmun; Mani, Ganesan","Copper(I) complexes bearing pyrrole-bridged S,N and N-donor ligands as catalysts for tandem hydroamination-alkynylation: effect of anions on product formation.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13996","14010","10.1039/d4dt01937g","","","0.71073","MoKα","","0.1851","0.0636","","","0.1321","0.1893","","","","","","1.007","","","","has coordinates","294549","2024-09-06","00:41:37",""
"7716739","13.178","0.002","16.184","0.002","17.888","0.003","68.459","0.006","78.918","0.007","70.131","0.006","3327.4","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H38 N2 Ni P2 -","- C39 H38 N2 Ni P2 -","- C156 H152 N8 Ni4 P8 -","4","2","","Mondal, Munmun; Mani, Ganesan","Copper(I) complexes bearing pyrrole-bridged S,N and N-donor ligands as catalysts for tandem hydroamination-alkynylation: effect of anions on product formation.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13996","14010","10.1039/d4dt01937g","","","0.71073","MoKα","","0.0629","0.0392","","","0.096","0.114","","","","","","1.015","","","","has coordinates,has disorder","294549","2024-09-06","00:41:37",""
"7716740","9.6539","0.0007","11.1929","0.0008","17.3192","0.0012","71.713","0.002","81.597","0.002","89.058","0.002","1757","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H49 N4 Ni O2 -","- C40 H49 N4 Ni O2 -","- C80 H98 N8 Ni2 O4 -","2","1","","Bhowmik, Saumitra; Sengupta, Arunava; Mukherjee, Rabindranath","Ni(II) and Pd(II) complexes of a new redox-active pentadentate azo-appended 2-aminophenol ligand: Pd(II)-assisted intraligand cyclization forms a phenoxazinyl ring.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","14046","14064","10.1039/d4dt01513d","","","0.71073","MoKα","","0.0764","0.0582","","","0.1304","0.1392","","","","","","1.114","","","","has coordinates","294562","2024-09-06","00:45:47",""
"7716741","9.6069","0.0009","11.3196","0.001","17.4614","0.0016","72.042","0.003","81.586","0.003","89.255","0.003","1785.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H49 N4 O2 Pd -","- C40 H49 N4 O2 Pd -","- C80 H98 N8 O4 Pd2 -","2","1","","Bhowmik, Saumitra; Sengupta, Arunava; Mukherjee, Rabindranath","Ni(II) and Pd(II) complexes of a new redox-active pentadentate azo-appended 2-aminophenol ligand: Pd(II)-assisted intraligand cyclization forms a phenoxazinyl ring.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","14046","14064","10.1039/d4dt01513d","","","0.71073","MoKα","","0.0472","0.0376","","","0.0824","0.0887","","","","","","1.074","","","","has coordinates","294562","2024-09-06","00:45:47",""
"7716742","13.9262","0.0009","18.0565","0.0011","18.0843","0.0018","103.105","0.002","112.102","0.002","110.877","0.002","3578.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H94 N8 O4 Pd2 -","- C80 H94 N8 O4 Pd2 -","- C160 H188 N16 O8 Pd4 -","2","1","","Bhowmik, Saumitra; Sengupta, Arunava; Mukherjee, Rabindranath","Ni(II) and Pd(II) complexes of a new redox-active pentadentate azo-appended 2-aminophenol ligand: Pd(II)-assisted intraligand cyclization forms a phenoxazinyl ring.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","14046","14064","10.1039/d4dt01513d","","","0.71073","MoKα","","0.0632","0.0421","","","0.0828","0.0929","","","","","","1.063","","","","has coordinates","294562","2024-09-06","00:45:47",""
"7716743","9.5233","0.0014","18.212","0.003","27.463","0.004","81.734","0.004","83.363","0.004","85.055","0.004","4670.3","1.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C84 H104 Cl8 F12 N8 Ni2 O4 Sb2 -","- C81 H98 Cl2 F12 N8 Ni2 O4 Sb2 -","- C162 H196 Cl4 F24 N16 Ni4 O8 Sb4 -","2","1","","Bhowmik, Saumitra; Sengupta, Arunava; Mukherjee, Rabindranath","Ni(II) and Pd(II) complexes of a new redox-active pentadentate azo-appended 2-aminophenol ligand: Pd(II)-assisted intraligand cyclization forms a phenoxazinyl ring.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","14046","14064","10.1039/d4dt01513d","","","0.71073","MoKα","","0.0513","0.0385","","","0.0903","0.0983","","","","","","1.032","","","","has coordinates,has disorder","294562","2024-09-06","00:45:47",""
"7716744","6.9354","0.0006","6.4697","0.001","14.1938","0.0017","90","","97.364","0.008","90","","631.62","0.14","120","","120","","","","","","","","","7","P 1 c 1","P -2yc","7","","PB-107","","- C8 H10 Cl Fe N2 O4 P -","- C8 H10 Cl Fe N2 O4 P -","- C16 H20 Cl2 Fe2 N4 O8 P2 -","2","1","","Brehm, Philipp C.; Schnakenburg, Gregor; Streubel, Rainer","Facile synthesis of five-membered cyclic RE<sub>2</sub>P-H iron(0) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13201","13206","10.1039/d4dt01313a","","","0.71073","MoKα","","0.021","0.0189","","","0.042","0.0429","","","","","","1.049","","","","has coordinates","294571","2024-09-06","00:52:37",""
"7716745","19.0115","0.0005","19.0115","0.0005","20.4834","0.0006","90","","90","","120","","6411.6","0.3","123","","123","","","","","","","","","6","R -3 :H","-R 3","148","","PB-272","","- C12 H11 Fe N2 O4 P -","- C12 H11 Fe N2 O4 P -","- C216 H198 Fe18 N36 O72 P18 -","18","1","","Brehm, Philipp C.; Schnakenburg, Gregor; Streubel, Rainer","Facile synthesis of five-membered cyclic RE<sub>2</sub>P-H iron(0) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13201","13206","10.1039/d4dt01313a","","","0.71073","MoKα","","0.0332","0.0236","","","0.0547","0.0563","","","","","","0.94","","","","has coordinates","294571","2024-09-06","00:52:37",""
"7716746","16.151","0.002","10.43","0.0012","6.819","0.0008","90","","90","","90","","1148.7","0.2","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","PB-138","","- C10 H5 Fe O6 P -","- C10 H5 Fe O6 P -","- C40 H20 Fe4 O24 P4 -","4","1","","Brehm, Philipp C.; Schnakenburg, Gregor; Streubel, Rainer","Facile synthesis of five-membered cyclic RE<sub>2</sub>P-H iron(0) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","31","13201","13206","10.1039/d4dt01313a","","","0.71073","MoKα","","0.04","0.0345","","","0.0702","0.0725","","","","","","1.024","","","","has coordinates","294571","2024-09-06","00:52:37",""
"7716747","16.854","0.008","4.578","0.002","18.262","0.009","90","","112.507","0.013","90","","1301.7","1.1","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C13 H12 Cl N3 O -","- C13 H12 Cl N3 O -","- C52 H48 Cl4 N12 O4 -","4","2","","Brahma, Rinki; Singh, Abhay Pratap; Baruah, Jubaraj Bikash","Synthesis and characterization of <i>cis</i> and <i>trans</i> cobalt(II) nalidixate complexes having a 1-(4-chlorophenyl)-3-(pyridin-4-ylmethyl)urea ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","35","14678","14691","10.1039/d4dt01401d","","","0.71073","MoKα","","0.0433","0.0339","","","0.0733","0.0793","","","","","","1.051","","","","has coordinates","295273","2024-10-06","08:09:58",""
"7716748","13.3053","0.0015","20.015","0.002","21.155","0.002","90","","90.54","0.003","90","","5633.4","1","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H46 Cl2 Co N10 O8 -","- C50 H46 Cl2 Co N10 O8 -","- C200 H184 Cl8 Co4 N40 O32 -","4","0.5","","Brahma, Rinki; Singh, Abhay Pratap; Baruah, Jubaraj Bikash","Synthesis and characterization of <i>cis</i> and <i>trans</i> cobalt(II) nalidixate complexes having a 1-(4-chlorophenyl)-3-(pyridin-4-ylmethyl)urea ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","35","14678","14691","10.1039/d4dt01401d","","","0.71073","MoKα","","0.0825","0.0561","","","0.1499","0.1897","","","","","","1.131","","","","has coordinates","295273","2024-10-06","08:09:58",""
"7716749","19.691","0.004","19.736","0.004","18.462","0.004","90","","107.852","0.006","90","","6829","2","296","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H60 Cl2 Co N12 O10 -","- C56 H60 Cl2 Co N12 O10 -","- C224 H240 Cl8 Co4 N48 O40 -","4","0.5","","Brahma, Rinki; Singh, Abhay Pratap; Baruah, Jubaraj Bikash","Synthesis and characterization of <i>cis</i> and <i>trans</i> cobalt(II) nalidixate complexes having a 1-(4-chlorophenyl)-3-(pyridin-4-ylmethyl)urea ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","35","14678","14691","10.1039/d4dt01401d","","","0.71073","MoKα","","0.0841","0.0636","","","0.1778","0.2169","","","","","","1.123","","","","has coordinates","295273","2024-10-06","08:09:58",""
"7716750","22.875","0.01","14.747","0.007","16.257","0.007","90","","91.125","0.008","90","","5483","4","123","0.1","123","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C58 H86 Mn2 N6 -","- C58 H86 Mn2 N6 -","- C232 H344 Mn8 N24 -","4","0.5","","Mehta, Gautam K.; Nguyen, Thao T.; Flores, Marco; Trovitch, Ryan J.","Manganese catalysed dehydrocoupling of silanes and siloxanes with ammonia to prepare oligosilazanes and polysiloxazanes.","Dalton transactions (Cambridge, England : 2003)","2024","53","34","14272","14277","10.1039/d4dt01982b","","","0.71073","MoKα","","0.063","0.049","","","0.1203","0.1273","","","","","","1.051","","","","has coordinates","294588","2024-09-06","00:59:34",""
"7716751","11.8472","0.0011","13.4093","0.0012","16.673","0.0015","76.964","0.002","75.349","0.002","86.149","0.002","2496.4","0.4","100","","100","","","","","","","","","10","P -1","-P 1","2","","","","- C55 H41 Au Cl2 F5 N O3 P2 Pt S -","- C55 H41 Au Cl2 F5 N O3 P2 Pt S -","- C110 H82 Au2 Cl4 F10 N2 O6 P4 Pt2 S2 -","2","1","","Marghalani, Rana; Cueny, Eric S.","Stability of metal-metal interactions in transmetallation intermediates based on electronics of bridging arene ligands determined through pyridine titrations.","Dalton transactions (Cambridge, England : 2003)","2024","53","47","18839","18844","10.1039/d4dt01828a","","","1.54178","CuKα","","0.0281","0.028","","","0.0724","0.0725","","","","","","1.125","","","","has coordinates","296574","2024-12-06","18:57:33",""
"7716752","12.9524","0.0011","10.4313","0.0009","9.065","0.0008","90","","108.793","0.004","90","","1159.48","0.18","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2 H12 Cu N8 O8 -","- C2 H12 Cu N8 O8 -","- C8 H48 Cu4 N32 O32 -","4","0.5","","Dong, Wen-Shuai; Mei, Hao-Zheng; Yu, Qi-Yao; Xu, Mei-Qi; Li, Zong-You; Zhang, Jian-Guo","Structure and performance regulation of energetic complexes through multifunctional molecular self-assembly.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13925","13932","10.1039/d4dt00830h","","","0.71073","MoKα","","0.0655","0.0489","","","0.1314","0.1433","","","","","","0.9737","","","","has coordinates","294556","2024-09-06","00:44:07",""
"7716753","21.9591","0.0019","35.049","0.003","7.6278","0.0007","90","","90","","90","","5870.7","0.9","298","2","298","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C2 H18 N10 Ni O8 -","- C2 H18 N10 Ni O8 -","- C32 H288 N160 Ni16 O128 -","16","1","","Dong, Wen-Shuai; Mei, Hao-Zheng; Yu, Qi-Yao; Xu, Mei-Qi; Li, Zong-You; Zhang, Jian-Guo","Structure and performance regulation of energetic complexes through multifunctional molecular self-assembly.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13925","13932","10.1039/d4dt00830h","","","0.71073","MoKα","","0.0459","0.0401","","","0.1024","0.105","","","","","","1.072","","","","has coordinates","294556","2024-09-06","00:44:09",""
"7716754","9.0943","0.0011","13.4408","0.0015","12.7697","0.0012","90","","105.08","0.004","90","","1507.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H18 Cu N8 O9 -","- C6 H18 Cu N8 O9 -","- C24 H72 Cu4 N32 O36 -","4","1","","Dong, Wen-Shuai; Mei, Hao-Zheng; Yu, Qi-Yao; Xu, Mei-Qi; Li, Zong-You; Zhang, Jian-Guo","Structure and performance regulation of energetic complexes through multifunctional molecular self-assembly.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13925","13932","10.1039/d4dt00830h","","","0.71073","MoKα","","0.0877","0.0558","","","0.1525","0.1702","","","","","","1.071","","","","has coordinates","294556","2024-09-06","00:44:09",""
"7716755","9.4361","0.0011","9.4361","0.0011","36.237","0.003","90","","90","","120","","2794.3","0.5","293","2","293","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C8 H24 N10 O8 Zn -","- C8 H24 N10 O8 Zn -","- C48 H144 N60 O48 Zn6 -","6","0.5","","Dong, Wen-Shuai; Mei, Hao-Zheng; Yu, Qi-Yao; Xu, Mei-Qi; Li, Zong-You; Zhang, Jian-Guo","Structure and performance regulation of energetic complexes through multifunctional molecular self-assembly.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13925","13932","10.1039/d4dt00830h","","","0.71073","MoKα","","0.0725","0.059","","","0.119","0.1258","","","","","","1.094","","","","has coordinates,has disorder","294556","2024-09-06","00:44:09",""
"7716756","18.6951","0.0016","18.6951","0.0016","9.6219","0.0007","90","","90","","120","","2912.4","0.4","293","2","293","2","","","","","","","","5","P 3 c 1","P 3 -2""c","158","","","","- C5 H18 N16 Ni O11 -","- C5 H18 N16 Ni O11 -","- C30 H108 N96 Ni6 O66 -","6","1","","Dong, Wen-Shuai; Mei, Hao-Zheng; Yu, Qi-Yao; Xu, Mei-Qi; Li, Zong-You; Zhang, Jian-Guo","Structure and performance regulation of energetic complexes through multifunctional molecular self-assembly.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13925","13932","10.1039/d4dt00830h","","","0.71073","MoKα","","0.1098","0.0805","","","0.203","0.2298","","","","","","1.083","","","","has coordinates","294556","2024-09-06","00:44:09",""
"7716757","18.751","0.0006","18.751","0.0006","9.6642","0.0004","90","","90","","120","","2942.7","0.18","119","2","119","2","","","","","","","","5","P 3 c 1","P 3 -2""c","158","","","","- C5 H18 Co N16 O11 -","- C5 H18 Co N16 O11 -","- C30 H108 Co6 N96 O66 -","6","1","","Dong, Wen-Shuai; Mei, Hao-Zheng; Yu, Qi-Yao; Xu, Mei-Qi; Li, Zong-You; Zhang, Jian-Guo","Structure and performance regulation of energetic complexes through multifunctional molecular self-assembly.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13925","13932","10.1039/d4dt00830h","","","0.71073","MoKα","","0.0718","0.0612","","","0.1599","0.1708","","","","","","1.074","","","","has coordinates","294556","2024-09-06","00:44:09",""
"7716758","18.9066","0.0017","7.4881","0.0009","21.104","0.003","90","","111.826","0.005","90","","2773.6","0.6","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C10 H26 Ag4 N14 O17 -","- C10 H26 Ag4 N14 O17 -","- C40 H104 Ag16 N56 O68 -","4","1","","Dong, Wen-Shuai; Mei, Hao-Zheng; Yu, Qi-Yao; Xu, Mei-Qi; Li, Zong-You; Zhang, Jian-Guo","Structure and performance regulation of energetic complexes through multifunctional molecular self-assembly.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13925","13932","10.1039/d4dt00830h","","","0.71073","MoKα","","0.0492","0.0362","","","0.0734","0.0789","","","","","","1.055","","","","has coordinates,has disorder","294556","2024-09-06","00:44:09",""
"7716759","36.583","0.003","36.583","0.003","28.975","0.003","90","","90","","120","","33582","5","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C36 H153 Mn8 N120 O77 -","- C36 H143 Mn8 N120 O72 -","- C324 H1287 Mn72 N1080 O648 -","9","1","","Dong, Wen-Shuai; Mei, Hao-Zheng; Yu, Qi-Yao; Xu, Mei-Qi; Li, Zong-You; Zhang, Jian-Guo","Structure and performance regulation of energetic complexes through multifunctional molecular self-assembly.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13925","13932","10.1039/d4dt00830h","","","0.71073","MoKα","","0.2089","0.1007","","","0.2252","0.272","","","","","","0.886","","","","has coordinates","294556","2024-09-06","00:44:09",""
"7716760","9.341","0.0009","9.341","0.0009","35.71","0.003","90","","90","","120","","2698.4","0.4","298","2","298.15","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C8 H24 N10 Ni O8 -","- C8 H24 N10 Ni O8 -","- C48 H144 N60 Ni6 O48 -","6","0.5","","Dong, Wen-Shuai; Mei, Hao-Zheng; Yu, Qi-Yao; Xu, Mei-Qi; Li, Zong-You; Zhang, Jian-Guo","Structure and performance regulation of energetic complexes through multifunctional molecular self-assembly.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13925","13932","10.1039/d4dt00830h","","","0.71073","MoKα","","0.0519","0.0495","","","0.1021","0.103","","","","","","1.0466","","","","has coordinates","294556","2024-09-06","00:44:09",""
"7716761","15.7568","0.0008","15.7568","0.0008","38.012","0.002","90","","90","","90","","9437.5","0.8","220","0.1","220","0.1","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C50 H48 Fe N6 O8 -","- C50 H36 Fe N6 O2 -","- C400 H288 Fe8 N48 O16 -","8","0.5","","Wang, Xuan; Zhang, Nan; Kou, Hui-Zhong","Substituent effects on spin-crossover Fe(II)N<sub>4</sub>O<sub>2</sub> pyrenylhydrazone complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16592","16597","10.1039/d4dt00904e","","x-ray","0.71073","MoKα","","0.1516","0.0969","","","0.2603","0.3004","","","","","","1.069","","","","has coordinates","296586","2024-12-06","19:02:31",""
"7716762","15.669","0.0006","15.669","0.0006","37.8269","0.0019","90","","90","","90","","9287.2","0.7","100.02","0.1","100.02","0.1","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C50 H48 Fe N6 O8 -","- C50 H36 Fe N6 O2 -","- C400 H288 Fe8 N48 O16 -","8","0.5","","Wang, Xuan; Zhang, Nan; Kou, Hui-Zhong","Substituent effects on spin-crossover Fe(II)N<sub>4</sub>O<sub>2</sub> pyrenylhydrazone complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16592","16597","10.1039/d4dt00904e","","x-ray","0.71073","MoKα","","0.127","0.0886","","","0.2039","0.227","","","","","","0.938","","","","has coordinates","296586","2024-12-06","19:02:31",""
"7716763","17.1295","0.0003","8.9127","0.0002","29.632","0.0005","90","","94.632","0.002","90","","4509.14","0.15","173","0.1","173","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H38 Br2 Fe N6 O4 -","- C52 H38 Br2 Fe N6 O4 -","- C208 H152 Br8 Fe4 N24 O16 -","4","1","","Wang, Xuan; Zhang, Nan; Kou, Hui-Zhong","Substituent effects on spin-crossover Fe(II)N<sub>4</sub>O<sub>2</sub> pyrenylhydrazone complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16592","16597","10.1039/d4dt00904e","","x-ray","1.54184","CuKα","","0.0688","0.0523","","","0.1236","0.1355","","","","","","1.046","","","","has coordinates","296586","2024-12-06","19:02:31",""
"7716764","16.7076","0.0004","8.9821","0.0002","28.5746","0.0009","90","","95.696","0.002","90","","4267","0.19","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H40 Fe N6 O4 -","- C52 H40 Fe N6 O4 -","- C208 H160 Fe4 N24 O16 -","4","1","","Wang, Xuan; Zhang, Nan; Kou, Hui-Zhong","Substituent effects on spin-crossover Fe(II)N<sub>4</sub>O<sub>2</sub> pyrenylhydrazone complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16592","16597","10.1039/d4dt00904e","","x-ray","1.54184","CuKα","","0.0807","0.0531","","","0.1079","0.1157","","","","","","1.236","","","","has coordinates","296586","2024-12-06","19:02:31",""
"7716765","16.9572","0.0005","8.8976","0.0002","29.1652","0.0007","90","","95.151","0.002","90","","4382.63","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 Fe N6 O4 -","- C54 H44 Fe N6 O4 -","- C216 H176 Fe4 N24 O16 -","4","1","","Wang, Xuan; Zhang, Nan; Kou, Hui-Zhong","Substituent effects on spin-crossover Fe(II)N<sub>4</sub>O<sub>2</sub> pyrenylhydrazone complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16592","16597","10.1039/d4dt00904e","","","1.54184","CuKα","","0.0683","0.0492","","","0.1187","0.1358","","","","","","1.061","","","","has coordinates","296586","2024-12-06","19:02:31",""
"7716766","17.2074","0.0004","8.9066","0.0002","29.2566","0.0007","90","","94.976","0.002","90","","4466.95","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 Fe N6 O4 -","- C54 H44 Fe N6 O4 -","- C216 H176 Fe4 N24 O16 -","4","1","","Wang, Xuan; Zhang, Nan; Kou, Hui-Zhong","Substituent effects on spin-crossover Fe(II)N<sub>4</sub>O<sub>2</sub> pyrenylhydrazone complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16592","16597","10.1039/d4dt00904e","","","1.54184","CuKα","","0.0936","0.0557","","","0.1466","0.1599","","","","","","1.282","","","","has coordinates","296586","2024-12-06","19:02:31",""
"7716767","29.8723","0.0012","14.9781","0.0005","25.2907","0.0008","90","","99.778","0.004","90","","11151.4","0.7","100","0.13","100","0.13","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H63 Cl2 Fe N11 O12 -","- C51 H57 Cl2 Fe N9 O8 -","- C408 H456 Cl16 Fe8 N72 O64 -","8","1","","Šagátová, Alexandra; Kotrle, Kamil; Brachňaková, Barbora; Havlíček, Lubomír; Nemec, Ivan; Herchel, Radovan; Hofbauerova, Monika; Halahovets, Yuriy; Šiffalovič, Peter; Čižmár, Erik; Fellner, Ondřej F; Šalitroš, Ivan","Above room temperature spin crossover in mononuclear iron(II) complexes featuring pyridyl-benzimidazole bidentate ligands adorned with aliphatic chains.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","14037","14045","10.1039/d4dt01338g","","x-ray","1.54184","CuKα","","0.1339","0.1035","","","0.2905","0.315","","","","","","1.079","","","","has coordinates,has disorder","294551","2024-09-06","00:42:15",""
"7716768","15.6483","0.0003","22.5038","0.0003","17.2162","0.0004","90","","116.119","0.003","90","","5443.5","0.2","200","0.2","200","0.2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C53 H57 F6 Fe N9 O6 S2 -","- C53 H57 F6 Fe N9 O6 S2 -","- C212 H228 F24 Fe4 N36 O24 S8 -","4","1","","Šagátová, Alexandra; Kotrle, Kamil; Brachňaková, Barbora; Havlíček, Lubomír; Nemec, Ivan; Herchel, Radovan; Hofbauerova, Monika; Halahovets, Yuriy; Šiffalovič, Peter; Čižmár, Erik; Fellner, Ondřej F; Šalitroš, Ivan","Above room temperature spin crossover in mononuclear iron(II) complexes featuring pyridyl-benzimidazole bidentate ligands adorned with aliphatic chains.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","14037","14045","10.1039/d4dt01338g","","","1.54184","CuKα","","0.055","0.051","","","0.1368","0.1401","","","","","","1.015","","","","has coordinates,has disorder","294551","2024-09-06","00:42:26",""
"7716769","14.58967","0.00013","15.0256","0.00017","25.1896","0.0003","90","","96.9658","0.001","90","","5481.27","0.1","90","2","90.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H69 Cl2 Fe N9 O8 -","- C57 H69 Cl2 Fe N9 O8 -","- C228 H276 Cl8 Fe4 N36 O32 -","4","1","","Šagátová, Alexandra; Kotrle, Kamil; Brachňaková, Barbora; Havlíček, Lubomír; Nemec, Ivan; Herchel, Radovan; Hofbauerova, Monika; Halahovets, Yuriy; Šiffalovič, Peter; Čižmár, Erik; Fellner, Ondřej F; Šalitroš, Ivan","Above room temperature spin crossover in mononuclear iron(II) complexes featuring pyridyl-benzimidazole bidentate ligands adorned with aliphatic chains.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","14037","14045","10.1039/d4dt01338g","","","1.54184","CuKα","","0.0416","0.0374","","","0.0913","0.0934","","","","","","1.023","","","","has coordinates,has disorder","294551","2024-09-06","00:42:27",""
"7716770","10.9798","0.0001","11.8879","0.0001","13.1624","0.0001","107.344","0.001","110.677","0.001","103.158","0.001","1423.71","0.03","89.9","0.3","90.15","","","","","","","","","7","P 1","P 1","1","","","","- C58 H72 B2 F8 Fe N10 O2 -","- C58 H72 B2 F8 Fe N10 O2 -","- C58 H72 B2 F8 Fe N10 O2 -","1","1","","Šagátová, Alexandra; Kotrle, Kamil; Brachňaková, Barbora; Havlíček, Lubomír; Nemec, Ivan; Herchel, Radovan; Hofbauerova, Monika; Halahovets, Yuriy; Šiffalovič, Peter; Čižmár, Erik; Fellner, Ondřej F; Šalitroš, Ivan","Above room temperature spin crossover in mononuclear iron(II) complexes featuring pyridyl-benzimidazole bidentate ligands adorned with aliphatic chains.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","14037","14045","10.1039/d4dt01338g","","","1.54184","CuKα","","0.0449","0.043","","","0.1145","0.1159","","","","","","1.062","","","","has coordinates","294551","2024-09-06","00:42:28",""
"7716771","17.5535","0.0003","16.313","0.0002","18.8082","0.0003","90","","101.225","0.0017","90","","5282.7","0.14","100","0.2","100.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H67 B2 F8 Fe N9 O -","- C55 H67 B2 F8 Fe N9 O -","- C220 H268 B8 F32 Fe4 N36 O4 -","4","1","","Šagátová, Alexandra; Kotrle, Kamil; Brachňaková, Barbora; Havlíček, Lubomír; Nemec, Ivan; Herchel, Radovan; Hofbauerova, Monika; Halahovets, Yuriy; Šiffalovič, Peter; Čižmár, Erik; Fellner, Ondřej F; Šalitroš, Ivan","Above room temperature spin crossover in mononuclear iron(II) complexes featuring pyridyl-benzimidazole bidentate ligands adorned with aliphatic chains.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","14037","14045","10.1039/d4dt01338g","","x-ray","1.54184","CuKα","","0.0626","0.057","","","0.1409","0.1445","","","","","","1.056","","","","has coordinates,has disorder","294551","2024-09-06","00:42:29",""
"7716772","9.5508","0.0004","10.8747","0.0005","16.511","0.0007","76.766","0.002","84.633","0.002","68.232","0.002","1550.22","0.12","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C70 H86 N10 -","- C70 H86 N10 -","- C70 H86 N10 -","1","1","","Navarro, Marta; Sobrino, Sonia; Fernández, Israel; Lara-Sánchez, Agustín; Garcés, Andrés; Sánchez-Barba, Luis F","Exploring enantiopure zinc-scorpionates as catalysts for the preparation of polylactides, cyclic carbonates, and polycarbonates.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13933","13949","10.1039/d4dt01526f","","","0.71073","MoKα","","0.0453","0.0394","","","0.1","0.1042","","","","","","1.024","","","","has coordinates","294558","2024-09-06","00:44:31",""
"7716773","7.501","0.0006","16.7642","0.0014","11.21","0.001","90","","93.792","0.003","90","","1406.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 F12 Fe N12 P2 -","- C20 H20 F12 Fe N12 P2 -","- C40 H40 F24 Fe2 N24 P4 -","2","0.5","","Gobbo, Alberto; Pereira, Sarah A. P.; Mota, Fátima A R; Sinenko, Irina; Glinkina, Kseniya; Rocchi, Dario; Guelfi, Massimo; Biver, Tarita; Donati, Chiara; Zacchini, Stefano; Saraiva, M Lúcia M F S; Dyson, Paul J.; Marchetti, Fabio","Anticancer potential of NSAID-derived tris(pyrazolyl)methane ligands in iron(II) sandwich complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13503","13514","10.1039/d4dt00920g","","","0.71073","MoKα","","0.1129","0.0638","","","0.1303","0.1434","","","","","","1.13","","","","has coordinates","294544","2024-09-06","00:39:29",""
"7716774","13.0977","0.0007","8.4764","0.0005","20.6292","0.0011","90","","94.579","0.002","90","","2283","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 N6 O2 -","- C24 H28 N6 O2 -","- C96 H112 N24 O8 -","4","1","","Gobbo, Alberto; Pereira, Sarah A. P.; Mota, Fátima A R; Sinenko, Irina; Glinkina, Kseniya; Rocchi, Dario; Guelfi, Massimo; Biver, Tarita; Donati, Chiara; Zacchini, Stefano; Saraiva, M Lúcia M F S; Dyson, Paul J.; Marchetti, Fabio","Anticancer potential of NSAID-derived tris(pyrazolyl)methane ligands in iron(II) sandwich complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13503","13514","10.1039/d4dt00920g","","","0.71073","MoKα","","0.0543","0.0498","","","0.1134","0.1157","","","","","","1.103","","","","has coordinates","294544","2024-09-06","00:39:29",""
"7716775","14.229","0.002","11.786","0.002","27.277","0.003","90","","93.07","0.02","90","","4567.9","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H64 Al2 N4 -","- C50 H64 Al2 N4 -","- C200 H256 Al8 N16 -","4","1","","Wang, Xiaobai; Ligorio, Raphael F.; Rüttger, Franziska; Krengel, David M. J.; Graw, Nico; Herbst-Irmer, Regine; Krawczuk, Anna; Stalke, Dietmar","Reducing hybrid ligand-based alane and chasing aluminium(I): dialane and unusual transient dialumene.","Dalton transactions (Cambridge, England : 2003)","2024","53","37","15441","15450","10.1039/d4dt01798f","","","0.71073","MoKα","","0.0572","0.0408","","","0.1023","0.1079","","","","","","1.111","","","","has coordinates","295244","2024-10-06","07:55:33",""
"7716776","13.176","0.002","22.183","0.002","28.27","0.003","87.9","0.02","77.9","0.02","78.68","0.03","7922","1.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C87 H121 Al2 N6 Na -","- C87 H121 Al2 N6 Na -","- C348 H484 Al8 N24 Na4 -","4","2","","Wang, Xiaobai; Ligorio, Raphael F.; Rüttger, Franziska; Krengel, David M. J.; Graw, Nico; Herbst-Irmer, Regine; Krawczuk, Anna; Stalke, Dietmar","Reducing hybrid ligand-based alane and chasing aluminium(I): dialane and unusual transient dialumene.","Dalton transactions (Cambridge, England : 2003)","2024","53","37","15441","15450","10.1039/d4dt01798f","","","0.71073","MoKα","","0.1011","0.0546","","","0.1169","0.1359","","","","","","1.014","","","","has coordinates,has disorder","295244","2024-10-06","07:55:33",""
"7716777","11.397","0.002","19.267","0.003","23.219","0.002","90","","102.8","0.02","90","","4971.9","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Al2 N4 O0.06 -","- C54 H72 Al2 N4 O0.055 -","- C216 H288 Al8 N16 O0.22 -","4","1","","Wang, Xiaobai; Ligorio, Raphael F.; Rüttger, Franziska; Krengel, David M. J.; Graw, Nico; Herbst-Irmer, Regine; Krawczuk, Anna; Stalke, Dietmar","Reducing hybrid ligand-based alane and chasing aluminium(I): dialane and unusual transient dialumene.","Dalton transactions (Cambridge, England : 2003)","2024","53","37","15441","15450","10.1039/d4dt01798f","","","0.71073","MoKα","","0.0418","0.0349","","","0.083","0.0884","","","","","","1.03","","","","has coordinates,has disorder","295244","2024-10-06","07:55:33",""
"7716778","13.678","0.002","24.176","0.003","41.39","0.004","87.42","0.02","81.81","0.02","83.7","0.02","13459","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C79.12 H88.88 Al2 N4 -","- C79.1165 H88.8835 Al2 N4 -","- C632.932 H711.068 Al16 N32 -","8","4","","Wang, Xiaobai; Ligorio, Raphael F.; Rüttger, Franziska; Krengel, David M. J.; Graw, Nico; Herbst-Irmer, Regine; Krawczuk, Anna; Stalke, Dietmar","Reducing hybrid ligand-based alane and chasing aluminium(I): dialane and unusual transient dialumene.","Dalton transactions (Cambridge, England : 2003)","2024","53","37","15441","15450","10.1039/d4dt01798f","","","0.71073","MoKα","","0.0832","0.0602","","","0.1547","0.1693","","","","","","1.043","","","","has coordinates,has disorder","295244","2024-10-06","07:55:33",""
"7716779","15.4786","0.0005","8.6447","0.0003","7.8443","0.0002","90","","92.835","0.001","90","","1048.34","0.06","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 N2 O4 -","- C22 H30 N2 O4 -","- C44 H60 N4 O8 -","2","0.5","","Patra, Arka; Das, Avijit; Sarkar, Abhimanyu; Gómez-García, Carlos J; Sinha, Chittaranjan","Tetranuclear Ni<sup>II</sup>-Mannich base complex with oxygenase, water splitting and ferromagnetic and antiferromagnetic coupling properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13515","13528","10.1039/d4dt01425a","","","0.71073","MoKα","","0.0487","0.0423","","","0.1204","0.1277","","","","","","1.133","","","","has coordinates","294535","2024-09-06","00:35:55",""
"7716780","13.3672","0.0011","13.5893","0.0011","15.9512","0.0013","90","","108.786","0.002","90","","2743.2","0.4","273","2","273.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H64 Cl3.7 N4 Ni4 O12 -","- C44 H64 Cl3.7 N4 Ni4 O12 -","- C88 H128 Cl7.4 N8 Ni8 O24 -","2","1","","Patra, Arka; Das, Avijit; Sarkar, Abhimanyu; Gómez-García, Carlos J; Sinha, Chittaranjan","Tetranuclear Ni<sup>II</sup>-Mannich base complex with oxygenase, water splitting and ferromagnetic and antiferromagnetic coupling properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13515","13528","10.1039/d4dt01425a","","","0.71073","MoKα","","0.0556","0.0458","","","0.1147","0.1233","","","","","","1.028","","","","has coordinates","294535","2024-09-06","00:35:56",""
"7716781","14.1447","0.0007","19.4035","0.0009","22.8651","0.001","90.197","0.001","106.129","0.001","98.544","0.001","5955","0.5","296","2","296.15","","","","","","","","","9","P -1","-P 1","2","","","","- C15 H103 N10 Na2 Ni13 O117.5 P2 Sb2 W23 -","- C15 H50 N10 Na2 Ni13 O109 P2 Sb2 W23 -","- C30 H100 N20 Na4 Ni26 O218 P4 Sb4 W46 -","2","1","","Zhang, Peng-Yun; Lian, Chen; Wang, Zhen-Wen; Chen, Juan; Lv, Hongjin; Yang, Guo-Yu","Two nickel-added poly(polyoxometalate)s built of Keggin-type {Ni<sub>6</sub>PW<sub>9</sub>} and Anderson-type NiW<sub>6</sub>O<sub>24</sub><i>via</i> WO<sub>4</sub>/Sb<sub>2</sub>O bridges and Ni-O-W linkages with efficient hydrogen evolution activity.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13409","13415","10.1039/d4dt00928b","","","0.71073","MoKα","","0.0624","0.0456","","","0.0951","0.1009","","","","","","1.034","","","","has coordinates,has disorder","294541","2024-09-06","00:38:54",""
"7716782","36.8164","0.001","29.8064","0.0008","25.4292","0.0007","90","","105.453","0.001","90","","26896.3","1.3","296","2","296.15","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C64 H490 N56 Ni55 O488 P8 Sb8 W92 -","- C64 H240 N56 Ni55 O408 P8 Sb8 W92 -","- C128 H480 N112 Ni110 O816 P16 Sb16 W184 -","2","0.5","","Zhang, Peng-Yun; Lian, Chen; Wang, Zhen-Wen; Chen, Juan; Lv, Hongjin; Yang, Guo-Yu","Two nickel-added poly(polyoxometalate)s built of Keggin-type {Ni<sub>6</sub>PW<sub>9</sub>} and Anderson-type NiW<sub>6</sub>O<sub>24</sub><i>via</i> WO<sub>4</sub>/Sb<sub>2</sub>O bridges and Ni-O-W linkages with efficient hydrogen evolution activity.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13409","13415","10.1039/d4dt00928b","","","0.71073","MoKα","","0.0638","0.0463","","","0.0978","0.1024","","","","","","1.037","","","","has coordinates","294541","2024-09-06","00:38:55",""
"7716783","14.258","0.0002","11.6722","0.0002","20.5507","0.0003","90","","106.841","0.002","90","","3273.41","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H64 N6 Ti -","- C30 H64 N6 Ti -","- C120 H256 N24 Ti4 -","4","1","","Rumi, Sultana P.; Zakharov, Lev N.; Desnoyer, Addison N.","A twist on a classic scaffold: rational design of a new bimetallic platform.","Dalton transactions (Cambridge, England : 2003)","2024","53","47","18828","18833","10.1039/d4dt01840k","","","1.54184","CuKα","","0.0544","0.0407","","","0.0874","0.1026","","","","","","1.078","","","","has coordinates","296569","2024-12-06","18:53:56",""
"7716784","9.1432","0.0002","11.1247","0.0004","13.5664","0.0005","100.118","0.003","97.314","0.002","90.882","0.002","1346.39","0.08","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H88 Li4 N6 O4 Si4 -","- C38 H88 Li4 N6 O4 Si4 -","- C38 H88 Li4 N6 O4 Si4 -","1","0.5","","Rumi, Sultana P.; Zakharov, Lev N.; Desnoyer, Addison N.","A twist on a classic scaffold: rational design of a new bimetallic platform.","Dalton transactions (Cambridge, England : 2003)","2024","53","47","18828","18833","10.1039/d4dt01840k","","","1.54184","CuKα","","0.0735","0.063","","","0.1799","0.2018","","","","","","1.006","","","","has coordinates","296569","2024-12-06","18:53:57",""
"7716785","9.0246","0.0002","33.0011","0.0007","11.1965","0.0002","90","","103.588","0.002","90","","3241.23","0.12","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H120 Li4 N6 O2 Si4 -","- C54 H120 Li4 N6 O2 Si4 -","- C108 H240 Li8 N12 O4 Si8 -","2","0.5","","Rumi, Sultana P.; Zakharov, Lev N.; Desnoyer, Addison N.","A twist on a classic scaffold: rational design of a new bimetallic platform.","Dalton transactions (Cambridge, England : 2003)","2024","53","47","18828","18833","10.1039/d4dt01840k","","","1.54184","CuKα","","0.1004","0.073","","","0.162","0.1837","","","","","","1.007","","","","has coordinates","296569","2024-12-06","18:53:57",""
"7716786","13.8754","0.0003","13.7638","0.0002","18.1998","0.0003","90","","111.737","0.002","90","","3228.62","0.11","172.99","0.1","172.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H114 N8 O2 Si4 Ti2 -","- C50 H114 N8 O2 Si4 Ti2 -","- C100 H228 N16 O4 Si8 Ti4 -","2","0.5","","Rumi, Sultana P.; Zakharov, Lev N.; Desnoyer, Addison N.","A twist on a classic scaffold: rational design of a new bimetallic platform.","Dalton transactions (Cambridge, England : 2003)","2024","53","47","18828","18833","10.1039/d4dt01840k","","x-ray","1.54184","CuKα","","0.0616","0.047","","","0.1001","0.1193","","","","","","1.051","","","","has coordinates,has disorder","296569","2024-12-06","18:53:57",""
"7716787","12.2464","0.0003","12.2692","0.0005","17.2053","0.0005","106.737","0.003","99.474","0.002","100.523","0.003","2368.36","0.14","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H80 Cl2 N6 Si4 V2 -","- C34 H80 Cl2 N6 Si4 V2 -","- C68 H160 Cl4 N12 Si8 V4 -","2","1","","Rumi, Sultana P.; Zakharov, Lev N.; Desnoyer, Addison N.","A twist on a classic scaffold: rational design of a new bimetallic platform.","Dalton transactions (Cambridge, England : 2003)","2024","53","47","18828","18833","10.1039/d4dt01840k","","","1.54184","CuKα","","0.0869","0.062","","","0.1638","0.1926","","","","","","1.03","","","","has coordinates,has disorder","296569","2024-12-06","18:53:57",""
"7716788","7.974","0.0002","12.5557","0.0003","16.7867","0.0003","99.871","0.002","98.47","0.002","97.611","0.002","1616.14","0.07","172.99","0.1","172.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H59 Cl N3 Si2 V -","- C26 H59 Cl N3 Si2 V -","- C52 H118 Cl2 N6 Si4 V2 -","2","1","","Rumi, Sultana P.; Zakharov, Lev N.; Desnoyer, Addison N.","A twist on a classic scaffold: rational design of a new bimetallic platform.","Dalton transactions (Cambridge, England : 2003)","2024","53","47","18828","18833","10.1039/d4dt01840k","","x-ray","1.54184","CuKα","","0.0452","0.0325","","","0.0786","0.0932","","","","","","1.058","","","","has coordinates","296569","2024-12-06","18:53:57",""
"7716789","10.3186","0.0003","11.5334","0.0004","13.9949","0.0003","97.96","0.002","98.394","0.002","100.035","0.003","1599.33","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H112 Li4 N6 O4 Si4 -","- C50 H112 Li4 N6 O4 Si4 -","- C50 H112 Li4 N6 O4 Si4 -","1","0.5","","Rumi, Sultana P.; Zakharov, Lev N.; Desnoyer, Addison N.","A twist on a classic scaffold: rational design of a new bimetallic platform.","Dalton transactions (Cambridge, England : 2003)","2024","53","47","18828","18833","10.1039/d4dt01840k","","","1.54184","CuKα","","0.1183","0.0826","","","0.2308","0.2722","","","","","","1.058","","","","has coordinates,has disorder","296569","2024-12-06","18:53:57",""
"7716790","10.23141","0.00011","12.9532","0.00014","14.56071","0.00017","91.9303","0.0009","98.1743","0.0009","100.355","0.0009","1875.53","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H26 O6 Pd -","- C16 H26 O6 Pd -","- C64 H104 O24 Pd4 -","4","2","","Butrymowicz-Kubiak, A; Muzioł, T M; Kaczmarek-Kędziera, A; Jureddy, C. S.; Maćkosz, K; Utke, I.; Szymańska, I B","New palladium(II) β-ketoesterates for focused electron beam induced deposition: synthesis, structures, and characterization.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13662","13677","10.1039/d4dt01287a","","x-ray","1.54184","CuKα","","0.0189","0.0184","","","0.05","0.0503","","","","","","1.052","","","","has coordinates","294548","2024-09-06","00:40:53",""
"7716791","7.0247","0.0002","8.6043","0.0003","11.5706","0.0004","89.994","0.003","80.18","0.003","79.606","0.003","677.46","0.04","100.15","","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H18 O6 Pd -","- C12 H18 O6 Pd -","- C24 H36 O12 Pd2 -","2","1","","Butrymowicz-Kubiak, A; Muzioł, T M; Kaczmarek-Kędziera, A; Jureddy, C. S.; Maćkosz, K; Utke, I.; Szymańska, I B","New palladium(II) β-ketoesterates for focused electron beam induced deposition: synthesis, structures, and characterization.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13662","13677","10.1039/d4dt01287a","","x-ray","1.54184","CuKα","","0.0286","0.0261","","","0.0746","0.0765","","","","","","1.092","","","","has coordinates","294548","2024-09-06","00:40:54",""
"7716792","4.35329","0.0001","10.3794","0.0003","17.7657","0.0005","90","","93.392","0.002","90","","801.33","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 O6 Pd -","- C14 H22 O6 Pd -","- C28 H44 O12 Pd2 -","2","0.5","","Butrymowicz-Kubiak, A; Muzioł, T M; Kaczmarek-Kędziera, A; Jureddy, C. S.; Maćkosz, K; Utke, I.; Szymańska, I B","New palladium(II) β-ketoesterates for focused electron beam induced deposition: synthesis, structures, and characterization.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13662","13677","10.1039/d4dt01287a","","x-ray","1.54184","CuKα","","0.0384","0.0346","","","0.0948","0.0981","","","","","","1.112","","","","has coordinates","294548","2024-09-06","00:40:54",""
"7716793","7.5237","0.0002","8.2475","0.0002","14.3873","0.0004","74.282","0.002","89.651","0.002","65.016","0.003","772.93","0.04","119.99","0.1","119.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H38 Cu2 F4 N2 O12 -","- C26 H38 Cu2 F4 N2 O12 -","- C26 H38 Cu2 F4 N2 O12 -","1","0.5","","Chauhan, Chetan; Tanuj, ?; Kumar, Rajesh; Kumar, Jitendra; Sharma, Subhash; Benmansour, Samia; Kumar, Santosh","Synthesis, structural characterization, DFT and molecular dynamics simulations of dinuclear (μ-hydroxo)-bridged triethanolamine copper(II) complexes: efficient candidates towards visible light-mediated photo-Fenton degradation of organic dyes.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13638","13661","10.1039/d4dt01463d","","x-ray","1.54184","CuKα","","0.0305","0.0266","","","0.0652","0.0668","","","","","","1.054","","","","has coordinates","294540","2024-09-06","00:38:34",""
"7716794","7.4656","0.0004","7.9965","0.0004","14.2307","0.0005","74.462","0.004","88.045","0.004","71.119","0.004","773.17","0.07","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H40 Cl2 Cu2 N2 O12 -","- C26 H40 Cl2 Cu2 N2 O12 -","- C26 H40 Cl2 Cu2 N2 O12 -","1","0.5","","Chauhan, Chetan; Tanuj, ?; Kumar, Rajesh; Kumar, Jitendra; Sharma, Subhash; Benmansour, Samia; Kumar, Santosh","Synthesis, structural characterization, DFT and molecular dynamics simulations of dinuclear (μ-hydroxo)-bridged triethanolamine copper(II) complexes: efficient candidates towards visible light-mediated photo-Fenton degradation of organic dyes.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13638","13661","10.1039/d4dt01463d","","x-ray","1.54184","CuKα","","0.0537","0.0493","","","0.1241","0.1334","","","","","","1.053","","","","has coordinates","294540","2024-09-06","00:38:35",""
"7716795","9.1604","0.0003","12.2855","0.0004","15.6941","0.0006","85.818","0.003","75.31","0.003","88.591","0.002","1703.9","0.1","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H50 Cu2 N2 O14 -","- C30 H50 Cu2 N2 O14 -","- C60 H100 Cu4 N4 O28 -","2","1","","Chauhan, Chetan; Tanuj, ?; Kumar, Rajesh; Kumar, Jitendra; Sharma, Subhash; Benmansour, Samia; Kumar, Santosh","Synthesis, structural characterization, DFT and molecular dynamics simulations of dinuclear (μ-hydroxo)-bridged triethanolamine copper(II) complexes: efficient candidates towards visible light-mediated photo-Fenton degradation of organic dyes.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13638","13661","10.1039/d4dt01463d","","x-ray","1.54184","CuKα","","0.071","0.0616","","","0.1664","0.1769","","","","","","1.012","","","","has coordinates","294540","2024-09-06","00:38:35",""
"7716796","9.84141","0.00005","8.20452","0.00006","18.14037","0.0001","90","","96.4651","0.0005","90","","1455.41","0.015","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 Cl2 N2 O Ru -","- C13 H18 Cl2 N2 O Ru -","- C52 H72 Cl8 N8 O4 Ru4 -","4","1","","Hacker, Ryan M.; Grimard, Daniela M.; Morgan, Katie A.; Saleh, Eaman; Wrublik, Morgan M.; Meiss, Cade J.; Kant, Caitlyn C.; Jones, Marjorie A.; Brennessel, William W.; Webb, Michael I.","Ru(II)-arene azole complexes as anti-amyloid-β agents.","Dalton transactions (Cambridge, England : 2003)","2024","53","47","18845","18855","10.1039/d4dt01740d","","x-ray","1.54184","CuKα","","0.0238","0.0232","","","0.0574","0.0578","","","","","","1.086","","","","has coordinates","296578","2024-12-06","18:58:49",""
"7716797","9.0105","0.0001","12.0582","0.0001","14.3101","0.0001","90","","90","","90","","1554.8","0.02","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 Cl2 N2 Ru S -","- C13 H18 Cl2 N2 Ru S -","- C52 H72 Cl8 N8 Ru4 S4 -","4","1","","Hacker, Ryan M.; Grimard, Daniela M.; Morgan, Katie A.; Saleh, Eaman; Wrublik, Morgan M.; Meiss, Cade J.; Kant, Caitlyn C.; Jones, Marjorie A.; Brennessel, William W.; Webb, Michael I.","Ru(II)-arene azole complexes as anti-amyloid-β agents.","Dalton transactions (Cambridge, England : 2003)","2024","53","47","18845","18855","10.1039/d4dt01740d","","x-ray","1.54184","CuKα","","0.0254","0.0252","","","0.0624","0.0624","","","","","","1.111","","","","has coordinates","296578","2024-12-06","18:58:50",""
"7716798","7.6534","0.0001","18.6246","0.0001","24.3077","0.0002","90","","90","","90","","3464.86","0.06","99.98","0.15","99.98","0.15","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H20 Cl2 N2 O Ru -","- C17 H20 Cl2 N2 O Ru -","- C136 H160 Cl16 N16 O8 Ru8 -","8","1","","Hacker, Ryan M.; Grimard, Daniela M.; Morgan, Katie A.; Saleh, Eaman; Wrublik, Morgan M.; Meiss, Cade J.; Kant, Caitlyn C.; Jones, Marjorie A.; Brennessel, William W.; Webb, Michael I.","Ru(II)-arene azole complexes as anti-amyloid-β agents.","Dalton transactions (Cambridge, England : 2003)","2024","53","47","18845","18855","10.1039/d4dt01740d","","x-ray","1.54184","CuKα","","0.0236","0.0225","","","0.0576","0.0582","","","","","","1.072","","","","has coordinates","296578","2024-12-06","18:58:50",""
"7716799","9.4047","0.0003","30.1693","0.001","18.1546","0.0007","90","","97.23","0.001","90","","5110.1","0.3","213","2","213.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H58 Cr2 N2 O8 P4 -","- C48 H58 Cr2 N2 O8 P4 -","- C192 H232 Cr8 N8 O32 P16 -","4","1","","Zhou, Tao; Zuo, Jing; Xie, Haojie; Zhao, Xing; Zhao, Mei-Xin; Zhang, Jun","Highly active chromium-based selective ethylene tri-/tetramerization catalysts supported by alkenylphosphanyl PNP ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","14011","14017","10.1039/d4dt01521e","","","0.71073","MoKα","","0.126","0.0759","","","0.1562","0.1846","","","","","","1.058","","","","has coordinates,has disorder","294561","2024-09-06","00:45:29",""
"7716800","9.2591","0.001","9.4253","0.001","14.7238","0.0016","98.62","0.003","106.401","0.003","97.569","0.003","1198","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H28 N4 O2 -","- C27 H28 N4 O2 -","- C54 H56 N8 O4 -","2","1","","Zardi, Paolo; Piękoś, A, Justyna; Bravin, Carlo; Wurst, Klaus; Droghetti, Federico; Natali, Mirco; Licini, Giulia; Zambon, Alfonso; Zonta, Cristiano","Novel ligands from direct benzylic functionalisation of tris(2-pyridylmethyl)amine.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13831","13836","10.1039/d4dt02022g","","","0.71073","MoKα","","0.0532","0.0475","","","0.1283","0.134","","","","","","1.066","","","","has coordinates","294553","2024-09-06","00:42:57",""
"7716801","12.6376","0.0008","12.1751","0.0008","19.8852","0.0015","90","","92.797","0.002","90","","3056","0.4","183","2","183","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C36 H34 N8 -","- C36 H34 N8 -","- C144 H136 N32 -","4","1","","Zardi, Paolo; Piękoś, A, Justyna; Bravin, Carlo; Wurst, Klaus; Droghetti, Federico; Natali, Mirco; Licini, Giulia; Zambon, Alfonso; Zonta, Cristiano","Novel ligands from direct benzylic functionalisation of tris(2-pyridylmethyl)amine.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13831","13836","10.1039/d4dt02022g","","","0.71073","MoKα","","0.0537","0.0393","","","0.0957","0.1007","","","","","","1.051","","","","has coordinates","294553","2024-09-06","00:42:57",""
"7716802","10.9097","0.0004","12.2695","0.0005","15.0501","0.0006","83.649","0.002","74.346","0.002","80.176","0.002","1906.95","0.13","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C86 H80 N18 O6 -","- C86 H80 N18 O6 -","- C86 H80 N18 O6 -","1","0.5","","Zardi, Paolo; Piękoś, A, Justyna; Bravin, Carlo; Wurst, Klaus; Droghetti, Federico; Natali, Mirco; Licini, Giulia; Zambon, Alfonso; Zonta, Cristiano","Novel ligands from direct benzylic functionalisation of tris(2-pyridylmethyl)amine.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13831","13836","10.1039/d4dt02022g","","","0.71073","MoKα","","0.0513","0.0402","","","0.1039","0.111","","","","","","1.032","","","","has coordinates","294553","2024-09-06","00:42:57",""
"7716803","7.3646","0.0006","9.4194","0.0008","11.4053","0.001","77.248","0.002","80.825","0.002","82.816","0.002","758.47","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 Al N2 O -","- C16 H19 Al N2 O -","- C32 H38 Al2 N4 O2 -","2","1","","Sumrit, Pattarawut; Kamavichanurat, Sirawan; Joopor, Wasan; Wattanathana, Worawat; Nakornkhet, Chutikan; Hormnirun, Pimpa","Aluminium complexes of phenoxy-azo ligands in the catalysis of <i>rac</i>-lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13854","13870","10.1039/d4dt01758g","","","1.54178","CuKα","","0.0316","0.0314","","","0.0825","0.0826","","","","","","1.065","","","","has coordinates","294552","2024-09-06","00:42:37",""
"7716804","12.4059","0.001","12.5243","0.0011","17.3816","0.0013","77.52","0.007","69.528","0.008","63.331","0.009","2255.3","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C80 H76 O30 Ti6 -","- C80 H76 O30 Ti6 -","- C80 H76 O30 Ti6 -","1","0.5","","Kubiak, Barbara; Muzioł, Tadeusz; Jabłoński, Mirosław; Radtke, Aleksandra; Piszczek, Piotr","Investigation of titanium(IV)-oxo complexes stabilized with α-hydroxy carboxylate ligands: structural analysis and DFT studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","34","14457","14468","10.1039/d4dt01710b","","x-ray","1.54184","CuKα","","0.1461","0.0941","","","0.2558","0.2977","","","","","","1.019","","","","has coordinates,has disorder","294591","2024-09-06","01:00:13",""
"7716805","22.4667","0.0004","12.6262","0.0002","23.073","0.0005","90","","106.004","0.0019","90","","6291.4","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C58 H86 O17 Ti4 -","- C58 H86 O17 Ti4 -","- C232 H344 O68 Ti16 -","4","0.5","","Kubiak, Barbara; Muzioł, Tadeusz; Jabłoński, Mirosław; Radtke, Aleksandra; Piszczek, Piotr","Investigation of titanium(IV)-oxo complexes stabilized with α-hydroxy carboxylate ligands: structural analysis and DFT studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","34","14457","14468","10.1039/d4dt01710b","","x-ray","1.54184","CuKα","","0.0498","0.0428","","","0.1131","0.1169","","","","","","1.095","","","","has coordinates,has disorder","294591","2024-09-06","01:00:14",""
"7716806","16.6526","0.0004","17.307","0.0003","27.5369","0.0008","90","","93.152","0.002","90","","7924.3","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Ir(PyBIm)(dmfp)~2~]PF~6~ \χdot H~2~O -[(2-(2-pyridyl)benzimidazole-κ^2^N,N?)-bis(3,5-dimethyl-1-phenyl-1H-pyrazole-κ^2^N,C)iridium(III)] hexafluorophosphate","","- C34 H31 F6 Ir N7 P -","- C34 H31 F6 Ir N7 P -","- C272 H248 F48 Ir8 N56 P8 -","8","2","","Masternak, Joanna; Okła, Karol; Kubas, Adam; Voller, Jiří; Kozlanská, Karolína; Zienkiewicz-Machnik, Małgorzata; Gilewska, Agnieszka; Sitkowski, Jerzy; Kamecka, Anna; Kazimierczuk, Katarzyna; Barszcz, Barbara","Synthesis, photophysical characterisation, quantum-chemical study and <i>in vitro</i> antiproliferative activity of cyclometalated Ir(III) complexes based on 3,5-dimethyl-1-phenyl-1<i>H</i>-pyrazole and N,N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","34","14438","14450","10.1039/d4dt01796j","","x-ray","0.71073","MoKα","","0.1053","0.0851","","","0.2545","0.2711","","","","","","1.062","","","","has coordinates","294587","2024-09-06","00:59:23",""
"7716807","13.3618","0.0016","17.088","0.002","17.841","0.002","90","","99.087","0.01","90","","4022.4","0.8","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[di(μ~2~-chlorido)-tetrakis(3,5-dimethyl-1-phenyl-1H-pyrazole-κ^2^N,C)\ diiridium(III)]","","- C44 H44 Cl2 Ir2 N8 -","- C44 H44 Cl2 Ir2 N8 -","- C176 H176 Cl8 Ir8 N32 -","4","0.5","","Masternak, Joanna; Okła, Karol; Kubas, Adam; Voller, Jiří; Kozlanská, Karolína; Zienkiewicz-Machnik, Małgorzata; Gilewska, Agnieszka; Sitkowski, Jerzy; Kamecka, Anna; Kazimierczuk, Katarzyna; Barszcz, Barbara","Synthesis, photophysical characterisation, quantum-chemical study and <i>in vitro</i> antiproliferative activity of cyclometalated Ir(III) complexes based on 3,5-dimethyl-1-phenyl-1<i>H</i>-pyrazole and N,N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","34","14438","14450","10.1039/d4dt01796j","","x-ray","1.54186","CuKα","","0.0428","0.0386","","","0.1035","0.1097","","","","","","1.156","","","","has coordinates","294587","2024-09-06","00:59:25",""
"7716808","12.1393","0.001","10.3689","0.001","12.588","0.0011","90","","97.228","0.007","90","","1571.9","0.2","120","2","120","2","","","","","","","","7","P 1 n 1","P -2yac","7","","[Ir(biim)(dmfp)~2~]PF~6~ \χdot H~2~O -[(2,2?-biimidazole-κ^2^N,N?)-bis(3,5-dimethyl-1-phenyl-1H-pyrazole-κ^2^N,C)iridium(III)] hexafluorophosphate monohydrate","","- C28 H29 F6 Ir N8 O P -","- C28 H29 F6 Ir N8 O P -","- C56 H58 F12 Ir2 N16 O2 P2 -","2","1","","Masternak, Joanna; Okła, Karol; Kubas, Adam; Voller, Jiří; Kozlanská, Karolína; Zienkiewicz-Machnik, Małgorzata; Gilewska, Agnieszka; Sitkowski, Jerzy; Kamecka, Anna; Kazimierczuk, Katarzyna; Barszcz, Barbara","Synthesis, photophysical characterisation, quantum-chemical study and <i>in vitro</i> antiproliferative activity of cyclometalated Ir(III) complexes based on 3,5-dimethyl-1-phenyl-1<i>H</i>-pyrazole and N,N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","34","14438","14450","10.1039/d4dt01796j","","x-ray","0.71073","MoKα","","0.0327","0.0317","","","0.0824","0.0832","","","","","","1.08","","","","has coordinates,has disorder","294587","2024-09-06","00:59:25",""
"7716809","10.4234","0.0005","20.1866","0.0007","17.661","0.0008","90","","105.374","0.004","90","","3583.1","0.3","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","[(di(2-pyridyl)ketone-κ^2^N,N')-bis(3,5-dimethyl-1-phenyl-1H-pyrazole-κ^2^N,\ C)iridium(III)] hexafluorophosphate dichloromethane hemisolvate","","- C67 H62 Cl2 F12 Ir2 N12 O2 P2 -","- C67 H62 Cl2 F12 Ir2 N12 O2 P2 -","- C134 H124 Cl4 F24 Ir4 N24 O4 P4 -","2","0.5","","Masternak, Joanna; Okła, Karol; Kubas, Adam; Voller, Jiří; Kozlanská, Karolína; Zienkiewicz-Machnik, Małgorzata; Gilewska, Agnieszka; Sitkowski, Jerzy; Kamecka, Anna; Kazimierczuk, Katarzyna; Barszcz, Barbara","Synthesis, photophysical characterisation, quantum-chemical study and <i>in vitro</i> antiproliferative activity of cyclometalated Ir(III) complexes based on 3,5-dimethyl-1-phenyl-1<i>H</i>-pyrazole and N,N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","34","14438","14450","10.1039/d4dt01796j","","x-ray","0.71073","MoKα","","0.0325","0.0303","","","0.0784","0.0802","","","","","","1.059","","","","has coordinates","294587","2024-09-06","00:59:25",""
"7716810","13.2812","0.0004","15.1399","0.0005","20.6038","0.0007","109.729","0.002","92.124","0.003","106.197","0.002","3705.3","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","TT-808","","- C70 H104 Cl4 N4 P2 Rh4 Se2 -","- C70 H104 Cl4 N4 P2 Rh4 Se2 -","- C140 H208 Cl8 N8 P4 Rh8 Se4 -","2","1","","Terschüren, Tatjana; Schnakenburg, Gregor; Streubel, Rainer","Tapping into the coordinative potential of a <i>C</i>-functional 1,4-diphosphabarrelene using two sets of complementary ligand centres.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13335","13339","10.1039/d4dt01817f","","x-ray","1.54186","CuKα","","0.0951","0.0697","","","0.1723","0.1874","","","","","","1.107","","","","has coordinates,has disorder","294547","2024-09-06","00:40:44",""
"7716811","9.5526","0.0007","15.9233","0.0012","23.092","0.002","90","","101.475","0.006","90","","3442.3","0.5","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","TT-893","","- C25 H48 B2 Cl2 N4 P2 Se2 -","- C25 H48 B2 Cl2 N4 P2 Se2 -","- C100 H192 B8 Cl8 N16 P8 Se8 -","4","1","","Terschüren, Tatjana; Schnakenburg, Gregor; Streubel, Rainer","Tapping into the coordinative potential of a <i>C</i>-functional 1,4-diphosphabarrelene using two sets of complementary ligand centres.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13335","13339","10.1039/d4dt01817f","","x-ray","1.54178","CuKα","","0.0856","0.0527","","","0.1219","0.1382","","","","","","1.021","","","","has coordinates,has disorder","294547","2024-09-06","00:40:44",""
"7716812","6.41538","0.00013","12.7348","0.0003","12.7219","0.0003","90","","90","","90","","1039.36","0.04","120","0.1","120","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C4 H14 Cl3 K N2 O -","- C4 H14 Cl3 K N2 O -","- C16 H56 Cl12 K4 N8 O4 -","4","0.5","","Li, Kai; Li, Zhi-Gang; Chen, Yong-Qiang; Li, Wei","B-site substitution effects on the mechanical properties of halide perovskites [C<sub>4</sub>H<sub>12</sub>N<sub>2</sub>][BCl<sub>3</sub>]·H<sub>2</sub>O (B = NH<sub>4</sub><sup>+</sup>; K<sup>+</sup>).","Dalton transactions (Cambridge, England : 2003)","2024","53","34","14451","14456","10.1039/d4dt01795a","","x-ray","1.54184","CuKα","","0.0384","0.0381","","","0.0961","0.0964","","","","","","1.207","","","","has coordinates","294584","2024-09-06","00:58:02",""
"7716813","10.7147","0.0002","37.1847","0.0006","14.7691","0.0002","90","","92.982","0.002","90","","5876.38","0.17","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H67 Cu2 N5 O13 -","- C52 H40 Cu2 N2 O10 -","- C208 H160 Cu8 N8 O40 -","4","1","","Edwards, Abigail; Elkins, Landon J.; Slebodnick, Carla; Wang, Jinglei; Zhang, Qiang; Makal, Tegan A.","Structural diversity and solvent-induced transformations of a copper-based metal-organic framework with highly aromatic ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","34","14496","14504","10.1039/d4dt02085e","","x-ray","1.54184","CuKα","","0.0698","0.0555","","","0.1421","0.1491","","","","","","1.048","","","","has coordinates","294583","2024-09-06","00:57:52",""
"7716814","10.4087","0.0003","36.7583","0.0008","15.4789","0.0004","90","","90","","90","","5922.3","0.3","99.9","0.3","99.9","0.3","","","","","","","","5","C c c m","-C 2 2c","66","","","","- C54 H52 Cu2 O15 S5 -","- C44 H22 Cu2 O10 -","- C176 H88 Cu8 O40 -","4","0.25","","Edwards, Abigail; Elkins, Landon J.; Slebodnick, Carla; Wang, Jinglei; Zhang, Qiang; Makal, Tegan A.","Structural diversity and solvent-induced transformations of a copper-based metal-organic framework with highly aromatic ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","34","14496","14504","10.1039/d4dt02085e","","x-ray","1.54184","CuKα","","0.0758","0.0671","","","0.1987","0.2056","","","","","","1.077","","","","has coordinates,has disorder","294583","2024-09-06","00:57:53",""
"7716815","11.3494","0.0003","36.6729","0.0003","14.775","0.0002","90","","90","","90","","6149.58","0.19","99.98","0.16","99.98","0.16","","","","","","","","5","C c c m","-C 2 2c","66","","","","- C59 H55 Cu2 N5 O15 -","- C44 H20 Cu2 O10 -","- C176 H80 Cu8 O40 -","4","0.25","","Edwards, Abigail; Elkins, Landon J.; Slebodnick, Carla; Wang, Jinglei; Zhang, Qiang; Makal, Tegan A.","Structural diversity and solvent-induced transformations of a copper-based metal-organic framework with highly aromatic ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","34","14496","14504","10.1039/d4dt02085e","","x-ray","1.54184","CuKα","","0.0957","0.091","","","0.2891","0.2989","","","","","","1.37","","","","has coordinates,has disorder","294583","2024-09-06","00:57:53",""
"7716816","38.9726","0.0006","24.8157","0.0005","13.8024","0.0002","90","","90","","90","","13348.7","0.4","100","0.2","100","0.2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C34 H39 N4 O8 Zn -","- C34 H39 N4 O8 Zn -","- C544 H624 N64 O128 Zn16 -","16","1","","Edwards, Abigail; Elkins, Landon J.; Slebodnick, Carla; Wang, Jinglei; Zhang, Qiang; Makal, Tegan A.","Structural diversity and solvent-induced transformations of a copper-based metal-organic framework with highly aromatic ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","34","14496","14504","10.1039/d4dt02085e","","x-ray","1.54184","CuKα","","0.0801","0.0762","","","0.2121","0.2194","","","","","","1.048","","","","has coordinates,has disorder","294583","2024-09-06","00:57:53",""
"7716817","19.1907","0.0003","14.79129","0.00019","22.8997","0.0006","90","","107.262","0.002","90","","6207.4","0.2","100","0.2","100","0.2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C60.5 H60.5 Cu2 N5.5 O15.5 -","- C44 H22 Cu2 O10 -","- C176 H88 Cu8 O40 -","4","1","","Edwards, Abigail; Elkins, Landon J.; Slebodnick, Carla; Wang, Jinglei; Zhang, Qiang; Makal, Tegan A.","Structural diversity and solvent-induced transformations of a copper-based metal-organic framework with highly aromatic ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","34","14496","14504","10.1039/d4dt02085e","","x-ray","0.71073","MoKα","","0.1418","0.1","","","0.2859","0.3179","","","","","","1.076","","","","has coordinates","294583","2024-09-06","00:57:53",""
"7716818","17.24","0.0003","11.9521","0.0002","21.5421","0.0004","90","","98.188","0.002","90","","4393.59","0.14","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C88 H80 Cl4 N16 O18 Zn2 -","- C88 H80 Cl4 N16 O18 Zn2 -","- C176 H160 Cl8 N32 O36 Zn4 -","2","0.5","","Jaswal, Vishakha; Pachisia, Sanya; Chaudhary, Jagrity; Rangan, Krishnan; Sarkar, Madhushree","Selective sensing of picric acid using a Zn(II)-metallacycle: experimental and theoretical validation of the sensing mechanism and quantitative analysis of sensitivity in contact mode detection.","Dalton transactions (Cambridge, England : 2003)","2024","53","35","14710","14724","10.1039/d4dt01771d","","x-ray","1.54184","CuKα","","0.0848","0.0614","","","0.1553","0.1672","","","","","","0.987","","","","has coordinates","295266","2024-10-06","08:08:06",""
"7716819","18.3692","0.0005","17.0513","0.0004","23.5281","0.0008","90","","90","","90","","7369.4","0.4","107","","107","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H31 Eu F2 N8 O11 -","- C34 H31 Eu F2 N8 O11 -","- C272 H248 Eu8 F16 N64 O88 -","8","1","","Avagyan, Nane A.; Lemport, Pavel S.; Polikovskiy, Trofim A.; Tsorieva, Alisia V.; Metlin, Mikhail T.; Taydakov, Ilya V.; Zonov, Roman V.; Lyssenko, Konstantin A.; Vokuev, Mikhail F.; Rodin, Igor A.; Tarasevich, Boris N.; Ustynyuk, Yuri A.; Nenajdenko, Valentine G.","4,7-Substituted 1,10-phenanthroline-2,9-dicarboxamides: photophysics of ligands and their complexes with the Eu-Gd-Tb triad.","Dalton transactions (Cambridge, England : 2003)","2024","53","34","14469","14480","10.1039/d4dt01698j","","x-ray","0.71073","MoKα","","0.0438","0.0334","","","0.0726","0.0796","","","","","","1.028","","","","has coordinates","294582","2024-09-06","00:57:29",""
"7716820","12.3294","0.0016","17.073","0.002","19.259","0.003","90","","102.892","0.003","90","","3951.8","0.9","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Eu N9 O11 -","- C36 H36 Eu N9 O11 -","- C144 H144 Eu4 N36 O44 -","4","1","","Avagyan, Nane A.; Lemport, Pavel S.; Polikovskiy, Trofim A.; Tsorieva, Alisia V.; Metlin, Mikhail T.; Taydakov, Ilya V.; Zonov, Roman V.; Lyssenko, Konstantin A.; Vokuev, Mikhail F.; Rodin, Igor A.; Tarasevich, Boris N.; Ustynyuk, Yuri A.; Nenajdenko, Valentine G.","4,7-Substituted 1,10-phenanthroline-2,9-dicarboxamides: photophysics of ligands and their complexes with the Eu-Gd-Tb triad.","Dalton transactions (Cambridge, England : 2003)","2024","53","34","14469","14480","10.1039/d4dt01698j","","","0.71073","MoKα","","0.0724","0.0518","","","0.1113","0.1249","","","","","","1.002","","","","has coordinates","294582","2024-09-06","00:57:31",""
"7716821","11.7783","0.0004","15.3608","0.0006","25.6294","0.001","90","","98.32","0.001","90","","4588.2","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H40 Cl2 Eu N11 O11 -","- C40 H40 Cl2 Eu N11 O11 -","- C160 H160 Cl8 Eu4 N44 O44 -","4","1","","Avagyan, Nane A.; Lemport, Pavel S.; Polikovskiy, Trofim A.; Tsorieva, Alisia V.; Metlin, Mikhail T.; Taydakov, Ilya V.; Zonov, Roman V.; Lyssenko, Konstantin A.; Vokuev, Mikhail F.; Rodin, Igor A.; Tarasevich, Boris N.; Ustynyuk, Yuri A.; Nenajdenko, Valentine G.","4,7-Substituted 1,10-phenanthroline-2,9-dicarboxamides: photophysics of ligands and their complexes with the Eu-Gd-Tb triad.","Dalton transactions (Cambridge, England : 2003)","2024","53","34","14469","14480","10.1039/d4dt01698j","","x-ray","0.71073","MoKα","","0.0537","0.037","","","0.0756","0.081","","","","","","1.019","","","","has coordinates","294582","2024-09-06","00:57:31",""
"7716822","8.7808","0.0002","11.9226","0.0003","15.5911","0.0004","94.55","","92.96","","93.46","","1621.51","0.07","100","2","100","","","","","","","","","8","P -1","-P 1","2","","","","- C31 H23 B Cl3 F4 Ir N4 S2 -","- C31 H23 B Cl3 F4 Ir N4 S2 -","- C62 H46 B2 Cl6 F8 Ir2 N8 S4 -","2","1","","Terpstra, Karna; Huang, Yiran; Na, Hanah; Sun, Liang; Gutierrez, Citlali; Yu, Zhengxin; Mirica, Liviu M.","2-Phenylbenzothiazolyl iridium complexes as inhibitors and probes of amyloid β aggregation.","Dalton transactions (Cambridge, England : 2003)","2024","53","34","14258","14264","10.1039/d4dt01691b","","x-ray","0.71073","MoKα","","0.0259","0.0255","","","0.0719","0.0721","","","","","","1.071","","","","has coordinates,has disorder","294592","2024-09-06","01:00:25",""
"7716823","9.115","0.0008","10.5354","0.0009","12.3958","0.0011","80.286","0.002","72.486","0.002","68.711","0.002","1055.35","0.16","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H38 N4 O4 Sn2 -","- C54 H38 N4 O4 Sn2 -","- C54 H38 N4 O4 Sn2 -","1","0.5","","Cantón-Díaz, Arelly M; Muñoz-Flores, Blanca M; Macías-Gamboa, Luis F; Moggio, Ivana; Arias, Eduardo; Turlakov, Gleb; Dias, H. V. Rasika; Colombo, Gioele; Brenna, Stefano; Jiménez-Pérez, Víctor M","Temperature-dependent photoluminescence down to 77 K of organotin molecular rotors: eco-friendly synthesis, photophysical characterization, X-ray structures, and DFT studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15010","15031","10.1039/d4dt01518e","","","0.71073","MoKα","","0.0239","0.0216","","","0.054","0.055","","","","","","1.057","","","","has coordinates","295257","2024-10-06","08:03:56",""
"7716824","14.1091","0.001","21.6813","0.0014","9.2066","0.0006","90","","101.065","0.002","90","","2764","0.3","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 N2 O4 Sn -","- C32 H24 N2 O4 Sn -","- C128 H96 N8 O16 Sn4 -","4","1","","Cantón-Díaz, Arelly M; Muñoz-Flores, Blanca M; Macías-Gamboa, Luis F; Moggio, Ivana; Arias, Eduardo; Turlakov, Gleb; Dias, H. V. Rasika; Colombo, Gioele; Brenna, Stefano; Jiménez-Pérez, Víctor M","Temperature-dependent photoluminescence down to 77 K of organotin molecular rotors: eco-friendly synthesis, photophysical characterization, X-ray structures, and DFT studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15010","15031","10.1039/d4dt01518e","","","0.71073","MoKα","","0.0453","0.0353","","","0.0826","0.0885","","","","","","1.108","","","","has coordinates,has disorder","295257","2024-10-06","08:03:57",""
"7716825","8.3143","0.0003","18.4365","0.0005","21.3177","0.0007","108.81","0.002","99.028","0.003","100.433","0.002","2959.58","0.18","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C26 H16 F6 Fe N4 O6 S4 -","- C26 H16 F6 Fe N4 O6 S4 -","- C104 H64 F24 Fe4 N16 O24 S16 -","4","2","","Keszei, Soma; Wang, Yiqing; Zhou, Haotian; Ollár, Tamás; Kováts, Éva; Frey, Krisztina; Tapasztó, Levente; Shen, Shaohua; Pap, József Sándor","Hydrogen evolution driven by heteroatoms of bidentate N-heterocyclic ligands in iron(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","35","14817","14829","10.1039/d4dt02081b","","x-ray","1.54184","CuKα","","0.0862","0.0629","","","0.1557","0.1734","","","","","","1.009","","","","has coordinates,has disorder","295265","2024-10-06","08:07:58",""
"7716826","14.2475","0.0003","10.38151","0.00015","33.0497","0.0005","90","","94.7685","0.0017","90","","4871.48","0.15","100.01","0.11","100.01","0.11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Zn3(-COO)6(DMF)2,","[Zn2(L)(DMF)]","","- C102 H106 N16 O16 Zn3 -","- C102 H106 N16 O16 Zn3 -","- C204 H212 N32 O32 Zn6 -","2","0.5","","Lancheros, Andrés; Goswami, Subhadip; Zarate, Ximena; Schott, Eduardo; Hupp, Joseph T.","Nitrogen-enriched flexible metal-organic framework for CO<sub>2</sub> adsorption.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","14028","14036","10.1039/d4dt01457j","","x-ray","0.71073","MoKα","","0.0879","0.0652","","","0.1723","0.1834","","","","","","1.066","","","","has coordinates,has disorder","294560","2024-09-06","00:45:17",""
"7716827","15.1239","0.0002","15.255","0.0003","29.044","0.0004","80.72","0.001","79.354","0.001","72.244","0.001","6232.31","0.18","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C117 H136 Br0 Cl I Li0 N6 O8 -","- C117 H136 Cl I N6 O8 -","- C234 H272 Cl2 I2 N12 O16 -","2","1","","Munasinghe, Vihanga K.; Tay, Hui Min; Manawadu, Dilhan; Pancholi, Jessica; Zhang, Zongyao; Beer, Paul D.","Lithium chloride selective ion-pair recognition by heteroditopic [2]rotaxanes.","Dalton transactions (Cambridge, England : 2003)","2024","53","34","14219","14225","10.1039/d4dt01807a","","","1.54184","CuKα","","0.0557","0.0492","","","0.1375","0.1441","","","","","","1.045","","","","has coordinates","294590","2024-09-06","00:59:56",""
"7716828","13.5052","0.0003","16.0286","0.0004","25.3258","0.0007","97.682","0.002","102.718","0.002","90.036","0.002","5297.2","0.2","100.01","0.11","100.01","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C59 H30.2 N14 Ni S4 -","- C44 H15.2 N11 Ni S4 -","- C176 H60.8 N44 Ni4 S16 -","4","2","","Nayak, Panisha; Singh, Ajit Kumar; Nayak, Manisha; Kar, Subhajit; Sahu, Kasturi; Meena, Kiran; Topwal, Dinesh; Indra, Arindam; Kar, Sanjib","Structural modification of nickel tetra(thiocyano)corroles during electrochemical water oxidation.","Dalton transactions (Cambridge, England : 2003)","2024","53","35","14922","14932","10.1039/d4dt01628a","","","0.71073","MoKα","","0.1171","0.0799","","","0.1983","0.2314","","","","","","1.0907","","","","has coordinates,has disorder","295272","2024-10-06","08:09:34",""
"7716829","14.58","0.001","15.8532","0.001","15.9538","0.001","64.536","0.002","81.865","0.002","70.873","0.002","3145.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C123 H106 Cl6 Ni10 S20 -","- C123 H106 Cl6 Ni10 S20 -","- C123 H106 Cl6 Ni10 S20 -","1","0.5","","Debnath, Suparno; Giri, Sandip; Mani, Ganesan","Selective synthesis of the missing tiara-like Ni<sub>10</sub>, Ni<sub>5</sub> and Ni<sub>6</sub> thiolates by the C-S bond cleavage of bis(thioether) molecules with a DFT study.","Dalton transactions (Cambridge, England : 2003)","2024","53","35","14875","14886","10.1039/d4dt02047b","","","0.71073","MoKα","","0.0484","0.0408","","","0.1093","0.116","","","","","","1.045","","","","has coordinates,has disorder","295267","2024-10-06","08:08:18",""
"7716830","17.0792","0.0006","12.2511","0.0005","33.0819","0.0012","90","","93.349","0.001","90","","6910.2","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70 H70 Ni5 S10 -","- C70 H70 Ni5 S10 -","- C280 H280 Ni20 S40 -","4","1","","Debnath, Suparno; Giri, Sandip; Mani, Ganesan","Selective synthesis of the missing tiara-like Ni<sub>10</sub>, Ni<sub>5</sub> and Ni<sub>6</sub> thiolates by the C-S bond cleavage of bis(thioether) molecules with a DFT study.","Dalton transactions (Cambridge, England : 2003)","2024","53","35","14875","14886","10.1039/d4dt02047b","","","0.71073","MoKα","","0.0391","0.027","","","0.0566","0.0609","","","","","","1.017","","","","has coordinates","295267","2024-10-06","08:08:20",""
"7716831","18.8191","0.0008","18.8191","0.0008","23.116","0.003","90","","90","","90","","8186.7","1.2","120","2","120","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C84 H84 Ni6 S12 -","- C84 H84 Ni6 S12 -","- C336 H336 Ni24 S48 -","4","0.5","","Debnath, Suparno; Giri, Sandip; Mani, Ganesan","Selective synthesis of the missing tiara-like Ni<sub>10</sub>, Ni<sub>5</sub> and Ni<sub>6</sub> thiolates by the C-S bond cleavage of bis(thioether) molecules with a DFT study.","Dalton transactions (Cambridge, England : 2003)","2024","53","35","14875","14886","10.1039/d4dt02047b","","","0.71073","MoKα","","0.027","0.0225","","","0.0516","0.0541","","","","","","1.089","","","","has coordinates","295267","2024-10-06","08:08:20",""
"7716832","9.5743","0.0004","10.8642","0.0003","13.1587","0.0005","69.84","0.001","76.071","0.001","80.548","0.001","1242.12","0.08","100","0.2","100","0.2","","","","","","","","7","P 1","P 1","1","","","","- C52 H50 Au Cl4 N O3 P2 -","- C52 H50 Au Cl4 N O3 P2 -","- C52 H50 Au Cl4 N O3 P2 -","1","1","","Gilpatrick, Sean T.; Obisesan, Oluwatosin A.; Parkin, Sean; Awuah, Samuel G.","Carbon-phosphorus stapled Au(I) anticancer agents <i>via</i> bisphosphine induced reductive elimination.","Dalton transactions (Cambridge, England : 2003)","2024","53","47","18974","18982","10.1039/d4dt01929f","","","0.71073","MoKα","","0.0258","0.0245","","","0.0425","0.0429","","","","","","0.974","","","","has coordinates,has disorder","296572","2024-12-06","18:55:43",""
"7716833","27.5637","0.0005","10.7433","0.0002","30.4501","0.0005","90","","104.352","0.001","90","","8735.6","0.3","100","0.2","100","0.2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H38 Au Cl2 N O P2 -","- C48 H38 Au Cl2 N O P2 -","- C384 H304 Au8 Cl16 N8 O8 P16 -","8","1","","Gilpatrick, Sean T.; Obisesan, Oluwatosin A.; Parkin, Sean; Awuah, Samuel G.","Carbon-phosphorus stapled Au(I) anticancer agents <i>via</i> bisphosphine induced reductive elimination.","Dalton transactions (Cambridge, England : 2003)","2024","53","47","18974","18982","10.1039/d4dt01929f","","","1.54178","CuKα","","0.0394","0.0386","","","0.0863","0.0874","","","","","","1.179","","","","has coordinates","296572","2024-12-06","18:55:44",""
"7716834","8.878","0.003","16.177","0.002","24.527","0.002","90","","91.897","0.016","90","","3520.6","1.3","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H45 Al Cl2 N2 -","- C39 H45 Al Cl2 N2 -","- C156 H180 Al4 Cl8 N8 -","4","1","","Ito, Shunichiro; Tanaka, Kazuo; Chujo, Yoshiki","Effects of a central element on the photoluminescence properties of β-diketiminate complexes composed of group 13 elements.","Dalton transactions (Cambridge, England : 2003)","2024","53","35","14858","14865","10.1039/d4dt01689k","","","0.71075","MoKα","","0.1302","0.1081","","","0.2582","0.2748","","","","","","1.084","","","","has coordinates","295262","2024-10-06","08:05:24",""
"7716835","11.2464","0.0003","16.2626","0.0003","19.9167","0.0004","90","","100.763","0.007","90","","3578.6","0.16","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H45 Cl2 In N2 -","- C39 H45 Cl2 In N2 -","- C156 H180 Cl8 In4 N8 -","4","1","","Ito, Shunichiro; Tanaka, Kazuo; Chujo, Yoshiki","Effects of a central element on the photoluminescence properties of β-diketiminate complexes composed of group 13 elements.","Dalton transactions (Cambridge, England : 2003)","2024","53","35","14858","14865","10.1039/d4dt01689k","","","0.71075","MoKα","","0.0309","0.0259","","","0.0601","0.0623","","","","","","1.065","","","","has coordinates","295262","2024-10-06","08:05:24",""
"7716836","11.2754","0.0004","16.0756","0.0005","19.9006","0.0006","90","","99.934","0.007","90","","3553.1","0.2","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H45 Cl2 Ga N2 -","- C39 H45 Cl2 Ga N2 -","- C156 H180 Cl8 Ga4 N8 -","4","1","","Ito, Shunichiro; Tanaka, Kazuo; Chujo, Yoshiki","Effects of a central element on the photoluminescence properties of β-diketiminate complexes composed of group 13 elements.","Dalton transactions (Cambridge, England : 2003)","2024","53","35","14858","14865","10.1039/d4dt01689k","","","0.71075","MoKα","","0.0884","0.0582","","","0.1432","0.2084","","","","","","1.214","","","","has coordinates","295262","2024-10-06","08:05:24",""
"7716837","12.2049","0.0002","14.8651","0.0003","7.6069","0.0001","90","","90","","90","","1380.1","0.04","100","2","100.01","0.15","","","","","","","","5","P b c n","-P 2n 2ab","60","4-aminopyridinium iodobismuthate","","","- C5 H6 Bi I4 N2 -","- C5 H6 Bi I4 N2 -","- C20 H24 Bi4 I16 N8 -","4","0.5","","Abdi, Gisya; Mazur, Tomasz; Kowalewska, Ewelina; Sławek, Andrzej; Marzec, Mateusz; Szaciłowski, Konrad","Memristive properties and synaptic plasticity in substituted pyridinium iodobismuthates.","Dalton transactions (Cambridge, England : 2003)","2024","53","35","14610","14622","10.1039/d4dt01946f","","x-ray","0.71073","MoKα","","0.0244","0.0202","","","0.0431","0.044","","","","","","1.08","","","","has coordinates","295271","2024-10-06","08:09:02",""
"7716838","17.9971","0.0006","20.3282","0.0007","13.9362","0.0004","90","","90","","90","","5098.5","0.3","130","2","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H22 Bi6 I0 N4 -","- C14 H22 Bi I5 N4 -","- C112 H176 Bi8 I40 N32 -","8","1","","Abdi, Gisya; Mazur, Tomasz; Kowalewska, Ewelina; Sławek, Andrzej; Marzec, Mateusz; Szaciłowski, Konrad","Memristive properties and synaptic plasticity in substituted pyridinium iodobismuthates.","Dalton transactions (Cambridge, England : 2003)","2024","53","35","14610","14622","10.1039/d4dt01946f","","","","","","","","","","","","","","","","","","","","","has coordinates","295271","2024-10-06","08:09:03",""
"7716839","9.2443","0.0001","10.6401","0.0001","37.94","0.0003","90","","90","","90","","3731.79","0.06","130","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 Bi2 I9 N2 -","- C18 H24 Bi2 I9 N3 -","- C72 H96 Bi8 I36 N12 -","4","1","","Abdi, Gisya; Mazur, Tomasz; Kowalewska, Ewelina; Sławek, Andrzej; Marzec, Mateusz; Szaciłowski, Konrad","Memristive properties and synaptic plasticity in substituted pyridinium iodobismuthates.","Dalton transactions (Cambridge, England : 2003)","2024","53","35","14610","14622","10.1039/d4dt01946f","","","","","","","","","","","","","","","","","","","","","has coordinates","295271","2024-10-06","08:09:03",""
"7716840","9.0579","0.0001","21.2344","0.0003","25.5964","0.0004","90","","96.504","0.001","90","","4891.5","0.12","100.01","0.1","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 Au N4 O S -","- C25 H27 Au N4 O S -","- C200 H216 Au8 N32 O8 S8 -","8","2","","Oliveira, Igor S.; Garcia, Marcus S. A.; Cassani, Natasha M.; Oliveira, Ana L. C.; Freitas, Lara C. F.; Bertolini, Vitor K. S.; Castro, Jennyfer; Clauss, Gustavo; Honorato, João; Gadelha, Fernanda R.; Miguel, Danilo C.; Jardim, Ana C. G.; Abbehausen, Camilla","Exploring antiviral and antiparasitic activity of gold N-heterocyclic carbenes with thiolate ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","47","18963","18973","10.1039/d4dt01879f","","","0.71073","MoKα","","0.0252","0.0193","","","0.0355","0.0365","","","","","","1.0301","","","","has coordinates","296573","2024-12-06","18:57:19",""
"7716841","8.655","0.0002","14.1032","0.0003","19.763","0.0004","90","","90","","90","","2412.33","0.09","99.99","0.1","99.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 Au N3 S2 -","- C24 H28 Au N3 S2 -","- C96 H112 Au4 N12 S8 -","4","1","","Oliveira, Igor S.; Garcia, Marcus S. A.; Cassani, Natasha M.; Oliveira, Ana L. C.; Freitas, Lara C. F.; Bertolini, Vitor K. S.; Castro, Jennyfer; Clauss, Gustavo; Honorato, João; Gadelha, Fernanda R.; Miguel, Danilo C.; Jardim, Ana C. G.; Abbehausen, Camilla","Exploring antiviral and antiparasitic activity of gold N-heterocyclic carbenes with thiolate ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","47","18963","18973","10.1039/d4dt01879f","","","0.71073","MoKα","","0.0215","0.0193","","","0.0398","0.041","","","","","","1.065","","","","has coordinates,has disorder","296573","2024-12-06","18:57:20",""
"7716842","11.1702","0.0012","15.1601","0.0017","17.1723","0.0019","86.211","0.003","76.397","0.002","81.795","0.003","2795.9","0.5","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C29.2 H32.8 Au N3 O1.2 S2 -","- C28 H28 Au N3 S2 -","- C112 H112 Au4 N12 S8 -","4","2","","Oliveira, Igor S.; Garcia, Marcus S. A.; Cassani, Natasha M.; Oliveira, Ana L. C.; Freitas, Lara C. F.; Bertolini, Vitor K. S.; Castro, Jennyfer; Clauss, Gustavo; Honorato, João; Gadelha, Fernanda R.; Miguel, Danilo C.; Jardim, Ana C. G.; Abbehausen, Camilla","Exploring antiviral and antiparasitic activity of gold N-heterocyclic carbenes with thiolate ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","47","18963","18973","10.1039/d4dt01879f","","","0.71073","MoKα","","0.0306","0.0207","","","0.0393","0.0417","","","","","","1.0041","","","","has coordinates","296573","2024-12-06","18:57:20",""
"7716843","8.3675","0.0001","16.1557","0.0002","19.6651","0.0003","99.07","0.001","101.772","0.001","101.63","0.001","2493.67","0.06","100","0.1","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C25.5 H29 Au N4 O0.5 S -","- C25.5 H29 Au N4 O0.5 S -","- C102 H116 Au4 N16 O2 S4 -","4","2","","Oliveira, Igor S.; Garcia, Marcus S. A.; Cassani, Natasha M.; Oliveira, Ana L. C.; Freitas, Lara C. F.; Bertolini, Vitor K. S.; Castro, Jennyfer; Clauss, Gustavo; Honorato, João; Gadelha, Fernanda R.; Miguel, Danilo C.; Jardim, Ana C. G.; Abbehausen, Camilla","Exploring antiviral and antiparasitic activity of gold N-heterocyclic carbenes with thiolate ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","47","18963","18973","10.1039/d4dt01879f","","","0.71073","MoKα","","0.0261","0.02","","","0.0408","0.0422","","","","","","1.023","","","","has coordinates","296573","2024-12-06","18:57:20",""
"7716844","10.1907","0.0002","24.2458","0.0004","15.4249","0.0003","90","","95.8494","0.0019","90","","3791.37","0.12","173.01","0.1","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H48 Fe N6 O2 -","- C42 H48 Fe N6 O2 -","- C168 H192 Fe4 N24 O8 -","4","1","","Hudson, Luke A.; Stroek, Wowa; Albrecht, Martin","Tailoring C-H amination activity <i>via</i> modification of the triazole-derived carbene ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","35","14795","14800","10.1039/d4dt01715c","","","0.71073","MoKα","","0.0655","0.0415","","","0.0936","0.0992","","","","","","1.028","","","","has coordinates","295269","2024-10-06","08:08:40",""
"7716845","12.26012","0.00012","34.8934","0.0003","8.50505","0.00008","90","","100.161","0.0008","90","","3581.37","0.06","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","LAH070","","- C38 H44 Fe N6 O2 -","- C38 H44 Fe N6 O2 -","- C152 H176 Fe4 N24 O8 -","4","1","","Hudson, Luke A.; Stroek, Wowa; Albrecht, Martin","Tailoring C-H amination activity <i>via</i> modification of the triazole-derived carbene ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","35","14795","14800","10.1039/d4dt01715c","","x-ray","0.71073","MoKα","","0.0263","0.0254","","","0.0655","0.066","","","","","","1.035","","","","has coordinates","295269","2024-10-06","08:08:40",""
"7716846","24.306","0.008","8.269","0.003","21.095","0.01","90","","90","","90","","4240","3","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C42 H34 Mn N12 O4 Zn2 -","- C42 H34 Mn N12 O4 Zn2 -","- C168 H136 Mn4 N48 O16 Zn8 -","4","0.5","","Dadmehr, Parvaneh; Bikas, Rahman; Lis, Tadeusz","Chemical CO2 fixation using a cyanido bridged heterometallic Zn(ii)–Mn(ii) 2D coordination polymer","Dalton Transactions","2024","53","36","15246","15257","10.1039/D4DT01630K","","","0.71073","MoKα","","0.1177","0.0597","","","0.1117","0.1323","","","","","","1.042","","","","has coordinates,has disorder","295252","2024-10-06","08:01:08",""
"7716847","8.5902","0.0018","12.838","0.003","17.558","0.004","90","","90","","90","","1936.3","0.8","80","2","80","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N5 O5 Zn -","- C19 H17 N5 O5 Zn -","- C76 H68 N20 O20 Zn4 -","4","1","","Dadmehr, Parvaneh; Bikas, Rahman; Lis, Tadeusz","Chemical CO2 fixation using a cyanido bridged heterometallic Zn(ii)–Mn(ii) 2D coordination polymer","Dalton Transactions","2024","53","36","15246","15257","10.1039/D4DT01630K","","","0.71073","MoKα","","0.0352","0.0329","","","0.0806","0.0821","","","","","","1.098","","","","has coordinates,has disorder","295252","2024-10-06","08:01:08",""
"7716848","24.344","0.006","8.2169","0.0018","21.057","0.006","90","","90","","90","","4212.1","1.8","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C41.49 H34 Cl0.51 Mn N11.49 O4 Zn2 -","- C41.488 H34 Cl0.512 Mn N11.488 O4 Zn2 -","- C165.952 H136 Cl2.048 Mn4 N45.952 O16 Zn8 -","4","0.5","","Dadmehr, Parvaneh; Bikas, Rahman; Lis, Tadeusz","Chemical CO2 fixation using a cyanido bridged heterometallic Zn(ii)–Mn(ii) 2D coordination polymer","Dalton Transactions","2024","53","36","15246","15257","10.1039/D4DT01630K","","","0.7107","MoKα","","0.0666","0.0464","","","0.0926","0.0998","","","","","","1.104","","","","has coordinates,has disorder","295252","2024-10-06","08:01:08",""
"7716849","8.7892","0.0019","13.133","0.003","16.077","0.004","90","","90","","90","","1855.7","0.7","80","2","80","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Br N4 O Zn -","- C18 H13 Br N4 O Zn -","- C72 H52 Br4 N16 O4 Zn4 -","4","1","","Dadmehr, Parvaneh; Bikas, Rahman; Lis, Tadeusz","Chemical CO2 fixation using a cyanido bridged heterometallic Zn(ii)–Mn(ii) 2D coordination polymer","Dalton Transactions","2024","53","36","15246","15257","10.1039/D4DT01630K","","","0.71073","MoKα","","0.2154","0.094","","","0.1313","0.1826","","","","","","0.963","","","","has coordinates","295252","2024-10-06","08:01:08",""
"7716850","14.446","0.004","5.5867","0.0018","21.823","0.006","90","","90","","90","","1761.2","0.9","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C10 H10 O4 -","- C10 H10 O4 -","- C80 H80 O32 -","8","2","","Dadmehr, Parvaneh; Bikas, Rahman; Lis, Tadeusz","Chemical CO2 fixation using a cyanido bridged heterometallic Zn(ii)–Mn(ii) 2D coordination polymer","Dalton Transactions","2024","53","36","15246","15257","10.1039/D4DT01630K","","x-ray","0.71073","MoKα","","0.0632","0.0557","","","0.1396","0.1438","","","","","","1.085","","","","has coordinates,has disorder","295252","2024-10-06","08:01:08",""
"7716851","12.444","0.0007","9.2235","0.0005","17.0951","0.0012","90","","107.306","0.003","90","","1873.3","0.2","280","","280","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Rb8 Sb4 Se14 Zn4 -","- Rb8 Sb4 Se14 Zn4 -","- Rb16 Sb8 Se28 Zn8 -","2","0.5","","Zhang, Lirong; Teri, Gele; Qi, Liming; Bai, Sagala; Liu, Xin; Baiyin, Menghe","Syntheses, crystal structure, and photoelectric properties of two selenoantimonates A-Zn-Sb-Se (A = Rb and Cs).","Dalton transactions (Cambridge, England : 2003)","2024","53","35","14735","14741","10.1039/d4dt01944j","","","0.71073","MoKα","","0.0636","0.0519","","","0.139","0.1501","","","","","","1.0269","","","","has coordinates","295264","2024-10-06","08:07:50",""
"7716852","12.7022","0.0019","9.3928","0.0013","17.516","0.003","90","","106.755","0.004","90","","2001.1","0.5","279","","279","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cs4 Sb2 Se7 Zn2 -","- Cs4 Sb2 Se7 Zn2 -","- Cs16 Sb8 Se28 Zn8 -","4","1","","Zhang, Lirong; Teri, Gele; Qi, Liming; Bai, Sagala; Liu, Xin; Baiyin, Menghe","Syntheses, crystal structure, and photoelectric properties of two selenoantimonates A-Zn-Sb-Se (A = Rb and Cs).","Dalton transactions (Cambridge, England : 2003)","2024","53","35","14735","14741","10.1039/d4dt01944j","","","0.71073","MoKα","","0.0588","0.0528","","","0.1392","0.1429","","","","","","1.0322","","","","has coordinates","295264","2024-10-06","08:07:50",""
"7716853","7.408","0.003","19.158","0.006","8.467","0.003","90","","111.839","0.011","90","","1115.4","0.7","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 F3 N8 O3 -","- C6 H9 F3 N7.969 O3 -","- C24 H36 F12 N31.876 O12 -","4","1","","Kumar, Parasar; Mathpati, Ramling S.; Ghule, Vikas D.; Dharavath, Srinivas","Synthesis of C-C bonded trifluoromethyl-based high-energy density materials <i>via</i> the ANRORC mechanism.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15324","15329","10.1039/d4dt02088j","","","0.71073","MoKα","","0.0648","0.046","","","0.1082","0.1191","","","","","","1.07","","","","has coordinates","295261","2024-10-06","08:05:10",""
"7716854","15.776","0.0015","7.3324","0.0006","7.5674","0.0008","90","","95.769","0.003","90","","870.93","0.14","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H2 F3 N5 O3 -","- C6 H2 F3 N5 O3 -","- C24 H8 F12 N20 O12 -","4","1","","Kumar, Parasar; Mathpati, Ramling S.; Ghule, Vikas D.; Dharavath, Srinivas","Synthesis of C-C bonded trifluoromethyl-based high-energy density materials <i>via</i> the ANRORC mechanism.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15324","15329","10.1039/d4dt02088j","","","0.71073","MoKα","","0.0423","0.0352","","","0.0831","0.0888","","","","","","1.1061","","","","has coordinates","295261","2024-10-06","08:05:10",""
"7716855","23.5693","0.0002","10.5159","0.0001","16.2352","0.0001","90","","101.975","0.001","90","","3936.37","0.06","100.3","0.8","100.3","0.8","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C34 H42 F6 In N6 O9 P -","- C34 H42 F6 In N6 O9 P -","- C136 H168 F24 In4 N24 O36 P4 -","4","1","","Lee, Kevin K.; Chakraborty, Mou; Hu, Aohan; Kanagasundaram, Thines; Thorek, Daniel L. J.; Wilson, Justin J.","Chelation of [<sup>111</sup>In]In<sup>3+</sup> with the dual-size-selective macrocycles py-macrodipa and py<sub>2</sub>-macrodipa.","Dalton transactions (Cambridge, England : 2003)","2024","53","35","14634","14647","10.1039/d4dt02146k","","x-ray","1.54184","CuKα","","0.0323","0.0308","","","0.0782","0.0793","","","","","","1.067","","","","has coordinates","295268","2024-10-06","08:08:29",""
"7716856","9.2106","0.0002","14.4787","0.0003","14.7558","0.0002","65.421","0.002","85.774","0.001","74.083","0.002","1719.05","0.07","100","0.4","100","0.4","","","","","","","","7","P -1","-P 1","2","","","","- C32 H40 F6 In N6 O8 P -","- C32 H40 F6 In N6 O8 P -","- C64 H80 F12 In2 N12 O16 P2 -","2","1","","Lee, Kevin K.; Chakraborty, Mou; Hu, Aohan; Kanagasundaram, Thines; Thorek, Daniel L. J.; Wilson, Justin J.","Chelation of [<sup>111</sup>In]In<sup>3+</sup> with the dual-size-selective macrocycles py-macrodipa and py<sub>2</sub>-macrodipa.","Dalton transactions (Cambridge, England : 2003)","2024","53","35","14634","14647","10.1039/d4dt02146k","","x-ray","1.54184","CuKα","","0.0376","0.0365","","","0.0969","0.0978","","","","","","1.09","","","","has coordinates,has disorder","295268","2024-10-06","08:08:29",""
"7716857","21.9928","0.0005","17.509","0.0004","17.8697","0.0004","90","","96.555","0.002","90","","6836.1","0.3","100.15","","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C76 H74 Al N2 Ni O2 P3 -","- C76 H74 Al N2 Ni O2 P3 -","- C304 H296 Al4 N8 Ni4 O8 P12 -","4","1","","Gonzalez, Aleida G.; Gonzalez, Fernando; De Leon, Edgardo; Birkhoff, Kaitlyn M.; Yruegas, Sam; Chen, Haoyuan; Shoshani, Manar M.","Synthesis and characterization of NiAl-hydride heterometallics: perturbing electron density within Al-H-Ni subunits.","Dalton transactions (Cambridge, England : 2003)","2024","53","47","18932","18945","10.1039/d4dt01786b","","","1.54184","CuKα","","0.1287","0.0672","","","0.1559","0.1814","","","","","","1.029","","","","has coordinates,has disorder","296575","2024-12-06","18:58:02",""
"7716858","13.395","0.0001","15.9482","0.0002","23.2712","0.0003","103.697","0.001","97.85","0.001","90.485","0.001","4780.4","0.1","101","1","101.15","","","","","","","","","7","P -1","-P 1","2","","","","- C96 H130 Al2 N4 Ni2 O5 P6 -","- C96 H130 Al2 N4 Ni2 O5 P6 -","- C192 H260 Al4 N8 Ni4 O10 P12 -","2","1","","Gonzalez, Aleida G.; Gonzalez, Fernando; De Leon, Edgardo; Birkhoff, Kaitlyn M.; Yruegas, Sam; Chen, Haoyuan; Shoshani, Manar M.","Synthesis and characterization of NiAl-hydride heterometallics: perturbing electron density within Al-H-Ni subunits.","Dalton transactions (Cambridge, England : 2003)","2024","53","47","18932","18945","10.1039/d4dt01786b","","","1.54184","CuKα","","0.0456","0.0378","","","0.0957","0.1003","","","","","","1.044","","","","has coordinates,has disorder","296575","2024-12-06","18:58:02",""
"7716859","17.4356","0.0002","48.598","0.0006","20.8299","0.0002","90","","90.369","0.001","90","","17649.5","0.3","100.02","0.16","100.02","0.16","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C204 H199 Al2 N4 Ni2 O4 P10 -","- C192 H187 Al2 N4 Ni2 O4 P10 -","- C768 H748 Al8 N16 Ni8 O16 P40 -","4","2","","Gonzalez, Aleida G.; Gonzalez, Fernando; De Leon, Edgardo; Birkhoff, Kaitlyn M.; Yruegas, Sam; Chen, Haoyuan; Shoshani, Manar M.","Synthesis and characterization of NiAl-hydride heterometallics: perturbing electron density within Al-H-Ni subunits.","Dalton transactions (Cambridge, England : 2003)","2024","53","47","18932","18945","10.1039/d4dt01786b","","x-ray","1.54184","CuKα","","0.0764","0.0623","","","0.1422","0.1496","","","","","","1.071","","","","has coordinates","296575","2024-12-06","18:58:02",""
"7716860","19.6897","0.0002","18.2605","0.0002","40.6637","0.0004","90","","100.044","0.001","90","","14396.3","0.3","100.01","0.11","100.01","0.11","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C65 H97 Al N4 Ni O4 P3 -","- C65 H98 Al N4 Ni O4 P3 -","- C520 H784 Al8 N32 Ni8 O32 P24 -","8","2","","Gonzalez, Aleida G.; Gonzalez, Fernando; De Leon, Edgardo; Birkhoff, Kaitlyn M.; Yruegas, Sam; Chen, Haoyuan; Shoshani, Manar M.","Synthesis and characterization of NiAl-hydride heterometallics: perturbing electron density within Al-H-Ni subunits.","Dalton transactions (Cambridge, England : 2003)","2024","53","47","18932","18945","10.1039/d4dt01786b","","x-ray","1.54184","CuKα","","0.0856","0.0737","","","0.1798","0.1877","","","","","","1.067","","","","has coordinates","296575","2024-12-06","18:58:02",""
"7716861","8.0729","0.0003","9.8805","0.0004","11.0153","0.0004","96.363","0.003","104.018","0.003","108.327","0.003","792.37","0.06","92","1","92","1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 O4 S2 -","- C18 H14 O4 S2 -","- C36 H28 O8 S4 -","2","1","","Mangue, Jordan; Wehrung, Iris; Pécaut, Jacques; Ménage, Stéphane; Orio, Maylis; Torelli, Stéphane","Bio-inspired copper complexes with Cu<sub>2</sub>S cores: (solvent) effects on oxygen reduction reactions.","Dalton transactions (Cambridge, England : 2003)","2024","53","37","15576","15582","10.1039/d4dt01629g","","x-ray","0.71073","MoKα","","0.0362","0.0312","","","0.0782","0.0805","","","","","","1.106","","","","has coordinates","295287","2024-10-06","08:30:38",""
"7716862","11.0301","0.0004","13.4863","0.0005","15.6024","0.0005","71.825","0.003","89.191","0.003","79.823","0.003","2168.36","0.14","150.1","0.5","150.1","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C40 H41 Cu2 F6 N4 O7 S3 -","- C40 H41 Cu2 F6 N4 O7 S3 -","- C80 H82 Cu4 F12 N8 O14 S6 -","2","1","","Mangue, Jordan; Wehrung, Iris; Pécaut, Jacques; Ménage, Stéphane; Orio, Maylis; Torelli, Stéphane","Bio-inspired copper complexes with Cu<sub>2</sub>S cores: (solvent) effects on oxygen reduction reactions.","Dalton transactions (Cambridge, England : 2003)","2024","53","37","15576","15582","10.1039/d4dt01629g","","x-ray","0.71073","MoKα","","0.0863","0.0574","","","0.1308","0.1463","","","","","","1.026","","","","has coordinates,has disorder","295287","2024-10-06","08:30:38",""
"7716863","10.9176","0.001","13.5362","0.0011","13.8789","0.0012","109.523","0.003","102.812","0.004","93.106","0.004","1866.6","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C62 H64 B2 Cl14 N6 O4 P2 Pt2 S2 -","- C62 H64 B2 Cl14 N6 O4 P2 Pt2 S2 -","- C62 H64 B2 Cl14 N6 O4 P2 Pt2 S2 -","1","0.5","","Reigosa-Chamorro, Francisco; Cordeiro, Sandra; Pereira, M. Teresa; Filipe, Beatriz; Baptista, Pedro V.; Fernandes, Alexandra R.; Vila, José M","Effect of mono- and dinuclear thiosemicarbazone platinacycles in the proliferation of a colorectal carcinoma cell line.","Dalton transactions (Cambridge, England : 2003)","2024","53","44","17803","17818","10.1039/d4dt01490a","","","0.71073","MoKα","","0.0848","0.0618","","","0.1241","0.1386","","","","","","1.073","","","","has coordinates","296503","2024-12-06","18:18:00",""
"7716864","14.9082","0.0005","19.3315","0.0008","20.7555","0.0008","90","","90","","90","","5981.7","0.4","100","","100","","","","","","","","","7","P c a n","-P 2n 2c","60","","","","- C46 H54 B4 N12 O14 Pt4 S4 -","- C46 H54 B4 N12 O14 Pt4 S4 -","- C184 H216 B16 N48 O56 Pt16 S16 -","4","0.5","","Reigosa-Chamorro, Francisco; Cordeiro, Sandra; Pereira, M. Teresa; Filipe, Beatriz; Baptista, Pedro V.; Fernandes, Alexandra R.; Vila, José M","Effect of mono- and dinuclear thiosemicarbazone platinacycles in the proliferation of a colorectal carcinoma cell line.","Dalton transactions (Cambridge, England : 2003)","2024","53","44","17803","17818","10.1039/d4dt01490a","","","0.71073","MoKα","","0.0632","0.0416","","","0.1059","0.1317","","","","","","1.1332","","","","has coordinates","296503","2024-12-06","18:18:00",""
"7716865","35.4113","0.0003","16.8031","0.0001","17.1648","0.0002","90","","103.897","0.001","90","","9914.44","0.16","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C H B Cl O -","- C2.49275 H3.47826 B0.57971 O0.231884 -","- C344 H480 B80 O32 -","138","17.25","","Liu, Jiayi; Fu, Meigui; Yuan, Shuai; Lin, Caixia; Yuan, Yaofeng","The synthesis and application of <i>o</i>-carborane-based macrocyclic arenes.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15316","15323","10.1039/d4dt02001d","","","1.54184","CuKα","","0.0654","0.0597","","","0.1706","0.1756","","","","","","1.044","","","","has coordinates,has disorder","295253","2024-10-06","08:01:30",""
"7716866","19.3942","0.0002","13.1304","0.0001","33.0142","0.0003","90","","96.091","0.001","90","","8359.72","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C H B Cl O -","- C2.11966 H2.46154 B0.683761 O0.273504 -","- C248 H288 B80 O32 -","117","29.25","","Liu, Jiayi; Fu, Meigui; Yuan, Shuai; Lin, Caixia; Yuan, Yaofeng","The synthesis and application of <i>o</i>-carborane-based macrocyclic arenes.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15316","15323","10.1039/d4dt02001d","","","1.54184","CuKα","","0.0899","0.0732","","","0.2255","0.2367","","","","","","1.066","","","","has coordinates","295253","2024-10-06","08:01:30",""
"7716867","12.83","0.0003","23.5152","0.0006","9.6411","0.0002","90","","99.705","0.002","90","","2867.09","0.12","102","0.3","102","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H37 Cl N6 O3 -","- C30 H37 Cl N6 O3 -","- C120 H148 Cl4 N24 O12 -","4","1","","O'Callaghan, Charley; Greenacre, Victoria K.; King, Rhys P.; Grigg, Julian; Herniman, Julie M.; McRobbie, Graeme; Reid, Gillian","Synthesis and properties of metal trifluoride complexes with amide-functionalised tacn macrocycles and radiofluorination of [GaF<sub>3</sub>(L1)] by <sup>18</sup>F/<sup>19</sup>F isotopic exchange.","Dalton transactions (Cambridge, England : 2003)","2024","53","35","14897","14909","10.1039/d4dt02074j","","x-ray","0.71073","MoKα","","0.0574","0.0377","","","0.0882","0.0953","","","","","","1.0239","","","","has coordinates","295263","2024-10-06","08:07:41",""
"7716868","17.0116","0.0005","12.0324","0.0003","17.3324","0.0006","90","","115.495","0.004","90","","3202.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31.5 H43 F3 Ga N6 O5 -","- C31.5 H43 F3 Ga N6 O5 -","- C126 H172 F12 Ga4 N24 O20 -","4","1","","O'Callaghan, Charley; Greenacre, Victoria K.; King, Rhys P.; Grigg, Julian; Herniman, Julie M.; McRobbie, Graeme; Reid, Gillian","Synthesis and properties of metal trifluoride complexes with amide-functionalised tacn macrocycles and radiofluorination of [GaF<sub>3</sub>(L1)] by <sup>18</sup>F/<sup>19</sup>F isotopic exchange.","Dalton transactions (Cambridge, England : 2003)","2024","53","35","14897","14909","10.1039/d4dt02074j","","x-ray","0.71073","MoKα","K-L~3~","0.0855","0.0527","","","0.1271","0.1468","","","","","","1.0622","","","","has coordinates,has disorder","295263","2024-10-06","08:07:41",""
"7716869","14.2596","0.0002","14.2596","0.0002","26.9863","0.0005","90","","90","","120","","4752.13","0.13","100","0.1","100","0.1","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C24 H48 F3 In N6 O3 -","- C24 H48 F3 In N6 O3 -","- C144 H288 F18 In6 N36 O18 -","6","0.333333","","O'Callaghan, Charley; Greenacre, Victoria K.; King, Rhys P.; Grigg, Julian; Herniman, Julie M.; McRobbie, Graeme; Reid, Gillian","Synthesis and properties of metal trifluoride complexes with amide-functionalised tacn macrocycles and radiofluorination of [GaF<sub>3</sub>(L1)] by <sup>18</sup>F/<sup>19</sup>F isotopic exchange.","Dalton transactions (Cambridge, England : 2003)","2024","53","35","14897","14909","10.1039/d4dt02074j","","x-ray","0.71073","MoKα","","0.0367","0.035","","","0.0945","0.0962","","","","","","1.0319","","","","has coordinates,has disorder","295263","2024-10-06","08:07:41",""
"7716870","33.4699","0.0007","33.4699","0.0007","10.3165","0.0002","90","","90","","120","","10008.6","0.4","100","","100","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C20 H34.13 F3 Ga N4 O1.07 -","- C20 H34 F3 Ga N4 O -","- C360 H612 F54 Ga18 N72 O18 -","18","1","","O'Callaghan, Charley; Greenacre, Victoria K.; King, Rhys P.; Grigg, Julian; Herniman, Julie M.; McRobbie, Graeme; Reid, Gillian","Synthesis and properties of metal trifluoride complexes with amide-functionalised tacn macrocycles and radiofluorination of [GaF<sub>3</sub>(L1)] by <sup>18</sup>F/<sup>19</sup>F isotopic exchange.","Dalton transactions (Cambridge, England : 2003)","2024","53","35","14897","14909","10.1039/d4dt02074j","","x-ray","0.71073","MoKα","","0.0174","0.0136","","","0.0264","0.027","","","","","","1.0314","","","","has coordinates","295263","2024-10-06","08:07:41",""
"7716871","20.4918","0.0005","14.3084","0.0002","20.9037","0.0005","90","","107.779","0.003","90","","5836.4","0.2","100.01","0.1","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H37 N7 O6 -","- C30 H37 N7 O6 -","- C240 H296 N56 O48 -","8","2","","O'Callaghan, Charley; Greenacre, Victoria K.; King, Rhys P.; Grigg, Julian; Herniman, Julie M.; McRobbie, Graeme; Reid, Gillian","Synthesis and properties of metal trifluoride complexes with amide-functionalised tacn macrocycles and radiofluorination of [GaF<sub>3</sub>(L1)] by <sup>18</sup>F/<sup>19</sup>F isotopic exchange.","Dalton transactions (Cambridge, England : 2003)","2024","53","35","14897","14909","10.1039/d4dt02074j","","","0.71073","MoKα","","0.0782","0.0526","","","0.108","0.1176","","","","","","1.016","","","","has coordinates,has disorder","295263","2024-10-06","08:07:41",""
"7716872","33.7472","0.0005","33.7472","0.0005","10.2893","0.0002","90","","90","","120","","10148.3","0.3","100","0.1","100","0.1","","","","","","","","6","R -3 :H","-R 3","148","","[FeF3(1,4-diisopropyl-7-phenylacetamide-1,4,7-triazacyclononane)]","","- C20 H34 F3 Fe N4 O -","- C20 H34 F3 Fe N4 O -","- C360 H612 F54 Fe18 N72 O18 -","18","1","","O'Callaghan, Charley; Greenacre, Victoria K.; King, Rhys P.; Grigg, Julian; Herniman, Julie M.; McRobbie, Graeme; Reid, Gillian","Synthesis and properties of metal trifluoride complexes with amide-functionalised tacn macrocycles and radiofluorination of [GaF<sub>3</sub>(L1)] by <sup>18</sup>F/<sup>19</sup>F isotopic exchange.","Dalton transactions (Cambridge, England : 2003)","2024","53","35","14897","14909","10.1039/d4dt02074j","","x-ray","0.71073","MoKα","","0.037","0.0275","","","0.0574","0.0614","","","","","","1.1033","","","","has coordinates","295263","2024-10-06","08:07:41",""
"7716873","9.4778","0.0006","18.2165","0.0012","21.7061","0.0014","90","","90.038","0.003","90","","3747.6","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C83 H60 Cl6 N2 O6 P4 W2 -","- C83 H60 Cl6 N2 O6 P4 W2 -","- C166 H120 Cl12 N4 O12 P8 W4 -","2","0.5","","Gao, Yifei; Yip, John H. K.; Lim, Eu Gene; Nguyen, Van Ha","<i>mer</i>-M(CO)<sub>3</sub>(PNP)<sup>0/+</sup> pincer complexes (M = W(0) or Re(I); PNP = 4,5-bis(diphenylphosphino)acridine): synthesis, spectroscopy and anti-Kasha emission.","Dalton transactions (Cambridge, England : 2003)","2024","53","37","15565","15575","10.1039/d4dt01899k","","","0.71073","MoKα","","0.0436","0.0359","","","0.084","0.0877","","","","","","1.233","","","","has coordinates","295245","2024-10-06","07:55:55",""
"7716874","11.8019","0.0006","17.4795","0.0008","19.5354","0.001","92.227","0.002","91.695","0.002","109.672","0.002","3788","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41.5 H31 Cl4 N O3.5 P2 Re -","- C41.5 H31 Cl4 N O3.5 P2 Re -","- C166 H124 Cl16 N4 O14 P8 Re4 -","4","2","","Gao, Yifei; Yip, John H. K.; Lim, Eu Gene; Nguyen, Van Ha","<i>mer</i>-M(CO)<sub>3</sub>(PNP)<sup>0/+</sup> pincer complexes (M = W(0) or Re(I); PNP = 4,5-bis(diphenylphosphino)acridine): synthesis, spectroscopy and anti-Kasha emission.","Dalton transactions (Cambridge, England : 2003)","2024","53","37","15565","15575","10.1039/d4dt01899k","","","0.71073","MoKα","","0.1014","0.0637","","","0.1252","0.1516","","","","","","1.072","","","","has coordinates,has disorder","295245","2024-10-06","07:55:55",""
"7716875","11.227","0.0004","31.2653","0.0009","14.0665","0.0005","90","","111.577","0.001","90","","4591.6","0.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","1","","- C54 H34 Cl2 N10 O2 S2 Zn -","- C54 H34 Cl2 N10 O2 S2 Zn -","- C216 H136 Cl8 N40 O8 S8 Zn4 -","4","1","","Birara, Sunita; Saini, Shalu; Majumder, Moumita; Tiwari, Shree Prakash; Metre, Ramesh K.","A solution-processable benzothiazole-substituted formazanate zinc(II) complex designed for a robust resistive memory device.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15338","15349","10.1039/d4dt01640h","","","0.71073","MoKα","","0.0459","0.0373","","","0.0887","0.0925","","","","","","1.05","","","","has coordinates","295255","2024-10-06","08:01:58",""
"7716876","11.4066","0.0007","17.3844","0.001","24.7532","0.0015","90","","90","","90","","4908.5","0.5","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H26 Cl N4 O3 Re -","- C24 H26 Cl N4 O3 Re -","- C192 H208 Cl8 N32 O24 Re8 -","8","1","","Le Garrec, Stéphen; Martins-Bessa, David; Wolff, Mariusz; Delavaux-Nicot, Béatrice; Mallet-Ladeira, Sonia; Serpentini, Charles-Louis; Benoist, Eric; Bedos-Belval, Florence; Fery-Forgues, Suzanne","Dinuclear tricarbonylrhenium(I) complexes: impact of regioisomerism on the photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16512","16529","10.1039/d4dt01907e","","","0.71073","MoKα","","0.0416","0.0233","","","0.0413","0.047","","","","","","1.084","","","","has coordinates,has disorder","296579","2024-12-06","18:59:29",""
"7716877","20.3002","0.0015","8.9187","0.0006","20.5373","0.0014","90","","116.516","0.003","90","","3327.2","0.4","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H46 N8 -","- C36 H46 N8 -","- C144 H184 N32 -","4","1","","Le Garrec, Stéphen; Martins-Bessa, David; Wolff, Mariusz; Delavaux-Nicot, Béatrice; Mallet-Ladeira, Sonia; Serpentini, Charles-Louis; Benoist, Eric; Bedos-Belval, Florence; Fery-Forgues, Suzanne","Dinuclear tricarbonylrhenium(I) complexes: impact of regioisomerism on the photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16512","16529","10.1039/d4dt01907e","","","0.71073","MoKα","","0.1034","0.062","","","0.1536","0.1798","","","","","","1.029","","","","has coordinates","296579","2024-12-06","18:59:30",""
"7716878","30.087","0.002","12.0833","0.0012","15.2938","0.0015","90","","95.995","0.003","90","","5529.7","0.9","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H50 Cl6 N8 O6 Re2 -","- C44 H50 Cl6 N8 O6 Re2 -","- C176 H200 Cl24 N32 O24 Re8 -","4","0.5","","Le Garrec, Stéphen; Martins-Bessa, David; Wolff, Mariusz; Delavaux-Nicot, Béatrice; Mallet-Ladeira, Sonia; Serpentini, Charles-Louis; Benoist, Eric; Bedos-Belval, Florence; Fery-Forgues, Suzanne","Dinuclear tricarbonylrhenium(I) complexes: impact of regioisomerism on the photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16512","16529","10.1039/d4dt01907e","","","0.71073","MoKα","","0.0722","0.0614","","","0.1515","0.1566","","","","","","1.185","","","","has coordinates,has disorder","296579","2024-12-06","18:59:30",""
"7716879","9.1394","0.0009","20.29","0.002","20.328","0.002","75.123","0.004","79.003","0.004","82.681","0.004","3564.1","0.6","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C75 H98 N16 O -","- C75 H98 N16 O -","- C150 H196 N32 O2 -","2","1","","Le Garrec, Stéphen; Martins-Bessa, David; Wolff, Mariusz; Delavaux-Nicot, Béatrice; Mallet-Ladeira, Sonia; Serpentini, Charles-Louis; Benoist, Eric; Bedos-Belval, Florence; Fery-Forgues, Suzanne","Dinuclear tricarbonylrhenium(I) complexes: impact of regioisomerism on the photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16512","16529","10.1039/d4dt01907e","","","0.71073","MoKα","","0.1263","0.0709","","","0.2011","0.239","","","","","","1.027","","","","has coordinates,has disorder","296579","2024-12-06","18:59:30",""
"7716880","17.99","0.005","7.8905","0.0019","24.355","0.006","90","","98.54","0.009","90","","3418.9","1.5","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 Cl2 Co N6 O4 -","- C34 H30 Cl2 Co N6 O4 -","- C136 H120 Cl8 Co4 N24 O16 -","4","1","","Perontsis, Spyros; Hatzidimitriou, Antonios G.; Psomas, George","Coordination compounds of cobalt(II) with carboxylate non-steroidal anti-inflammatory drugs: structure and biological profile.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15215","15235","10.1039/d4dt01846j","","","0.71073","MoKα","","0.0557","0.0368","","0.0637","0.0624","0.0624","","","","","","1","","","","has coordinates","295260","2024-10-06","08:04:57",""
"7716881","9.9854","0.0014","10.3306","0.0017","13.136","0.002","111.673","0.009","91.634","0.009","109.25","0.008","1171.3","0.3","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H44 Cl4 Co N6 O6 -","- C48 H44 Cl4 Co N6 O6 -","- C48 H44 Cl4 Co N6 O6 -","1","0.5","","Perontsis, Spyros; Hatzidimitriou, Antonios G.; Psomas, George","Coordination compounds of cobalt(II) with carboxylate non-steroidal anti-inflammatory drugs: structure and biological profile.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15215","15235","10.1039/d4dt01846j","","","0.71073","MoKα","","0.0682","0.0446","","0.081","0.0777","0.0777","","","","","","1.0001","","","","has coordinates","295260","2024-10-06","08:04:57",""
"7716882","37.393","0.002","9.5275","0.0005","9.8887","0.0005","90","","91.9463","0.0018","90","","3520.9","0.3","295","","295","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C61 H60 Cl8 Co2 N6 O15 -","- C61 H60 Cl8 Co2 N6 O15 -","- C122 H120 Cl16 Co4 N12 O30 -","2","0.25","","Perontsis, Spyros; Hatzidimitriou, Antonios G.; Psomas, George","Coordination compounds of cobalt(II) with carboxylate non-steroidal anti-inflammatory drugs: structure and biological profile.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15215","15235","10.1039/d4dt01846j","","","0.71073","MoKα","","0.0752","0.0578","","0.1433","0.1331","0.1331","","","","","","1","","","","has coordinates,has disorder","295260","2024-10-06","08:04:57",""
"7716883","19.151","0.003","7.9798","0.0012","22.577","0.004","90","","100.057","0.006","90","","3397.2","1","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 Co N6 O4 -","- C36 H36 Co N6 O4 -","- C144 H144 Co4 N24 O16 -","4","1","","Perontsis, Spyros; Hatzidimitriou, Antonios G.; Psomas, George","Coordination compounds of cobalt(II) with carboxylate non-steroidal anti-inflammatory drugs: structure and biological profile.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15215","15235","10.1039/d4dt01846j","","","0.71073","MoKα","","0.0881","0.0496","","0.081","0.0716","0.0716","","","","","","0.9999","","","","has coordinates","295260","2024-10-06","08:04:57",""
"7716884","31.461","0.019","7.752","0.005","21.744","0.013","90","","98.004","0.015","90","","5251","6","295","","295","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C55 H40 Co2 F4 N4 O7 -","- C55 H40 Co2 F4 N4 O7 -","- C220 H160 Co8 F16 N16 O28 -","4","0.5","","Perontsis, Spyros; Hatzidimitriou, Antonios G.; Psomas, George","Coordination compounds of cobalt(II) with carboxylate non-steroidal anti-inflammatory drugs: structure and biological profile.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15215","15235","10.1039/d4dt01846j","","","0.71073","MoKα","","0.0687","0.0515","","0.0879","0.0869","0.0869","","","","","","1","","","","has coordinates,has disorder","295260","2024-10-06","08:04:57",""
"7716885","9.4414","0.0008","12.2235","0.0013","17.5565","0.0018","102.832","0.006","97.905","0.005","107.314","0.005","1840.3","0.3","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 Co N4 O4 -","- C44 H40 Co N4 O4 -","- C88 H80 Co2 N8 O8 -","2","1","","Perontsis, Spyros; Hatzidimitriou, Antonios G.; Psomas, George","Coordination compounds of cobalt(II) with carboxylate non-steroidal anti-inflammatory drugs: structure and biological profile.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15215","15235","10.1039/d4dt01846j","","","0.71073","MoKα","","0.0708","0.0419","","0.0668","0.0551","0.0551","","","","","","1","","","","has coordinates","295260","2024-10-06","08:04:57",""
"7716886","11.3476","0.0008","21.4206","0.0015","14.9086","0.0009","90","","93.1479","0.0019","90","","3618.4","0.4","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 Cl2 Co N4 O4 -","- C42 H34 Cl2 Co N4 O4 -","- C168 H136 Cl8 Co4 N16 O16 -","4","1","","Perontsis, Spyros; Hatzidimitriou, Antonios G.; Psomas, George","Coordination compounds of cobalt(II) with carboxylate non-steroidal anti-inflammatory drugs: structure and biological profile.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15215","15235","10.1039/d4dt01846j","","","0.71073","MoKα","","0.0815","0.0465","","0.0688","0.0589","0.0589","","","","","","1","","","","has coordinates","295260","2024-10-06","08:04:57",""
"7716887","12.7879","0.0016","28.495","0.004","10.0793","0.0015","90","","94.441","0.004","90","","3661.8","0.9","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H38 Co N2 O6 -","- C42 H38 Co N2 O6 -","- C168 H152 Co4 N8 O24 -","4","1","","Perontsis, Spyros; Hatzidimitriou, Antonios G.; Psomas, George","Coordination compounds of cobalt(II) with carboxylate non-steroidal anti-inflammatory drugs: structure and biological profile.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15215","15235","10.1039/d4dt01846j","","","0.71073","MoKα","","0.0724","0.0566","","0.0856","0.0844","0.0844","","","","","","0.9998","","","","has coordinates,has disorder","295260","2024-10-06","08:04:57",""
"7716888","11.4779","0.0005","12.8869","0.0007","14.3534","0.0008","81.222","0.004","87.557","0.004","67.474","0.003","1937.84","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C77.95 H101.89 Cl2 Cr2 N9.98 O9.98 -","- C77.952 H101.888 Cl2 Cr2 N9.984 O9.984 -","- C77.952 H101.888 Cl2 Cr2 N9.984 O9.984 -","1","0.5","","Moberg, Megan E.; Reid, Amelia G.; Dickie, Diane A.; Machan, Charles W.","Pre-equilibrium reactions involving pendent relays improve CO<sub>2</sub> reduction mediated by molecular Cr-based electrocatalysts.","Dalton transactions (Cambridge, England : 2003)","2024","53","41","16849","16860","10.1039/d4dt01981d","","","1.54178","CuKα","","0.1143","0.0882","","","0.2463","0.2707","","","","","","1.054","","","","has coordinates,has disorder","296509","2024-12-06","18:20:33",""
"7716889","10.2564","0.0011","12.7752","0.0013","18.0002","0.0017","76.384","0.003","77.776","0.003","68.844","0.003","2116.7","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H116 Cl2 Cr2 N12 O12 -","- C84 H116 Cl2 Cr2 N12 O12 -","- C84 H116 Cl2 Cr2 N12 O12 -","1","0.5","","Moberg, Megan E.; Reid, Amelia G.; Dickie, Diane A.; Machan, Charles W.","Pre-equilibrium reactions involving pendent relays improve CO<sub>2</sub> reduction mediated by molecular Cr-based electrocatalysts.","Dalton transactions (Cambridge, England : 2003)","2024","53","41","16849","16860","10.1039/d4dt01981d","","","0.71073","MoKα","","0.1162","0.0844","","","0.2254","0.2563","","","","","","1.073","","","","has coordinates,has disorder","296509","2024-12-06","18:20:34",""
"7716890","10.5515","0.0011","2.8842","0.0003","6.0965","0.0007","90","","91.121","0.009","90","","185.5","0.03","293","2","293","2","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- B2.46 Ir2 -","- B2.46 Ir2 -","- B9.84 Ir8 -","4","0.5","","Sologub, Oksana; Salamakha, Leonid P.; Stöger, Berthold; Mori, Takao; Barisic, Neven; Rogl, Peter F.; Michor, Herwig; Bauer, Ernst","Crystal structures, bonding and electronic structures of α- and β-Ir<sub>2</sub>B<sub>3-<i>x</i></sub> compounds.","Dalton transactions (Cambridge, England : 2003)","2024","53","38","15859","15871","10.1039/d4dt02095b","","","0.71073","MoKα","","0.0395","0.0372","","","0.1003","0.1019","","","","","","1.202","","","","has coordinates","295277","2024-10-06","08:11:32",""
"7716891","13.2666","0.001","13.2666","0.001","96.195","0.009","90","","90","","120","","14662","2","298","2","298","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Ba15 Te42 Zr14 -","- Ba15 Te42 Zr14 -","- Ba90 Te252 Zr84 -","6","0.166667","","Yadav, Sweta; Niranjan, Manish K.; Prakash, Jai","Ba<sub>15</sub>Zr<sub>14</sub>Te<sub>42</sub>: a new complex ternary telluride structure with low thermal conductivity.","Dalton transactions (Cambridge, England : 2003)","2024","53","35","14848","14857","10.1039/d4dt01878h","","","0.71073","MoKα","","0.0728","0.0616","","","0.1138","0.1173","","","","","","1.115","","","","has coordinates","295270","2024-10-06","08:08:53",""
"7716892","36.27","0.0014","36.27","0.0014","36.27","0.0014","90","","90","","90","","47714","3","193","2","193","2","","","","","","","","6","I m -3","-I 2 2 3","204","","","","- C28 H54 Cl2 Dy4 N4 O30 -","- C28.5 H22 Cl1.56467 Dy4 N4 O22 -","- C684 H528 Cl37.552 Dy96 N96 O528 -","24","0.5","","Bai, Xu; Wang, Jian; Wang, Qin; Yu, Ya-Ting; Li, Jia-Nian; Mei, Hua; Xu, Yan","Cl<sup>-</sup>-templated coordination polymers constructed from dragonfly-like Ln<sub>4</sub> clusters exhibiting excellent magnetothermal properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","37","15602","15607","10.1039/d4dt01905a","","","0.71073","MoKα","","0.0671","0.051","","","0.1467","0.1598","","","","","","1.102","","","","has coordinates","295286","2024-10-06","08:22:21",""
"7716893","36.5627","0.0017","36.5627","0.0017","36.5627","0.0017","90","","90","","90","","48878","4","193","2","193","2","","","","","","","","6","I m -3","-I 2 2 3","204","","","","- C28 H52 Cl2 Gd4 N4 O29 -","- C28 H22 Cl0.706667 Gd4 N4 O22.93 -","- C672 H528 Cl16.96 Gd96 N96 O550.32 -","24","0.5","","Bai, Xu; Wang, Jian; Wang, Qin; Yu, Ya-Ting; Li, Jia-Nian; Mei, Hua; Xu, Yan","Cl<sup>-</sup>-templated coordination polymers constructed from dragonfly-like Ln<sub>4</sub> clusters exhibiting excellent magnetothermal properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","37","15602","15607","10.1039/d4dt01905a","","","0.71073","MoKα","","0.0931","0.0822","","","0.2182","0.2237","","","","","","1.026","","","","has coordinates,has disorder","295286","2024-10-06","08:22:21",""
"7716894","19.0435","0.0001","18.4876","0.0001","22.3002","0.0002","90","","100.88","0.001","90","","7710.07","0.09","100","0.1","100","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C78 H72 Cu9 O12 P3 S6 -","- C78 H72 Cu9 O12 P3 S6 -","- C312 H288 Cu36 O48 P12 S24 -","4","0.5","","Du, Peiling; Sachurilatu, ?; Jiang, Wenya; Wei, Jianyu; Li, Simin; Shen, Hui","Ligand effects in photoluminescence of copper nanoclusters.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15190","15197","10.1039/d4dt02060j","","x-ray","1.54184","CuKα","","0.0232","0.0218","","","0.0572","0.0581","","","","","","1.046","","","","has coordinates","295259","2024-10-06","08:04:34",""
"7716895","17.8552","0.0003","17.8552","0.0003","39.8409","0.001","90","","90","","120","","10999.9","0.4","100","0.1","100","0.1","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C72 H60 Cu9 O6 P3 Se6 -","- C72 H60 Cu9 O6 P3 Se6 -","- C432 H360 Cu54 O36 P18 Se36 -","6","0.333333","","Du, Peiling; Sachurilatu, ?; Jiang, Wenya; Wei, Jianyu; Li, Simin; Shen, Hui","Ligand effects in photoluminescence of copper nanoclusters.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15190","15197","10.1039/d4dt02060j","","x-ray","1.54184","CuKα","","0.0441","0.0348","","","0.0778","0.0828","","","","","","1.042","","","","has coordinates","295259","2024-10-06","08:04:34",""
"7716896","11.5343","0.0003","15.564","0.0003","21.2129","0.0005","95.849","0.002","98.779","0.002","102.5","0.002","3638.2","0.15","273","","273","","","","","","","","","8","P -1","-P 1","2","","","","- C57 H71 Au2 Cl3 F12 N8 P4 S6 -","- C57 H71 Au2 Cl3 F12 N8 P4 S6 -","- C114 H142 Au4 Cl6 F24 N16 P8 S12 -","2","1","","Llamedo, Alejandro; Rodríguez, Pablo; Gabasa, Yaiza; Soengas, Raquel G.; Rodríguez-Solla, Humberto; Elorriaga, David; García-Alonso, Francisco J; Soto, Sara M.","Liposomal formulation of a gold(III) metalloantibiotic: a promising strategy against antimicrobial resistance.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15205","15214","10.1039/d4dt01867b","","x-ray","1.54184","CuKα","","0.0444","0.0385","","","0.1007","0.1067","","","","","","1.03","","","","has coordinates,has disorder","295254","2024-10-06","08:01:44",""
"7716897","16.1582","0.0015","8.63","0.0005","17.5982","0.0015","90","","95.03","0.007","90","","2444.5","0.3","100","","100","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C28 H34 Be N4 -","- C28 H34 Be N4 -","- C112 H136 Be4 N16 -","4","0.5","","Bekiş, Deniz F; Thomas-Hargreaves, Lewis R; Ivlev, Sergei I.; Buchner, Magnus R.","Multinuclear beryllium amide and imide complexes: structure, properties and bonding.","Dalton transactions (Cambridge, England : 2003)","2024","53","37","15551","15564","10.1039/d4dt02269f","","x-ray","1.54186","CuKα","","0.0482","0.038","","","0.1043","0.1085","","","","","","1.064","","","","has coordinates","295242","2024-10-06","07:54:16",""
"7716898","9.4884","0.0009","9.8022","0.0007","22.2345","0.0019","90","","99.949","0.007","90","","2036.9","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H56 Be2 N4 -","- C48 H56 Be2 N4 -","- C96 H112 Be4 N8 -","2","0.5","","Bekiş, Deniz F; Thomas-Hargreaves, Lewis R; Ivlev, Sergei I.; Buchner, Magnus R.","Multinuclear beryllium amide and imide complexes: structure, properties and bonding.","Dalton transactions (Cambridge, England : 2003)","2024","53","37","15551","15564","10.1039/d4dt02269f","","x-ray","1.54186","CuKα","","0.064","0.0518","","","0.1488","0.1578","","","","","","1.065","","","","has coordinates,has disorder","295242","2024-10-06","07:54:16",""
"7716899","9.5804","0.0003","16.0927","0.0005","14.6676","0.0005","90","","102.993","0.002","90","","2203.47","0.12","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H72 Be2 N4 -","- C48 H72 Be2 N4 -","- C96 H144 Be4 N8 -","2","0.5","","Bekiş, Deniz F; Thomas-Hargreaves, Lewis R; Ivlev, Sergei I.; Buchner, Magnus R.","Multinuclear beryllium amide and imide complexes: structure, properties and bonding.","Dalton transactions (Cambridge, England : 2003)","2024","53","37","15551","15564","10.1039/d4dt02269f","","","1.54178","CuKα","","0.0405","0.0362","","","0.0946","0.0978","","","","","","1.047","","","","has coordinates","295242","2024-10-06","07:54:16",""
"7716900","14.2365","0.0015","14.6407","0.0015","15.721","0.0018","63.743","0.008","71.969","0.009","72.777","0.008","2745.2","0.6","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C60 H78 Be3 N6 -","- C60 H78 Be3 N6 -","- C120 H156 Be6 N12 -","2","1","","Bekiş, Deniz F; Thomas-Hargreaves, Lewis R; Ivlev, Sergei I.; Buchner, Magnus R.","Multinuclear beryllium amide and imide complexes: structure, properties and bonding.","Dalton transactions (Cambridge, England : 2003)","2024","53","37","15551","15564","10.1039/d4dt02269f","","x-ray","1.54186","CuKα","","0.0942","0.0497","","","0.1183","0.1377","","","","","","0.874","","","","has coordinates,has disorder","295242","2024-10-06","07:54:16",""
"7716901","9.9415","0.0006","15.0952","0.0007","23.1922","0.0013","71.835","0.004","87.988","0.006","71.142","0.004","3121.1","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C78 H60 Be3 N6 -","- C78 H60 Be3 N6 -","- C156 H120 Be6 N12 -","2","1","","Bekiş, Deniz F; Thomas-Hargreaves, Lewis R; Ivlev, Sergei I.; Buchner, Magnus R.","Multinuclear beryllium amide and imide complexes: structure, properties and bonding.","Dalton transactions (Cambridge, England : 2003)","2024","53","37","15551","15564","10.1039/d4dt02269f","","x-ray","1.54186","CuKα","","0.0667","0.0546","","","0.1569","0.1653","","","","","","1.086","","","","has coordinates","295242","2024-10-06","07:54:16",""
"7716902","10.4879","0.0011","18.8071","0.0019","10.7203","0.0011","90","","102.993","0.002","90","","2060.4","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 Cl4 F2 N O5 Sn -","- C14 H19 Cl4 F2 N O5 Sn -","- C56 H76 Cl16 F8 N4 O20 Sn4 -","4","1","","Álvarez-Miguel, Lucía; Del Carmen-Rodríguez, Clara; Valle, María; Álvarez, Celedonio M; Martín-Álvarez, José M; García-Rodríguez, Raúl; Miguel, Daniel","Synthesis and reactivity of air stable Ni(II) complexes with isocyanides and dialkyldithiophosphate ligands: acyclic diaminocarbene formation.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15101","15112","10.1039/d4dt01915f","","","0.71073","MoKα","","0.0278","0.0254","","","0.0639","0.0651","","","","","","1.058","","","","has coordinates","295256","2024-10-06","08:02:43",""
"7716903","7.2158","0.0003","10.0031","0.0008","18.9825","0.001","99.859","0.005","97.908","0.004","105.106","0.005","1279.15","0.14","293","","293","","","","","","","","","8","P -1","-P 1","2","","","","- C20 H24 Cl N2 Ni O6 P S2 -","- C20 H24 Cl N2 Ni O6 P S2 -","- C40 H48 Cl2 N4 Ni2 O12 P2 S4 -","2","1","","Álvarez-Miguel, Lucía; Del Carmen-Rodríguez, Clara; Valle, María; Álvarez, Celedonio M; Martín-Álvarez, José M; García-Rodríguez, Raúl; Miguel, Daniel","Synthesis and reactivity of air stable Ni(II) complexes with isocyanides and dialkyldithiophosphate ligands: acyclic diaminocarbene formation.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15101","15112","10.1039/d4dt01915f","","","0.71073","MoKα","","0.0919","0.0589","","","0.1531","0.1815","","","","","","1.034","","","","has coordinates","295256","2024-10-06","08:02:44",""
"7716904","9.6257","0.0004","22.5461","0.0009","9.8951","0.0003","90","","95.047","0.003","90","","2139.13","0.14","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N2 Ni O2 P S2 -","- C19 H21 N2 Ni O2 P S2 -","- C76 H84 N8 Ni4 O8 P4 S8 -","4","1","","Álvarez-Miguel, Lucía; Del Carmen-Rodríguez, Clara; Valle, María; Álvarez, Celedonio M; Martín-Álvarez, José M; García-Rodríguez, Raúl; Miguel, Daniel","Synthesis and reactivity of air stable Ni(II) complexes with isocyanides and dialkyldithiophosphate ligands: acyclic diaminocarbene formation.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15101","15112","10.1039/d4dt01915f","","","0.71073","MoKα","","0.0541","0.0367","","","0.0813","0.0946","","","","","","1.051","","","","has coordinates","295256","2024-10-06","08:02:50",""
"7716905","13.8109","0.0004","10.3758","0.0003","21.4053","0.0005","90","","91.863","0.002","90","","3065.74","0.14","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H37 N2 Ni O2 P S2 -","- C27 H37 N2 Ni O2 P S2 -","- C108 H148 N8 Ni4 O8 P4 S8 -","4","1","","Álvarez-Miguel, Lucía; Del Carmen-Rodríguez, Clara; Valle, María; Álvarez, Celedonio M; Martín-Álvarez, José M; García-Rodríguez, Raúl; Miguel, Daniel","Synthesis and reactivity of air stable Ni(II) complexes with isocyanides and dialkyldithiophosphate ligands: acyclic diaminocarbene formation.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15101","15112","10.1039/d4dt01915f","","","0.71073","MoKα","","0.0764","0.0443","","","0.0937","0.1101","","","","","","1.032","","","","has coordinates","295256","2024-10-06","08:02:58",""
"7716906","7.7849","0.0004","9.6864","0.0004","19.6397","0.001","100.452","0.004","100.473","0.004","100.035","0.004","1398.88","0.12","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C22 H28 Cl N2 Ni O6 P S2 -","- C22 H28 Cl N2 Ni O6 P S2 -","- C44 H56 Cl2 N4 Ni2 O12 P2 S4 -","2","1","","Álvarez-Miguel, Lucía; Del Carmen-Rodríguez, Clara; Valle, María; Álvarez, Celedonio M; Martín-Álvarez, José M; García-Rodríguez, Raúl; Miguel, Daniel","Synthesis and reactivity of air stable Ni(II) complexes with isocyanides and dialkyldithiophosphate ligands: acyclic diaminocarbene formation.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15101","15112","10.1039/d4dt01915f","","x-ray","0.71073","MoKα","","0.0993","0.0718","","","0.2105","0.2432","","","","","","1.033","","","","has coordinates","295256","2024-10-06","08:03:08",""
"7716907","8.6853","0.0003","11.9625","0.0005","16.6919","0.0006","93.616","0.003","98.94","0.003","103.585","0.003","1656.28","0.11","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H32 Cl N2 Ni O6 P S2 -","- C24 H32 Cl N2 Ni O6 P S2 -","- C48 H64 Cl2 N4 Ni2 O12 P2 S4 -","2","1","","Álvarez-Miguel, Lucía; Del Carmen-Rodríguez, Clara; Valle, María; Álvarez, Celedonio M; Martín-Álvarez, José M; García-Rodríguez, Raúl; Miguel, Daniel","Synthesis and reactivity of air stable Ni(II) complexes with isocyanides and dialkyldithiophosphate ligands: acyclic diaminocarbene formation.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15101","15112","10.1039/d4dt01915f","","x-ray","0.71073","MoKα","","0.112","0.0654","","","0.1663","0.1977","","","","","","1.041","","","","has coordinates","295256","2024-10-06","08:03:09",""
"7716908","14.1712","0.0003","14.4321","0.0004","14.8981","0.0003","90","","100.956","0.002","90","","2991.43","0.12","293","","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H32 N3 Ni O2 P S2 -","- C23 H32 N3 Ni O2 P S2 -","- C92 H128 N12 Ni4 O8 P4 S8 -","4","1","","Álvarez-Miguel, Lucía; Del Carmen-Rodríguez, Clara; Valle, María; Álvarez, Celedonio M; Martín-Álvarez, José M; García-Rodríguez, Raúl; Miguel, Daniel","Synthesis and reactivity of air stable Ni(II) complexes with isocyanides and dialkyldithiophosphate ligands: acyclic diaminocarbene formation.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15101","15112","10.1039/d4dt01915f","","","0.71073","MoKα","","0.0559","0.0367","","","0.0855","0.0954","","","","","","1.022","","","","has coordinates","295256","2024-10-06","08:03:19",""
"7716909","17.6491","0.001","21.2342","0.0013","17.9976","0.0008","90","","90","","90","","6744.9","0.6","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C31 H47 N4 Ni O2 P S2 -","- C31 H47 N4 Ni O2 P S2 -","- C248 H376 N32 Ni8 O16 P8 S16 -","8","1","","Álvarez-Miguel, Lucía; Del Carmen-Rodríguez, Clara; Valle, María; Álvarez, Celedonio M; Martín-Álvarez, José M; García-Rodríguez, Raúl; Miguel, Daniel","Synthesis and reactivity of air stable Ni(II) complexes with isocyanides and dialkyldithiophosphate ligands: acyclic diaminocarbene formation.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15101","15112","10.1039/d4dt01915f","","x-ray","0.71073","MoKα","","0.1475","0.0654","","","0.1196","0.1494","","","","","","1.03","","","","has coordinates","295256","2024-10-06","08:03:20",""
"7716910","14.3103","0.0005","15.1738","0.0005","14.3126","0.0005","90","","100.034","0.003","90","","3060.33","0.18","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 N4 Ni O2 P S2 -","- C24 H33 N4 Ni O2 P S2 -","- C96 H132 N16 Ni4 O8 P4 S8 -","4","1","","Álvarez-Miguel, Lucía; Del Carmen-Rodríguez, Clara; Valle, María; Álvarez, Celedonio M; Martín-Álvarez, José M; García-Rodríguez, Raúl; Miguel, Daniel","Synthesis and reactivity of air stable Ni(II) complexes with isocyanides and dialkyldithiophosphate ligands: acyclic diaminocarbene formation.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15101","15112","10.1039/d4dt01915f","","x-ray","0.71073","MoKα","","0.0664","0.0384","","","0.0872","0.0976","","","","","","1.013","","","","has coordinates","295256","2024-10-06","08:03:20",""
"7716911","9.1019","0.0004","14.9066","0.0006","17.7025","0.001","82.659","0.004","89.705","0.004","86.302","0.004","2377.2","0.2","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C43 H67 B F4 N3 Ni O2 P S2 -","- C43 H67 B F4 N3 Ni O2 P S2 -","- C86 H134 B2 F8 N6 Ni2 O4 P2 S4 -","2","1","","Álvarez-Miguel, Lucía; Del Carmen-Rodríguez, Clara; Valle, María; Álvarez, Celedonio M; Martín-Álvarez, José M; García-Rodríguez, Raúl; Miguel, Daniel","Synthesis and reactivity of air stable Ni(II) complexes with isocyanides and dialkyldithiophosphate ligands: acyclic diaminocarbene formation.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15101","15112","10.1039/d4dt01915f","","x-ray","0.71073","MoKα","","0.1074","0.0678","","","0.1702","0.2042","","","","","","1.039","","","","has coordinates","295256","2024-10-06","08:03:29",""
"7716912","14.2683","0.0017","12.6497","0.0007","14.8317","0.0016","90","","94.874","0.01","90","","2667.3","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N2 Ni O2 P S2 -","- C25 H25 N2 Ni O2 P S2 -","- C100 H100 N8 Ni4 O8 P4 S8 -","4","1","","Álvarez-Miguel, Lucía; Del Carmen-Rodríguez, Clara; Valle, María; Álvarez, Celedonio M; Martín-Álvarez, José M; García-Rodríguez, Raúl; Miguel, Daniel","Synthesis and reactivity of air stable Ni(II) complexes with isocyanides and dialkyldithiophosphate ligands: acyclic diaminocarbene formation.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15101","15112","10.1039/d4dt01915f","","x-ray","0.71073","MoKα","","0.1514","0.0579","","","0.1024","0.139","","","","","","0.935","","","","has coordinates","295256","2024-10-06","08:03:30",""
"7716913","10.8986","0.0002","15.6526","0.0003","18.4304","0.0003","90","","96.3167","0.0016","90","","3124.98","0.1","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H35 Cl N3 Ni O6 P S2 -","- C24 H35 Cl N3 Ni O6 P S2 -","- C96 H140 Cl4 N12 Ni4 O24 P4 S8 -","4","1","","Álvarez-Miguel, Lucía; Del Carmen-Rodríguez, Clara; Valle, María; Álvarez, Celedonio M; Martín-Álvarez, José M; García-Rodríguez, Raúl; Miguel, Daniel","Synthesis and reactivity of air stable Ni(II) complexes with isocyanides and dialkyldithiophosphate ligands: acyclic diaminocarbene formation.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15101","15112","10.1039/d4dt01915f","","x-ray","0.71073","MoKα","","0.0731","0.0503","","","0.1325","0.1517","","","","","","1.032","","","","has coordinates","295256","2024-10-06","08:03:30",""
"7716914","15.8519","0.0011","12.9097","0.0015","25.918","0.002","90","","102.398","0.008","90","","5180.3","0.8","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C46 H52 N6 Ni2 O4 P2 S4 -","- C42 H52 N6 Ni2 O4 P2 S4 -","- C168 H208 N24 Ni8 O16 P8 S16 -","4","0.5","","Álvarez-Miguel, Lucía; Del Carmen-Rodríguez, Clara; Valle, María; Álvarez, Celedonio M; Martín-Álvarez, José M; García-Rodríguez, Raúl; Miguel, Daniel","Synthesis and reactivity of air stable Ni(II) complexes with isocyanides and dialkyldithiophosphate ligands: acyclic diaminocarbene formation.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15101","15112","10.1039/d4dt01915f","","x-ray","0.71073","MoKα","","0.1453","0.0717","","","0.1612","0.2072","","","","","","0.99","","","","has coordinates","295256","2024-10-06","08:03:30",""
"7716915","9.2715","0.0002","21.9434","0.0004","18.2332","0.0004","90","","104.038","0.003","90","","3598.73","0.14","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H43 Cl N3 Ni O6 P S2 -","- C28 H43 Cl N3 Ni O6 P S2 -","- C112 H172 Cl4 N12 Ni4 O24 P4 S8 -","4","1","","Álvarez-Miguel, Lucía; Del Carmen-Rodríguez, Clara; Valle, María; Álvarez, Celedonio M; Martín-Álvarez, José M; García-Rodríguez, Raúl; Miguel, Daniel","Synthesis and reactivity of air stable Ni(II) complexes with isocyanides and dialkyldithiophosphate ligands: acyclic diaminocarbene formation.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15101","15112","10.1039/d4dt01915f","","x-ray","0.71073","MoKα","","0.0813","0.0495","","","0.1202","0.1391","","","","","","1.02","","","","has coordinates","295256","2024-10-06","08:03:30",""
"7716916","12.5858","0.0005","19.6057","0.0007","14.6622","0.0005","90","","112.736","0.004","90","","3336.8","0.2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H39 Cl N3 Ni O6 P S2 -","- C27 H39 Cl N3 Ni O6 P S2 -","- C108 H156 Cl4 N12 Ni4 O24 P4 S8 -","4","1","","Álvarez-Miguel, Lucía; Del Carmen-Rodríguez, Clara; Valle, María; Álvarez, Celedonio M; Martín-Álvarez, José M; García-Rodríguez, Raúl; Miguel, Daniel","Synthesis and reactivity of air stable Ni(II) complexes with isocyanides and dialkyldithiophosphate ligands: acyclic diaminocarbene formation.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15101","15112","10.1039/d4dt01915f","","x-ray","0.71073","MoKα","","0.1326","0.0793","","","0.2087","0.256","","","","","","1.039","","","","has coordinates","295256","2024-10-06","08:03:30",""
"7716917","13.0354","0.0007","13.3201","0.0007","14.2399","0.0005","90.782","0.004","106.703","0.004","96.437","0.005","2350.5","0.2","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C80 H122 B2 F8 N6 Ni2 O4 P2 S4 -","- C80 H122 B2 F8 N6 Ni2 O4 P2 S4 -","- C80 H122 B2 F8 N6 Ni2 O4 P2 S4 -","1","0.5","","Álvarez-Miguel, Lucía; Del Carmen-Rodríguez, Clara; Valle, María; Álvarez, Celedonio M; Martín-Álvarez, José M; García-Rodríguez, Raúl; Miguel, Daniel","Synthesis and reactivity of air stable Ni(II) complexes with isocyanides and dialkyldithiophosphate ligands: acyclic diaminocarbene formation.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15101","15112","10.1039/d4dt01915f","","x-ray","0.71073","MoKα","","0.1548","0.0939","","","0.2553","0.3134","","","","","","1.03","","","","has coordinates","295256","2024-10-06","08:03:30",""
"7716918","11.1533","0.0006","8.8012","0.0008","24.1739","0.0018","90","","94.913","0.006","90","","2364.3","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H46 N2 Ni O4 P2 S4 -","- C46 H46 N2 Ni O4 P2 S4 -","- C92 H92 N4 Ni2 O8 P4 S8 -","2","0.5","","Álvarez-Miguel, Lucía; Del Carmen-Rodríguez, Clara; Valle, María; Álvarez, Celedonio M; Martín-Álvarez, José M; García-Rodríguez, Raúl; Miguel, Daniel","Synthesis and reactivity of air stable Ni(II) complexes with isocyanides and dialkyldithiophosphate ligands: acyclic diaminocarbene formation.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15101","15112","10.1039/d4dt01915f","","","0.71073","MoKα","","0.1764","0.067","","","0.1402","0.1975","","","","","","1.009","","","","has coordinates","295256","2024-10-06","08:03:30",""
"7716919","17.0619","0.0009","9.7583","0.0003","21.8947","0.0007","90","","90","","90","","3645.4","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H26 N6 S2 -","- C16 H26 N6 S2 -","- C128 H208 N48 S16 -","8","1","","Besleaga, Iuliana; Fesenko, Anastasia A.; Paul, Anup; Šljukić, Biljana; Rapta, Peter; Pombeiro, Armando J. L.; Shutalev, Anatoly D.; Arion, Vladimir B.","Nickel(ii) complexes with 14-membered bis-thiosemicarbazide and bis-isothiosemicarbazide ligands: synthesis, characterization and catalysis of oxygen evolution reaction","Dalton Transactions","2024","53","38","15826","15841","10.1039/D4DT02182G","","","0.71073","MoKα","","0.032","0.0282","","","0.0739","0.0758","","","","","","1.038","","","","has coordinates","295275","2024-10-06","08:10:42",""
"7716920","9.2324","0.0007","10.4294","0.0007","12.5483","0.0008","101.269","0.005","103.562","0.006","93.9","0.006","1143.68","0.14","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H34 N6 S2 -","- C20 H34 N6 S2 -","- C40 H68 N12 S4 -","2","1","","Besleaga, Iuliana; Fesenko, Anastasia A.; Paul, Anup; Šljukić, Biljana; Rapta, Peter; Pombeiro, Armando J. L.; Shutalev, Anatoly D.; Arion, Vladimir B.","Nickel(ii) complexes with 14-membered bis-thiosemicarbazide and bis-isothiosemicarbazide ligands: synthesis, characterization and catalysis of oxygen evolution reaction","Dalton Transactions","2024","53","38","15826","15841","10.1039/D4DT02182G","","","1.54178","CuKα","","0.0568","0.0488","","","0.1389","0.1456","","","","","","1.056","","","","has coordinates","295275","2024-10-06","08:10:42",""
"7716921","17.4292","0.0005","6.6235","0.0003","16.2981","0.0005","90","","100.416","0.002","90","","1850.49","0.11","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H24 N6 Ni S2 -","- C16 H24 N6 Ni S2 -","- C64 H96 N24 Ni4 S8 -","4","1","","Besleaga, Iuliana; Fesenko, Anastasia A.; Paul, Anup; Šljukić, Biljana; Rapta, Peter; Pombeiro, Armando J. L.; Shutalev, Anatoly D.; Arion, Vladimir B.","Nickel(ii) complexes with 14-membered bis-thiosemicarbazide and bis-isothiosemicarbazide ligands: synthesis, characterization and catalysis of oxygen evolution reaction","Dalton Transactions","2024","53","38","15826","15841","10.1039/D4DT02182G","","","0.71073","MoKα","","0.0361","0.0292","","","0.0661","0.0679","","","","","","1.089","","","","has coordinates","295275","2024-10-06","08:10:42",""
"7716922","11.541","0.0002","13.7657","0.0002","13.0159","0.0002","90","","103.905","0.001","90","","2007.24","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 N6 Ni S2 -","- C18 H28 N6 Ni S2 -","- C72 H112 N24 Ni4 S8 -","4","1","","Besleaga, Iuliana; Fesenko, Anastasia A.; Paul, Anup; Šljukić, Biljana; Rapta, Peter; Pombeiro, Armando J. L.; Shutalev, Anatoly D.; Arion, Vladimir B.","Nickel(ii) complexes with 14-membered bis-thiosemicarbazide and bis-isothiosemicarbazide ligands: synthesis, characterization and catalysis of oxygen evolution reaction","Dalton Transactions","2024","53","38","15826","15841","10.1039/D4DT02182G","","","0.71073","MoKα","","0.0318","0.0254","","","0.062","0.0639","","","","","","1.021","","","","has coordinates,has disorder","295275","2024-10-06","08:10:42",""
"7716923","11.6032","0.001","13.6885","0.0012","16.1127","0.0013","112.018","0.003","90.826","0.003","107.495","0.003","2239.3","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 N6 Ni S2 -","- C20 H32 N6 Ni S2 -","- C80 H128 N24 Ni4 S8 -","4","2","","Besleaga, Iuliana; Fesenko, Anastasia A.; Paul, Anup; Šljukić, Biljana; Rapta, Peter; Pombeiro, Armando J. L.; Shutalev, Anatoly D.; Arion, Vladimir B.","Nickel(ii) complexes with 14-membered bis-thiosemicarbazide and bis-isothiosemicarbazide ligands: synthesis, characterization and catalysis of oxygen evolution reaction","Dalton Transactions","2024","53","38","15826","15841","10.1039/D4DT02182G","","","0.71073","MoKα","","0.0662","0.0362","","","0.0753","0.0869","","","","","","1.01","","","","has coordinates","295275","2024-10-06","08:10:42",""
"7716924","12.1742","0.0003","16.9814","0.0004","27.9303","0.0005","90","","101.516","0.002","90","","5657.9","0.2","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H68 N4 O8 Ti2 -","- C64 H68 N4 O8 Ti2 -","- C256 H272 N16 O32 Ti8 -","4","1","","Wu, Ling-Jo; Kottalanka, Ravi Kumar; Chu, Yu-Ting; Lin, Zheng-Ian; Chang, Chun-Juei; Ding, Shangwu; Chen, Hsuan-Ying; Wu, Kuo-Hui; Chen, Chih-Kuang","A comparative study of titanium complexes bearing 2-(arylideneamino)phenolates and 2-((arylimino)methyl)phenolates as catalysts for ring-opening polymerization of ε-caprolactone and L-lactide.","Dalton transactions (Cambridge, England : 2003)","2024","53","37","15660","15673","10.1039/d4dt02282c","","","0.71073","MoKα","","0.0709","0.0549","","","0.1364","0.1431","","","","","","1.066","","","","has coordinates,has disorder","295241","2024-10-06","07:53:52",""
"7716925","11.8926","0.0002","14.889","0.0003","18.5751","0.0003","90","","104.27","0.002","90","","3187.59","0.1","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 N2 O6 Ti -","- C34 H38 N2 O6 Ti -","- C136 H152 N8 O24 Ti4 -","4","1","","Wu, Ling-Jo; Kottalanka, Ravi Kumar; Chu, Yu-Ting; Lin, Zheng-Ian; Chang, Chun-Juei; Ding, Shangwu; Chen, Hsuan-Ying; Wu, Kuo-Hui; Chen, Chih-Kuang","A comparative study of titanium complexes bearing 2-(arylideneamino)phenolates and 2-((arylimino)methyl)phenolates as catalysts for ring-opening polymerization of ε-caprolactone and L-lactide.","Dalton transactions (Cambridge, England : 2003)","2024","53","37","15660","15673","10.1039/d4dt02282c","","","0.71073","MoKα","","0.0508","0.0419","","","0.115","0.1206","","","","","","1.051","","","","has coordinates,has disorder","295241","2024-10-06","07:53:52",""
"7716926","22.5099","0.0015","44.91","0.003","11.2932","0.0006","90","","90","","90","","11416.5","1.2","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C12 H19 Cl2 O1.75 Sm0.5 Ti0.5 -","- C12 H19 Cl2 O1.75 Sm0.5 Ti0.5 -","- C384 H608 Cl64 O56 Sm16 Ti16 -","32","2","","Bousrez, Guillaume; Harakat, Dominique; Chevreux, Sylviane; Déchamps-Olivier, Isabelle; Jaroschik, Florian","Choosing between Ti(II) and Ti(III): selective reduction of titanocene dichloride by elemental lanthanides.","Dalton transactions (Cambridge, England : 2003)","2024","53","37","15595","15601","10.1039/d4dt02004a","","","0.71073","MoKα","","0.0174","0.0165","","","0.035","0.0353","","","","","","1.126","","","","has coordinates","295243","2024-10-06","07:54:28",""
"7716927","7.4128","0.0018","5.5975","0.0016","9.458","0.005","90","","90.65","0.03","90","","392.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- K3 O8 P2 Tb -","- K3 O8 P2 Tb -","- K6 O16 P4 Tb2 -","2","0.5","","Chornii, Vitalii; Terebilenko, Kateryna; Gural'skiy, Il'ya; Slobodyanik, Mykola; Zozulia, Valeriia; Shova, Sergiu; Zhydachevskyy, Yaroslav; Nedilko, Serhii G.","Structural and spectroscopic insights into the performance of K<sub>3</sub>Tb(PO<sub>4</sub>)<sub>2</sub> green phosphor.","Dalton transactions (Cambridge, England : 2003)","2024","53","37","15583","15594","10.1039/d4dt01816h","","x-ray","0.71073","MoKα","","0.0604","0.0499","","","0.11","0.1128","","","","","","1.02","","","","has coordinates","295289","2024-10-06","08:37:16",""
"7716928","10.6849","0.0006","32.091","0.002","12.6278","0.0008","90","","104.579","0.006","90","","4190.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H37 Ag Cl N3 S -","- C45 H37 Ag Cl N3 S -","- C180 H148 Ag4 Cl4 N12 S4 -","4","1","","Podchorodecka, Pamela; Dziuk, Błażej; Junga, Robert; Szostak, Roman; Szostak, Michal; Bisz, Elwira","IPr*Thia – wingtip-flexible, sterically hindered, modular, N,C/S,C-chelating thiazole-donor N-heterocyclic carbene ligands","Dalton Transactions","2024","53","36","14975","14985","10.1039/D4DT01468E","","","0.71073","MoKα","","0.1191","0.072","","","0.1521","0.1792","","","","","","0.996","","","","has coordinates","295258","2024-10-06","08:04:17",""
"7716929","20.3298","0.0003","10.2556","0.0001","20.1417","0.0003","90","","118.22","0.002","90","","3700.28","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H37 N3 O S Se -","- C45 H37 N3 O S Se -","- C180 H148 N12 O4 S4 Se4 -","4","1","","Podchorodecka, Pamela; Dziuk, Błażej; Junga, Robert; Szostak, Roman; Szostak, Michal; Bisz, Elwira","IPr*Thia – wingtip-flexible, sterically hindered, modular, N,C/S,C-chelating thiazole-donor N-heterocyclic carbene ligands","Dalton Transactions","2024","53","36","14975","14985","10.1039/D4DT01468E","","","1.54184","CuKα","","0.0274","0.0268","","","0.0682","0.0686","","","","","","1.061","","","","has coordinates","295258","2024-10-06","08:04:17",""
"7716930","13.466","0.003","11.2456","0.0011","28.723","0.006","90","","96.01","0.016","90","","4325.7","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H41 Cl6 N3 Pd S -","- C47 H41 Cl6 N3 Pd S -","- C188 H164 Cl24 N12 Pd4 S4 -","4","1","","Podchorodecka, Pamela; Dziuk, Błażej; Junga, Robert; Szostak, Roman; Szostak, Michal; Bisz, Elwira","IPr*Thia – wingtip-flexible, sterically hindered, modular, N,C/S,C-chelating thiazole-donor N-heterocyclic carbene ligands","Dalton Transactions","2024","53","36","14975","14985","10.1039/D4DT01468E","","","0.71073","MoKα","","0.0915","0.0615","","","0.1419","0.1594","","","","","","0.962","","","","has coordinates,has disorder","295258","2024-10-06","08:04:17",""
"7716931","25.3287","0.0003","9.4913","0.0001","35.0477","0.0003","90","","90","","90","","8425.55","0.15","100","2","100.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C45 H37 Cl2 N3 O Pd S -","- C45 H37 Cl2 N3 O Pd S -","- C360 H296 Cl16 N24 O8 Pd8 S8 -","8","1","","Podchorodecka, Pamela; Dziuk, Błażej; Junga, Robert; Szostak, Roman; Szostak, Michal; Bisz, Elwira","IPr*Thia – wingtip-flexible, sterically hindered, modular, N,C/S,C-chelating thiazole-donor N-heterocyclic carbene ligands","Dalton Transactions","2024","53","36","14975","14985","10.1039/D4DT01468E","","","1.54184","CuKα","","0.0327","0.031","","","0.0767","0.0775","","","","","","1.119","","","","has coordinates","295258","2024-10-06","08:04:17",""
"7716932","18.928","0.0016","10.7439","0.0013","20.239","0.0017","90","","112.35","0.011","90","","3806.6","0.7","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C45 H37 Ag Cl N3 O S -","- C45 H37 Ag Cl N3 O S -","- C180 H148 Ag4 Cl4 N12 O4 S4 -","4","1","","Podchorodecka, Pamela; Dziuk, Błażej; Junga, Robert; Szostak, Roman; Szostak, Michal; Bisz, Elwira","IPr*Thia – wingtip-flexible, sterically hindered, modular, N,C/S,C-chelating thiazole-donor N-heterocyclic carbene ligands","Dalton Transactions","2024","53","36","14975","14985","10.1039/D4DT01468E","","","0.71073","MoKα","","0.0639","0.0505","","","0.0997","0.1055","","","","","","1.079","","","","has coordinates","295258","2024-10-06","08:04:17",""
"7716933","16.5955","0.0004","14.0531","0.0003","23.5734","0.0006","90","","98.168","0.002","90","","5442","0.2","100.04","0.1","100.04","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C50 H68 B Cl Co Fe N13 O8 -","- C50 H67.9988 B Cl Co Fe N13 O8 -","- C200 H271.995 B4 Cl4 Co4 Fe4 N52 O32 -","4","1","","Ikeda, Taisuke; Huang, Yu-Bo; Wu, Shu-Qi; Zheng, Wenwei; Xu, Wen-Huang; Zhang, Xiaopeng; Ji, Tianchi; Uematsu, Mikoto; Kanegawa, Shinji; Su, Sheng-Qun; Sato, Osamu","Four-step electron transfer coupled spin transition in a cyano-bridged [Fe2Co2] square complex","Dalton Transactions","2024","53","37","15465","15470","10.1039/D4DT01581A","","x-ray","0.71073","MoKα","","0.073","0.0477","","","0.1186","0.1335","","","","","","1.018","","","","has coordinates,has disorder","295247","2024-10-06","07:56:19",""
"7716934","19.9837","0.0004","5.428","0.0001","18.5278","0.0004","90","","100.705","0.001","90","","1974.76","0.07","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- O27 S6 W2 Y2 -","- O27 S6 W2 Y2 -","- O108 S24 W8 Y8 -","4","0.5","","Wessels, Vivien; Kügle, Sofia; Höppe, Henning A","Crystal structure, optical properties and thermal properties of M<sub>2</sub>[W<sub>2</sub>O<sub>3</sub>(SO<sub>4</sub>)<sub>6</sub>] (M = Y, Eu, Tb, Lu, Bi).","Dalton transactions (Cambridge, England : 2003)","2024","53","37","15703","15712","10.1039/d4dt02259a","","","0.71073","MoKα","","0.0706","0.0628","","","0.1413","0.1435","","","","","","1.294","","","","has coordinates,has disorder","295290","2024-10-06","08:43:31",""
"7716935","19.8501","0.0006","5.5513","0.0002","18.772","0.0006","90","","100.148","0.001","90","","2036.2","0.12","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Bi2 O27 S6 W2 -","- Bi2 O27 S6 W2 -","- Bi8 O108 S24 W8 -","4","0.5","","Wessels, Vivien; Kügle, Sofia; Höppe, Henning A","Crystal structure, optical properties and thermal properties of M<sub>2</sub>[W<sub>2</sub>O<sub>3</sub>(SO<sub>4</sub>)<sub>6</sub>] (M = Y, Eu, Tb, Lu, Bi).","Dalton transactions (Cambridge, England : 2003)","2024","53","37","15703","15712","10.1039/d4dt02259a","","","0.71073","MoKα","","0.027","0.0233","","","0.0523","0.0534","","","","","","1.095","","","","has coordinates,has disorder","295290","2024-10-06","08:43:33",""
"7716936","19.998","0.0006","5.4727","0.0002","18.5827","0.0006","90","","100.83","0.001","90","","1997.52","0.11","300","2","300","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- O13.5 S3 Tb W -","- O13.5 S3 Tb W -","- O108 S24 Tb8 W8 -","8","1","","Wessels, Vivien; Kügle, Sofia; Höppe, Henning A","Crystal structure, optical properties and thermal properties of M<sub>2</sub>[W<sub>2</sub>O<sub>3</sub>(SO<sub>4</sub>)<sub>6</sub>] (M = Y, Eu, Tb, Lu, Bi).","Dalton transactions (Cambridge, England : 2003)","2024","53","37","15703","15712","10.1039/d4dt02259a","","","0.71073","MoKα","","0.0499","0.0427","","","0.0927","0.0952","","","","","","1.139","","","","has coordinates,has disorder","295290","2024-10-06","08:43:33",""
"7716937","19.981","0.004","5.5145","0.001","18.672","0.003","90","","100.75","0.007","90","","2021.3","0.6","300","2","300","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Eu2 O27 S6 W2 -","- Eu2 O27 S6 W2 -","- Eu8 O108 S24 W8 -","4","0.5","","Wessels, Vivien; Kügle, Sofia; Höppe, Henning A","Crystal structure, optical properties and thermal properties of M<sub>2</sub>[W<sub>2</sub>O<sub>3</sub>(SO<sub>4</sub>)<sub>6</sub>] (M = Y, Eu, Tb, Lu, Bi).","Dalton transactions (Cambridge, England : 2003)","2024","53","37","15703","15712","10.1039/d4dt02259a","","","0.71073","MoKα","","0.0279","0.0222","","","0.0493","0.0514","","","","","","1.06","","","","has coordinates,has disorder","295290","2024-10-06","08:43:33",""
"7716938","19.93","0.002","5.3595","0.0007","18.403","0.002","90","","100.675","0.005","90","","1931.7","0.4","300","2","300","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Lu O13.5 S3 W -","- Lu O13.5 S3 W -","- Lu8 O108 S24 W8 -","8","1","","Wessels, Vivien; Kügle, Sofia; Höppe, Henning A","Crystal structure, optical properties and thermal properties of M<sub>2</sub>[W<sub>2</sub>O<sub>3</sub>(SO<sub>4</sub>)<sub>6</sub>] (M = Y, Eu, Tb, Lu, Bi).","Dalton transactions (Cambridge, England : 2003)","2024","53","37","15703","15712","10.1039/d4dt02259a","","","0.71073","MoKα","","0.0534","0.0483","","","0.1296","0.1317","","","","","","1.133","","","","has coordinates,has disorder","295290","2024-10-06","08:43:33",""
"7716939","28.0983","0.0006","28.0983","0.0006","14.933","0.0003","90","","90","","90","","11789.8","0.4","100","","100","","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C56 H36 Cl12 F6 N4 Si Zn -","- C56 H36 Cl12 F6 N4 Si Zn -","- C448 H288 Cl96 F48 N32 Si8 Zn8 -","8","0.25","","Gupta, Gajendra; Paul, Anup; Gupta, Ajay; Lee, Junseong; Lee, Chang Yeon","Removal of organic dyes from aqueous solution using a novel pyrene appended Zn(ii)-based metal–organic framework and its photocatalytic properties","Dalton Transactions","2024","53","37","15732","15741","10.1039/D4DT01869A","","","0.71073","MoKα","","0.2037","0.0785","","","0.2041","0.2773","","","","","","1.028","","","","has coordinates","295246","2024-10-06","07:56:08",""
"7716940","18.9051","0.0014","16.8361","0.0015","8.3979","0.0008","90","","115.949","0.003","90","","2403.5","0.4","99.98","","99.98","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Fe N8 O4 Pd S4 -","- C14 H12 Fe N8 O2 Pd S4 -","- C56 H48 Fe4 N32 O8 Pd4 S16 -","4","0.5","","Xie, Kai-Ping; Peng, Zhi-Zhen; Ruan, Ze-Yu; Fan, Wei-Ding; Chen, Yan-Ru; Zheng, Xiao-Dan; Zou, Yu-Bo; Wu, Si-Guo; Xiao, Zi-Cheng","Two 2D spin-crossover coordination polymers constructed by [Pd(SCN)<sub>4</sub>]<sup>2-</sup> building blocks.","Dalton transactions (Cambridge, England : 2003)","2024","53","37","15681","15687","10.1039/d4dt02005g","","","0.71073","MoKα","","0.0675","0.049","","","0.0931","0.1023","","","","","","1.059","","","","has coordinates","295291","2024-10-06","08:48:54",""
"7716941","19.3064","0.0013","17.1589","0.0014","8.5765","0.0008","90","","115.947","0.003","90","","2554.8","0.4","245.58","","245.58","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Fe N8 O4 Pd S4 -","- C14 H12 Fe N8 O2 Pd S4 -","- C56 H48 Fe4 N32 O8 Pd4 S16 -","4","0.5","","Xie, Kai-Ping; Peng, Zhi-Zhen; Ruan, Ze-Yu; Fan, Wei-Ding; Chen, Yan-Ru; Zheng, Xiao-Dan; Zou, Yu-Bo; Wu, Si-Guo; Xiao, Zi-Cheng","Two 2D spin-crossover coordination polymers constructed by [Pd(SCN)<sub>4</sub>]<sup>2-</sup> building blocks.","Dalton transactions (Cambridge, England : 2003)","2024","53","37","15681","15687","10.1039/d4dt02005g","","","0.71073","MoKα","","0.0695","0.0512","","","0.1267","0.1397","","","","","","1.017","","","","has coordinates","295291","2024-10-06","08:48:55",""
"7716942","8.284","0.0019","14.259","0.004","16.686","0.004","113.788","0.007","90.591","0.007","102.835","0.008","1747.4","0.8","109.94","","109.94","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H51 Fe2 N25 Pd2 S8 -","- C52 H36 Fe2 N20 Pd2 S8 -","- C52 H36 Fe2 N20 Pd2 S8 -","1","0.5","","Xie, Kai-Ping; Peng, Zhi-Zhen; Ruan, Ze-Yu; Fan, Wei-Ding; Chen, Yan-Ru; Zheng, Xiao-Dan; Zou, Yu-Bo; Wu, Si-Guo; Xiao, Zi-Cheng","Two 2D spin-crossover coordination polymers constructed by [Pd(SCN)<sub>4</sub>]<sup>2-</sup> building blocks.","Dalton transactions (Cambridge, England : 2003)","2024","53","37","15681","15687","10.1039/d4dt02005g","","","0.71073","MoKα","","0.1475","0.1056","","","0.2597","0.2951","","","","","","1.036","","","","has coordinates","295291","2024-10-06","08:48:55",""
"7716943","8.448","0.002","14.572","0.004","17.009","0.004","114.715","0.008","90.629","0.007","103.534","0.009","1835.2","0.8","200.03","","200.03","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H51 Fe2 N25 Pd2 S8 -","- C52 H36 Fe2 N20 Pd2 S8 -","- C52 H36 Fe2 N20 Pd2 S8 -","1","0.5","","Xie, Kai-Ping; Peng, Zhi-Zhen; Ruan, Ze-Yu; Fan, Wei-Ding; Chen, Yan-Ru; Zheng, Xiao-Dan; Zou, Yu-Bo; Wu, Si-Guo; Xiao, Zi-Cheng","Two 2D spin-crossover coordination polymers constructed by [Pd(SCN)<sub>4</sub>]<sup>2-</sup> building blocks.","Dalton transactions (Cambridge, England : 2003)","2024","53","37","15681","15687","10.1039/d4dt02005g","","","0.71073","MoKα","","0.1514","0.108","","","0.2673","0.3021","","","","","","1.033","","","","has coordinates","295291","2024-10-06","08:48:55",""
"7716944","12.3933","0.0004","13.4724","0.0004","14.8545","0.0005","71.856","0.003","69.878","0.003","75.205","0.002","2182.28","0.13","149.99","0.1","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C65.85 H48.06 Mn2 N O20.58 -","- C65.836 H48.018 Mn2 N O20.57 -","- C65.836 H48.018 Mn2 N O20.57 -","1","0.5","","Zhu, Jing; Huo, Cuimeng; Chen, Jin; Ma, Xiaoxing; Zhu, Xiangjun; Li, Yan; Li, Guofang; Chen, Haitao; Duan, Xianying; Han, Fujiao; Kong, Hongjun; Zheng, Fuwei; Jiang, Aiyun","Ultrathin two-dimensional (2D) manganese-based metal–organic framework nanosheets for selective photocatalytic oxidation of thioether","Dalton Transactions","2024","53","37","15688","15695","10.1039/D4DT01251H","","","1.54184","CuKα","","0.0816","0.0626","","","0.167","0.1797","","","","","","1.04","","","","has coordinates,has disorder","295249","2024-10-06","07:57:10",""
"7716945","18.0494","0.0002","26.5169","0.0002","28.1081","0.0002","90","","90","","90","","13452.9","0.2","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","FeBAME","Iron (III) N,N?- bis(4-antipyrlmethylidene)ethylenediamine dichloride","","- C26 H28 Cl3 Fe N6 O2 -","- C26 H28 Cl3 Fe N6 O2 -","- C416 H448 Cl48 Fe16 N96 O32 -","16","4","","Cropley, Jessica D.; Mitchell, Amanda C.; Fritsch, Nicole A.; Ho, Marissa; Wells, Timothy D.; Reynolds, Todd M.; Brennessel, William W.; McNamara, William R.","Mononuclear Fe(III) Schiff base antipyrine complexes for catalytic hydrogen generation.","Dalton transactions (Cambridge, England : 2003)","2024","53","37","15421","15426","10.1039/d4dt01876a","","x-ray","1.54184","CuKα","","0.0577","0.0493","","","0.124","0.1295","","","","","","1.044","","","","has coordinates,has disorder","295248","2024-10-06","07:56:41",""
"7716946","16.6505","0.0013","15.7096","0.0013","21.6693","0.0018","90","","90","","90","","5668.1","0.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","ZnBAME","[Zinc (II) N,N?- bis(4-antipyrlmethylidene)ethylenediamine chloride] chloride","","- C27 H32 Cl2 N6 O3 Zn -","- C27 H32 Cl2 N6 O3 Zn -","- C216 H256 Cl16 N48 O24 Zn8 -","8","1","","Cropley, Jessica D.; Mitchell, Amanda C.; Fritsch, Nicole A.; Ho, Marissa; Wells, Timothy D.; Reynolds, Todd M.; Brennessel, William W.; McNamara, William R.","Mononuclear Fe(III) Schiff base antipyrine complexes for catalytic hydrogen generation.","Dalton transactions (Cambridge, England : 2003)","2024","53","37","15421","15426","10.1039/d4dt01876a","","","0.71073","MoKα","","0.0889","0.0747","","","0.1561","0.1632","","","","","","1.301","","","","has coordinates","295248","2024-10-06","07:56:51",""
"7716947","9.8121","0.0005","14.4735","0.0007","15.1409","0.0007","115.034","0.002","94.913","0.002","104.992","0.002","1834.57","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","FeBAME (NO3)3","Diaqua Iron (III) N,N?- bis(4-antipyrlmethylidene)ethylenediamine trinitrate","","- C29.5 H35.5 Fe N9 O13 -","- C29.5 H35.5 Fe N9 O13 -","- C59 H71 Fe2 N18 O26 -","2","1","","Cropley, Jessica D.; Mitchell, Amanda C.; Fritsch, Nicole A.; Ho, Marissa; Wells, Timothy D.; Reynolds, Todd M.; Brennessel, William W.; McNamara, William R.","Mononuclear Fe(III) Schiff base antipyrine complexes for catalytic hydrogen generation.","Dalton transactions (Cambridge, England : 2003)","2024","53","37","15421","15426","10.1039/d4dt01876a","","","0.71073","MoKα","","0.0386","0.0352","","","0.0934","0.0959","","","","","","1.044","","","","has coordinates,has disorder","295248","2024-10-06","07:56:51",""
"7716948","17.1583","0.0005","22.9892","0.0006","9.3758","0.0003","90","","93.252","0.003","90","","3692.38","0.19","169.99","0.1","169.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H42 Br2 N2 Ni -","- C45 H42 Br2 N2 Ni -","- C180 H168 Br8 N8 Ni4 -","4","1","","Ning, Zhao; Ma, Yanping; Zeng, Yanning; Wang, Yizhou; Xi, Aoqian; Sun, Wen-Hua","Synthesis of low-molecular weight and branched polyethylenes <i>via</i> ethylene polymerization using 9-(arylimino)-5,6,7,8-tetrahydrocyclohepta-pyridylnickel precatalysts.","Dalton transactions (Cambridge, England : 2003)","2024","53","38","15968","15983","10.1039/d4dt02159b","","x-ray","1.54184","CuKα","","0.0633","0.0515","","","0.1039","0.1085","","","","","","1.071","","","","has coordinates","295285","2024-10-06","08:15:10",""
"7716949","24.123","0.0002","10.94452","0.00008","30.6237","0.0003","90","","107.569","0.001","90","","7707.97","0.12","169.99","0.1","169.99","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C43 H37 Br2 Cl3 N2 Ni -","- C43 H37 Br2 Cl3 N2 Ni -","- C344 H296 Br16 Cl24 N16 Ni8 -","8","1","","Ning, Zhao; Ma, Yanping; Zeng, Yanning; Wang, Yizhou; Xi, Aoqian; Sun, Wen-Hua","Synthesis of low-molecular weight and branched polyethylenes <i>via</i> ethylene polymerization using 9-(arylimino)-5,6,7,8-tetrahydrocyclohepta-pyridylnickel precatalysts.","Dalton transactions (Cambridge, England : 2003)","2024","53","38","15968","15983","10.1039/d4dt02159b","","x-ray","1.54184","CuKα","","0.0438","0.0411","","","0.1117","0.1138","","","","","","1.061","","","","has coordinates","295285","2024-10-06","08:15:21",""
"7716950","12.0361","0.0002","9.5416","0.0002","21.1634","0.0004","90","","90","","90","","2430.48","0.08","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H3 N7 O9 -","- C8 H3 N7 O9 -","- C64 H24 N56 O72 -","8","1","","Yu, Qiong; Chen, Yu-Cong; Guo, Zihao; Li, Tao; Liu, Zunqi; Yi, Wenbin; Staples, Richard J.; Shreeve, Jean'ne M.","Energetic derivatives substituted with trinitrophenyl: improving the sensitivity of explosives.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18467","18472","10.1039/d4dt02070g","","x-ray","1.54184","CuKα","","0.0346","0.0306","","","0.0746","0.0767","","","","","","1.073","","","","has coordinates","296555","2024-12-06","18:45:40",""
"7716951","8.217","0.002","9.115","0.002","12.762","0.004","87.69","0.009","75.875","0.009","67.078","0.006","852.1","0.4","301","","301","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N12 O19 -","- C26 H24 N12 O19 -","- C26 H24 N12 O19 -","1","0.5","","Yu, Qiong; Chen, Yu-Cong; Guo, Zihao; Li, Tao; Liu, Zunqi; Yi, Wenbin; Staples, Richard J.; Shreeve, Jean'ne M.","Energetic derivatives substituted with trinitrophenyl: improving the sensitivity of explosives.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18467","18472","10.1039/d4dt02070g","","","0.71073","MoKα","","0.0877","0.0579","","","0.1527","0.177","","","","","","1.035","","","","has coordinates,has disorder","296555","2024-12-06","18:45:41",""
"7716952","11.8216","0.0006","12.1877","0.0005","13.353","0.0005","90","","91.81","0.03","90","","1922.92","0.15","300","","300","","","","","","","","","5","I 1 a 1","I -2ya","9","","Cadmium Octacyanotungstate (IV) hydrate","","- C8 Cd2 N8 O6 W -","- C8 Cd2 N8 O6 W -","- C32 Cd8 N32 O24 W4 -","4","1","","Mojica, R.; Avila, Y.; Morgado, P.; Vázquez, M C; Rodríguez-Hernández, J; Crespo, P. M.; Reguera, E.","Impact of metal exchange on the electronic structure and optical properties of isostructural octa-coordinated Mo<sup>IV</sup>/Cd<sup>II</sup> and W<sup>IV</sup>/Cd<sup>II</sup> polynuclear cyanide polymers.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15350","15358","10.1039/d4dt01694g","powder diffraction","","","CuKa","","","","","","","","","18.3872","1.564","","","","","","","has coordinates","295250","2024-10-06","08:00:05",""
"7716953","11.8123","0.0006","12.2011","0.0005","13.372","0.005","90","","91.91","0.03","90","","1926.1","0.7","300","","300","","","","","","","","","5","I 1 a 1","I -2ya","9","","Cadmium Octacyanomolybdate (IV) hydrate","","- C8 Cd2 Mo N8 O6 -","- C8 Cd2 Mo N8 O6 -","- C32 Cd8 Mo4 N32 O24 -","4","1","","Mojica, R.; Avila, Y.; Morgado, P.; Vázquez, M C; Rodríguez-Hernández, J; Crespo, P. M.; Reguera, E.","Impact of metal exchange on the electronic structure and optical properties of isostructural octa-coordinated Mo<sup>IV</sup>/Cd<sup>II</sup> and W<sup>IV</sup>/Cd<sup>II</sup> polynuclear cyanide polymers.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15350","15358","10.1039/d4dt01694g","powder diffraction","","","CuKa","","","","","","","","","20.9757","1.564","","","","","","","has coordinates","295250","2024-10-06","08:00:05",""
"7716954","28.486","0.006","26.892","0.006","20.509","0.005","90","","110.239","0.012","90","","14741","6","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","HIAM-3016-op","","- C26 H15 N3 O4 Zn -","- C26 H15 N3 O4 Zn -","- C208 H120 N24 O32 Zn8 -","8","1","","Ma, Zhen-Sha; Yang, Hui; Xing, Kai; Zhou, Kang; Lu, Gonghao; Liu, Xiao-Yuan","Reticular chemistry guided single-linker constructed pillar-layered metal-organic frameworks <i>via</i> an <i>in situ</i> ""one-pot"" strategy.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13320","13325","10.1039/d4dt01729c","","","1.34139","GaKα","","0.1699","0.101","","","0.2403","0.2871","","","","","","1.035","","","","has coordinates","294365","2024-09-04","15:47:39",""
"7716955","28.63","0.002","26.8008","0.0019","20.3644","0.0016","90","","109.961","0.002","90","","14687","1.9","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","HIAM-3016","","- C32 H29 N5 O6 Zn -","- C32 H29 N5 O6 Zn -","- C256 H232 N40 O48 Zn8 -","8","1","","Ma, Zhen-Sha; Yang, Hui; Xing, Kai; Zhou, Kang; Lu, Gonghao; Liu, Xiao-Yuan","Reticular chemistry guided single-linker constructed pillar-layered metal-organic frameworks <i>via</i> an <i>in situ</i> ""one-pot"" strategy.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13320","13325","10.1039/d4dt01729c","","x-ray","0.71073","MoKα","","0.0869","0.0557","","","0.1498","0.1642","","","","","","0.961","","","","has coordinates,has disorder","294365","2024-09-04","15:47:41",""
"7716956","27.145","0.007","28.184","0.007","31.874","0.008","90","","108.221","0.012","90","","23163","10","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","HIAM-3017-op","","- C67 H45 N7 O9 Zn2 -","- C67 H45 N7 O9 Zn2 -","- C536 H360 N56 O72 Zn16 -","8","1","","Ma, Zhen-Sha; Yang, Hui; Xing, Kai; Zhou, Kang; Lu, Gonghao; Liu, Xiao-Yuan","Reticular chemistry guided single-linker constructed pillar-layered metal-organic frameworks <i>via</i> an <i>in situ</i> ""one-pot"" strategy.","Dalton transactions (Cambridge, England : 2003)","2024","53","32","13320","13325","10.1039/d4dt01729c","","x-ray","1.34139","GaKα","","0.1549","0.1406","","","0.318","0.3252","","","","","","1.021","","","","has coordinates,has disorder","294365","2024-09-04","15:47:42",""
"7716957","11.0765","0.0002","14.2922","0.0002","15.4661","0.0002","116.294","0.001","96.548","0.001","97.926","0.001","2131.4","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H36 Co F3 N6 S6 -","- C42 H36 Co F3 N6 S6 -","- C84 H72 Co2 F6 N12 S12 -","2","1","","Singh, Anupam; Kumar, Rajesh; Patel, Riya; Trishna, ?; Gautam, Ram Nayan; Bharty, M. K.; Prasad, Lal Bahadur","Dithiocarbamate-based novel anti-histaminic agents: synthesis, characterization, crystal structure and thermal study.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","14077","14088","10.1039/d4dt01777c","","","0.71073","MoKα","","0.0859","0.0615","","","0.1888","0.2086","","","","","","1.073","","","","has coordinates,has disorder","294366","2024-09-04","15:50:03",""
"7716958","6.6417","0.0002","8.0504","0.0003","26.8952","0.001","90","","96.149","0.003","90","","1429.77","0.09","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 F2 N4 Ni S4 -","- C28 H24 F2 N4 Ni S4 -","- C56 H48 F4 N8 Ni2 S8 -","2","0.5","","Singh, Anupam; Kumar, Rajesh; Patel, Riya; Trishna, ?; Gautam, Ram Nayan; Bharty, M. K.; Prasad, Lal Bahadur","Dithiocarbamate-based novel anti-histaminic agents: synthesis, characterization, crystal structure and thermal study.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","14077","14088","10.1039/d4dt01777c","","","0.71073","MoKα","","0.0696","0.0481","","","0.1151","0.1267","","","","","","1.043","","","","has coordinates","294366","2024-09-04","15:50:04",""
"7716959","12.5292","0.0015","19.5","0.002","23.808","0.003","90","","95.72","0.004","90","","5787.8","1.2","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H66.05 Cl3 Dy N4 O17 Zn2 -","- C48 H66.05 Cl3 Dy N4 O17 Zn2 -","- C192 H264.2 Cl12 Dy4 N16 O68 Zn8 -","4","1","","Nandy, Rakhi; Jagličić, Zvonko; Jana, Narayan Ch; Brandão, Paula; Bustamante, Fabián; Aravena, Daniel; Panja, Anangamohan","The effect of co-ligands on the performance of single-molecule magnet behaviours in a family of linear trinuclear Zn-Dy-Zn complexes with a compartmental Schiff base.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13968","13981","10.1039/d4dt01582g","","","0.71073","MoKα","","0.0561","0.0513","","","0.1186","0.1227","","","","","","1.122","","","","has coordinates,has disorder","294367","2024-09-04","15:51:43",""
"7716960","20.8442","0.001","25.538","0.002","8.7128","0.0005","90","","90","","90","","4638","0.5","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C24 H30 N2 O4 -","- C24 H30 N2 O4 -","- C192 H240 N16 O32 -","8","0.5","","Nandy, Rakhi; Jagličić, Zvonko; Jana, Narayan Ch; Brandão, Paula; Bustamante, Fabián; Aravena, Daniel; Panja, Anangamohan","The effect of co-ligands on the performance of single-molecule magnet behaviours in a family of linear trinuclear Zn-Dy-Zn complexes with a compartmental Schiff base.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13968","13981","10.1039/d4dt01582g","","","0.71073","MoKα","","0.0312","0.0304","","","0.0865","0.0875","","","","","","1.029","","","","has coordinates","294367","2024-09-04","15:51:45",""
"7716961","12.5913","0.0011","13.6488","0.0012","19.5604","0.0017","103.066","0.003","94.469","0.003","114.008","0.003","2936.2","0.5","150","2","150","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H67 Dy I4 N4 O14 Zn2 -","- C50 H59 Dy I4 N4 O10 Zn2 -","- C100 H118 Dy2 I8 N8 O20 Zn4 -","2","1","","Nandy, Rakhi; Jagličić, Zvonko; Jana, Narayan Ch; Brandão, Paula; Bustamante, Fabián; Aravena, Daniel; Panja, Anangamohan","The effect of co-ligands on the performance of single-molecule magnet behaviours in a family of linear trinuclear Zn-Dy-Zn complexes with a compartmental Schiff base.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13968","13981","10.1039/d4dt01582g","","","0.71073","MoKα","","0.0515","0.0441","","","0.115","0.123","","","","","","1.069","","","","has coordinates,has disorder","294367","2024-09-04","15:51:45",""
"7716962","12.5327","0.0007","19.9571","0.0011","23.5431","0.0012","90","","97.405","0.002","90","","5839.4","0.5","150","2","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C48 H62 Br2 Cl Dy N4 O17 Zn2 -","- C48 H60 Br2 Cl Dy N4 O16 Zn2 -","- C192 H240 Br8 Cl4 Dy4 N16 O64 Zn8 -","4","1","","Nandy, Rakhi; Jagličić, Zvonko; Jana, Narayan Ch; Brandão, Paula; Bustamante, Fabián; Aravena, Daniel; Panja, Anangamohan","The effect of co-ligands on the performance of single-molecule magnet behaviours in a family of linear trinuclear Zn-Dy-Zn complexes with a compartmental Schiff base.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13968","13981","10.1039/d4dt01582g","","","0.71073","MoKα","","0.0581","0.0474","","","0.1196","0.1288","","","","","","1.18","","","","has coordinates,has disorder","294367","2024-09-04","15:51:45",""
"7716963","6.2774","0.0003","6.5742","0.0004","15.5423","0.0008","79.599","0.004","88.942","0.004","63.141","0.005","561.36","0.06","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C4 H18 Li O7 P -","- C4 H18 Li O7 P -","- C8 H36 Li2 O14 P2 -","2","1","","Kumar, Anuj; Ghatak, Aheli; Murugavel, Ramaswamy","Facile room-temperature synthesis of layered transition metal phosphonates <i>via</i> hitherto unknown alkali metal <i>tert</i>-butyl phosphonates.","Dalton transactions (Cambridge, England : 2003)","2024","53","34","14399","14410","10.1039/d4dt01668h","","x-ray","0.71073","MoKα","","0.0705","0.0632","","","0.1661","0.1742","","","","","","1.066","","","","has coordinates","294368","2024-09-04","15:57:52",""
"7716964","13.6615","0.0006","9.207","0.0004","7.0197","0.0003","90","","101.967","0.004","90","","863.76","0.07","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 K O4 P -","- C4 H10 K O4 P -","- C16 H40 K4 O16 P4 -","4","1","","Kumar, Anuj; Ghatak, Aheli; Murugavel, Ramaswamy","Facile room-temperature synthesis of layered transition metal phosphonates <i>via</i> hitherto unknown alkali metal <i>tert</i>-butyl phosphonates.","Dalton transactions (Cambridge, England : 2003)","2024","53","34","14399","14410","10.1039/d4dt01668h","","x-ray","0.71073","MoKα","","0.0841","0.0815","","","0.2322","0.235","","","","","","1.115","","","","has coordinates","294368","2024-09-04","15:57:55",""
"7716965","14.5571","0.0005","6.79238","0.00016","13.4207","0.0003","90","","104.188","0.003","90","","1286.53","0.06","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H17 Na2 O7 P -","- C4 H11 Na2 O7 P -","- C16 H44 Na8 O28 P4 -","4","1","","Kumar, Anuj; Ghatak, Aheli; Murugavel, Ramaswamy","Facile room-temperature synthesis of layered transition metal phosphonates <i>via</i> hitherto unknown alkali metal <i>tert</i>-butyl phosphonates.","Dalton transactions (Cambridge, England : 2003)","2024","53","34","14399","14410","10.1039/d4dt01668h","","x-ray","0.71073","MoKα","","0.1029","0.0953","","","0.2483","0.2563","","","","","","1.11","","","","has coordinates","294368","2024-09-04","15:57:55",""
"7716966","8.9945","0.0011","8.9945","0.0011","8.9945","0.0011","90","","90","","90","","727.66","0.15","293","","293","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- Co1.7 Ni0.3 Zn11 -","- Co1.7 Ni0.3 Zn11 -","- Co6.8 Ni1.2 Zn44 -","4","0.0833333","","Mondal, Amit; Kuila, Sandip Kumar; Pan, Rahul; Patel, Shubham; Buxi, Krishnendu; Saha, Subhadip; Ghanta, Sivaprasad; Avdeev, Maxim; Jana, Partha Pratim","Understanding of magnetic behavior of the pseudo-binary Co<sub>2-<i>x</i></sub>Ni<sub><i>x</i></sub>Zn<sub>11</sub>: in the light of crystal and electronic structures.","Dalton transactions (Cambridge, England : 2003)","2024","53","34","14333","14346","10.1039/d4dt01498g","","x-ray","0.71073","MoKα","","0.0174","0.0157","","","0.0376","0.0384","","","","1.21","1.21","1.22","","","","has coordinates","294369","2024-09-04","15:58:34",""
"7716967","8.9778","0.0011","8.9778","0.0011","8.9778","0.0011","90","","90","","90","","723.62","0.15","293","","293","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- Co1.4 Ni0.6 Zn11 -","- Co1.4 Ni0.6 Zn11 -","- Co5.6 Ni2.4 Zn44 -","4","0.0833333","","Mondal, Amit; Kuila, Sandip Kumar; Pan, Rahul; Patel, Shubham; Buxi, Krishnendu; Saha, Subhadip; Ghanta, Sivaprasad; Avdeev, Maxim; Jana, Partha Pratim","Understanding of magnetic behavior of the pseudo-binary Co<sub>2-<i>x</i></sub>Ni<sub><i>x</i></sub>Zn<sub>11</sub>: in the light of crystal and electronic structures.","Dalton transactions (Cambridge, England : 2003)","2024","53","34","14333","14346","10.1039/d4dt01498g","","x-ray","0.71073","MoKα","","0.0089","0.0088","","","0.0278","0.0278","","","","1.06","1.06","1.06","","","","has coordinates","294369","2024-09-04","15:58:35",""
"7716968","8.9748","0.0011","8.9748","0.0011","8.9748","0.0011","90","","90","","90","","722.89","0.15","293","","293","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- Co1.1 Ni0.9 Zn11 -","- Co1.1 Ni0.9 Zn11 -","- Co4.4 Ni3.6 Zn44 -","4","0.0833333","","Mondal, Amit; Kuila, Sandip Kumar; Pan, Rahul; Patel, Shubham; Buxi, Krishnendu; Saha, Subhadip; Ghanta, Sivaprasad; Avdeev, Maxim; Jana, Partha Pratim","Understanding of magnetic behavior of the pseudo-binary Co<sub>2-<i>x</i></sub>Ni<sub><i>x</i></sub>Zn<sub>11</sub>: in the light of crystal and electronic structures.","Dalton transactions (Cambridge, England : 2003)","2024","53","34","14333","14346","10.1039/d4dt01498g","","x-ray","0.71073","MoKα","","0.0151","0.0137","","","0.0333","0.0344","","","","1.02","1.02","1.04","","","","has coordinates","294369","2024-09-04","15:58:35",""
"7716969","9.0033","0.0011","9.0033","0.0011","9.0033","0.0011","90","","90","","90","","729.8","0.15","293","","293","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- Co0.8 Ni1.2 Zn11 -","- Co0.8 Ni1.2 Zn11 -","- Co3.2 Ni4.8 Zn44 -","4","0.0833333","","Mondal, Amit; Kuila, Sandip Kumar; Pan, Rahul; Patel, Shubham; Buxi, Krishnendu; Saha, Subhadip; Ghanta, Sivaprasad; Avdeev, Maxim; Jana, Partha Pratim","Understanding of magnetic behavior of the pseudo-binary Co<sub>2-<i>x</i></sub>Ni<sub><i>x</i></sub>Zn<sub>11</sub>: in the light of crystal and electronic structures.","Dalton transactions (Cambridge, England : 2003)","2024","53","34","14333","14346","10.1039/d4dt01498g","","x-ray","0.71073","MoKα","","0.0166","0.0154","","","0.0405","0.0408","","","","1.43","1.43","1.41","","","","has coordinates","294369","2024-09-04","15:58:35",""
"7716970","19.6006","0.0009","9.2491","0.0004","17.4562","0.0012","90","","119.85","0.001","90","","2744.8","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H32 Cl2 N4 O14 Pd -","- C22 H32 Cl2 N4 O14 Pd -","- C88 H128 Cl8 N16 O56 Pd4 -","4","0.5","","Paderni, Daniele; Voccia, Maria; Macedi, Eleonora; Formica, Mauro; Giorgi, Luca; Caporaso, Lucia; Fusi, Vieri","A combined solid state, solution and DFT study of a dimethyl-cyclen-Pd(II) complex.","Dalton transactions (Cambridge, England : 2003)","2024","53","34","14300","14314","10.1039/d4dt01791a","","","1.54178","CuKα","","0.0399","0.0397","","","0.1109","0.1111","","","","","","1.063","","","","has coordinates","294370","2024-09-04","15:59:20",""
"7716971","14.1344","0.0016","11.0335","0.0012","20.579","0.002","90","","109.181","0.004","90","","3031.2","0.6","150","2","150","2","","","","","","","synthesis as described","8","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 B2 Cl12 F8 N4 O6 S2 -","- C42 H56 B2 Cl12 F8 N4 O6 S2 -","- C84 H112 B4 Cl24 F16 N8 O12 S4 -","2","0.5","","Parveen, Darakshan; Yadav, Rahul Kumar; Mondal, Bijan; Dallon, Marie; Sarazin, Yann; Roy, Dipak Kumar","Bis(diiminate)-based boron difluoro complexes: effective synthon for bis(borenium) cations.","Dalton transactions (Cambridge, England : 2003)","2024","53","34","14139","14143","10.1039/d4dt02050b","","x-ray","0.71073","MoKα","","0.0559","0.0397","","","0.0848","0.0936","","","","","","1.036","","","","has coordinates,has disorder","294371","2024-09-04","16:00:39",""
"7716972","17.9364","0.0015","7.0652","0.0006","13.0809","0.001","90","","104.394","0.003","90","","1605.6","0.2","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 B2 F4 N4 -","- C34 H40 B2 F4 N4 -","- C68 H80 B4 F8 N8 -","2","0.5","","Parveen, Darakshan; Yadav, Rahul Kumar; Mondal, Bijan; Dallon, Marie; Sarazin, Yann; Roy, Dipak Kumar","Bis(diiminate)-based boron difluoro complexes: effective synthon for bis(borenium) cations.","Dalton transactions (Cambridge, England : 2003)","2024","53","34","14139","14143","10.1039/d4dt02050b","","x-ray","0.71073","MoKα","","0.0482","0.044","","","0.1155","0.1188","","","","","","1.04","","","","has coordinates","294371","2024-09-04","16:00:41",""
"7716973","7.054","0.001","16.785","0.002","12.4247","0.0015","90","","96.9","0.005","90","","1460.4","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 B2 F4 N4 -","- C30 H40 B2 F4 N4 -","- C60 H80 B4 F8 N8 -","2","0.5","","Parveen, Darakshan; Yadav, Rahul Kumar; Mondal, Bijan; Dallon, Marie; Sarazin, Yann; Roy, Dipak Kumar","Bis(diiminate)-based boron difluoro complexes: effective synthon for bis(borenium) cations.","Dalton transactions (Cambridge, England : 2003)","2024","53","34","14139","14143","10.1039/d4dt02050b","","x-ray","0.71073","MoKα","","0.0532","0.0465","","","0.1229","0.1287","","","","","","1.038","","","","has coordinates","294371","2024-09-04","16:00:42",""
"7716974","8.627","0.003","15.411","0.005","16.562","0.005","90","","96.019","0.011","90","","2189.8","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H54 B2 F6 N4 O8 S2 -","- C38 H54 B2 F6 N4 O8 S2 -","- C76 H108 B4 F12 N8 O16 S4 -","2","0.5","","Parveen, Darakshan; Yadav, Rahul Kumar; Mondal, Bijan; Dallon, Marie; Sarazin, Yann; Roy, Dipak Kumar","Bis(diiminate)-based boron difluoro complexes: effective synthon for bis(borenium) cations.","Dalton transactions (Cambridge, England : 2003)","2024","53","34","14139","14143","10.1039/d4dt02050b","","","0.71073","MoKα","","0.0984","0.0496","","","0.0987","0.1116","","","","","","1.028","","","","has coordinates","294371","2024-09-04","16:00:43",""
"7716975","11.632","0.0007","14.7782","0.0007","10.9398","0.0007","90","","109.606","0.007","90","","1771.52","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H52 B2 F4 N4 -","- C36 H52 B2 F4 N4 -","- C72 H104 B4 F8 N8 -","2","0.5","","Parveen, Darakshan; Yadav, Rahul Kumar; Mondal, Bijan; Dallon, Marie; Sarazin, Yann; Roy, Dipak Kumar","Bis(diiminate)-based boron difluoro complexes: effective synthon for bis(borenium) cations.","Dalton transactions (Cambridge, England : 2003)","2024","53","34","14139","14143","10.1039/d4dt02050b","","x-ray","0.71073","MoKα","","0.0878","0.0577","","","0.1459","0.1629","","","","","","1.067","","","","has coordinates","294371","2024-09-04","16:00:44",""
"7716976","11.9019","0.0006","11.1915","0.0006","13.7561","0.0007","90","","92.162","0.002","90","","1831.01","0.16","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 Cl2 Co2 N5 -","- C15 H19 Cl2 Co2 N5 -","- C60 H76 Cl8 Co8 N20 -","4","1","","Xin, Xiaoqing; Sheng, Weiming; Zhang, Qian; Qi, Ruogu; Zhu, Qin; Zhu, Congqing","Synthesis and characterization of homometallic cobalt complexes with metal-metal interactions.","Dalton transactions (Cambridge, England : 2003)","2024","53","37","15696","15702","10.1039/d4dt01301h","","","0.71073","MoKα","","0.0398","0.0308","","","0.0774","0.0827","","","","","","1.026","","","","has coordinates","295288","2024-10-06","08:35:57",""
"7716977","22.4229","0.0013","9.8952","0.0006","19.0944","0.001","90","","103.532","0.003","90","","4119","0.4","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H38 Co4 I2 N10 O -","- C30 H38 Co4 I2 N10 O -","- C120 H152 Co16 I8 N40 O4 -","4","0.5","","Xin, Xiaoqing; Sheng, Weiming; Zhang, Qian; Qi, Ruogu; Zhu, Qin; Zhu, Congqing","Synthesis and characterization of homometallic cobalt complexes with metal-metal interactions.","Dalton transactions (Cambridge, England : 2003)","2024","53","37","15696","15702","10.1039/d4dt01301h","","","0.71073","MoKα","","0.0342","0.0255","","","0.0573","0.0606","","","","","","1.051","","","","has coordinates","295288","2024-10-06","08:36:06",""
"7716978","22.7129","0.0011","9.7358","0.0004","18.7476","0.0009","90","","102.994","0.003","90","","4039.5","0.3","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 Br2 Co4 N10 O -","- C30 H38 Br2 Co4 N10 O -","- C120 H152 Br8 Co16 N40 O4 -","4","0.5","","Xin, Xiaoqing; Sheng, Weiming; Zhang, Qian; Qi, Ruogu; Zhu, Qin; Zhu, Congqing","Synthesis and characterization of homometallic cobalt complexes with metal-metal interactions.","Dalton transactions (Cambridge, England : 2003)","2024","53","37","15696","15702","10.1039/d4dt01301h","","","0.71073","MoKα","","0.0452","0.0416","","","0.1119","0.1143","","","","","","1.037","","","","has coordinates","295288","2024-10-06","08:36:08",""
"7716979","12.9492","0.0004","12.5051","0.0004","18.215","0.0006","90","","106.817","0.001","90","","2823.43","0.16","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 Co2 N10 -","- C30 H38 Co2 N10 -","- C120 H152 Co8 N40 -","4","1","","Xin, Xiaoqing; Sheng, Weiming; Zhang, Qian; Qi, Ruogu; Zhu, Qin; Zhu, Congqing","Synthesis and characterization of homometallic cobalt complexes with metal-metal interactions.","Dalton transactions (Cambridge, England : 2003)","2024","53","37","15696","15702","10.1039/d4dt01301h","","","0.71073","MoKα","","0.0724","0.0454","","","0.1077","0.1233","","","","","","1.021","","","","has coordinates","295288","2024-10-06","08:36:19",""
"7716980","7.7894","0.0002","21.8151","0.0006","10.1789","0.0003","90","","98.8","0.001","90","","1709.3","0.08","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","GdF4BDC","","- C15 H8 F6 Gd N O8 -","- C15 H8 F6 Gd N O8 -","- C60 H32 F24 Gd4 N4 O32 -","4","1","","Trovarelli, Letizia; Mirarchi, Alessandra; Arcuri, Cataldo; Bruscoli, Stefano; Bereshchenko, Oxana; Febo, Marta; Carniato, Fabio; Costantino, Ferdinando","Relaxometric properties and biocompatibility of a novel nanostructured fluorinated gadolinium metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2024","53","38","15937","15945","10.1039/d4dt02134g","","","0.71073","MoKα","","0.0298","0.0247","","","0.0549","0.0577","","","","","","1.111","","","","has coordinates","295993","2024-11-19","10:16:58",""
"7716981","9.293","0.0013","14.602","0.002","16.484","0.002","97.361","0.002","100.37","0.002","99.751","0.002","2139.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H87.6 Cu13 Gd2 N20 O67.8 -","- C32 H87.596 Cu13 Gd2 N20 O67.798 -","- C32 H87.596 Cu13 Gd2 N20 O67.798 -","1","0.5","","Pavlishchuk, Anna V.; Kolotilov, Sergey V.; Zeller, Matthias; Pavlishchuk, Vitaly V.; Pointillart, Fabrice; Addison, Anthony W.","Magnetocaloric effect in 1D-polymers bearing 15-metallacrown-5 {GdCu<sub>5</sub>}<sup>3+</sup> units and anionic oxalate complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","37","15713","15724","10.1039/d4dt02413c","","","0.71073","MoKα","","0.0401","0.0306","","","0.0702","0.0766","","","","","","1.047","","","","has coordinates,has disorder","295240","2024-10-06","07:47:06",""
"7716982","8.803","0.002","13.995","0.004","16.256","0.004","92.029","0.009","99.867","0.009","104.771","0.009","1901.3","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H56 Cu13 Gd2 N20 O52 -","- C32 H56 Cu13 Gd2 N20 O52 -","- C32 H56 Cu13 Gd2 N20 O52 -","1","0.5","","Pavlishchuk, Anna V.; Kolotilov, Sergey V.; Zeller, Matthias; Pavlishchuk, Vitaly V.; Pointillart, Fabrice; Addison, Anthony W.","Magnetocaloric effect in 1D-polymers bearing 15-metallacrown-5 {GdCu<sub>5</sub>}<sup>3+</sup> units and anionic oxalate complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","37","15713","15724","10.1039/d4dt02413c","","","0.71073","MoKα","","0.2173","0.1273","","","0.3373","0.4062","","","","","","1.029","","","","has coordinates,has disorder","295240","2024-10-06","07:47:08",""
"7716983","13.547","0.003","25.425","0.006","14.885","0.003","90","","105.569","0.003","90","","4938.8","1.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H56.05 Cr Cu5 Gd N10 O40.02 -","- C16 H56.046 Cr Cu5 Gd N10 O40.023 -","- C64 H224.184 Cr4 Cu20 Gd4 N40 O160.092 -","4","1","","Pavlishchuk, Anna V.; Kolotilov, Sergey V.; Zeller, Matthias; Pavlishchuk, Vitaly V.; Pointillart, Fabrice; Addison, Anthony W.","Magnetocaloric effect in 1D-polymers bearing 15-metallacrown-5 {GdCu<sub>5</sub>}<sup>3+</sup> units and anionic oxalate complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","37","15713","15724","10.1039/d4dt02413c","","","0.71073","MoKα","","0.0506","0.0424","","","0.0854","0.0898","","","","","","1.207","","","","has coordinates,has disorder","295240","2024-10-06","07:47:16",""
"7716984","25.799","0.005","12.7842","0.0017","15.51","0.004","90","","122.528","0.014","90","","4313","1.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 Ag F3 N5 O2 -","- C21 H17 Ag F3 N5 O2 -","- C168 H136 Ag8 F24 N40 O16 -","8","1","","Scarpelli, Francesca; Crispini, Alessandra; Aiello, Iolinda; Godbert, Nicolas; Marchetti, Fabio; Xhafa, Sonila; De Filpo, Giovanni; Baratta, Mariafrancesca; Berardi, Riccardo; Alfano, Pasquale; Giorno, Eugenia","Bioactive Ag(i) coordination complexes as dopants for castor oil plasticized ethylcellulose films","Dalton Transactions","2024","53","38","15992","16004","10.1039/D4DT02201G","","","0.71073","MoKα","","0.0328","0.028","","","0.0702","0.0746","","","","","","1.07","","","","has coordinates","295274","2024-10-06","08:10:22",""
"7716985","7.7583","0.001","11.6991","0.0015","11.9243","0.0015","104.268","0.006","91.117","0.006","102.264","0.006","1022","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H19 Ag F3 N5 O2 -","- C18 H19 Ag F3 N5 O2 -","- C36 H38 Ag2 F6 N10 O4 -","2","1","","Scarpelli, Francesca; Crispini, Alessandra; Aiello, Iolinda; Godbert, Nicolas; Marchetti, Fabio; Xhafa, Sonila; De Filpo, Giovanni; Baratta, Mariafrancesca; Berardi, Riccardo; Alfano, Pasquale; Giorno, Eugenia","Bioactive Ag(i) coordination complexes as dopants for castor oil plasticized ethylcellulose films","Dalton Transactions","2024","53","38","15992","16004","10.1039/D4DT02201G","","","0.71073","MoKα","","0.0499","0.032","","","0.0749","0.0843","","","","","","1.001","","","","has coordinates","295274","2024-10-06","08:10:23",""
"7716986","26.2682","0.0012","26.2682","0.0012","26.2682","0.0012","90","","90","","90","","18125.5","1.4","100","2","100.15","","","","","","","","","8","F m -3 m","-F 4 2 3","225","","","","- C80 H98 Cu12 N2 O112 P V W11 -","- C80 H75.0024 Cu12 N2 O112 P V0.9996 W11.0004 -","- C320 H300.01 Cu48 N8 O448 P4 V3.9984 W44.0016 -","4","0.0208333","","Orozco, José C; Shuaib, Damola T.; Swenson, LaSalle; Chen, Ying-Pin; Chen, Yu-Sheng; Khan, M. Ishaque","Encapsulation of the vanadium substituted Keggin polyoxometalates [α-PVW<sub>11</sub>O<sub>40</sub>]<sup>4-</sup> and [α-PV<sub>2</sub>W<sub>10</sub>O<sub>40</sub>]<sup>5-</sup> in HKUST-1.","Dalton transactions (Cambridge, England : 2003)","2024","53","38","15913","15919","10.1039/d4dt01705f","","","0.41328","synchrotron","","0.0601","0.0486","","","0.1416","0.1594","","","","","","1.098","","","","has coordinates,has disorder","295276","2024-10-06","08:11:25",""
"7716987","26.2682","0.0012","26.2682","0.0012","26.2682","0.0012","90","","90","","90","","18125.5","1.4","100","2","100","2","","","","","","","","8","F m -3 m","-F 4 2 3","225","","","","- C80 H99 Cu12 N2 O114 P V2 W10 -","- C80 H82.5024 Cu12 N2 O114 P V2.0004 W9.9996 -","- C320 H330.01 Cu48 N8 O456.002 P4 V8.0016 W39.9984 -","4","0.0208333","","Orozco, José C; Shuaib, Damola T.; Swenson, LaSalle; Chen, Ying-Pin; Chen, Yu-Sheng; Khan, M. Ishaque","Encapsulation of the vanadium substituted Keggin polyoxometalates [α-PVW<sub>11</sub>O<sub>40</sub>]<sup>4-</sup> and [α-PV<sub>2</sub>W<sub>10</sub>O<sub>40</sub>]<sup>5-</sup> in HKUST-1.","Dalton transactions (Cambridge, England : 2003)","2024","53","38","15913","15919","10.1039/d4dt01705f","","","0.41328","synchrotron","","0.0691","0.0597","","","0.1709","0.1911","","","","","","1.172","","","","has coordinates,has disorder","295276","2024-10-06","08:11:25",""
"7716988","10.5953","0.0002","10.7947","0.0002","15.9552","0.0003","90.155","0.001","90.678","0.001","117.139","0.001","1623.75","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- H16 I8 Mo6 N4 O20 -","- I8 Mo6 N4 O20 -","- I16 Mo12 N8 O40 -","2","1","","Kozlova, Ksenia S.; Berezin, Alexey S.; Kuratieva, Natalia V.; Shestopalov, Michael A.; Ivanov, Anton A.","Octahedral molybdenum iodide clusters with pyrazole or pyrazolate ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","38","15959","15967","10.1039/d4dt01831a","","x-ray","0.71073","MoKα","","0.0369","0.0333","","","0.0817","0.0836","","","","","","1.08","","","","has coordinates,has disorder","295282","2024-10-06","08:14:17",""
"7716989","9.6328","0.0004","11.7341","0.0005","15.902","0.0007","88.59","0.002","86.932","0.002","88.658","0.002","1793.88","0.13","220","","220","","","","","","","","","5","P -1","-P 1","2","","","","- H32 I8 K2 Mo6 O19 -","- I8 K2 Mo6 O19 -","- I16 K4 Mo12 O38 -","2","1","","Kozlova, Ksenia S.; Berezin, Alexey S.; Kuratieva, Natalia V.; Shestopalov, Michael A.; Ivanov, Anton A.","Octahedral molybdenum iodide clusters with pyrazole or pyrazolate ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","38","15959","15967","10.1039/d4dt01831a","","","0.71073","MoKα","","0.0363","0.0279","","","0.0655","0.0681","","","","","","1.036","","","","has coordinates","295282","2024-10-06","08:14:18",""
"7716990","17.3571","0.0003","17.3571","0.0003","17.8314","0.0006","90","","90","","120","","4652.33","0.19","150","","150","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H42 I8 K2 Mo6 N24 -","- C36 H42 I8 K2.0004 Mo6 N24 -","- C108 H126 I24 K6.0012 Mo18 N72 -","3","0.166667","","Kozlova, Ksenia S.; Berezin, Alexey S.; Kuratieva, Natalia V.; Shestopalov, Michael A.; Ivanov, Anton A.","Octahedral molybdenum iodide clusters with pyrazole or pyrazolate ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","38","15959","15967","10.1039/d4dt01831a","","","0.71073","MoKα","","0.0325","0.0223","","","0.0448","0.0467","","","","","","1.088","","","","has coordinates","295282","2024-10-06","08:14:18",""
"7716991","11.0559","0.0003","11.5527","0.0003","24.1189","0.0006","90","","101.34","0.001","90","","3020.46","0.14","150","2","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 I8 Mo6 N24 O12 -","- C30 H40 I8 Mo6 N24 O12 -","- C60 H80 I16 Mo12 N48 O24 -","2","0.5","","Kozlova, Ksenia S.; Berezin, Alexey S.; Kuratieva, Natalia V.; Shestopalov, Michael A.; Ivanov, Anton A.","Octahedral molybdenum iodide clusters with pyrazole or pyrazolate ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","38","15959","15967","10.1039/d4dt01831a","","","0.71073","MoKα","","0.0505","0.0306","","","0.0586","0.0617","","","","","","1.068","","","","has coordinates,has disorder","295282","2024-10-06","08:14:18",""
"7716992","7.5437","0.0004","11.557","0.0005","18.4337","0.0009","90","","92.388","0.002","90","","1605.7","0.14","223.15","","223.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H19 Br Cl4 Fe N -","- C8 H19 Br Cl4 Fe N -","- C32 H76 Br4 Cl16 Fe4 N4 -","4","1","","Chen, Jian; Cai, Zhuoer; Zhang, Yinan; He, Xiaofan; Hua, Xiu-Ni; Sun, Baiwang","High-temperature giant dielectric switching in an organic–inorganic hybrid material","Dalton Transactions","2024","53","37","15725","15731","10.1039/D4DT02112F","","","0.71073","MoKα","","0.0964","0.056","","","0.1458","0.1732","","","","","","1.019","","","","has coordinates","295239","2024-10-06","07:45:22",""
"7716993","35.2452","0.0009","21.1687","0.0005","21.4434","0.0004","90","","90.122","0.0009","90","","15998.8","0.6","150","2","150","","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C12 H10 Co2 K5 Na4 O109 P6 W24 -","- C12 H10 Co2 K5 Na4 O109 P6 W24 -","- C48 H40 Co8 K20 Na16 O436 P24 W96 -","4","0.5","","Liu, Jiayu; Lei, Wenjing; Zhang, Shihao; Li, Huafeng; Liu, Siyu; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","A Dawson-type {P<sub>4</sub>W<sub>24</sub>} modified using phenylphosphonic acid with excellent proton conductivity.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16212","16218","10.1039/d4dt01775g","","","0.71073","MoKα","","0.0978","0.0845","","","0.2179","0.2356","","","","","","0.995","","","","has coordinates,has disorder","296545","2024-12-06","18:36:25",""
"7716994","10.2869","0.0003","10.782","0.0004","16.6308","0.0005","84.636","0.001","80.286","0.001","70.648","0.001","1714.01","0.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H42 N2 Zn -","- C45 H42 N2 Zn -","- C90 H84 N4 Zn2 -","2","1","","Xu, Xuejuan; Parmentier, Jordan; Gourlaouen, Christophe; Jacques, Béatrice; Dagorne, Samuel","Low coordinate Zn(II) organocations bearing extremely bulky NHC ligands: structural features, air-/water-tolerance and use in hydrosilylation and hydrogenation catalysis.","Dalton transactions (Cambridge, England : 2003)","2024","53","38","15849","15858","10.1039/d4dt02152e","","","0.71073","MoKα","","0.0404","0.0364","","","0.1051","0.1084","","","","","","1.049","","","","has coordinates","295279","2024-10-06","08:13:05",""
"7716995","13.6938","0.0006","15.171","0.0006","15.3762","0.0007","77.32","0.001","71.615","0.002","66.508","0.001","2763.9","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H35 B F20 N2 Zn -","- C66 H35 B F20 N2 Zn -","- C132 H70 B2 F40 N4 Zn2 -","2","1","","Xu, Xuejuan; Parmentier, Jordan; Gourlaouen, Christophe; Jacques, Béatrice; Dagorne, Samuel","Low coordinate Zn(II) organocations bearing extremely bulky NHC ligands: structural features, air-/water-tolerance and use in hydrosilylation and hydrogenation catalysis.","Dalton transactions (Cambridge, England : 2003)","2024","53","38","15849","15858","10.1039/d4dt02152e","","","0.71073","MoKα","","0.0384","0.0365","","","0.0935","0.0954","","","","","","1.029","","","","has coordinates","295279","2024-10-06","08:13:05",""
"7716996","12.4956","0.0003","21.2784","0.0006","17.7779","0.0005","90","","97.558","0.001","90","","4685.8","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H37 B F20 N2 Zn -","- C49 H37 B F20 N2 Zn -","- C196 H148 B4 F80 N8 Zn4 -","4","1","","Xu, Xuejuan; Parmentier, Jordan; Gourlaouen, Christophe; Jacques, Béatrice; Dagorne, Samuel","Low coordinate Zn(II) organocations bearing extremely bulky NHC ligands: structural features, air-/water-tolerance and use in hydrosilylation and hydrogenation catalysis.","Dalton transactions (Cambridge, England : 2003)","2024","53","38","15849","15858","10.1039/d4dt02152e","","","0.71073","MoKα","","0.0491","0.0373","","","0.0891","0.0966","","","","","","1.02","","","","has coordinates,has disorder","295279","2024-10-06","08:13:05",""
"7716997","13.983","0.0006","14.5294","0.0006","17.751","0.0008","72.815","0.002","79.364","0.002","66.325","0.001","3146.4","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C71 H32 B F25 N2 Zn -","- C71 H32 B F25 N2 Zn -","- C142 H64 B2 F50 N4 Zn2 -","2","1","","Xu, Xuejuan; Parmentier, Jordan; Gourlaouen, Christophe; Jacques, Béatrice; Dagorne, Samuel","Low coordinate Zn(II) organocations bearing extremely bulky NHC ligands: structural features, air-/water-tolerance and use in hydrosilylation and hydrogenation catalysis.","Dalton transactions (Cambridge, England : 2003)","2024","53","38","15849","15858","10.1039/d4dt02152e","","","0.71073","MoKα","","0.035","0.0299","","","0.0723","0.076","","","","","","1.027","","","","has coordinates","295279","2024-10-06","08:13:05",""
"7716998","12.4064","0.0004","16.6548","0.0005","29.3148","0.0011","82.936","0.001","82.64","0.001","73.78","0.001","5744","0.3","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C132 H70 B2 Cl4 F40 N4 O2 Zn2 -","- C132 H70 B2 Cl4 F40 N4 O2 Zn2 -","- C264 H140 B4 Cl8 F80 N8 O4 Zn4 -","2","1","","Xu, Xuejuan; Parmentier, Jordan; Gourlaouen, Christophe; Jacques, Béatrice; Dagorne, Samuel","Low coordinate Zn(II) organocations bearing extremely bulky NHC ligands: structural features, air-/water-tolerance and use in hydrosilylation and hydrogenation catalysis.","Dalton transactions (Cambridge, England : 2003)","2024","53","38","15849","15858","10.1039/d4dt02152e","","","0.71073","MoKα","","0.0896","0.0509","","","0.0917","0.1091","","","","","","1.053","","","","has coordinates,has disorder","295279","2024-10-06","08:13:05",""
"7716999","13.6401","0.0006","15.135","0.0005","29.7202","0.0013","91.475","0.001","96.885","0.002","112.9","0.001","5593.6","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H37 B F20 N2 Zn -","- C67 H37 B F20 N2 Zn -","- C268 H148 B4 F80 N8 Zn4 -","4","2","","Xu, Xuejuan; Parmentier, Jordan; Gourlaouen, Christophe; Jacques, Béatrice; Dagorne, Samuel","Low coordinate Zn(II) organocations bearing extremely bulky NHC ligands: structural features, air-/water-tolerance and use in hydrosilylation and hydrogenation catalysis.","Dalton transactions (Cambridge, England : 2003)","2024","53","38","15849","15858","10.1039/d4dt02152e","","","0.71073","MoKα","","0.0379","0.0331","","","0.089","0.0933","","","","","","1.04","","","","has coordinates","295279","2024-10-06","08:13:05",""
"7717000","10.4067","0.0005","14.5674","0.0007","16.9951","0.0009","75.868","0.002","81.87","0.002","79.324","0.002","2442.7","0.2","296","2","296","","","","","","","","","7","P -1","-P 1","2","","","","- C51 H54 B Cl2 Dy N6 O4 -","- C51 H54 B Cl2 Dy N6 O4 -","- C102 H108 B2 Cl4 Dy2 N12 O8 -","2","1","","Zhou, Xuejuan; Qin, Huiliang; Zeng, Zhaopeng; Luo, Shuchang; Yang, Tao; Cen, Peipei; Liu, Xiangyu","Modulation of the magnetic properties of mononuclear Dy(III) complexes by tuning the coordination geometry and local symmetry.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16219","16228","10.1039/d4dt02135e","","","0.71073","MoKα","","0.0475","0.0348","","","0.07","0.0749","","","","","","1.06","","","","has coordinates","296551","2024-12-06","18:42:46",""
"7717001","12.6622","0.0007","18.6466","0.0012","19.8147","0.0013","105.48","0.002","91.339","0.002","103.205","0.002","4371.7","0.5","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C68 H69 Cl8 Dy2 F12 N16 O17 P2 -","- C68 H69 Cl8 Dy2 F12 N16 O17 P2 -","- C136 H138 Cl16 Dy4 F24 N32 O34 P4 -","2","1","","Zhou, Xuejuan; Qin, Huiliang; Zeng, Zhaopeng; Luo, Shuchang; Yang, Tao; Cen, Peipei; Liu, Xiangyu","Modulation of the magnetic properties of mononuclear Dy(III) complexes by tuning the coordination geometry and local symmetry.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16219","16228","10.1039/d4dt02135e","","","0.71073","MoKα","","0.0507","0.0398","","","0.0988","0.1056","","","","","","1.078","","","","has coordinates,has disorder","296551","2024-12-06","18:42:46",""
"7717002","12.429","0.005","16.344","0.006","30.943","0.01","90","","93.964","0.012","90","","6271","4","296","","296","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H54 B Cl8 Dy N8 O6 -","- C60 H54 B Cl8 Dy N8 O6 -","- C240 H216 B4 Cl32 Dy4 N32 O24 -","4","1","","Zhou, Xuejuan; Qin, Huiliang; Zeng, Zhaopeng; Luo, Shuchang; Yang, Tao; Cen, Peipei; Liu, Xiangyu","Modulation of the magnetic properties of mononuclear Dy(III) complexes by tuning the coordination geometry and local symmetry.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16219","16228","10.1039/d4dt02135e","","","0.71073","MoKα","","0.0467","0.0417","","","0.1101","0.1131","","","","","","1.131","","","","has coordinates,has disorder","296551","2024-12-06","18:42:46",""
"7717003","21.4451","0.0002","10.292","0.0001","25.0566","0.0003","90","","108.321","0.001","90","","5249.99","0.1","173","0.1","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H80 Cl3 Co N4 P2 Si2 -","- C44 H80 Cl3 Co N4 P2 Si2 -","- C176 H320 Cl12 Co4 N16 P8 Si8 -","4","1","","Fan, Qingqing; Li, Qingshuang; Sun, Hongjian; Li, Xiaoyan","Dinitrogen silylation catalyzed by silylene cobalt(I) and silylene iron(I) chlorides.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16261","16270","10.1039/d4dt02057j","","","1.54184","CuKα","","0.0423","0.0372","","","0.0944","0.0973","","","","","","1.035","","","","has coordinates,has disorder","296553","2024-12-06","18:44:20",""
"7717004","13.654","0.0001","20.1812","0.0002","16.8073","0.0002","90","","92.5","0.001","90","","4626.91","0.08","173","0.1","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H68 Cl3 Co N4 P2 Si2 -","- C38 H68 Cl3 Co N4 P2 Si2 -","- C152 H272 Cl12 Co4 N16 P8 Si8 -","4","1","","Fan, Qingqing; Li, Qingshuang; Sun, Hongjian; Li, Xiaoyan","Dinitrogen silylation catalyzed by silylene cobalt(I) and silylene iron(I) chlorides.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16261","16270","10.1039/d4dt02057j","","","1.54184","CuKα","","0.0565","0.048","","","0.1273","0.1316","","","","","","1.023","","","","has coordinates","296553","2024-12-06","18:44:20",""
"7717005","13.6644","0.0002","20.274","0.0003","16.7641","0.0002","90","","92.553","0.001","90","","4639.58","0.11","173","0.1","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H68 Cl3 Fe N4 P2 Si2 -","- C38 H68 Cl3 Fe N4 P2 Si2 -","- C152 H272 Cl12 Fe4 N16 P8 Si8 -","4","1","","Fan, Qingqing; Li, Qingshuang; Sun, Hongjian; Li, Xiaoyan","Dinitrogen silylation catalyzed by silylene cobalt(I) and silylene iron(I) chlorides.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16261","16270","10.1039/d4dt02057j","","","1.54184","CuKα","","0.0577","0.0499","","","0.1381","0.1439","","","","","","1.033","","","","has coordinates","296553","2024-12-06","18:44:20",""
"7717006","21.6307","0.0004","10.3205","0.0002","24.7701","0.0005","90","","111.412","0.002","90","","5148.01","0.19","173.01","0.18","173.15","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C44 H80 Cl3 Fe N4 P2 Si2 -","- C44 H80 Cl3 Fe N4 P2 Si2 -","- C176 H320 Cl12 Fe4 N16 P8 Si8 -","4","0.5","","Fan, Qingqing; Li, Qingshuang; Sun, Hongjian; Li, Xiaoyan","Dinitrogen silylation catalyzed by silylene cobalt(I) and silylene iron(I) chlorides.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16261","16270","10.1039/d4dt02057j","","","1.54184","CuKα","","0.0629","0.0572","","","0.1657","0.171","","","","","","1.073","","","","has coordinates","296553","2024-12-06","18:44:20",""
"7717007","8.3946","0.0002","12.6338","0.0003","16.1582","0.0005","103.911","0.002","90.528","0.002","93.576","0.002","1659.65","0.08","200","0.1","200","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C9 H11 Cl2 Sb -","- C9 H11 Cl2 Sb -","- C54 H66 Cl12 Sb6 -","6","3","","Krieft, Jonas; Koch, Hannah; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mix, Andreas; Mitzel, Norbert W.","Adducts of Lewis acidic stibanes with phosphane chalcogenides.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16280","16286","10.1039/d4dt02268h","","x-ray","0.71073","MoKα","","0.0621","0.0348","","","0.0668","0.0784","","","","","","1.03","","","","has coordinates","296550","2024-12-06","18:40:39",""
"7717008","21.3245","0.0012","14.463","0.0006","9.6209","0.0004","90","","101.045","0.005","90","","2912.3","0.2","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 Cl F12 O P Sb -","- C24 H25 Cl F12 O P Sb -","- C96 H100 Cl4 F48 O4 P4 Sb4 -","4","1","","Krieft, Jonas; Koch, Hannah; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mix, Andreas; Mitzel, Norbert W.","Adducts of Lewis acidic stibanes with phosphane chalcogenides.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16280","16286","10.1039/d4dt02268h","","x-ray","0.71073","MoKα","","0.0998","0.0853","","","0.1848","0.1924","","","","","","1.124","","","","has coordinates,has disorder","296550","2024-12-06","18:40:39",""
"7717009","17.0987","0.0004","16.0064","0.0003","9.265","0.0002","90","","98.062","0.002","90","","2510.66","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 F12 Sb -","- C25 H17 F12 Sb -","- C100 H68 F48 Sb4 -","4","1","","Krieft, Jonas; Koch, Hannah; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mix, Andreas; Mitzel, Norbert W.","Adducts of Lewis acidic stibanes with phosphane chalcogenides.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16280","16286","10.1039/d4dt02268h","","x-ray","0.71073","MoKα","","0.044","0.0316","","","0.0672","0.0729","","","","","","1.044","","","","has coordinates,has disorder","296550","2024-12-06","18:40:39",""
"7717010","8.86176","0.00013","10.95308","0.00016","11.95144","0.00013","105.376","0.0011","102.928","0.0011","108.446","0.0013","999.25","0.03","202","140","202","140","","","","","","","","7","P -1","-P 1","2","","","","- C12 H19 Cl F10 P S Sb -","- C12 H19 Cl F10 P S Sb -","- C24 H38 Cl2 F20 P2 S2 Sb2 -","2","1","","Krieft, Jonas; Koch, Hannah; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mix, Andreas; Mitzel, Norbert W.","Adducts of Lewis acidic stibanes with phosphane chalcogenides.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16280","16286","10.1039/d4dt02268h","","x-ray","0.71073","MoKα","","0.0287","0.0229","","","0.0477","0.05","","","","","","1.062","","","","has coordinates","296550","2024-12-06","18:40:39",""
"7717011","7.7947","0.0003","17.4038","0.0007","15.4407","0.0006","90","","97.791","0.004","90","","2075.31","0.14","173","0.1","173","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H19 Cl F10 O P Sb -","- C12 H19 Cl F10 O P Sb -","- C48 H76 Cl4 F40 O4 P4 Sb4 -","4","1","","Krieft, Jonas; Koch, Hannah; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mix, Andreas; Mitzel, Norbert W.","Adducts of Lewis acidic stibanes with phosphane chalcogenides.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16280","16286","10.1039/d4dt02268h","","x-ray","0.71073","MoKα","","0.0488","0.0328","","","0.0711","0.0809","","","","","","1.057","","","","has coordinates,has disorder","296550","2024-12-06","18:40:39",""
"7717012","8.7491","0.0001","8.526","0.0001","24.6722","0.0003","90","","90","","90","","1840.42","0.04","100","0.1","100","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H6 Cl F12 Sb -","- C16 H6 Cl F12 Sb -","- C64 H24 Cl4 F48 Sb4 -","4","1","","Krieft, Jonas; Koch, Hannah; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mix, Andreas; Mitzel, Norbert W.","Adducts of Lewis acidic stibanes with phosphane chalcogenides.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16280","16286","10.1039/d4dt02268h","","x-ray","0.71073","MoKα","","0.0248","0.0211","","","0.0428","0.0441","","","","","","1.087","","","","has coordinates,has disorder","296550","2024-12-06","18:40:39",""
"7717013","12.351","0.004","20.7885","0.0015","13.006","0.003","90","","113.5","0.03","90","","3062.4","1.4","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 Cl F12 P S Sb -","- C24 H25 Cl F12 P S Sb -","- C96 H100 Cl4 F48 P4 S4 Sb4 -","4","1","","Krieft, Jonas; Koch, Hannah; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mix, Andreas; Mitzel, Norbert W.","Adducts of Lewis acidic stibanes with phosphane chalcogenides.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16280","16286","10.1039/d4dt02268h","","x-ray","0.71073","MoKα","","0.0549","0.0398","","","0.0833","0.0893","","","","","","1.132","","","","has coordinates,has disorder","296550","2024-12-06","18:40:39",""
"7717014","6.5071","0.0003","14.7672","0.0005","9.8826","0.0005","90","","106.47","0.005","90","","910.67","0.07","140","0.1","140","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H F10 Sb -","- C4 H F10 Sb -","- C16 H4 F40 Sb4 -","4","1","","Krieft, Jonas; Koch, Hannah; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mix, Andreas; Mitzel, Norbert W.","Adducts of Lewis acidic stibanes with phosphane chalcogenides.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16280","16286","10.1039/d4dt02268h","","x-ray","0.71073","MoKα","","0.0285","0.0227","","","0.0459","0.0485","","","","","","1.0659","","","","has coordinates,has disorder","296550","2024-12-06","18:40:39",""
"7717015","9.9004","0.0002","10.4822","0.0001","9.7501","0.0002","90","","106.183","0.002","90","","971.75","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 Cl F10 Sb -","- C4 Cl F10 Sb -","- C16 Cl4 F40 Sb4 -","4","1","","Krieft, Jonas; Koch, Hannah; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mix, Andreas; Mitzel, Norbert W.","Adducts of Lewis acidic stibanes with phosphane chalcogenides.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16280","16286","10.1039/d4dt02268h","","x-ray","0.71073","MoKα","","0.0201","0.0185","","","0.0395","0.0402","","","","","","1.0289","","","","has coordinates","296550","2024-12-06","18:40:39",""
"7717016","8.8214","0.0001","15.6118","0.0002","11.649","0.0001","90","","94.686","0.001","90","","1598.91","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 F10 Sb -","- C13 H11 F10 Sb -","- C52 H44 F40 Sb4 -","4","1","","Krieft, Jonas; Koch, Hannah; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mix, Andreas; Mitzel, Norbert W.","Adducts of Lewis acidic stibanes with phosphane chalcogenides.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16280","16286","10.1039/d4dt02268h","","x-ray","0.71073","MoKα","","0.025","0.0223","","","0.0555","0.0572","","","","","","1.0542","","","","has coordinates","296550","2024-12-06","18:40:39",""
"7717017","7.2842","0.0005","9.9259","0.0006","15.0111","0.0009","94.948","0.003","94.001","0.003","96.798","0.003","1070.17","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","TK-326","","- C18 H24 N2 P2 S4 -","- C18 H24 N2 P2 S4 -","- C36 H48 N4 P4 S8 -","2","1","","Kalisch, Tim; Schnakenburg, Gregor; Nikonov, Georgii I.; Streubel, Rainer","[4 + 1]- and [4 + 2]-cycloadditions of a thiazole-2-thione-based 1,4-diphosphinine - broadening the scope.","Dalton transactions (Cambridge, England : 2003)","2024","53","38","16018","16022","10.1039/d4dt02029d","","x-ray","0.71073","MoKα","","0.0354","0.0297","","","0.0712","0.0747","","","","","","1.023","","","","has coordinates,has disorder","295283","2024-10-06","08:14:34",""
"7717018","8.3076","0.0003","10.2906","0.0004","15.3615","0.0006","102.542","0.003","101.566","0.003","106.023","0.003","1183.7","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","KT-374","","- C18 H26 N2 P2 S4 -","- C18 H26 N2 P2 S4 -","- C36 H52 N4 P4 S8 -","2","1","","Kalisch, Tim; Schnakenburg, Gregor; Nikonov, Georgii I.; Streubel, Rainer","[4 + 1]- and [4 + 2]-cycloadditions of a thiazole-2-thione-based 1,4-diphosphinine - broadening the scope.","Dalton transactions (Cambridge, England : 2003)","2024","53","38","16018","16022","10.1039/d4dt02029d","","","1.54186","CuKα","","0.0439","0.0387","","","0.1082","0.1125","","","","","","1.051","","","","has coordinates","295283","2024-10-06","08:14:35",""
"7717019","9.167","0.003","13.791","0.005","18.034","0.006","107.196","0.006","103.478","0.006","94.662","0.007","2090.1","1.2","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H46 Au F6 P3 -","- C46 H46 Au F6 P3 -","- C92 H92 Au2 F12 P6 -","2","1","","Yang, Jeannine; Soep, Clément; Forté, Jérémy; Dossmann, Héloïse; Bertrand, Benoît","Post-metallation functionalization of the [(C^C)Au(P^P)]<sup>+</sup> scaffold through a hydrothiolation reaction.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16144","16148","10.1039/d4dt02092h","","","0.71073","MoKα","","0.0842","0.0544","","","0.0794","0.0879","","","","","","1.026","","","","has coordinates","296543","2024-12-06","18:35:32",""
"7717020","20.5099","0.0007","18.1939","0.0007","14.1942","0.0006","90","","90","","90","","5296.6","0.4","200.01","","200.01","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C52.45 H53.8 Au Cl F6 P3 S0.85 -","- C52.45 H53.8 Au Cl F6 P3 S0.85 -","- C209.8 H215.2 Au4 Cl4 F24 P12 S3.4 -","4","1","","Yang, Jeannine; Soep, Clément; Forté, Jérémy; Dossmann, Héloïse; Bertrand, Benoît","Post-metallation functionalization of the [(C^C)Au(P^P)]<sup>+</sup> scaffold through a hydrothiolation reaction.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16144","16148","10.1039/d4dt02092h","","","1.54178","CuKα","","0.0367","0.0345","","","0.0925","0.0939","","","","","","1.065","","","","has coordinates,has disorder","296543","2024-12-06","18:35:33",""
"7717021","9.9276","0.0009","10.8859","0.001","22.748","0.002","100.721","0.001","92.65","0.002","91.87","0.002","2410.8","0.4","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C47.5 H50.5 Au F6 O0.75 P3 S0.75 -","- C47.5 H50.5 Au F6 O0.75 P3 S0.75 -","- C95 H101 Au2 F12 O1.5 P6 S1.5 -","2","1","","Yang, Jeannine; Soep, Clément; Forté, Jérémy; Dossmann, Héloïse; Bertrand, Benoît","Post-metallation functionalization of the [(C^C)Au(P^P)]<sup>+</sup> scaffold through a hydrothiolation reaction.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16144","16148","10.1039/d4dt02092h","","","0.71073","MoKα","","0.0936","0.0699","","","0.1643","0.1727","","","","","","1.213","","","","has coordinates,has disorder","296543","2024-12-06","18:35:33",""
"7717022","42.5037","0.0014","10.6374","0.0003","30.6654","0.001","90","","124.544","0.002","90","","11420.2","0.7","200.03","","200.03","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C54.25 H56.5 Au Cl4.5 F6 P3 S -","- C54.25 H56.5 Au Cl4.5 F6 P3 S -","- C434 H452 Au8 Cl36 F48 P24 S8 -","8","1","","Yang, Jeannine; Soep, Clément; Forté, Jérémy; Dossmann, Héloïse; Bertrand, Benoît","Post-metallation functionalization of the [(C^C)Au(P^P)]<sup>+</sup> scaffold through a hydrothiolation reaction.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16144","16148","10.1039/d4dt02092h","","","1.54178","CuKα","","0.0731","0.0628","","","0.1495","0.156","","","","","","1.127","","","","has coordinates,has disorder","296543","2024-12-06","18:35:33",""
"7717023","13.028","0.003","19.334","0.004","25.637","0.005","90","","101.28","0.03","90","","6333","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H56 B F24 Fe N2 -","- C66 H56 B F24 Fe N2 -","- C264 H224 B4 F96 Fe4 N8 -","4","1","","Schulz, Annika; Hadlington, Terrance J.","Analogous carbene-stabilised [M<sup>I</sup>-(η<sup>6</sup>-tol)]<sup>+</sup> cations (M = Fe, Co, Ni): synthetic access and [carbene·M<sup>I</sup>]<sup>+</sup> transfer.","Dalton transactions (Cambridge, England : 2003)","2024","53","38","15795","15800","10.1039/d4dt02372b","","","0.71073","MoKα","","0.1333","0.0577","","","0.1285","0.1554","","","","","","0.936","","","","has coordinates,has disorder","295278","2024-10-06","08:12:09",""
"7717024","12.96","0.003","19.24","0.004","25.71","0.005","90","","101.1","0.03","90","","6291","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H56 B F24 N2 Ni -","- C66 H56.0012 B F24 N2 Ni -","- C264 H224.005 B4 F96 N8 Ni4 -","4","1","","Schulz, Annika; Hadlington, Terrance J.","Analogous carbene-stabilised [M<sup>I</sup>-(η<sup>6</sup>-tol)]<sup>+</sup> cations (M = Fe, Co, Ni): synthetic access and [carbene·M<sup>I</sup>]<sup>+</sup> transfer.","Dalton transactions (Cambridge, England : 2003)","2024","53","38","15795","15800","10.1039/d4dt02372b","","","0.71073","MoKα","","0.0979","0.0634","","","0.1718","0.1923","","","","","","1.045","","","","has coordinates,has disorder","295278","2024-10-06","08:12:09",""
"7717025","16.648","0.003","28.616","0.006","17.924","0.004","90","","90.43","0.03","90","","8539","3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H84 B F24 Fe N4 -","- C86 H84 B F24 Fe N4 -","- C344 H336 B4 F96 Fe4 N16 -","4","1","","Schulz, Annika; Hadlington, Terrance J.","Analogous carbene-stabilised [M<sup>I</sup>-(η<sup>6</sup>-tol)]<sup>+</sup> cations (M = Fe, Co, Ni): synthetic access and [carbene·M<sup>I</sup>]<sup>+</sup> transfer.","Dalton transactions (Cambridge, England : 2003)","2024","53","38","15795","15800","10.1039/d4dt02372b","","","0.71073","MoKα","","0.1053","0.0718","","","0.1999","0.2276","","","","","","1.059","","","","has coordinates,has disorder","295278","2024-10-06","08:12:09",""
"7717026","16.69","0.003","28.58","0.006","17.9","0.004","90","","90.4","0.03","90","","8538","3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H84 B F24 N4 Ni -","- C86 H84 B F24 N4 Ni -","- C344 H336 B4 F96 N16 Ni4 -","4","1","","Schulz, Annika; Hadlington, Terrance J.","Analogous carbene-stabilised [M<sup>I</sup>-(η<sup>6</sup>-tol)]<sup>+</sup> cations (M = Fe, Co, Ni): synthetic access and [carbene·M<sup>I</sup>]<sup>+</sup> transfer.","Dalton transactions (Cambridge, England : 2003)","2024","53","38","15795","15800","10.1039/d4dt02372b","","","0.71073","MoKα","","0.138","0.0718","","","0.1942","0.2316","","","","","","1.039","","","","has coordinates,has disorder","295278","2024-10-06","08:12:09",""
"7717027","16.638","0.003","28.489","0.006","17.907","0.004","90","","90.44","0.03","90","","8488","3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H84 B Co F24 N4 -","- C86 H84 B Co F24 N4 -","- C344 H336 B4 Co4 F96 N16 -","4","1","","Schulz, Annika; Hadlington, Terrance J.","Analogous carbene-stabilised [M<sup>I</sup>-(η<sup>6</sup>-tol)]<sup>+</sup> cations (M = Fe, Co, Ni): synthetic access and [carbene·M<sup>I</sup>]<sup>+</sup> transfer.","Dalton transactions (Cambridge, England : 2003)","2024","53","38","15795","15800","10.1039/d4dt02372b","","","0.71073","MoKα","","0.1808","0.081","","","0.209","0.2712","","","","","","1.026","","","","has coordinates,has disorder","295278","2024-10-06","08:12:09",""
"7717028","12.97","0.003","19.245","0.004","25.726","0.005","90","","101.04","0.03","90","","6303","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H56 B Co F24 N2 -","- C66 H56 B Co F24 N2 -","- C264 H224 B4 Co4 F96 N8 -","4","1","","Schulz, Annika; Hadlington, Terrance J.","Analogous carbene-stabilised [M<sup>I</sup>-(η<sup>6</sup>-tol)]<sup>+</sup> cations (M = Fe, Co, Ni): synthetic access and [carbene·M<sup>I</sup>]<sup>+</sup> transfer.","Dalton transactions (Cambridge, England : 2003)","2024","53","38","15795","15800","10.1039/d4dt02372b","","","0.71073","MoKα","","0.1124","0.0582","","","0.136","0.1587","","","","","","1.028","","","","has coordinates,has disorder","295278","2024-10-06","08:12:09",""
"7717029","21.4028","0.0008","22.6225","0.0009","13.9791","0.0006","90","","90","","90","","6768.5","0.5","100","2","100","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","CuBetTfN","","- C15 H26 Cu F12 N4 O13 S4 -","- C15 H26 Cu F12 N4 O13 S4 -","- C120 H208 Cu8 F96 N32 O104 S32 -","8","1","","Guglielmero, Luca; Ciccone, Lidia; Mezzetta, Andrea; D'Andrea, Felicia; Guazzelli, Lorenzo; Pomelli, Christian Silvio","Synthesis and characterization of divalent metal-betaine-bistriflimide complexes: a property comparison with metal bistriflimide salts.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16693","16708","10.1039/d4dt01950d","","","0.71073","MoKα","","0.0365","0.0308","","","0.0819","0.086","","","","","","1.003","","","","has coordinates","296592","2024-12-06","19:04:37",""
"7717030","9.0322","0.0002","15.1177","0.0004","15.2478","0.0004","105.427","0.001","105.078","0.001","101.074","0.001","1860","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","CaBetTfN_2","","- C19 H33 Ca F12 N5 O14 S4 -","- C19 H33 Ca F12 N5 O14 S4 -","- C38 H66 Ca2 F24 N10 O28 S8 -","2","1","","Guglielmero, Luca; Ciccone, Lidia; Mezzetta, Andrea; D'Andrea, Felicia; Guazzelli, Lorenzo; Pomelli, Christian Silvio","Synthesis and characterization of divalent metal-betaine-bistriflimide complexes: a property comparison with metal bistriflimide salts.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16693","16708","10.1039/d4dt01950d","","","0.71073","MoKα","","0.0362","0.0324","","","0.0801","0.0826","","","","","","1.049","","","","has coordinates","296592","2024-12-06","19:04:37",""
"7717031","11.757","0.002","17.831","0.003","18.477","0.003","92.962","0.011","105.097","0.013","90.746","0.013","3733.4","1.1","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H38 Br Mn N2 O2 P2 -","- C42 H38 Br Mn N2 O2 P2 -","- C168 H152 Br4 Mn4 N8 O8 P8 -","4","2","","Zhang, Yu; Li, Bin; Wang, Tao; Duan, Ning; Zheng, Jianwei; Li, Hao; Zhang, Fengjun; Fang, Xiaolong","Efficient hydrogenation of ketones over the diaminophosphino manganese complex.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16475","16479","10.1039/d4dt02297a","","x-ray","1.54186","CuKα","","0.1294","0.0756","","","0.1906","0.2572","","","","","","1.037","","","","has coordinates","296588","2024-12-06","19:02:56",""
"7717032","12.6333","0.0012","13.9675","0.0015","14.1353","0.0015","71.891","0.003","84.233","0.003","65.507","0.003","2156.2","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H33 Br Cl Co N6 O6 -","- C46 H33 Br Cl Co N6 O6 -","- C92 H66 Br2 Cl2 Co2 N12 O12 -","2","1","","Yadav, Jitendra Kumar; Singh, Baghendra; Mishra, Anjali; Pal, Sarvesh Kumar; Singh, Nanhai; Lama, Prem; Indra, Arindam; Kumar, Kamlesh","Axial ligand-induced high electrocatalytic hydrogen evolution activity of molecular cobaloximes in homo- and heterogeneous medium.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16747","16758","10.1039/d4dt00650j","","","0.71073","MoKα","","0.0705","0.0511","","","0.1056","0.114","","","","","","1.107","","","","has coordinates,has disorder","296580","2024-12-06","18:59:55",""
"7717033","13.0461","0.0005","13.7395","0.0006","14.2433","0.0006","71.855","0.001","83.258","0.001","65.943","0.001","2215.24","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H34 Cl Co N6 O6 -","- C46 H34 Cl Co N6 O6 -","- C92 H68 Cl2 Co2 N12 O12 -","2","1","","Yadav, Jitendra Kumar; Singh, Baghendra; Mishra, Anjali; Pal, Sarvesh Kumar; Singh, Nanhai; Lama, Prem; Indra, Arindam; Kumar, Kamlesh","Axial ligand-induced high electrocatalytic hydrogen evolution activity of molecular cobaloximes in homo- and heterogeneous medium.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16747","16758","10.1039/d4dt00650j","","","0.71073","MoKα","","0.0578","0.0424","","","0.1103","0.1247","","","","","","1.067","","","","has coordinates","296580","2024-12-06","18:59:56",""
"7717034","18.6907","0.0008","19.1638","0.001","20.6132","0.0009","70.333","0.002","65.655","0.001","64.159","0.001","5942.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H132 Cl2 Co2 N20 O20 -","- C120 H132 Cl2 Co2 N20 O20 -","- C240 H264 Cl4 Co4 N40 O40 -","2","1","","Yadav, Jitendra Kumar; Singh, Baghendra; Mishra, Anjali; Pal, Sarvesh Kumar; Singh, Nanhai; Lama, Prem; Indra, Arindam; Kumar, Kamlesh","Axial ligand-induced high electrocatalytic hydrogen evolution activity of molecular cobaloximes in homo- and heterogeneous medium.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16747","16758","10.1039/d4dt00650j","","","0.71073","MoKα","","0.077","0.0564","","","0.1534","0.1701","","","","","","1.038","","","","has coordinates,has disorder","296580","2024-12-06","18:59:56",""
"7717035","8.054","0.0019","10.596","0.002","10.613","0.003","104.764","0.006","109.118","0.006","106.152","0.006","759.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Br N3 O2 S -","- C14 H14 Br N3 O2 S -","- C28 H28 Br2 N6 O4 S2 -","2","1","","Ranjani, M.; Thiruppathi, G. A.; Keerthana, V.; Ramya, M.; Kalaivani, P.; Selvakumar, S.; Shankar, R.; Srinivasan, K.; Sundararaj, P.; Prabhakaran, R.","Fluorophore-quencher complexes (Cu<sup>2+</sup>/Al<sup>3+</sup>) of coumarin Schiff bases as chemosensors for the detection of L-glutamic acid and L-arginine: <i>in vitro</i> and <i>in vivo</i> studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","41","16941","16955","10.1039/d4dt01977f","","","0.71073","MoKα","","0.0688","0.0551","","","0.1371","0.1509","","","","","","1.041","","","","has coordinates","296512","2024-12-06","18:22:04",""
"7717036","6.886","0.003","12.995","0.005","19.157","0.007","90","","93.108","0.011","90","","1711.7","1.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Br N3 O2 S -","- C18 H14 Br N3 O2 S -","- C72 H56 Br4 N12 O8 S4 -","4","1","","Ranjani, M.; Thiruppathi, G. A.; Keerthana, V.; Ramya, M.; Kalaivani, P.; Selvakumar, S.; Shankar, R.; Srinivasan, K.; Sundararaj, P.; Prabhakaran, R.","Fluorophore-quencher complexes (Cu<sup>2+</sup>/Al<sup>3+</sup>) of coumarin Schiff bases as chemosensors for the detection of L-glutamic acid and L-arginine: <i>in vitro</i> and <i>in vivo</i> studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","41","16941","16955","10.1039/d4dt01977f","","","0.71073","MoKα","","0.0494","0.0329","","","0.0766","0.0838","","","","","","1.019","","","","has coordinates","296512","2024-12-06","18:22:04",""
"7717037","26.15","0.006","8.8407","0.0019","12.134","0.003","90","","97.616","0.006","90","","2780.4","1.1","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ag0.4 Cs0.4 S2.8 Sb1.6 -","- Ag0.4 Cs0.4 S2.8 Sb1.6 -","- Ag8 Cs8 S56 Sb32 -","20","2.5","","Liu, Yan; Yu, Changyan; Xie, Zhihe; Cao, Ming; Miao, Dongyuan; Xue, Zhiwei; Li, Yanhua","Syntheses, crystal structures and photocurrent responses of Cs<sub>2</sub>Ag<sub>2</sub>Sb<sub>2</sub>S<sub>5</sub> and CsAgSb<sub>4</sub>S<sub>7</sub> with thiourea as a mineralizer.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16149","16153","10.1039/d4dt02226b","","","0.71073","MoKα","","0.0489","0.0469","","","0.126","0.1281","","","","","","1.081","","","","has coordinates","296548","2024-12-06","18:37:27",""
"7717038","10.7773","0.0015","6.925","0.001","34.247","0.005","90","","90","","90","","2555.9","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Ag2 Cs2 S5 Sb2 -","- Ag2 Cs2 S5 Sb2 -","- Ag16 Cs16 S40 Sb16 -","8","1","","Liu, Yan; Yu, Changyan; Xie, Zhihe; Cao, Ming; Miao, Dongyuan; Xue, Zhiwei; Li, Yanhua","Syntheses, crystal structures and photocurrent responses of Cs<sub>2</sub>Ag<sub>2</sub>Sb<sub>2</sub>S<sub>5</sub> and CsAgSb<sub>4</sub>S<sub>7</sub> with thiourea as a mineralizer.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16149","16153","10.1039/d4dt02226b","","","0.71073","MoKα","","0.0559","0.0505","","","0.2245","0.2318","","","","","","1.072","","","","has coordinates","296548","2024-12-06","18:37:27",""
"7717039","9.9165","0.0004","10.307","0.0004","11.5166","0.0005","115.644","0.001","92.465","0.002","97.618","0.002","1045.14","0.08","123","","123","","","","","","","","","7","P -1","-P 1","2","","TT-274","","- C30 H56 B2 Cl6 N6 O2 P2 -","- C30 H56 B2 Cl6 N6 O2 P2 -","- C30 H56 B2 Cl6 N6 O2 P2 -","1","0.5","","Terschüren, Tatjana; Schnakenburg, Gregor; Streubel, Rainer","Synthesis of P-bridged, planar bis(NHC) BCl<sub>3</sub> adducts.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16377","16383","10.1039/d4dt02235a","","x-ray","1.54178","CuKα","","0.0681","0.0598","","","0.15","0.1584","","","","","","1.071","","","","has coordinates,has disorder","296547","2024-12-06","18:37:15",""
"7717040","17.885","0.0001","17.3948","0.0001","20.9436","0.0002","90","","90","","90","","6515.68","0.08","150.01","0.1","150.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H50 Cl Cu N2 O -","- C29 H42 Cl Cu N2 -","- C232 H336 Cl8 Cu8 N16 -","8","1","","Bru, Francis; Charman, Rex S. C.; Bourda, Laurens; Van Hecke, Kristof; Grimaud, Laurence; Liptrot, David J.; Cazin, Catherine S. J.","A simply accessible organometallic system to gauge electronic properties of N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2024","53","38","16030","16037","10.1039/d4dt02584a","","x-ray","1.54184","CuKα","","0.0339","0.0297","","","0.0848","0.0874","","","","","","1.033","","","","has coordinates,has disorder","295284","2024-10-06","08:14:49",""
"7717041","10.3682","0.0001","23.6204","0.0001","14.9363","0.0001","90","","105.298","0.001","90","","3528.3","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H49 Cl2 N2 O3 Rh -","- C35 H49 Cl2 N2 O3 Rh -","- C140 H196 Cl8 N8 O12 Rh4 -","4","1","","Bru, Francis; Charman, Rex S. C.; Bourda, Laurens; Van Hecke, Kristof; Grimaud, Laurence; Liptrot, David J.; Cazin, Catherine S. J.","A simply accessible organometallic system to gauge electronic properties of N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2024","53","38","16030","16037","10.1039/d4dt02584a","","x-ray","1.54184","CuKα","","0.0377","0.029","","","0.0689","0.0731","","","","","","1.024","","","","has coordinates","295284","2024-10-06","08:14:49",""
"7717042","21.6648","0.0004","21.6648","0.0004","14.6787","0.0003","90","","90","","120","","5966.6","0.2","104","2","104","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C36 H102 Cl6 Fe Mo6 N18 O48 Ti -","- C36 H102 Cl6 Fe Mo6 N18 O48 Ti -","- C108 H306 Cl18 Fe3 Mo18 N54 O144 Ti3 -","3","0.333333","","Mitsuhashi, Ryoji; Imai, Yuya; Sugiarto, ?; Sakiyama, Hiroshi; Kikukawa, Yuji; Hayashi, Yoshihito","Controlling the symmetry of hexamonodentate 3d-transition metal complexes through symmetry propagation from high-symmetry Ti-Mo and Zr-Mo clusters <i>via</i> hydrogen-bonding interactions.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16186","16194","10.1039/d4dt02120g","","","0.71073","MoKα","","0.0325","0.0317","","","0.0868","0.0877","","","","","","0.822","","","","has coordinates,has disorder","296544","2024-12-06","18:36:06",""
"7717043","21.5929","0.0007","21.5929","0.0007","14.6575","0.0005","90","","90","","120","","5918.5","0.3","104","2","104","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C36 H102 Cl6 Co Mo6 N18 O48 Ti -","- C36 H102 Cl6 Co Mo6 N18 O48 Ti -","- C108 H306 Cl18 Co3 Mo18 N54 O144 Ti3 -","3","0.333333","","Mitsuhashi, Ryoji; Imai, Yuya; Sugiarto, ?; Sakiyama, Hiroshi; Kikukawa, Yuji; Hayashi, Yoshihito","Controlling the symmetry of hexamonodentate 3d-transition metal complexes through symmetry propagation from high-symmetry Ti-Mo and Zr-Mo clusters <i>via</i> hydrogen-bonding interactions.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16186","16194","10.1039/d4dt02120g","","","0.71073","MoKα","","0.0467","0.041","","","0.1056","0.1091","","","","","","1.04","","","","has coordinates,has disorder","296544","2024-12-06","18:36:07",""
"7717044","21.651","0.0008","21.651","0.0008","14.6425","0.0004","90","","90","","120","","5944.3","0.4","100","2","100","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C36 H102 Cl6 Mo6 N18 Ni O48 Ti -","- C36 H102 Cl6 Mo6 N18 Ni O48 Ti -","- C108 H306 Cl18 Mo18 N54 Ni3 O144 Ti3 -","3","0.333333","","Mitsuhashi, Ryoji; Imai, Yuya; Sugiarto, ?; Sakiyama, Hiroshi; Kikukawa, Yuji; Hayashi, Yoshihito","Controlling the symmetry of hexamonodentate 3d-transition metal complexes through symmetry propagation from high-symmetry Ti-Mo and Zr-Mo clusters <i>via</i> hydrogen-bonding interactions.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16186","16194","10.1039/d4dt02120g","","","0.71073","MoKα","","0.0459","0.0428","","","0.1153","0.1174","","","","","","0.984","","","","has coordinates,has disorder","296544","2024-12-06","18:36:07",""
"7717045","21.8319","0.0004","21.8319","0.0004","14.7616","0.0003","90","","90","","120","","6093.2","0.2","102","2","102","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C36 H102 Cl6 Fe Mo6 N18 O48 Zr -","- C36 H102 Cl6 Fe Mo6 N18 O48 Zr -","- C108 H306 Cl18 Fe3 Mo18 N54 O144 Zr3 -","3","0.333333","","Mitsuhashi, Ryoji; Imai, Yuya; Sugiarto, ?; Sakiyama, Hiroshi; Kikukawa, Yuji; Hayashi, Yoshihito","Controlling the symmetry of hexamonodentate 3d-transition metal complexes through symmetry propagation from high-symmetry Ti-Mo and Zr-Mo clusters <i>via</i> hydrogen-bonding interactions.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16186","16194","10.1039/d4dt02120g","","","0.71073","MoKα","","0.0318","0.0308","","","0.0785","0.079","","","","","","1.075","","","","has coordinates,has disorder","296544","2024-12-06","18:36:07",""
"7717046","21.7869","0.0004","21.7869","0.0004","14.6803","0.0003","90","","90","","120","","6034.7","0.2","102","2","102","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C36 H102 Cl6 Mo6 N18 Ni O48 Zr -","- C36 H102 Cl6 Mo6 N18 Ni O48 Zr -","- C108 H306 Cl18 Mo18 N54 Ni3 O144 Zr3 -","3","0.333333","","Mitsuhashi, Ryoji; Imai, Yuya; Sugiarto, ?; Sakiyama, Hiroshi; Kikukawa, Yuji; Hayashi, Yoshihito","Controlling the symmetry of hexamonodentate 3d-transition metal complexes through symmetry propagation from high-symmetry Ti-Mo and Zr-Mo clusters <i>via</i> hydrogen-bonding interactions.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16186","16194","10.1039/d4dt02120g","","","0.71073","MoKα","","0.0344","0.0337","","","0.0897","0.0902","","","","","","1.074","","","","has coordinates,has disorder","296544","2024-12-06","18:36:07",""
"7717047","21.778","0.0003","21.778","0.0003","14.7532","0.0002","90","","90","","120","","6059.72","0.14","102","2","102","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C36 H102 Cl6 Mo6 N18 O48 Zn Zr -","- C36 H102 Cl6 Mo6 N18 O48 Zn Zr -","- C108 H306 Cl18 Mo18 N54 O144 Zn3 Zr3 -","3","0.333333","","Mitsuhashi, Ryoji; Imai, Yuya; Sugiarto, ?; Sakiyama, Hiroshi; Kikukawa, Yuji; Hayashi, Yoshihito","Controlling the symmetry of hexamonodentate 3d-transition metal complexes through symmetry propagation from high-symmetry Ti-Mo and Zr-Mo clusters <i>via</i> hydrogen-bonding interactions.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16186","16194","10.1039/d4dt02120g","","","0.71073","MoKα","","0.0242","0.0238","","","0.0637","0.064","","","","","","1.083","","","","has coordinates,has disorder","296544","2024-12-06","18:36:07",""
"7717048","21.7971","0.0004","21.7971","0.0004","14.7552","0.0003","90","","90","","120","","6071.2","0.2","102","2","102","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C36 H102 Cl6 Co Mo6 N18 O48 Zr -","- C36 H102 Cl6 Co Mo6 N18 O48 Zr -","- C108 H306 Cl18 Co3 Mo18 N54 O144 Zr3 -","3","0.333333","","Mitsuhashi, Ryoji; Imai, Yuya; Sugiarto, ?; Sakiyama, Hiroshi; Kikukawa, Yuji; Hayashi, Yoshihito","Controlling the symmetry of hexamonodentate 3d-transition metal complexes through symmetry propagation from high-symmetry Ti-Mo and Zr-Mo clusters <i>via</i> hydrogen-bonding interactions.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16186","16194","10.1039/d4dt02120g","","","0.71073","MoKα","","0.0384","0.0354","","","0.0886","0.0902","","","","","","1.074","","","","has coordinates,has disorder","296544","2024-12-06","18:36:07",""
"7717049","21.6448","0.0003","21.6448","0.0003","14.6822","0.0003","90","","90","","120","","5957.02","0.17","104","2","104","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C36 H102 Cl6 Mo6 N18 O48 Ti Zn -","- C36 H102 Cl6 Mo6 N18 O48 Ti Zn -","- C108 H306 Cl18 Mo18 N54 O144 Ti3 Zn3 -","3","0.333333","","Mitsuhashi, Ryoji; Imai, Yuya; Sugiarto, ?; Sakiyama, Hiroshi; Kikukawa, Yuji; Hayashi, Yoshihito","Controlling the symmetry of hexamonodentate 3d-transition metal complexes through symmetry propagation from high-symmetry Ti-Mo and Zr-Mo clusters <i>via</i> hydrogen-bonding interactions.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16186","16194","10.1039/d4dt02120g","","","0.71073","MoKα","","0.0295","0.0292","","","0.0823","0.0826","","","","","","1.087","","","","has coordinates,has disorder","296544","2024-12-06","18:36:07",""
"7717050","13.848","0.004","6.7421","0.0019","9.389","0.003","90","","121.275","0.002","90","","749.2","0.4","296","2","296.15","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C4 Br2 Cu N -","- C4 Br2 Cu N -","- C16 Br8 Cu4 N4 -","4","0.5","","Lin, Na; Li, Yun-Xia; Liu, Yu; Sun, Kai-Qi; Zhang, Hong-Yan; Lei, Xiao-Wu; Chen, Zhi-Wei","Broadband blue light emissions of one-dimensional hybrid Cu(I) halides with ultrahigh anti -water stability.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16577","16584","10.1039/d4dt02072c","","","0.71073","MoKα","","0.0424","0.0383","","","0.1019","0.1042","","","","","","1.123","","","","has coordinates","296585","2024-12-06","19:02:04",""
"7717051","7.814","0.0007","14.6335","0.0013","12.9812","0.0011","90","","93.824","0.003","90","","1481","0.2","273.15","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 Br4 Cu2 N2 -","- C6 H18 Br4 Cu2 N2 -","- C24 H72 Br16 Cu8 N8 -","4","1","","Lin, Na; Li, Yun-Xia; Liu, Yu; Sun, Kai-Qi; Zhang, Hong-Yan; Lei, Xiao-Wu; Chen, Zhi-Wei","Broadband blue light emissions of one-dimensional hybrid Cu(I) halides with ultrahigh anti -water stability.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16577","16584","10.1039/d4dt02072c","","","0.71073","MoKα","","0.0682","0.0345","","","0.0656","0.0762","","","","","","1.028","","","","has coordinates","296585","2024-12-06","19:02:04",""
"7717052","6.0905","0.0003","8.8163","0.0005","11.5467","0.0006","90","","97.583","0.002","90","","614.59","0.06","273.15","","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H7 Br2 Cu N -","- C2 H7 Br2 Cu N -","- C8 H28 Br8 Cu4 N4 -","4","1","","Lin, Na; Li, Yun-Xia; Liu, Yu; Sun, Kai-Qi; Zhang, Hong-Yan; Lei, Xiao-Wu; Chen, Zhi-Wei","Broadband blue light emissions of one-dimensional hybrid Cu(I) halides with ultrahigh anti -water stability.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16577","16584","10.1039/d4dt02072c","","","0.71073","MoKα","","0.033","0.0236","","","0.0488","0.0518","","","","","","1.044","","","","has coordinates","296585","2024-12-06","19:02:04",""
"7717053","10.4148","0.0002","13.581","0.0003","25.1875","0.0005","90","","99.613","0.001","90","","3512.58","0.12","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C33 H27 B Br2.54 Cl3.46 Cu N4 O2 -","- C33 H27 B Br2.541 Cl3.459 Cu N4 O2 -","- C132 H108 B4 Br10.164 Cl13.836 Cu4 N16 O8 -","4","1","","Salomón-Flores, María K; Viviano-Posadas, Alejandro O; Valdes-García, Josue; López-Guerrero, Víctor; Martínez-Otero, Diego; Barroso-Flores, Joaquín; German-Acacio, Juan M; Bazany-Rodríguez, Iván J; Dorazco-González, Alejandro","Optical sensing of L-dihydroxy-phenylalanine in water by a high-affinity molecular receptor involving cooperative binding of a metal coordination bond and boronate-diol.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16541","16556","10.1039/d4dt02108h","","","1.54178","CuKα","","0.0541","0.0489","","","0.1393","0.1456","","","","","","1.033","","","","has coordinates,has disorder","296593","2024-12-06","19:04:58",""
"7717054","17.1481","0.0008","14.9862","0.0007","12.3646","0.0006","90","","107.147","0.0009","90","","3036.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 Br3 Cu N4 O3 -","- C31 H29 Br3 Cu N4 O3 -","- C124 H116 Br12 Cu4 N16 O12 -","4","1","","Salomón-Flores, María K; Viviano-Posadas, Alejandro O; Valdes-García, Josue; López-Guerrero, Víctor; Martínez-Otero, Diego; Barroso-Flores, Joaquín; German-Acacio, Juan M; Bazany-Rodríguez, Iván J; Dorazco-González, Alejandro","Optical sensing of L-dihydroxy-phenylalanine in water by a high-affinity molecular receptor involving cooperative binding of a metal coordination bond and boronate-diol.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16541","16556","10.1039/d4dt02108h","","","0.71073","MoKα","","0.0346","0.0294","","","0.0759","0.0789","","","","","","1.04","","","","has coordinates,has disorder","296593","2024-12-06","19:05:00",""
"7717055","17.7047","0.0001","17.7047","0.0001","16.4257","0.0002","90","","90","","90","","5148.74","0.07","180","","180","","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C74 H89 Cu6 Gd4 N19 O44 -","- C74 H89 Cu6 Gd4 N19 O44 -","- C148 H178 Cu12 Gd8 N38 O88 -","2","0.25","","Anastassiades, Antonis; Alexandropoulos, Dimitris I.; Buch, Christian D.; Piligkos, Stergios; Tasiopoulos, Anastasios J.","A new family of heterometallic [Cu<sub>6</sub>M<sub>4</sub>] (M = Gd, Tb, Dy and Y) clusters derived from the combined use of selected pyridyl poly-alcohol ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16202","16211","10.1039/d4dt02054e","","x-ray","1.54184","CuKα","","0.0456","0.0439","","","0.1126","0.1142","","","","","","1.041","","","","has coordinates","296552","2024-12-06","18:43:57",""
"7717056","17.7509","0.0001","17.7509","0.0001","16.2759","0.0002","90","","90","","90","","5128.45","0.08","150.1","0.2","150.1","0.2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C76 H92 Cu6 N20 O44 Y4 -","- C76 H92 Cu6 N20 O44 Y4 -","- C152 H184 Cu12 N40 O88 Y8 -","2","0.25","","Anastassiades, Antonis; Alexandropoulos, Dimitris I.; Buch, Christian D.; Piligkos, Stergios; Tasiopoulos, Anastasios J.","A new family of heterometallic [Cu<sub>6</sub>M<sub>4</sub>] (M = Gd, Tb, Dy and Y) clusters derived from the combined use of selected pyridyl poly-alcohol ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16202","16211","10.1039/d4dt02054e","","x-ray","1.54184","CuKα","","0.0217","0.0215","","","0.0594","0.0595","","","","","","1.067","","","","has coordinates","296552","2024-12-06","18:43:57",""
"7717057","17.453","0.0001","17.453","0.0001","16.6568","0.0001","90","","90","","90","","5073.78","0.05","149.94","0.1","149.94","0.1","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C76 H92 Cu6 Dy4 N20 O44 -","- C76 H92 Cu6 Dy4 N20 O44 -","- C152 H184 Cu12 Dy8 N40 O88 -","2","0.25","","Anastassiades, Antonis; Alexandropoulos, Dimitris I.; Buch, Christian D.; Piligkos, Stergios; Tasiopoulos, Anastasios J.","A new family of heterometallic [Cu<sub>6</sub>M<sub>4</sub>] (M = Gd, Tb, Dy and Y) clusters derived from the combined use of selected pyridyl poly-alcohol ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16202","16211","10.1039/d4dt02054e","","x-ray","1.54184","CuKα","","0.0243","0.0239","","","0.0656","0.0658","","","","","","1.07","","","","has coordinates,has disorder","296552","2024-12-06","18:43:57",""
"7717058","17.5805","0.0001","17.5805","0.0001","16.5113","0.0001","90","","90","","90","","5103.21","0.05","149.99","0.1","149.99","0.1","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C74 H89 Cu6 N19 O44 Tb4 -","- C74 H89 Cu6 N19 O44 Tb4 -","- C148 H178 Cu12 N38 O88 Tb8 -","2","0.25","","Anastassiades, Antonis; Alexandropoulos, Dimitris I.; Buch, Christian D.; Piligkos, Stergios; Tasiopoulos, Anastasios J.","A new family of heterometallic [Cu<sub>6</sub>M<sub>4</sub>] (M = Gd, Tb, Dy and Y) clusters derived from the combined use of selected pyridyl poly-alcohol ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16202","16211","10.1039/d4dt02054e","","x-ray","1.54184","CuKα","","0.0322","0.032","","","0.0829","0.083","","","","","","1.039","","","","has coordinates","296552","2024-12-06","18:43:57",""
"7717059","14.5715","0.0009","10.8846","0.0007","29.96","0.0018","90","","96.82","0.001","90","","4718.2","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H46 Cl2 N4 Pt -","- C55 H46 Cl2 N4 Pt -","- C220 H184 Cl8 N16 Pt4 -","4","1","","Wong, Wai-Yeung; Xie, Zheng; Wang, Qiwei; Jiang, Lu; Li, Junlong; Zhang, Baohua; Yi, Xiuyu; Xie, Zhiyuan; Zhao, Jianzhang","Platinum(II) bis(arylacetylide) complexes bearing diarylamino-substituted bipyridine ligands for solution-processable phosphorescent OLED applications.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16322","16334","10.1039/d4dt01799d","","","0.71073","MoKα","","0.0598","0.0424","","","0.0993","0.108","","","","","","1.103","","","","has coordinates,has disorder","296549","2024-12-06","18:37:54",""
"7717060","15.435","0.0012","9.4089","0.0007","25.814","0.002","90","","102.008","0.001","90","","3666.8","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H36 Cl4 N4 Pt -","- C39 H36 Cl4 N4 Pt -","- C156 H144 Cl16 N16 Pt4 -","4","1","","Wong, Wai-Yeung; Xie, Zheng; Wang, Qiwei; Jiang, Lu; Li, Junlong; Zhang, Baohua; Yi, Xiuyu; Xie, Zhiyuan; Zhao, Jianzhang","Platinum(II) bis(arylacetylide) complexes bearing diarylamino-substituted bipyridine ligands for solution-processable phosphorescent OLED applications.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16322","16334","10.1039/d4dt01799d","","","0.71073","MoKα","","0.0466","0.0352","","","0.0864","0.0925","","","","","","1.038","","","","has coordinates","296549","2024-12-06","18:37:57",""
"7717061","11.27","0.003","13.603","0.003","18.951","0.005","101.546","0.004","105.572","0.005","104.303","0.004","2599.1","1.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H42 F6 N4 O4 Pt -","- C56 H42 F6 N4 O4 Pt -","- C112 H84 F12 N8 O8 Pt2 -","2","1","","Wong, Wai-Yeung; Xie, Zheng; Wang, Qiwei; Jiang, Lu; Li, Junlong; Zhang, Baohua; Yi, Xiuyu; Xie, Zhiyuan; Zhao, Jianzhang","Platinum(II) bis(arylacetylide) complexes bearing diarylamino-substituted bipyridine ligands for solution-processable phosphorescent OLED applications.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16322","16334","10.1039/d4dt01799d","","","0.71073","MoKα","","0.0901","0.0656","","","0.1512","0.1675","","","","","","0.98","","","","has coordinates,has disorder","296549","2024-12-06","18:37:57",""
"7717062","13.5491","0.0016","9.8772","0.0012","33.703","0.004","90","","99.076","0.002","90","","4453.9","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 N4 O4 Pt -","- C54 H43.9992 N4 O4 Pt -","- C216 H175.997 N16 O16 Pt4 -","4","1","","Wong, Wai-Yeung; Xie, Zheng; Wang, Qiwei; Jiang, Lu; Li, Junlong; Zhang, Baohua; Yi, Xiuyu; Xie, Zhiyuan; Zhao, Jianzhang","Platinum(II) bis(arylacetylide) complexes bearing diarylamino-substituted bipyridine ligands for solution-processable phosphorescent OLED applications.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16322","16334","10.1039/d4dt01799d","","","0.71073","MoKα","","0.0968","0.0605","","","0.1168","0.1279","","","","","","1.143","","","","has coordinates,has disorder","296549","2024-12-06","18:37:57",""
"7717063","27.0282","0.0013","9.9741","0.0005","34.5053","0.0017","90","","97.533","0.002","90","","9221.7","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H48 N4 O4 Pt -","- C56 H48 N4 O4 Pt -","- C448 H384 N32 O32 Pt8 -","8","2","","Wong, Wai-Yeung; Xie, Zheng; Wang, Qiwei; Jiang, Lu; Li, Junlong; Zhang, Baohua; Yi, Xiuyu; Xie, Zhiyuan; Zhao, Jianzhang","Platinum(II) bis(arylacetylide) complexes bearing diarylamino-substituted bipyridine ligands for solution-processable phosphorescent OLED applications.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16322","16334","10.1039/d4dt01799d","","","1.54178","CuKα","","0.0625","0.0588","","","0.1613","0.1695","","","","","","1.007","","","","has coordinates","296549","2024-12-06","18:37:57",""
"7717064","11.6217","0.0002","11.7346","0.0002","11.9051","0.0002","112.753","0.002","104.637","0.002","107.424","0.002","1297.2","0.06","296.68","0.1","296.68","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H44 Cu Mo8 N6 O32 -","- C18 H44 Cu Mo8 N6 O32 -","- C18 H44 Cu Mo8 N6 O32 -","1","0.5","","Pardiwala, Ankita; Desai, Meghal A.; Jangir, Ritambhara","Polyoxometalate-supported transition metal complexes for the oxidative cross-coupling of amines and alcohols.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17207","17220","10.1039/d4dt02289k","","x-ray","0.71073","MoKα","","0.0461","0.0439","","","0.1312","0.133","","","","","","1.062","","","","has coordinates","296535","2024-12-06","18:31:11",""
"7717065","8.6329","0.0009","9.2575","0.0009","12.2531","0.0013","94.763","0.004","93.152","0.004","91.312","0.004","974.03","0.17","296","2","296","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H36 Co Mo6 O25 S6 -","- C12 H36 Co Mo6 O25 S6 -","- C12 H36 Co Mo6 O25 S6 -","1","0.5","","Pardiwala, Ankita; Desai, Meghal A.; Jangir, Ritambhara","Polyoxometalate-supported transition metal complexes for the oxidative cross-coupling of amines and alcohols.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17207","17220","10.1039/d4dt02289k","","","0.71073","MoKα","","0.0578","0.0558","","","0.138","0.1404","","","","","","1.236","","","","has coordinates","296535","2024-12-06","18:31:13",""
"7717066","8.6498","0.0001","9.2159","0.0003","12.214","0.0004","94.803","0.002","93.302","0.002","91.519","0.002","968.14","0.05","299.1","","299.1","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H36 Mo6 Ni O25 S6 -","- C12 H36 Mo6 Ni O25 S6 -","- C12 H36 Mo6 Ni O25 S6 -","1","0.5","","Pardiwala, Ankita; Desai, Meghal A.; Jangir, Ritambhara","Polyoxometalate-supported transition metal complexes for the oxidative cross-coupling of amines and alcohols.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17207","17220","10.1039/d4dt02289k","","x-ray","0.71073","MoKα","","0.0349","0.0309","","","0.0685","0.0708","","","","","","1.072","","","","has coordinates","296535","2024-12-06","18:31:13",""
"7717067","12.588","0.004","12.588","0.004","9.604","0.003","90","","90","","90","","1521.8","0.8","100","2","100","2","","","","","","","","6","P 4/m m m","-P 4 2","123","","","","- C30 H38 N4 O12 S4 Zn2 -","- C22 H16 N2 O8 S4 Zn2 -","- C22 H16 N2 O8 S4 Zn2 -","1","0.0625","","Dubskikh, Vadim A.; Lysova, Anna A.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Dybtsev, Danil N.; Fedin, Vladimir P.","Metal-organic frameworks with a sulfur-rich heterocycle: synthesis, gas adsorption properties, and metal exchange.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16654","16660","10.1039/d4dt02209b","","","0.745","synchrotron","","0.0513","0.0489","","","0.136","0.1373","","","","","","1.14","","","","has coordinates,has disorder","296581","2024-12-06","19:00:08",""
"7717068","12.5936","0.0007","12.5936","0.0007","9.6955","0.0014","90","","90","","90","","1537.7","0.3","290","2","290","2","","","","","","","","7","P 4/m m m","-P 4 2","123","","","","- C34 H49 Cu N5 O14 S4 Zn -","- C22 H16 Cu N2 O8 S4 Zn -","- C22 H16 Cu N2 O8 S4 Zn -","1","0.0625","","Dubskikh, Vadim A.; Lysova, Anna A.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Dybtsev, Danil N.; Fedin, Vladimir P.","Metal-organic frameworks with a sulfur-rich heterocycle: synthesis, gas adsorption properties, and metal exchange.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16654","16660","10.1039/d4dt02209b","","x-ray","0.71073","MoKα","","0.0579","0.0462","","","0.1133","0.1172","","","","","","0.974","","","","has coordinates,has disorder","296581","2024-12-06","19:00:09",""
"7717069","5.7456","0.0008","9.3568","0.0012","16.623","0.002","88.264","0.004","85.531","0.004","79.245","0.004","875.2","0.2","297","","297","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H40 Mg2 N2 O22 S6 -","- C18 H40 Mg2 N2 O22 S6 -","- C18 H40 Mg2 N2 O22 S6 -","1","0.5","","Chauhan, Aishwarya; Chauhan, Priyanka; Shankar, Ravi","Synthesis of anionic alkaline earth metal methanesulfonates bearing photo-responsive methylviologen.","Dalton transactions (Cambridge, England : 2003)","2024","53","41","17014","17020","10.1039/d4dt02229g","","x-ray","0.71073","MoKα","","0.0452","0.0334","","","0.0778","0.0848","","","","","","1.05","","","","has coordinates","296511","2024-12-06","18:21:43",""
"7717070","5.7797","0.0004","9.7473","0.0007","17.7172","0.0012","96.331","0.002","93.814","0.002","100.767","0.002","970.69","0.12","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H24 Mg N O13 S3 -","- C9 H24 Mg N O13 S3 -","- C18 H48 Mg2 N2 O26 S6 -","2","1","","Chauhan, Aishwarya; Chauhan, Priyanka; Shankar, Ravi","Synthesis of anionic alkaline earth metal methanesulfonates bearing photo-responsive methylviologen.","Dalton transactions (Cambridge, England : 2003)","2024","53","41","17014","17020","10.1039/d4dt02229g","","","0.71073","MoKα","","0.0579","0.0563","","","0.1423","0.1439","","","","","","1.568","","","","has coordinates","296511","2024-12-06","18:21:44",""
"7717071","5.805","0.002","31.377","0.006","9.185","0.002","90","0.03","93.49","0.03","90","0.03","1669.9","0.8","296","2","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H84 Ca4 N4 O40 S12 -","- C28 H84 Ca4 N4 O40 S12 -","- C28 H84 Ca4 N4 O40 S12 -","1","0.25","","Chauhan, Aishwarya; Chauhan, Priyanka; Shankar, Ravi","Synthesis of anionic alkaline earth metal methanesulfonates bearing photo-responsive methylviologen.","Dalton transactions (Cambridge, England : 2003)","2024","53","41","17014","17020","10.1039/d4dt02229g","","","0.71073","MoKα","","0.0442","0.0417","","","0.1185","0.1209","","","","","","0.9853","","","","has coordinates","296511","2024-12-06","18:21:44",""
"7717072","5.8064","0.0006","9.598","0.0011","16.929","0.002","88.105","0.004","84.771","0.004","79.178","0.004","922.69","0.18","298","2","298","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H40 Ca2 N2 O22 S6 -","- C18 H40 Ca2 N2 O22 S6 -","- C18 H40 Ca2 N2 O22 S6 -","1","0.5","","Chauhan, Aishwarya; Chauhan, Priyanka; Shankar, Ravi","Synthesis of anionic alkaline earth metal methanesulfonates bearing photo-responsive methylviologen.","Dalton transactions (Cambridge, England : 2003)","2024","53","41","17014","17020","10.1039/d4dt02229g","","x-ray","0.71073","MoKα","","0.0364","0.0336","","","0.0929","0.0949","","","","","","1.0291","","","","has coordinates","296511","2024-12-06","18:21:44",""
"7717073","6.9279","0.0006","12.589","0.0011","20.273","0.0018","90","","90","","90","","1768.1","0.3","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 Cl Cu N4 O6 -","- C15 H17 Cl Cu N4 O6 -","- C60 H68 Cl4 Cu4 N16 O24 -","4","1","","Kuilya, Hemrupa; Das, Pranjal; Basak, Swati; Sarma, Debajit; Mazumdar, Pradyumna; Choudhury, Diganta; Kalita, Apurba","Effect of ligand substituents on the reactivity pathways of copper(II) complexes towards electrocatalytic water oxidation.","Dalton transactions (Cambridge, England : 2003)","2024","53","43","17547","17553","10.1039/d4dt01852d","","","0.71073","MoKα","","0.0806","0.0725","","","0.1835","0.1951","","","","","","1.081","","","","has coordinates","296520","2024-12-06","18:26:00",""
"7717074","8.5947","0.0007","8.5947","0.0007","17.7141","0.0014","90","","90","","120","","1133.21","0.16","273","2","273","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C12 H10 Cl Cu N4 O6 -","- C12 H10 Cl Cu N4 O6 -","- C36 H30 Cl3 Cu3 N12 O18 -","3","0.5","","Kuilya, Hemrupa; Das, Pranjal; Basak, Swati; Sarma, Debajit; Mazumdar, Pradyumna; Choudhury, Diganta; Kalita, Apurba","Effect of ligand substituents on the reactivity pathways of copper(II) complexes towards electrocatalytic water oxidation.","Dalton transactions (Cambridge, England : 2003)","2024","53","43","17547","17553","10.1039/d4dt01852d","","","0.71073","MoKα","","0.0224","0.0203","","","0.0456","0.0464","","","","","","1.044","","","","has coordinates","296520","2024-12-06","18:26:01",""
"7717075","8.8925","0.0007","18.1625","0.0016","18.746","0.0017","90","","90","","90","","3027.7","0.5","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H42 Cl2 Dy N3 O -","- C28 H42 Cl2 Dy N3 O -","- C112 H168 Cl8 Dy4 N12 O4 -","4","1","","Peng, Xiao-Han; Shang, Tao; Zheng, Jieyu; Liu, Ming; Zheng, Qi; Guo, Fu-Sheng","Enhancing the magnetic properties of Dy(III) single-molecule magnets in octahedral coordination symmetry by tuning the equatorial ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16709","16715","10.1039/d4dt02482f","","","0.71073","MoKα","","0.0415","0.0309","","","0.0637","0.0673","","","","","","1.019","","","","has coordinates,has disorder","296587","2024-12-06","19:02:45",""
"7717076","9.1597","0.0006","18.4547","0.0012","19.0883","0.001","90","","90","","90","","3226.7","0.3","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H42 Dy I2 N3 O -","- C28 H42 Dy I2 N3 O -","- C112 H168 Dy4 I8 N12 O4 -","4","1","","Peng, Xiao-Han; Shang, Tao; Zheng, Jieyu; Liu, Ming; Zheng, Qi; Guo, Fu-Sheng","Enhancing the magnetic properties of Dy(III) single-molecule magnets in octahedral coordination symmetry by tuning the equatorial ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16709","16715","10.1039/d4dt02482f","","","0.71073","MoKα","","0.0581","0.0368","","","0.0651","0.0745","","","","","","1.017","","","","has coordinates,has disorder","296587","2024-12-06","19:02:46",""
"7717077","8.3","0.004","11.361","0.005","15.321","0.006","93.883","0.006","96.666","0.005","105.289","0.005","1376.9","1","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H28 Cl2 Cu N6 O8 -","- C23 H28 Cl2 Cu N6 O8 -","- C46 H56 Cl4 Cu2 N12 O16 -","2","1","","Mikata, Yuji; Akedo, Miyu; Hamamoto, Erina; Yoshida, Shoko; Shoji, Sunao; Ohsedo, Yutaka; Matsuo, Takashi; Storr, Tim; Funahashi, Yasuhiro","Structural and electrochemical properties of mononuclear copper(II) complexes with pentadentate ethylenediamine-based ligands with pyridine/quinoline/isoquinoline/quinoxaline binding sites.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16716","16732","10.1039/d4dt02363c","","","0.71075","MoKα","","0.0551","0.0476","","","0.1275","0.1366","","","","","","1.043","","","","has coordinates","296583","2024-12-06","19:01:20",""
"7717078","19.7113","0.0005","45.9648","0.0014","8.4267","0.0002","90","","90","","90","","7634.8","0.4","150","0.1","150.15","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C36.5 H36.25 Cl2 Cu N6.75 O8 -","- C36.5 H36.25 Cl2 Cu N6.75 O8 -","- C292 H290 Cl16 Cu8 N54 O64 -","8","2","","Mikata, Yuji; Akedo, Miyu; Hamamoto, Erina; Yoshida, Shoko; Shoji, Sunao; Ohsedo, Yutaka; Matsuo, Takashi; Storr, Tim; Funahashi, Yasuhiro","Structural and electrochemical properties of mononuclear copper(II) complexes with pentadentate ethylenediamine-based ligands with pyridine/quinoline/isoquinoline/quinoxaline binding sites.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16716","16732","10.1039/d4dt02363c","","","0.71073","MoKα","","0.0745","0.0484","","","0.1139","0.126","","","","","","1.037","","","","has coordinates,has disorder","296583","2024-12-06","19:01:21",""
"7717079","20.82","0.004","7.9052","0.0015","18.113","0.004","90","","110.212","0.003","90","","2797.6","1","153","","153","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C26 H27 Cl2 Cu N5 O8 -","- C26 H27 Cl2 Cu N5 O8 -","- C104 H108 Cl8 Cu4 N20 O32 -","4","1","","Mikata, Yuji; Akedo, Miyu; Hamamoto, Erina; Yoshida, Shoko; Shoji, Sunao; Ohsedo, Yutaka; Matsuo, Takashi; Storr, Tim; Funahashi, Yasuhiro","Structural and electrochemical properties of mononuclear copper(II) complexes with pentadentate ethylenediamine-based ligands with pyridine/quinoline/isoquinoline/quinoxaline binding sites.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16716","16732","10.1039/d4dt02363c","","","0.71075","MoKα","","0.0911","0.0791","","","0.214","0.2397","","","","","","1.116","","","","has coordinates","296583","2024-12-06","19:01:21",""
"7717080","9.9174","0.0002","18.9067","0.0004","37.0398","0.0007","90","","91.504","0.002","90","","6942.8","0.2","150.01","0.1","150.01","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C35 H32.5 Cl2 Cu N5.5 O8 -","- C35 H32.5 Cl2 Cu N5.5 O8 -","- C280 H260 Cl16 Cu8 N44 O64 -","8","1","","Mikata, Yuji; Akedo, Miyu; Hamamoto, Erina; Yoshida, Shoko; Shoji, Sunao; Ohsedo, Yutaka; Matsuo, Takashi; Storr, Tim; Funahashi, Yasuhiro","Structural and electrochemical properties of mononuclear copper(II) complexes with pentadentate ethylenediamine-based ligands with pyridine/quinoline/isoquinoline/quinoxaline binding sites.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16716","16732","10.1039/d4dt02363c","","x-ray","0.71073","MoKα","","0.0589","0.0472","","","0.1325","0.1402","","","","","","1.066","","","","has coordinates,has disorder","296583","2024-12-06","19:01:21",""
"7717081","21.039","0.01","7.934","0.004","18.056","0.009","90","","110.078","0.007","90","","2831","2","153","","153","","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C26 H27 Cl Cu F6 N5 O4 P -","- C26 H27 Cl Cu F6 N5 O4 P -","- C104 H108 Cl4 Cu4 F24 N20 O16 P4 -","4","1","","Mikata, Yuji; Akedo, Miyu; Hamamoto, Erina; Yoshida, Shoko; Shoji, Sunao; Ohsedo, Yutaka; Matsuo, Takashi; Storr, Tim; Funahashi, Yasuhiro","Structural and electrochemical properties of mononuclear copper(II) complexes with pentadentate ethylenediamine-based ligands with pyridine/quinoline/isoquinoline/quinoxaline binding sites.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16716","16732","10.1039/d4dt02363c","","","0.71075","MoKα","","0.068","0.0561","","","0.1553","0.1684","","","","","","1.036","","","","has coordinates","296583","2024-12-06","19:01:21",""
"7717082","10.724","0.0019","13.815","0.003","15.435","0.003","84.3269","0.001","74.387","0.008","71.884","0.006","2092.9","0.7","153","","153","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H38 Cl3 Cu N6 Na O13 -","- C40 H36 Cl3 Cu N6 Na O13 -","- C80 H72 Cl6 Cu2 N12 Na2 O26 -","2","1","","Mikata, Yuji; Akedo, Miyu; Hamamoto, Erina; Yoshida, Shoko; Shoji, Sunao; Ohsedo, Yutaka; Matsuo, Takashi; Storr, Tim; Funahashi, Yasuhiro","Structural and electrochemical properties of mononuclear copper(II) complexes with pentadentate ethylenediamine-based ligands with pyridine/quinoline/isoquinoline/quinoxaline binding sites.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16716","16732","10.1039/d4dt02363c","","","0.71075","MoKα","","0.061","0.0546","","","0.1539","0.1631","","","","","","1.042","","","","has coordinates","296583","2024-12-06","19:01:21",""
"7717083","14.734","0.002","21.124","0.003","10.5506","0.0016","90","","90","","90","","3283.8","0.8","153","","153","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C34 H31 Cl2 Cu N5 O8 -","- C34 H31 Cl2 Cu N5 O8 -","- C136 H124 Cl8 Cu4 N20 O32 -","4","1","","Mikata, Yuji; Akedo, Miyu; Hamamoto, Erina; Yoshida, Shoko; Shoji, Sunao; Ohsedo, Yutaka; Matsuo, Takashi; Storr, Tim; Funahashi, Yasuhiro","Structural and electrochemical properties of mononuclear copper(II) complexes with pentadentate ethylenediamine-based ligands with pyridine/quinoline/isoquinoline/quinoxaline binding sites.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16716","16732","10.1039/d4dt02363c","","","0.71075","MoKα","","0.0453","0.0413","","","0.1061","0.1118","","","","","","1.042","","","","has coordinates","296583","2024-12-06","19:01:21",""
"7717084","14.5386","0.0019","18.525","0.003","21.715","0.003","90","","90","","90","","5848.4","1.5","153","","153","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H29 Cl2 Cu N5 O8 -","- C27 H29 Cl2 Cu N5 O8 -","- C216 H232 Cl16 Cu8 N40 O64 -","8","1","","Mikata, Yuji; Akedo, Miyu; Hamamoto, Erina; Yoshida, Shoko; Shoji, Sunao; Ohsedo, Yutaka; Matsuo, Takashi; Storr, Tim; Funahashi, Yasuhiro","Structural and electrochemical properties of mononuclear copper(II) complexes with pentadentate ethylenediamine-based ligands with pyridine/quinoline/isoquinoline/quinoxaline binding sites.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16716","16732","10.1039/d4dt02363c","","","0.71075","MoKα","","0.0493","0.0435","","","0.1074","0.1122","","","","","","1.052","","","","has coordinates","296583","2024-12-06","19:01:21",""
"7717085","8.1238","0.0002","37.8829","0.0008","41.6362","0.0012","90","","92.788","0.002","90","","12798.5","0.6","150.01","0.1","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30.75 H32.25 Cl2 Cu N5 O8.88 -","- C30.75 H32.25 Cl2 Cu N5 O8.875 -","- C492 H516 Cl32 Cu16 N80 O142 -","16","4","","Mikata, Yuji; Akedo, Miyu; Hamamoto, Erina; Yoshida, Shoko; Shoji, Sunao; Ohsedo, Yutaka; Matsuo, Takashi; Storr, Tim; Funahashi, Yasuhiro","Structural and electrochemical properties of mononuclear copper(II) complexes with pentadentate ethylenediamine-based ligands with pyridine/quinoline/isoquinoline/quinoxaline binding sites.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16716","16732","10.1039/d4dt02363c","","","0.71073","MoKα","","0.1167","0.0572","","","0.1316","0.1549","","","","","","1.058","","","","has coordinates,has disorder","296583","2024-12-06","19:01:21",""
"7717086","18.6631","0.0005","15.1459","0.0003","28.2417","0.0009","90","","105.021","0.003","90","","7710.3","0.4","150","0.1","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35.5 H37 Cl3.5 Cu N5.5 O9 -","- C35.5 H37 Cl3.5 Cu N5.5 O9 -","- C284 H296 Cl28 Cu8 N44 O72 -","8","2","","Mikata, Yuji; Akedo, Miyu; Hamamoto, Erina; Yoshida, Shoko; Shoji, Sunao; Ohsedo, Yutaka; Matsuo, Takashi; Storr, Tim; Funahashi, Yasuhiro","Structural and electrochemical properties of mononuclear copper(II) complexes with pentadentate ethylenediamine-based ligands with pyridine/quinoline/isoquinoline/quinoxaline binding sites.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16716","16732","10.1039/d4dt02363c","","","0.71073","MoKα","","0.1055","0.0706","","","0.201","0.2224","","","","","","1.039","","","","has coordinates,has disorder","296583","2024-12-06","19:01:21",""
"7717087","11.805","0.003","13.196","0.004","13.294","0.004","86.264","0.007","75.769","0.006","88.616","0.006","2003","1","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H42 Cl2 Cu N6 O9 -","- C42 H42 Cl2 Cu N6 O9 -","- C84 H84 Cl4 Cu2 N12 O18 -","2","1","","Mikata, Yuji; Akedo, Miyu; Hamamoto, Erina; Yoshida, Shoko; Shoji, Sunao; Ohsedo, Yutaka; Matsuo, Takashi; Storr, Tim; Funahashi, Yasuhiro","Structural and electrochemical properties of mononuclear copper(II) complexes with pentadentate ethylenediamine-based ligands with pyridine/quinoline/isoquinoline/quinoxaline binding sites.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16716","16732","10.1039/d4dt02363c","","","0.71075","MoKα","","0.0529","0.0443","","","0.1181","0.1267","","","","","","1.072","","","","has coordinates","296583","2024-12-06","19:01:21",""
"7717088","13.425","0.006","15.738","0.007","19.413","0.008","76.205","0.01","86.332","0.009","87.694","0.008","3974","3","153","","153.15","","","","","","","","","6","P -1","-P 1","2","","","","- C41.5 H38.75 Cl2 Cu N6.25 O8 -","- C41.5 H38.75 Cl2 Cu N6.25 O8 -","- C166 H155 Cl8 Cu4 N25 O32 -","4","2","","Mikata, Yuji; Akedo, Miyu; Hamamoto, Erina; Yoshida, Shoko; Shoji, Sunao; Ohsedo, Yutaka; Matsuo, Takashi; Storr, Tim; Funahashi, Yasuhiro","Structural and electrochemical properties of mononuclear copper(II) complexes with pentadentate ethylenediamine-based ligands with pyridine/quinoline/isoquinoline/quinoxaline binding sites.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16716","16732","10.1039/d4dt02363c","","","0.71075","MoKα","","0.1015","0.0635","","","0.1621","0.2045","","","","","","1.04","","","","has coordinates,has disorder","296583","2024-12-06","19:01:21",""
"7717089","6.9774","0.0002","6.9774","0.0002","34.432","0.002","90","","90","","90","","1676.29","0.12","113","","113","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C19 H13 N3 O4 U -","- C19 H13 N3 O4 U -","- C76 H52 N12 O16 U4 -","4","0.5","","Takeyama, Tomoyuki; Tsushima, Satoru; Takao, Koichiro","Controlling mixed-valence states of pyridyldiimino-bis(<i>o</i>-phenolato) ligand radical in uranyl(VI) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16671","16684","10.1039/d4dt01821d","","","0.71073","MoKα","","0.0661","0.0528","","","0.1049","0.1089","","","","","","1.069","","","","has coordinates","296589","2024-12-06","19:03:14",""
"7717090","14.1328","0.0007","17.944","0.0008","10.8539","0.0004","90","","109.71","0.005","90","","2591.3","0.2","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27.07 H29.15 Cl0.15 N3 O4 U -","- C27 H29 N3 O4 U -","- C108 H116 N12 O16 U4 -","4","1","","Takeyama, Tomoyuki; Tsushima, Satoru; Takao, Koichiro","Controlling mixed-valence states of pyridyldiimino-bis(<i>o</i>-phenolato) ligand radical in uranyl(VI) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16671","16684","10.1039/d4dt01821d","","","0.71073","MoKα","","0.0755","0.0532","","","0.112","0.1201","","","","","","1.023","","","","has coordinates","296589","2024-12-06","19:03:14",""
"7717091","11.579","0.0003","20.8632","0.0006","43.8957","0.001","90","","95.98","0.002","90","","10546.4","0.5","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 N4 O6 U -","- C27 H28 N4 O6 U -","- C432 H448 N64 O96 U16 -","16","4","","Takeyama, Tomoyuki; Tsushima, Satoru; Takao, Koichiro","Controlling mixed-valence states of pyridyldiimino-bis(<i>o</i>-phenolato) ligand radical in uranyl(VI) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16671","16684","10.1039/d4dt01821d","","","1.54184","CuKα","","0.1839","0.0809","","","0.1947","0.2489","","","","","","0.96","","","","has coordinates","296589","2024-12-06","19:03:14",""
"7717092","13.1255","0.0003","12.7366","0.0003","27.4694","0.0007","90","","90","","90","","4592.18","0.19","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H22 Cl2 F6 N2 P Rh -","- C20 H22 Cl2 F6 N2 P Rh -","- C160 H176 Cl16 F48 N16 P8 Rh8 -","8","1","","Stiel, Jonah P.; Henke, Wade C.; Moore, William N. G.; Barker, Nathaniel M.; Oliver, Allen G.; Day, Victor W.; Blakemore, James D.","Redox properties of [Cp*Rh] complexes supported by mono-substituted 2,2'-bipyridyl ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","41","16956","16965","10.1039/d4dt01766h","","x-ray","1.54178","CuKα","","0.049","0.0478","","","0.1062","0.1067","","","","","","1.076","","","","has coordinates","296514","2024-12-06","18:22:46",""
"7717093","13.676","0.003","22.527","0.005","15.898","0.003","90","","90","","90","","4897.8","1.8","120","2","120","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C21 H22 Cl F3 N3 O5 Rh S -","- C21 H22 Cl F3 N3 O5 Rh S -","- C168 H176 Cl8 F24 N24 O40 Rh8 S8 -","8","2","","Stiel, Jonah P.; Henke, Wade C.; Moore, William N. G.; Barker, Nathaniel M.; Oliver, Allen G.; Day, Victor W.; Blakemore, James D.","Redox properties of [Cp*Rh] complexes supported by mono-substituted 2,2'-bipyridyl ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","41","16956","16965","10.1039/d4dt01766h","","x-ray","0.71073","MoKα","","0.0759","0.0482","","","0.0956","0.1061","","","","","","1.024","","","","has coordinates","296514","2024-12-06","18:22:49",""
"7717094","15.898","0.003","22.527","0.005","13.676","0.003","90","","90","","90","","4897.8","1.8","120","2","120","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C21 H22 Cl F3 N3 O5 Rh S -","- C21 H22 Cl F3 N3 O5 Rh S -","- C168 H176 Cl8 F24 N24 O40 Rh8 S8 -","8","1","","Stiel, Jonah P.; Henke, Wade C.; Moore, William N. G.; Barker, Nathaniel M.; Oliver, Allen G.; Day, Victor W.; Blakemore, James D.","Redox properties of [Cp*Rh] complexes supported by mono-substituted 2,2'-bipyridyl ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","41","16956","16965","10.1039/d4dt01766h","","x-ray","0.71073","MoKα","","0.0935","0.0772","","","0.1486","0.1534","","","","","","1.38","","","","has coordinates,has disorder","296514","2024-12-06","18:22:57",""
"7717095","6.1258","0.0003","25.4289","0.0009","11.3897","0.0004","90","","93.209","0.004","90","","1771.42","0.12","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 Cl F4 N2 O4 S2 -","- C13 H13 Cl F4 N2 O4 S2 -","- C52 H52 Cl4 F16 N8 O16 S8 -","4","1","","Mukhopadhyay, Joy; Sahoo, Subash C.; Bharatam, Prasad V.","(Imidazol-2-ylidene) → S coordination interactions and its modulation upon <i>S</i>-oxidation.","Dalton transactions (Cambridge, England : 2003)","2024","53","41","17050","17058","10.1039/d4dt02286f","","x-ray","0.71073","MoKα","","0.0749","0.0576","","","0.1622","0.1749","","","","","","1.063","","","","has coordinates","296505","2024-12-06","18:19:26",""
"7717096","7.7328","0.0007","7.9098","0.0007","15.8738","0.0009","82.544","0.006","81.102","0.006","67.567","0.009","883.98","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H13 Cl F4 N2 O3 S2 -","- C13 H13 Cl F4 N2 O3 S2 -","- C26 H26 Cl2 F8 N4 O6 S4 -","2","1","","Mukhopadhyay, Joy; Sahoo, Subash C.; Bharatam, Prasad V.","(Imidazol-2-ylidene) → S coordination interactions and its modulation upon <i>S</i>-oxidation.","Dalton transactions (Cambridge, England : 2003)","2024","53","41","17050","17058","10.1039/d4dt02286f","","x-ray","0.71073","MoKα","","0.078","0.0482","","","0.1094","0.1258","","","","","","1.083","","","","has coordinates","296505","2024-12-06","18:19:27",""
"7717097","7.7355","0.0004","10.8997","0.0005","21.29","0.001","90","","92.262","0.004","90","","1793.66","0.15","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H52 Cl4 F16 N8 O20 S8 -","- C52 H52 Cl4 F16 N8 O20 S8 -","- C52 H52 Cl4 F16 N8 O20 S8 -","1","0.25","","Mukhopadhyay, Joy; Sahoo, Subash C.; Bharatam, Prasad V.","(Imidazol-2-ylidene) → S coordination interactions and its modulation upon <i>S</i>-oxidation.","Dalton transactions (Cambridge, England : 2003)","2024","53","41","17050","17058","10.1039/d4dt02286f","","x-ray","0.71073","MoKα","","0.0903","0.0505","","","0.1094","0.1256","","","","","","1.057","","","","has coordinates","296505","2024-12-06","18:19:27",""
"7717098","46.5632","0.0009","14.5689","0.0003","19.2839","0.0003","90","","111.76","0.001","90","","12149.6","0.4","111","2","111","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H63 Br2 Mn2 O6 P4 Si2 -","- C58 H63 Br2 Mn2 O6 P4 Si2 -","- C464 H504 Br16 Mn16 O48 P32 Si16 -","8","1","","Ward, Daniel J.; Marseglia, Margot; Saccomando, Daniel J.; Walker, Gary; Mansell, Stephen M.","Manganese 2-phosphinophosphinine precatalysts for methanol/ethanol upgrading to isobutanol.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16598","16609","10.1039/d4dt02142h","","","1.54178","CuKα","","0.0815","0.0604","","","0.1407","0.1544","","","","","","1.028","","","","has coordinates","296590","2024-12-06","19:03:40",""
"7717099","10.7367","0.0002","11.603","0.0002","13.8932","0.0003","69.511","0.001","83.775","0.001","80.424","0.001","1596.34","0.05","101","","101","","","","","","","","","8","P -1","-P 1","2","","","","- C31 H28 Br D6 Mn O4 P2 Si -","- C31 H28 Br D6 Mn O4 P2 Si -","- C62 H56 Br2 D12 Mn2 O8 P4 Si2 -","2","1","","Ward, Daniel J.; Marseglia, Margot; Saccomando, Daniel J.; Walker, Gary; Mansell, Stephen M.","Manganese 2-phosphinophosphinine precatalysts for methanol/ethanol upgrading to isobutanol.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16598","16609","10.1039/d4dt02142h","","","1.54178","CuKα","","0.03","0.0286","","","0.0758","0.0763","","","","","","1.065","","","","has coordinates","296590","2024-12-06","19:03:41",""
"7717100","9.1873","0.0008","11.328","0.0011","13.6859","0.0011","73.526","0.006","73.88","0.006","87.503","0.007","1311.2","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H26 Br Mn O4 P2 Si -","- C24 H26 Br Mn O4 P2 Si -","- C48 H52 Br2 Mn2 O8 P4 Si2 -","2","1","","Ward, Daniel J.; Marseglia, Margot; Saccomando, Daniel J.; Walker, Gary; Mansell, Stephen M.","Manganese 2-phosphinophosphinine precatalysts for methanol/ethanol upgrading to isobutanol.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16598","16609","10.1039/d4dt02142h","","","1.54178","CuKα","","0.1157","0.09","","","0.2217","0.2492","","","","","","1.077","","","","has coordinates","296590","2024-12-06","19:03:41",""
"7717101","14.2627","0.0003","13.7362","0.0003","14.3867","0.0003","90","","95.774","0.001","90","","2804.27","0.1","107","2","107","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H30 Br Mn O5 P2 Si -","- C25 H30 Br Mn O5 P2 Si -","- C100 H120 Br4 Mn4 O20 P8 Si4 -","4","1","","Ward, Daniel J.; Marseglia, Margot; Saccomando, Daniel J.; Walker, Gary; Mansell, Stephen M.","Manganese 2-phosphinophosphinine precatalysts for methanol/ethanol upgrading to isobutanol.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16598","16609","10.1039/d4dt02142h","","","1.54178","CuKα","","0.028","0.0268","","","0.0677","0.0685","","","","","","1.05","","","","has coordinates,has disorder","296590","2024-12-06","19:03:41",""
"7717102","11.5013","0.0001","12.6985","0.0001","15.3433","0.0001","90","","95.733","0.0006","90","","2229.67","0.03","120","0.1","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","chloridodiflunisalato(2,9-dimethyl-1,10-phenathroline)zinc(ii)","chloridodiflunisalato(2,9-dimethyl-1,10-phenathroline)zinc(ii)","","- C27 H19 Cl F2 N2 O3 Zn -","- C27 H19 Cl F2 N2 O3 Zn -","- C108 H76 Cl4 F8 N8 O12 Zn4 -","4","1","","Smolková, Romana; Smolko, Lukáš; Samoľová, Erika; Morgan, Ibrahim; Rennert, Robert; Kaluđerović, Goran N","Novel Zn(II), Co(II) and Cu(II) diflunisalato complexes with neocuproine and their exceptional antiproliferative activity against cancer cell lines.","Dalton transactions (Cambridge, England : 2003)","2024","53","43","17595","17607","10.1039/d4dt01736f","","x-ray","1.54184","CuKα","","0.0329","0.0312","","","0.0848","0.0853","","","","2.85","2.85","2.79","","","","has coordinates","296523","2024-12-06","18:27:11",""
"7717103","11.6277","0.0007","12.634","0.0005","15.2269","0.0007","90","","95.864","0.004","90","","2225.19","0.19","120","0.1","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","chloridodiflunisalato(2,9-dimethyl-1,10-phenathroline)cobalt(ii)","chloridodiflunisalato(2,9-dimethyl-1,10-phenathroline)cobalt(ii)","","- C27 H19 Cl Co F2 N2 O3 -","- C27 H19 Cl Co F2 N2 O3 -","- C108 H76 Cl4 Co4 F8 N8 O12 -","4","1","","Smolková, Romana; Smolko, Lukáš; Samoľová, Erika; Morgan, Ibrahim; Rennert, Robert; Kaluđerović, Goran N","Novel Zn(II), Co(II) and Cu(II) diflunisalato complexes with neocuproine and their exceptional antiproliferative activity against cancer cell lines.","Dalton transactions (Cambridge, England : 2003)","2024","53","43","17595","17607","10.1039/d4dt01736f","","x-ray","0.71073","MoKα","","0.0527","0.0368","","","0.0785","0.0818","","","","1.92","1.92","1.77","","","","has coordinates","296523","2024-12-06","18:27:11",""
"7717104","9.4922","0.0003","9.7102","0.0003","13.8187","0.0004","90.538","0.003","97.661","0.002","115.412","0.003","1137.02","0.07","120","0.1","120","","","","","","","","","7","P -1","-P 1","2","chloridodiflunisalato(2,9-dimethyl-1,10-phenathroline)copper(ii)","chloridodiflunisalato(2,9-dimethyl-1,10-phenathroline)copper(ii)","","- C27 H18 Cl Cu F2 N2 O3 -","- C27 H18 Cl Cu F2 N2 O3 -","- C54 H36 Cl2 Cu2 F4 N4 O6 -","2","1","","Smolková, Romana; Smolko, Lukáš; Samoľová, Erika; Morgan, Ibrahim; Rennert, Robert; Kaluđerović, Goran N","Novel Zn(II), Co(II) and Cu(II) diflunisalato complexes with neocuproine and their exceptional antiproliferative activity against cancer cell lines.","Dalton transactions (Cambridge, England : 2003)","2024","53","43","17595","17607","10.1039/d4dt01736f","","x-ray","1.54184","CuKα","","0.0433","0.038","","","0.0874","0.0896","","","","2.04","2.04","1.94","","","","has coordinates","296523","2024-12-06","18:27:11",""
"7717105","9.7821","0.0004","8.2254","0.0004","19.3571","0.0007","90","","91.447","0.003","90","","1557.01","0.11","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C27 H51 N11 -","- C27 H51 N11 -","- C54 H102 N22 -","2","1","","Horniichuk, Oleksandr Ye; Vendier, Laure; Salmon, Lionel; Bousseksou, Azzedine","Gradual spin crossover behavior encompasing room temperature in an iron(II) complex based on a heteroscorpionate ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","41","17083","17096","10.1039/d4dt02244k","","x-ray","1.54184","CuKα","","0.041","0.0368","","","0.0966","0.0998","","","","","","1.053","","","","has coordinates","296507","2024-12-06","18:20:08",""
"7717106","10.364","0.003","16.49","0.004","12.598","0.003","90","","95.789","0.008","90","","2142","1","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 B2 Fe N16 -","- C16 H20 B2 Fe N16 -","- C64 H80 B8 Fe4 N64 -","4","1","","Horniichuk, Oleksandr Ye; Vendier, Laure; Salmon, Lionel; Bousseksou, Azzedine","Gradual spin crossover behavior encompasing room temperature in an iron(II) complex based on a heteroscorpionate ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","41","17083","17096","10.1039/d4dt02244k","","","0.71073","MoKα","","0.0438","0.0352","","0.0966","0.0904","0.0966","","","","","","0.9484","","","","has coordinates","296507","2024-12-06","18:20:08",""
"7717107","10.6457","0.0002","16.6839","0.0005","13.072","0.0003","90","","94.662","0.002","90","","2314.06","0.1","393","","393","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 B2 Fe N16 -","- C16 H20 B2 Fe N16 -","- C64 H80 B8 Fe4 N64 -","4","1","","Horniichuk, Oleksandr Ye; Vendier, Laure; Salmon, Lionel; Bousseksou, Azzedine","Gradual spin crossover behavior encompasing room temperature in an iron(II) complex based on a heteroscorpionate ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","41","17083","17096","10.1039/d4dt02244k","","x-ray","1.54184","CuKα","","0.0572","0.0471","","0.1498","0.1427","0.1498","","","","","","1.0248","","","","has coordinates","296507","2024-12-06","18:20:08",""
"7717108","10.5951","0.0007","16.5995","0.0009","12.9503","0.0008","90","","94.867","0.006","90","","2269.4","0.2","320","2","320","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 B2 Fe N16 -","- C16 H20 B2 Fe N16 -","- C64 H80 B8 Fe4 N64 -","4","1","","Horniichuk, Oleksandr Ye; Vendier, Laure; Salmon, Lionel; Bousseksou, Azzedine","Gradual spin crossover behavior encompasing room temperature in an iron(II) complex based on a heteroscorpionate ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","41","17083","17096","10.1039/d4dt02244k","","","0.71073","","","0.1683","0.0645","","","0.1263","0.1609","","","","","","1.009","","","","has coordinates","296507","2024-12-06","18:20:08",""
"7717109","10.547","0.003","16.596","0.004","12.943","0.004","90","","95.213","0.01","90","","2256.1","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 B2 Fe N16 -","- C16 H20 B2 Fe N16 -","- C64 H80 B8 Fe4 N64 -","4","1","","Horniichuk, Oleksandr Ye; Vendier, Laure; Salmon, Lionel; Bousseksou, Azzedine","Gradual spin crossover behavior encompasing room temperature in an iron(II) complex based on a heteroscorpionate ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","41","17083","17096","10.1039/d4dt02244k","","","0.71073","MoKα","","0.1009","0.0559","","","0.1013","0.115","","","","","","1.095","","","","has coordinates,has disorder","296507","2024-12-06","18:20:09",""
"7717110","9.6251","0.0018","18.494","0.003","13.335","0.003","90","","91.54","0.006","90","","2372.9","0.8","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 B2 Fe N16 -","- C18 H16 B2 Fe N16 -","- C72 H64 B8 Fe4 N64 -","4","0.5","","Horniichuk, Oleksandr Ye; Vendier, Laure; Salmon, Lionel; Bousseksou, Azzedine","Gradual spin crossover behavior encompasing room temperature in an iron(II) complex based on a heteroscorpionate ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","41","17083","17096","10.1039/d4dt02244k","","","0.71073","MoKα","","0.0541","0.0368","","0.121","0.1021","0.121","","","","","","0.8531","","","","has coordinates","296507","2024-12-06","18:20:09",""
"7717111","7.4188","0.0002","23.3314","0.0007","15.4739","0.0003","90","","101.793","0.002","90","","2621.86","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 B2 Cl2 Fe N16 -","- C19 H18 B2 Cl2 Fe N16 -","- C76 H72 B8 Cl8 Fe4 N64 -","4","1","","Horniichuk, Oleksandr Ye; Vendier, Laure; Salmon, Lionel; Bousseksou, Azzedine","Gradual spin crossover behavior encompasing room temperature in an iron(II) complex based on a heteroscorpionate ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","41","17083","17096","10.1039/d4dt02244k","","x-ray","1.54184","CuKα","","0.0863","0.0755","","","0.2095","0.2142","","","","","","1.105","","","","has coordinates","296507","2024-12-06","18:20:09",""
"7717112","11.9642","0.0001","15.7273","0.0001","15.076","0.0002","90","","92.122","0.001","90","","2834.82","0.05","173","8","173","8","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 B N9 O2 -","- C24 H44 B N9 O2 -","- C96 H176 B4 N36 O8 -","4","1","","Horniichuk, Oleksandr Ye; Vendier, Laure; Salmon, Lionel; Bousseksou, Azzedine","Gradual spin crossover behavior encompasing room temperature in an iron(II) complex based on a heteroscorpionate ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","41","17083","17096","10.1039/d4dt02244k","","x-ray","1.54184","CuKα","","0.0496","0.0413","","","0.1101","0.1172","","","","","","1.047","","","","has coordinates","296507","2024-12-06","18:20:09",""
"7717113","16.3834","0.0005","27.2898","0.0009","17.2612","0.0006","90","","112.972","0.001","90","","7105.4","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C73 H81 N8 O17 Zn2 -","- C67 H62 N7 O13 Zn2 -","- C268 H248 N28 O52 Zn8 -","4","1","","Khotchasanthong, Kenika; Chinchan, Kunlanit; Kongpatpanich, Kanokwan; Pinyo, Waraporn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Laksee, Sakchai; Chainok, Kittipong","Construction of 2D zinc(II) MOFs with tricarboxylate and N-donor mixed ligands for multiresponsive luminescence sensors and CO<sub>2</sub> adsorption.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18243","18257","10.1039/d4dt01825g","","x-ray","1.54178","CuKα","K-L~3~","0.0636","0.0587","","","0.166","0.1715","","","","","","1.02","","","","has coordinates,has disorder","296606","2024-12-06","19:11:54",""
"7717114","14.588","0.0004","16.0895","0.0004","16.5097","0.0004","65.051","0.001","86.836","0.001","89.483","0.001","3507.65","0.16","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C69 H71 N8 O16 Zn2 -","- C60 H43 N4 O12 Zn2 -","- C120 H86 N8 O24 Zn4 -","2","1","","Khotchasanthong, Kenika; Chinchan, Kunlanit; Kongpatpanich, Kanokwan; Pinyo, Waraporn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Laksee, Sakchai; Chainok, Kittipong","Construction of 2D zinc(II) MOFs with tricarboxylate and N-donor mixed ligands for multiresponsive luminescence sensors and CO<sub>2</sub> adsorption.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18243","18257","10.1039/d4dt01825g","","x-ray","1.54178","CuKα","K-L~3~","0.0643","0.0608","","","0.1957","0.201","","","","","","1.043","","","","has coordinates,has disorder","296606","2024-12-06","19:11:56",""
"7717115","31.2206","0.0011","13.5395","0.0005","18.7558","0.0006","90","","102.904","0.002","90","","7728.1","0.5","110","2","109.99","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C64 H54 F24 N16 P4 Ru2 S -","- C64 H54 F24 N16 P4 Ru2 S -","- C256 H216 F96 N64 P16 Ru8 S4 -","4","0.5","","Konkol, Kristine L.; Wilcox, Wyatt D.; Rasmussen, Seth C.","2,3-Bis(2-pyridyl)thieno[3,4-<i>b</i>]pyrazine and its ruthenium(II) complexes: a new bidentate bridging ligand for enhanced metal-metal communication.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16685","16692","10.1039/d4dt02495h","","","1.54178","CuKα","","0.0786","0.0742","","","0.2115","0.2152","","","","","","1.087","","","","has coordinates,has disorder","296591","2024-12-06","19:04:20",""
"7717116","15.1841","0.001","7.529","0.0004","11.9534","0.0007","90","","97.518","0.004","90","","1354.78","0.14","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3-bis(2-pyridyl)thieno[3,4-b]pyrazine","","- C16 H10 N4 S -","- C16 H10 N4 S -","- C64 H40 N16 S4 -","4","1","","Konkol, Kristine L.; Wilcox, Wyatt D.; Rasmussen, Seth C.","2,3-Bis(2-pyridyl)thieno[3,4-<i>b</i>]pyrazine and its ruthenium(II) complexes: a new bidentate bridging ligand for enhanced metal-metal communication.","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16685","16692","10.1039/d4dt02495h","","","1.54178","CuKα","","0.0985","0.0833","","","0.2228","0.2355","","","","","","1.032","","","","has coordinates","296591","2024-12-06","19:04:20",""
"7717117","10.502","0.0005","13.535","0.0007","15.0523","0.0008","91.912","0.002","103.429","0.002","99.557","0.002","2046.44","0.18","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C47 H19 Cu F15 N6 O2 -","- C47 H19 Cu F15 N6 O2 -","- C94 H38 Cu2 F30 N12 O4 -","2","1","","Lv, Xiaojuan; Qian, Long; Tkachenko, Nikolay V.; Zhang, Tao; Qiu, Fengxian; Aratani, Naoki; Ikeue, Takahisa; Pan, Jianming; Xue, Songlin","Copper complexation of rosarin: formation of bis-copper rosarin and mono-copper linear tridipyrrin complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","41","16879","16884","10.1039/d4dt02161d","","x-ray","0.71073","MoKα","","0.1287","0.0695","","","0.0941","0.1155","","","","","","1.097","","","","has coordinates,has disorder","296508","2024-12-06","18:20:22",""
"7717118","8.8187","0.0004","33.2549","0.0014","16.0729","0.0006","90","","95.606","0.002","90","","4691.1","0.3","193","2","193.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H14 Cl4 Cu2 F15 N6 -","- C46 H14 Cl4 Cu2 F15 N6 -","- C184 H56 Cl16 Cu8 F60 N24 -","4","1","","Lv, Xiaojuan; Qian, Long; Tkachenko, Nikolay V.; Zhang, Tao; Qiu, Fengxian; Aratani, Naoki; Ikeue, Takahisa; Pan, Jianming; Xue, Songlin","Copper complexation of rosarin: formation of bis-copper rosarin and mono-copper linear tridipyrrin complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","41","16879","16884","10.1039/d4dt02161d","","","1.34139","GaKα","","0.1025","0.0612","","","0.1504","0.1687","","","","","","1.071","","","","has coordinates","296508","2024-12-06","18:20:23",""
"7717119","9.2487","0.0002","15.9203","0.0002","15.9733","0.0003","90","","90","","90","","2351.94","0.07","170","0.1","170","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 Br2 Fe N P -","- C25 H22 Br2 Fe N P -","- C100 H88 Br8 Fe4 N4 P4 -","4","1","","Slamova, Ainur; Bizhanova, Ayazhan; Talimonyuk, Ofeliya; Gudun, Kristina A.; Tussupbayev, Samat; Dmitrienko, Anton; Kassymbek, Aishabibi; Lyssenko, Konstantin A.; Khalimon, Andrey Y.","Aminophosphine PN<sup>H</sup> complexes of Mn(I), Fe(II), and Co(II) and evaluation of their activities in the transfer hydrogenation of nitriles.","Dalton transactions (Cambridge, England : 2003)","2024","53","41","16861","16870","10.1039/d4dt02442g","","","0.71073","MoKα","","0.0237","0.0201","","","0.041","0.0419","","","","","","1.044","","","","has coordinates","296513","2024-12-06","18:22:26",""
"7717120","9.1513","0.0005","12.9619","0.0007","20.7392","0.001","90","","92.0577","0.0011","90","","2458.5","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 Cl2 Co N P -","- C27 H24 Cl2 Co N P -","- C108 H96 Cl8 Co4 N4 P4 -","4","1","","Slamova, Ainur; Bizhanova, Ayazhan; Talimonyuk, Ofeliya; Gudun, Kristina A.; Tussupbayev, Samat; Dmitrienko, Anton; Kassymbek, Aishabibi; Lyssenko, Konstantin A.; Khalimon, Andrey Y.","Aminophosphine PN<sup>H</sup> complexes of Mn(I), Fe(II), and Co(II) and evaluation of their activities in the transfer hydrogenation of nitriles.","Dalton transactions (Cambridge, England : 2003)","2024","53","41","16861","16870","10.1039/d4dt02442g","","","0.71073","MoKα","","0.0678","0.0394","","","0.0903","0.1034","","","","","","1.031","","","","has coordinates","296513","2024-12-06","18:22:26",""
"7717121","13.6014","0.0006","9.322","0.0004","18.8813","0.0008","90","","107.051","0.001","90","","2288.77","0.17","199","","199","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 Cl2 Co N P -","- C25 H22 Cl2 Co N P -","- C100 H88 Cl8 Co4 N4 P4 -","4","1","","Slamova, Ainur; Bizhanova, Ayazhan; Talimonyuk, Ofeliya; Gudun, Kristina A.; Tussupbayev, Samat; Dmitrienko, Anton; Kassymbek, Aishabibi; Lyssenko, Konstantin A.; Khalimon, Andrey Y.","Aminophosphine PN<sup>H</sup> complexes of Mn(I), Fe(II), and Co(II) and evaluation of their activities in the transfer hydrogenation of nitriles.","Dalton transactions (Cambridge, England : 2003)","2024","53","41","16861","16870","10.1039/d4dt02442g","","","0.71073","MoKα","","0.028","0.0248","","","0.0678","0.0704","","","","","","1.043","","","","has coordinates","296513","2024-12-06","18:22:26",""
"7717122","7.8512","0.0002","11.7945","0.0002","16.0581","0.0004","75.192","0.001","84.248","0.001","84.835","0.001","1427.16","0.06","170","0.1","170","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C28 H22 Br Mn N O3 P -","- C28 H22 Br Mn N O3 P -","- C56 H44 Br2 Mn2 N2 O6 P2 -","2","1","","Slamova, Ainur; Bizhanova, Ayazhan; Talimonyuk, Ofeliya; Gudun, Kristina A.; Tussupbayev, Samat; Dmitrienko, Anton; Kassymbek, Aishabibi; Lyssenko, Konstantin A.; Khalimon, Andrey Y.","Aminophosphine PN<sup>H</sup> complexes of Mn(I), Fe(II), and Co(II) and evaluation of their activities in the transfer hydrogenation of nitriles.","Dalton transactions (Cambridge, England : 2003)","2024","53","41","16861","16870","10.1039/d4dt02442g","","","0.71073","MoKα","","0.0255","0.0229","","","0.0554","0.0566","","","","","","1.038","","","","has coordinates","296513","2024-12-06","18:22:26",""
"7717123","9.2487","0.0002","15.9203","0.0002","15.9733","0.0003","90","","90","","90","","2351.94","0.07","170","0.1","170","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 Br2 Fe N P -","- C25 H22 Br2 Fe N P -","- C100 H88 Br8 Fe4 N4 P4 -","4","1","","Zhao, Wang; Zhou, Jiazheng; Wang, Linan; Jin, Wenqi; Kong, Yingying; Chu, Yu; Li, Junjie","Pb<sub>6</sub>Ba<sub>3</sub>Si<sub>2</sub>S<sub>8</sub>I<sub>10</sub>: a new thiohalide with a quasi-two-dimensional structure and wide band gap.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17200","17206","10.1039/d4dt02315c","","","0.71073","MoKα","","0.0237","0.0201","","","0.041","0.0419","","","","","","1.044","","","","has coordinates","296531","2024-12-06","18:29:58",""
"7717124","9.1513","0.0005","12.9619","0.0007","20.7392","0.001","90","","92.0577","0.0011","90","","2458.5","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 Cl2 Co N P -","- C27 H24 Cl2 Co N P -","- C108 H96 Cl8 Co4 N4 P4 -","4","1","","Zhao, Wang; Zhou, Jiazheng; Wang, Linan; Jin, Wenqi; Kong, Yingying; Chu, Yu; Li, Junjie","Pb<sub>6</sub>Ba<sub>3</sub>Si<sub>2</sub>S<sub>8</sub>I<sub>10</sub>: a new thiohalide with a quasi-two-dimensional structure and wide band gap.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17200","17206","10.1039/d4dt02315c","","","0.71073","MoKα","","0.0678","0.0394","","","0.0903","0.1034","","","","","","1.031","","","","has coordinates","296531","2024-12-06","18:29:59",""
"7717125","13.6014","0.0006","9.322","0.0004","18.8813","0.0008","90","","107.051","0.001","90","","2288.77","0.17","199","","199","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 Cl2 Co N P -","- C25 H22 Cl2 Co N P -","- C100 H88 Cl8 Co4 N4 P4 -","4","1","","Zhao, Wang; Zhou, Jiazheng; Wang, Linan; Jin, Wenqi; Kong, Yingying; Chu, Yu; Li, Junjie","Pb<sub>6</sub>Ba<sub>3</sub>Si<sub>2</sub>S<sub>8</sub>I<sub>10</sub>: a new thiohalide with a quasi-two-dimensional structure and wide band gap.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17200","17206","10.1039/d4dt02315c","","","0.71073","MoKα","","0.028","0.0248","","","0.0678","0.0704","","","","","","1.043","","","","has coordinates","296531","2024-12-06","18:29:59",""
"7717126","7.8512","0.0002","11.7945","0.0002","16.0581","0.0004","75.192","0.001","84.248","0.001","84.835","0.001","1427.16","0.06","170","0.1","170","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C28 H22 Br Mn N O3 P -","- C28 H22 Br Mn N O3 P -","- C56 H44 Br2 Mn2 N2 O6 P2 -","2","1","","Zhao, Wang; Zhou, Jiazheng; Wang, Linan; Jin, Wenqi; Kong, Yingying; Chu, Yu; Li, Junjie","Pb<sub>6</sub>Ba<sub>3</sub>Si<sub>2</sub>S<sub>8</sub>I<sub>10</sub>: a new thiohalide with a quasi-two-dimensional structure and wide band gap.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17200","17206","10.1039/d4dt02315c","","","0.71073","MoKα","","0.0255","0.0229","","","0.0554","0.0566","","","","","","1.038","","","","has coordinates","296531","2024-12-06","18:29:59",""
"7717127","15.8989","0.0006","28.7314","0.001","10.1425","0.0004","90","","98.472","0.002","90","","4582.5","0.3","110","2","110","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C21.13 H10.4 F2 N1.13 O4 S0.37 Zn -","- C21.1335 H10.399 F2 N1.1335 O4 S0.3665 Zn -","- C169.068 H83.192 F16 N9.068 O32 S2.932 Zn8 -","8","1","","Peng, Guoqiang; Su, Zhibo; Hu, Falu; Ji, Zhenyu; Di, Zhengyi; Li, Guihua; Gao, Tingting; Zhou, Guowei; Wu, Mingyan","A 2-fold interpenetrating 3D pillar-layered MOF for the gas separation and detection of metal ions.","Dalton transactions (Cambridge, England : 2003)","2024","53","41","16815","16820","10.1039/d4dt02024c","","x-ray","1.54184","CuKα","","0.0862","0.0701","","","0.2","0.219","","","","","","1.053","","","","has coordinates,has disorder","296506","2024-12-06","18:19:38",""
"7717128","20.9939","0.0016","11.4106","0.0009","21.1115","0.0016","90","","114.368","0.002","90","","4606.8","0.6","100","","100","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C32 H31 Co Fe N5 O4 P2 -","- C32 H31 Co Fe N5 O4 P2 -","- C128 H124 Co4 Fe4 N20 O16 P8 -","4","1","","Khrizanforov, Mikhail N.; Naileva, Farida F.; Ivshin, Kamil A.; Zagidullin, Almaz A.; Samorodnova, Anastasiia P.; Milyukova, Polina V.; Shekurov, Ruslan P.; Laskin, Artem I.; Novikov, Alexander S.; Miluykov, Vasily A.","Ugi's amine based coordination polymers as synergistic catalysts for the electrocatalytic reduction of carbon dioxide.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17351","17360","10.1039/d4dt01181c","","","0.71073","MoKα","","0.2297","0.1947","","","0.5237","0.5443","","","","","","2.171","","","","has coordinates","296528","2024-12-06","18:28:11",""
"7717129","13.5306","0.0005","13.9571","0.0006","18.7997","0.0006","92.968","0.003","100.31","0.003","116.87","0.004","3080","0.2","180","","180","","","","","","","","","6","P -1","-P 1","2","","","","- C64 H42 Dy2 F12 N8 O10 -","- C64 H42 Dy2 F12 N8 O10 -","- C128 H84 Dy4 F24 N16 O20 -","2","1","","Ruan, Ting-Ting; Moreno-Pineda, Eufemio; Paul, Sagar; Schulze, Michael; Schlittenhardt, Sören; Mizuno, Asato; Wernsdorfer, Wolfgang; Ruben, Mario","Modulating quantum tunnelling of magnetization in Dy isotopologue dimers.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17281","17290","10.1039/d4dt01769b","","x-ray","0.71073","MoKα","","0.0428","0.0323","","","0.0754","0.0799","","","","","","1.0351","","","","has coordinates,has disorder","296539","2024-12-06","18:32:43",""
"7717130","13.5218","0.0005","13.948","0.0007","18.7575","0.0007","92.97","0.003","100.359","0.003","116.822","0.004","3069.8","0.3","160","","160","","","","","","","","","6","P -1","-P 1","2","","TR-433-2","","- C64 H42 Dy2 F12 N8 O10 -","- C64 H42 Dy2 F12 N8 O10 -","- C128 H84 Dy4 F24 N16 O20 -","2","1","","Ruan, Ting-Ting; Moreno-Pineda, Eufemio; Paul, Sagar; Schulze, Michael; Schlittenhardt, Sören; Mizuno, Asato; Wernsdorfer, Wolfgang; Ruben, Mario","Modulating quantum tunnelling of magnetization in Dy isotopologue dimers.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17281","17290","10.1039/d4dt01769b","","x-ray","0.71073","MoKα","","0.0679","0.0433","","","0.0898","0.0999","","","","","","0.985","","","","has coordinates","296539","2024-12-06","18:32:44",""
"7717131","8.8854","0.0003","11.7229","0.0003","13.7032","0.0004","103.143","0.001","95.891","0.001","103.427","0.001","1333.65","0.07","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 Cd N4 O11 -","- C20 H16 Cd N4 O10.999 -","- C40 H32 Cd2 N8 O21.998 -","2","1","","Maiti, Anupam; Kumar, Rakesh; Mahato, Bidyadhar; Ghoshal, Debajyoti","Excited-state intramolecular proton transfer (ESIPT) active interwoven polycatenated coordination polymer for selective detection of Al<sup>3+</sup> and Ag<sup>+</sup> ions along with water detection in less polar solvents.","Dalton transactions (Cambridge, England : 2003)","2024","53","44","18003","18012","10.1039/d4dt02285h","","","0.71073","MoKα","","0.0368","0.0338","","","0.0836","0.0851","","","","","","1.233","","","","has coordinates","296494","2024-12-06","18:12:41",""
"7717132","23.5173","0.0012","9.9015","0.0004","26.2782","0.0013","90","","109.964","0.006","90","","5751.3","0.5","100","0.11","100","0.11","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H31 B2 N3 -","- C36 H31 B2 N3 -","- C288 H248 B16 N24 -","8","2","","Stauder, Rita; Ströbele, Markus; Bettinger, Holger F.","Efficient synthesis of an unsupported aryl substituted iminoborane chain (HNArBH)<sub>2</sub>NAr (Ar = [1,1'-biphenyl]-2-yl).","Dalton transactions (Cambridge, England : 2003)","2024","53","40","16467","16469","10.1039/d4dt02280g","","x-ray","1.54184","CuKα","","0.0482","0.0309","","","0.0747","0.0812","","","","","","1.0298","","","","has coordinates","296584","2024-12-06","19:01:52",""
"7717133","11.352","0.003","12.6","0.003","13.448","0.003","110.23","0.007","94.715","0.008","103.082","0.008","1730.7","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H28 Br2 Fe N5 O6 -","- C41 H28 Br2 Fe N5 O6 -","- C82 H56 Br4 Fe2 N10 O12 -","2","1","","Chen, Feng-Li; Liu, Xin-Li; Zhao, Yue; Li, Gang; Gao, Bo-Hong; Wang, Xin-Yi","Spin crossover Fe<sup>III</sup> complexes with a substituted Hqnal ligand: effects of anions and solvents.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17233","17243","10.1039/d4dt01954g","","","1.34139","GaKα","","0.082","0.0674","","","0.1914","0.2249","","","","","","1.149","","","","has coordinates","296532","2024-12-06","18:30:22",""
"7717134","11.649","0.007","12.268","0.008","13.964","0.008","110.74","0.03","95.023","0.017","103.366","0.019","1784","1.9","300","","300","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H28 Br2 Fe N5 O6 -","- C41 H28 Br2 Fe N5 O6 -","- C82 H56 Br4 Fe2 N10 O12 -","2","1","","Chen, Feng-Li; Liu, Xin-Li; Zhao, Yue; Li, Gang; Gao, Bo-Hong; Wang, Xin-Yi","Spin crossover Fe<sup>III</sup> complexes with a substituted Hqnal ligand: effects of anions and solvents.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17233","17243","10.1039/d4dt01954g","","","1.34139","GaKα","","0.1374","0.0843","","","0.2014","0.2304","","","","","","1.088","","","","has coordinates,has disorder","296532","2024-12-06","18:30:23",""
"7717135","13.2508","0.0012","13.8357","0.0013","14.0684","0.0014","104.455","0.003","99.916","0.004","111.885","0.003","2214.3","0.4","300","","300","","","","","","","","","9","P -1","-P 1","2","","","","- C43 H26 Br2 Cl2 F6 Fe N5 O6 S2 -","- C43 H26 Br2 Cl2 F6 Fe N5 O6 S2 -","- C86 H52 Br4 Cl4 F12 Fe2 N10 O12 S4 -","2","1","","Chen, Feng-Li; Liu, Xin-Li; Zhao, Yue; Li, Gang; Gao, Bo-Hong; Wang, Xin-Yi","Spin crossover Fe<sup>III</sup> complexes with a substituted Hqnal ligand: effects of anions and solvents.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17233","17243","10.1039/d4dt01954g","","","1.34139","GaKα","","0.0993","0.0528","","","0.1263","0.1502","","","","","","1.024","","","","has coordinates","296532","2024-12-06","18:30:23",""
"7717136","12.0862","0.0018","12.22","0.0017","13.5092","0.0019","107.475","0.005","90.727","0.006","102.509","0.006","1851.5","0.5","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C41 H25.19 Br2 F3 Fe N4 O5.6 S -","- C41 H25.21 Br2 F3 Fe N4 O5.605 S -","- C82 H50.42 Br4 F6 Fe2 N8 O11.21 S2 -","2","1","","Chen, Feng-Li; Liu, Xin-Li; Zhao, Yue; Li, Gang; Gao, Bo-Hong; Wang, Xin-Yi","Spin crossover Fe<sup>III</sup> complexes with a substituted Hqnal ligand: effects of anions and solvents.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17233","17243","10.1039/d4dt01954g","","","1.34139","GaKα","","0.0522","0.043","","","0.1135","0.1231","","","","","","1.085","","","","has coordinates,has disorder","296532","2024-12-06","18:30:23",""
"7717137","11.811","0.002","12.312","0.002","13.297","0.002","106.646","0.008","93.56","0.008","101.853","0.008","1797.9","0.5","90","","90","","","","","","","","","7","P -1","-P 1","2","","","","- C41 H28 Br2 Cl Fe N4 O7 -","- C41 H28 Br2 Cl Fe N4 O7 -","- C82 H56 Br4 Cl2 Fe2 N8 O14 -","2","1","","Chen, Feng-Li; Liu, Xin-Li; Zhao, Yue; Li, Gang; Gao, Bo-Hong; Wang, Xin-Yi","Spin crossover Fe<sup>III</sup> complexes with a substituted Hqnal ligand: effects of anions and solvents.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17233","17243","10.1039/d4dt01954g","","","1.34139","GaKα","","0.1543","0.105","","","0.2356","0.2632","","","","","","1.006","","","","has coordinates,has disorder","296532","2024-12-06","18:30:23",""
"7717138","13.346","0.003","13.72","0.003","13.909","0.003","104.951","0.006","101.543","0.007","112.366","0.006","2145","0.8","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C43 H26 Br2 Cl2 F6 Fe N5 O6 S2 -","- C43 H26 Br2 Cl2 F6 Fe N5 O6 S2 -","- C86 H52 Br4 Cl4 F12 Fe2 N10 O12 S4 -","2","1","","Chen, Feng-Li; Liu, Xin-Li; Zhao, Yue; Li, Gang; Gao, Bo-Hong; Wang, Xin-Yi","Spin crossover Fe<sup>III</sup> complexes with a substituted Hqnal ligand: effects of anions and solvents.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17233","17243","10.1039/d4dt01954g","","","1.34139","GaKα","","0.0394","0.0354","","","0.1042","0.1096","","","","","","1.101","","","","has coordinates","296532","2024-12-06","18:30:23",""
"7717139","12.0896","0.0018","13.4142","0.0019","13.4157","0.0018","71.329","0.005","73.875","0.005","83.853","0.005","1979.7","0.5","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H34 Br2 F3 Fe N4 O8 S -","- C43 H34 Br2 F3 Fe N4 O8 S -","- C86 H68 Br4 F6 Fe2 N8 O16 S2 -","2","1","","Chen, Feng-Li; Liu, Xin-Li; Zhao, Yue; Li, Gang; Gao, Bo-Hong; Wang, Xin-Yi","Spin crossover Fe<sup>III</sup> complexes with a substituted Hqnal ligand: effects of anions and solvents.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17233","17243","10.1039/d4dt01954g","","","1.34139","GaKα","","0.092","0.0631","","","0.1682","0.1915","","","","","","1.116","","","","has coordinates,has disorder","296532","2024-12-06","18:30:23",""
"7717140","11.794","0.008","13.661","0.008","13.806","0.007","72.55","0.03","73.62","0.03","85.64","0.03","2036","2","300","","300","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H34 Br2 F3 Fe N4 O8 S -","- C43 H34 Br2 F3 Fe N4 O8 S -","- C86 H68 Br4 F6 Fe2 N8 O16 S2 -","2","1","","Chen, Feng-Li; Liu, Xin-Li; Zhao, Yue; Li, Gang; Gao, Bo-Hong; Wang, Xin-Yi","Spin crossover Fe<sup>III</sup> complexes with a substituted Hqnal ligand: effects of anions and solvents.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17233","17243","10.1039/d4dt01954g","","","1.34139","GaKα","","0.0768","0.0531","","","0.1442","0.173","","","","","","1.095","","","","has coordinates,has disorder","296532","2024-12-06","18:30:23",""
"7717141","8.434","0.0003","12.1634","0.0004","17.4367","0.0005","90","","100.576","0.002","90","","1758.38","0.1","100","2","100","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C20 H12 Mn N2 O6 -","- C20 H14 Mn N2 O6 -","- C80 H56 Mn4 N8 O24 -","4","1","","Mondal, Udayan; Nag, Somrita; Pal, Rajeshwari; Banerjee, Priyabrata","Mixed-ligand based water-stable Mn(II)-MOF for quick, sensitive, and reusable IFE-PET-RET facilitated detection of formaldehyde and Cr(VI)-oxoanions in real-field samples like food and industrial water: experimental and theoretical insights.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17244","17262","10.1039/d4dt02707h","","x-ray","1.54178","CuKα","","0.0428","0.04","","","0.1138","0.1166","","","","","","0.964","","","","has coordinates","296536","2024-12-06","18:31:25",""
"7717142","12.211","0.0003","11.1972","0.0003","17.5444","0.0005","90","","103.866","0.003","90","","2328.92","0.11","100","0.2","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H37 Mg N3 -","- C24 H37 Mg N3 -","- C96 H148 Mg4 N12 -","4","1","","Mandal, Chhotan; Sarkar, Subham; Panda, Sourav; Mallick, Dibyendu; Mukherjee, Debabrata","Synthesis and reactivity of a heteroleptic magnesium hydride on a dearomatized picolyl-based NNN-chelator.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17343","17350","10.1039/d4dt02757d","","","1.54184","CuKα","","0.0739","0.0675","","","0.1857","0.1952","","","","","","1.043","","","","has coordinates","296530","2024-12-06","18:29:37",""
"7717143","11.2666","0.0002","21.164","0.0003","15.6557","0.0002","90","","106.939","0.002","90","","3571.09","0.1","100","0.2","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H46 I Mg N5 O -","- C29 H38 I Mg N5 -","- C116 H152 I4 Mg4 N20 -","4","1","","Mandal, Chhotan; Sarkar, Subham; Panda, Sourav; Mallick, Dibyendu; Mukherjee, Debabrata","Synthesis and reactivity of a heteroleptic magnesium hydride on a dearomatized picolyl-based NNN-chelator.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17343","17350","10.1039/d4dt02757d","","","1.54184","CuKα","","0.0582","0.0521","","","0.1424","0.1516","","","","","","1.039","","","","has coordinates","296530","2024-12-06","18:29:37",""
"7717144","8.9855","0.0002","13.0705","0.0002","13.5358","0.0002","111.931","0.002","91.736","0.001","100.183","0.002","1443.34","0.05","99.98","0.18","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C58.06 H77.94 Mg2 N6 O2.97 S4 -","- C58.06 H77.94 Mg2 N6 O2.97 S4 -","- C58.06 H77.94 Mg2 N6 O2.97 S4 -","1","0.5","","Mandal, Chhotan; Sarkar, Subham; Panda, Sourav; Mallick, Dibyendu; Mukherjee, Debabrata","Synthesis and reactivity of a heteroleptic magnesium hydride on a dearomatized picolyl-based NNN-chelator.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17343","17350","10.1039/d4dt02757d","","","1.54184","CuKα","","0.0487","0.0448","","","0.1216","0.125","","","","","","1.0696","","","","has coordinates,has disorder","296530","2024-12-06","18:29:37",""
"7717145","14.6445","0.0002","11.4598","0.0001","18.6091","0.0002","90","","111.524","0.001","90","","2905.25","0.06","106","8","106.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H42 Mg N4 -","- C31.5 H42 Mg N4 -","- C126 H168 Mg4 N16 -","4","1","","Mandal, Chhotan; Sarkar, Subham; Panda, Sourav; Mallick, Dibyendu; Mukherjee, Debabrata","Synthesis and reactivity of a heteroleptic magnesium hydride on a dearomatized picolyl-based NNN-chelator.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17343","17350","10.1039/d4dt02757d","","","1.54184","CuKα","","0.0492","0.0442","","","0.1187","0.1224","","","","","","1.044","","","","has coordinates,has disorder","296530","2024-12-06","18:29:37",""
"7717146","14.1364","0.0002","15.1179","0.0002","18.5001","0.0002","90","","90","","90","","3953.71","0.09","99.97","0.19","100.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C40 H58 Mg2 N6 -","- C40 H58 Mg2 N6 -","- C160 H232 Mg8 N24 -","4","0.5","","Mandal, Chhotan; Sarkar, Subham; Panda, Sourav; Mallick, Dibyendu; Mukherjee, Debabrata","Synthesis and reactivity of a heteroleptic magnesium hydride on a dearomatized picolyl-based NNN-chelator.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17343","17350","10.1039/d4dt02757d","","","1.54184","CuKα","","0.0383","0.0341","","","0.0812","0.0834","","","","","","1.0804","","","","has coordinates,has disorder","296530","2024-12-06","18:29:37",""
"7717147","43.8733","0.0016","8.4215","0.0003","17.8839","0.0006","90","","106.345","0.001","90","","6340.7","0.4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Eu F2 N7 O11 -","- C28 H24 Eu F2 N7 O11 -","- C224 H192 Eu8 F16 N56 O88 -","8","1","","Borisova, Nataliya E.; Kharcheva, Anastasia V.; Sumyanova, Tsagana B.; Gontcharenko, Victoria; Matveev, Pert I.; Starostin, Leonid; Trigub, Alexander; Ivanov, Alexey V.; Patsaeva, Svetlana V.","Bipyridyldicarboxamides and f-metals: the influence of electron effects on the structure, stability, separation, and photophysical properties of their complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","43","17673","17686","10.1039/d4dt02489c","","","0.71073","MoKα","","0.027","0.0214","","","0.046","0.0486","","","","","","1.04","","","","has coordinates,has disorder","296522","2024-12-06","18:26:48",""
"7717148","23.6077","0.0019","8.6548","0.0007","15.7258","0.0013","90","","97.558","0.002","90","","3185.2","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Eu F2 N7 O11 -","- C28 H24 Eu F2 N7 O11 -","- C112 H96 Eu4 F8 N28 O44 -","4","1","","Borisova, Nataliya E.; Kharcheva, Anastasia V.; Sumyanova, Tsagana B.; Gontcharenko, Victoria; Matveev, Pert I.; Starostin, Leonid; Trigub, Alexander; Ivanov, Alexey V.; Patsaeva, Svetlana V.","Bipyridyldicarboxamides and f-metals: the influence of electron effects on the structure, stability, separation, and photophysical properties of their complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","43","17673","17686","10.1039/d4dt02489c","","","0.71073","MoKα","","0.0763","0.0439","","","0.0839","0.0962","","","","","","1.013","","","","has coordinates","296522","2024-12-06","18:26:49",""
"7717149","23.577","0.004","8.626","0.0016","15.71","0.003","90","","97.645","0.006","90","","3166.6","1","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 F2 N7 O11 Sm -","- C28 H24 F2 N7 O11 Sm -","- C112 H96 F8 N28 O44 Sm4 -","4","1","","Borisova, Nataliya E.; Kharcheva, Anastasia V.; Sumyanova, Tsagana B.; Gontcharenko, Victoria; Matveev, Pert I.; Starostin, Leonid; Trigub, Alexander; Ivanov, Alexey V.; Patsaeva, Svetlana V.","Bipyridyldicarboxamides and f-metals: the influence of electron effects on the structure, stability, separation, and photophysical properties of their complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","43","17673","17686","10.1039/d4dt02489c","","","0.71073","MoKα","","0.063","0.0436","","","0.0899","0.0977","","","","","","0.993","","","","has coordinates","296522","2024-12-06","18:26:49",""
"7717150","43.8591","0.0016","8.426","0.0003","17.8675","0.0007","90","","106.296","0.0006","90","","6337.8","0.4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 F2 Gd N7 O11 -","- C28 H24 F2 Gd N7 O11 -","- C224 H192 F16 Gd8 N56 O88 -","8","1","","Borisova, Nataliya E.; Kharcheva, Anastasia V.; Sumyanova, Tsagana B.; Gontcharenko, Victoria; Matveev, Pert I.; Starostin, Leonid; Trigub, Alexander; Ivanov, Alexey V.; Patsaeva, Svetlana V.","Bipyridyldicarboxamides and f-metals: the influence of electron effects on the structure, stability, separation, and photophysical properties of their complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","43","17673","17686","10.1039/d4dt02489c","","","0.71073","MoKα","","0.0234","0.0196","","","0.043","0.0447","","","","","","1.058","","","","has coordinates,has disorder","296522","2024-12-06","18:26:49",""
"7717151","12.248","0.0011","10.8097","0.0012","27.309","0.002","90","","93.008","0.003","90","","3610.7","0.6","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 F2 La N8 O12 -","- C30 H29 F2 La N8 O12 -","- C120 H116 F8 La4 N32 O48 -","4","1","","Borisova, Nataliya E.; Kharcheva, Anastasia V.; Sumyanova, Tsagana B.; Gontcharenko, Victoria; Matveev, Pert I.; Starostin, Leonid; Trigub, Alexander; Ivanov, Alexey V.; Patsaeva, Svetlana V.","Bipyridyldicarboxamides and f-metals: the influence of electron effects on the structure, stability, separation, and photophysical properties of their complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","43","17673","17686","10.1039/d4dt02489c","","","0.71073","MoKα","","0.0513","0.0342","","","0.068","0.073","","","","","","1.029","","","","has coordinates","296522","2024-12-06","18:26:49",""
"7717152","18.0411","0.0002","25.9133","0.0003","7.6346","0.0001","90","","95.64","0.001","90","","3551.93","0.07","111.5","1","111.5","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C45 H40 N2 -","- C45 H40 N2 -","- C180 H160 N8 -","4","1","","Pradhan, Sourav Ranjan; Prasad, Chetan Kumar; Das, Mainak; Srinivasan, A.","De novo fabrication of higher arene ring incorporated contorted calix[2]phyrin(2.2.1.1.1) and its F− bound complex","Dalton Transactions","2024","53","36","15258","15263","10.1039/D4DT01903B","","x-ray","1.54184","CuKα","","0.0601","0.0544","","","0.1533","0.1575","","","","","","1.103","","","","has coordinates","295055","2024-10-04","18:19:55",""
"7717153","14.0491","0.0011","21.171","0.0012","18.6212","0.0016","90","","106.367","0.009","90","","5314.1","0.7","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C61 H78 F N3 O -","- C61 H78 F N3 O -","- C244 H312 F4 N12 O4 -","4","1","","Pradhan, Sourav Ranjan; Prasad, Chetan Kumar; Das, Mainak; Srinivasan, A.","De novo fabrication of higher arene ring incorporated contorted calix[2]phyrin(2.2.1.1.1) and its F− bound complex","Dalton Transactions","2024","53","36","15258","15263","10.1039/D4DT01903B","","x-ray","1.54184","CuKα","","0.1621","0.1199","","","0.2604","0.2854","","","","","","1.067","","","","has coordinates,has disorder","295055","2024-10-04","18:19:57",""
"7717154","8.0234","0.0003","8.2718","0.0003","19.6948","0.0007","94.526","0.003","97.708","0.003","103.731","0.003","1249.92","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C25 H39 N2 O4 P -","- C25 H39 N2 O4 P -","- C50 H78 N4 O8 P2 -","2","1","","Calder, Ethan D. E.; Male, Louise; Jupp, Andrew R.","Accessing five- and seven-membered phosphorus-based heterocycles <i>via</i> cycloaddition reactions of azophosphines.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15032","15039","10.1039/d4dt02248c","","x-ray","1.54184","CuKα","","0.0525","0.0416","","","0.0984","0.1051","","","","","","1.037","","","","has coordinates","295056","2024-10-04","18:22:23",""
"7717155","17.0832","0.0004","9.8167","0.0002","28.9289","0.0006","90","","96.91","0.002","90","","4816.16","0.18","99.96","0.14","99.96","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H35 N2 O4 P -","- C23 H35 N2 O4 P -","- C184 H280 N16 O32 P8 -","8","2","","Calder, Ethan D. E.; Male, Louise; Jupp, Andrew R.","Accessing five- and seven-membered phosphorus-based heterocycles <i>via</i> cycloaddition reactions of azophosphines.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15032","15039","10.1039/d4dt02248c","","x-ray","1.54184","CuKα","","0.0579","0.0393","","","0.099","0.11","","","","","","1.029","","","","has coordinates","295056","2024-10-04","18:22:27",""
"7717156","16.6739","0.0003","12.9998","0.0002","14.7844","0.0003","90","","95.755","0.002","90","","3188.48","0.1","99.96","0.13","99.96","0.13","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H45 N2 O8 P -","- C31 H45 N2 O8 P -","- C124 H180 N8 O32 P4 -","4","1","","Calder, Ethan D. E.; Male, Louise; Jupp, Andrew R.","Accessing five- and seven-membered phosphorus-based heterocycles <i>via</i> cycloaddition reactions of azophosphines.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15032","15039","10.1039/d4dt02248c","","x-ray","1.54184","CuKα","","0.0442","0.0356","","","0.0848","0.0909","","","","","","1.047","","","","has coordinates","295056","2024-10-04","18:22:28",""
"7717157","11.0797","0.0003","12.5123","0.0004","13.9655","0.0005","110.174","0.003","93.849","0.003","98.359","0.003","1783.6","0.11","99.98","0.13","99.98","0.13","","","","","","","","5","P -1","-P 1","2","","","","- C37 H53 N2 O8 P -","- C37 H53 N2 O8 P -","- C74 H106 N4 O16 P2 -","2","1","","Calder, Ethan D. E.; Male, Louise; Jupp, Andrew R.","Accessing five- and seven-membered phosphorus-based heterocycles <i>via</i> cycloaddition reactions of azophosphines.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15032","15039","10.1039/d4dt02248c","","x-ray","1.54184","CuKα","","0.048","0.0384","","","0.0915","0.0981","","","","","","1.027","","","","has coordinates","295056","2024-10-04","18:22:29",""
"7717158","8.7981","0.0003","38.1963","0.0013","9.2377","0.0004","90","","106.619","0.004","90","","2974.7","0.2","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H43 N2 O6 P -","- C29 H43 N2 O6 P -","- C116 H172 N8 O24 P4 -","4","1","","Calder, Ethan D. E.; Male, Louise; Jupp, Andrew R.","Accessing five- and seven-membered phosphorus-based heterocycles <i>via</i> cycloaddition reactions of azophosphines.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15032","15039","10.1039/d4dt02248c","","x-ray","1.54184","CuKα","","0.0558","0.0418","","","0.1012","0.1104","","","","","","1.034","","","","has coordinates","295056","2024-10-04","18:22:30",""
"7717159","12.6315","0.0001","23.1136","0.0002","31.6638","0.0003","90","","90","","90","","9244.55","0.14","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H74 N4 O4 P2 -","- C46 H74 N4 O4 P2 -","- C368 H592 N32 O32 P16 -","8","1","","Calder, Ethan D. E.; Male, Louise; Jupp, Andrew R.","Accessing five- and seven-membered phosphorus-based heterocycles <i>via</i> cycloaddition reactions of azophosphines.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15032","15039","10.1039/d4dt02248c","","x-ray","1.54184","CuKα","","0.0511","0.0433","","","0.1159","0.1213","","","","","","1.043","","","","has coordinates","295056","2024-10-04","18:22:30",""
"7717160","12.6836","0.0004","14.3392","0.0005","15.9046","0.0005","112.034","0.003","97.787","0.003","107.389","0.003","2456.51","0.17","119.99","0.1","119.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C49 H45 B F15 N2 O8 P -","- C49 H45 B F15 N2 O8 P -","- C98 H90 B2 F30 N4 O16 P2 -","2","1","","Calder, Ethan D. E.; Male, Louise; Jupp, Andrew R.","Accessing five- and seven-membered phosphorus-based heterocycles <i>via</i> cycloaddition reactions of azophosphines.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15032","15039","10.1039/d4dt02248c","","x-ray","1.54184","CuKα","","0.0457","0.0356","","","0.0886","0.0958","","","","","","1.018","","","","has coordinates","295056","2024-10-04","18:22:31",""
"7717161","45.26149","0.00017","14.39164","0.00005","18.01887","0.00008","90","","101.458","0.0004","90","","11503.3","0.08","100.15","","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H56 B F15 N2 O8 P -","- C54 H56 B F15 N2 O8 P -","- C432 H448 B8 F120 N16 O64 P8 -","8","2","","Calder, Ethan D. E.; Male, Louise; Jupp, Andrew R.","Accessing five- and seven-membered phosphorus-based heterocycles <i>via</i> cycloaddition reactions of azophosphines.","Dalton transactions (Cambridge, England : 2003)","2024","53","36","15032","15039","10.1039/d4dt02248c","","","0.6889","Synchrotron","","0.0729","0.0553","","","0.1449","0.1494","","","","","","0.908","","","","has coordinates,has disorder","295056","2024-10-04","18:22:31",""
"7717162","15.418","0.002","12.9986","0.0018","17.693","0.002","90","","99.066","0.003","90","","3501.6","0.8","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36.15 H30.3 Cl0.3 F4 Fe N4 O6 -","- C36.15 H30.3 Cl0.3 F4 Fe N4 O6 -","- C144.6 H121.2 Cl1.2 F16 Fe4 N16 O24 -","4","1","","Luo, Yu; Zhou, Ren-He; Shao, Zhen; Liu, Dan; Lu, Han-Han; Shang, Meng-Jia; Zhao, Liang; Liu, Tao; Meng, Yin-Shan","Effects of mono- or di-fluoro-substitution on spin crossover behavior in a pair of Schiff base-like Fe<sup>II</sup>-coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2024","53","35","14692","14700","10.1039/d4dt01103a","","","0.71073","MoKα","","0.0487","0.0399","","","0.095","0.0994","","","","","","1.046","","","","has coordinates,has disorder","295057","2024-10-04","18:26:21",""
"7717163","15.877","0.002","13.133","0.0016","17.844","0.002","90","","95.284","0.004","90","","3704.9","0.8","300","","300","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 F4 Fe N4 O6 -","- C36 H30 F4 Fe N4 O6 -","- C144 H120 F16 Fe4 N16 O24 -","4","1","","Luo, Yu; Zhou, Ren-He; Shao, Zhen; Liu, Dan; Lu, Han-Han; Shang, Meng-Jia; Zhao, Liang; Liu, Tao; Meng, Yin-Shan","Effects of mono- or di-fluoro-substitution on spin crossover behavior in a pair of Schiff base-like Fe<sup>II</sup>-coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2024","53","35","14692","14700","10.1039/d4dt01103a","","","0.71073","MoKα","","0.0849","0.0608","","","0.1752","0.1937","","","","","","1.043","","","","has coordinates,has disorder","295057","2024-10-04","18:26:22",""
"7717164","12.217","0.005","13.65","0.008","23.294","0.009","97.356","0.015","93.002","0.012","107.035","0.017","3667","3","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C72.25 H61.21 F6 Fe2 N8 O12.25 -","- C72.25 H61.207 F6 Fe2 N8 O12.25 -","- C144.5 H122.414 F12 Fe4 N16 O24.5 -","2","1","","Luo, Yu; Zhou, Ren-He; Shao, Zhen; Liu, Dan; Lu, Han-Han; Shang, Meng-Jia; Zhao, Liang; Liu, Tao; Meng, Yin-Shan","Effects of mono- or di-fluoro-substitution on spin crossover behavior in a pair of Schiff base-like Fe<sup>II</sup>-coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2024","53","35","14692","14700","10.1039/d4dt01103a","","","0.71073","MoKα","","0.1165","0.0715","","","0.1777","0.2052","","","","","","1.032","","","","has coordinates,has disorder","295057","2024-10-04","18:26:24",""
"7717165","11.5231","0.0004","19.0495","0.0006","21.0886","0.0007","89.198","0.001","89.561","0.001","83.944","0.001","4602.8","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- H81 N10 O92 Sb4 U2 W18 -","- H9 O76 Sb4 U2 W18 -","- H18 O152 Sb8 U4 W36 -","2","1","","Wei, Yuting; Du, Weixin; Wang, Haiying; Wang, Xiaoyue; Shen, Keqin; Xiong, Minghui; Zhang, Dongdi","A uranium-bridged dimeric Keggin-type polyoxometalate and its proton conductive properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","41","16826","16829","10.1039/d4dt02077d","","","0.71073","MoKα","","0.0379","0.0337","","","0.0863","0.0887","","","","","","1.0269","","","","has coordinates","296504","2024-12-06","18:19:06",""
"7717166","45.43","0.002","16.6225","0.0004","16.6156","0.0004","90","","111.481","0.002","90","","11675.9","0.7","200","2","200","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C44 H28 Co1.5 N6 O4 -","- C44 H28 Co1.5 N6 O4 -","- C176 H112 Co6 N24 O16 -","4","0.5","","Mander, Rachel Leigh; Schmidt, Ashley; Ruf, Michael; Korzyński, Maciej Damian","Design and synthesis of pillared metal-organic frameworks featuring olefinic fragments.","Dalton transactions (Cambridge, England : 2003)","2024","53","47","18873","18879","10.1039/d4dt02397h","","","1.54184","CuKα","","0.1869","0.129","","","0.2908","0.3217","","","","","","1.325","","","","has coordinates,has disorder","296570","2024-12-06","18:54:42",""
"7717167","16.599","0.005","16.699","0.005","23.014","0.008","87.875","0.014","77.058","0.012","89.941","0.009","6213","3","110","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H20 N3 O4.5 Zn1.5 -","- C34 H20 N3 O4.5 Zn1.5 -","- C68 H40 N6 O9 Zn3 -","2","1","","Mander, Rachel Leigh; Schmidt, Ashley; Ruf, Michael; Korzyński, Maciej Damian","Design and synthesis of pillared metal-organic frameworks featuring olefinic fragments.","Dalton transactions (Cambridge, England : 2003)","2024","53","47","18873","18879","10.1039/d4dt02397h","","","0.71073","MoKα","","0.2126","0.1324","","","0.4039","0.449","","","","","","1.335","","","","has coordinates,has disorder","296570","2024-12-06","18:54:44",""
"7717168","16.5257","0.0009","16.8102","0.001","22.3845","0.0018","102.024","0.005","91.839","0.005","89.923","0.004","6078.8","0.7","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 N2 O5 Zn1.5 -","- C24 H14 N2 O5 Zn1.5 -","- C48 H28 N4 O10 Zn3 -","2","1","","Mander, Rachel Leigh; Schmidt, Ashley; Ruf, Michael; Korzyński, Maciej Damian","Design and synthesis of pillared metal-organic frameworks featuring olefinic fragments.","Dalton transactions (Cambridge, England : 2003)","2024","53","47","18873","18879","10.1039/d4dt02397h","","","1.54184","CuKα","","0.1762","0.1259","","","0.305","0.3275","","","","","","1.594","","","","has coordinates","296570","2024-12-06","18:54:44",""
"7717169","16.609","0.001","16.657","0.001","22.4511","0.0019","79.613","0.005","83.867","0.005","89.992","0.004","6073.3","0.7","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H40 N6 Ni3 O8 -","- C68 H40 N6 Ni3 O8 -","- C136 H80 N12 Ni6 O16 -","2","1","","Mander, Rachel Leigh; Schmidt, Ashley; Ruf, Michael; Korzyński, Maciej Damian","Design and synthesis of pillared metal-organic frameworks featuring olefinic fragments.","Dalton transactions (Cambridge, England : 2003)","2024","53","47","18873","18879","10.1039/d4dt02397h","","","1.54178","CuKα","","0.2169","0.1859","","","0.4737","0.5012","","","","","","1.828","","","","has coordinates","296570","2024-12-06","18:54:44",""
"7717170","10.6862","0.0001","24.219","0.0003","24.0009","0.0003","90","","101.288","0.001","90","","6091.49","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C71 H70 Al N6 O4 -","- C71 H70 Al N6 O4 -","- C284 H280 Al4 N24 O16 -","4","1","","Koptseva, Tatyana S.; Skatova, Alexandra A.; Moskalev, Mikhail V.; Rumyantcev, Roman V.; Fedushkin, Igor L.","Hydro-coupling of isocyanates promoted by 1,2-bis(arylimino)acenaphthene aluminum hydrides.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17308","17312","10.1039/d4dt02597k","","","0.71073","MoKα","","0.0633","0.043","","","0.1011","0.1124","","","","","","1.029","","","","has coordinates,has disorder","296540","2024-12-06","18:33:48",""
"7717171","13.9292","0.001","35.073","0.003","18.3381","0.0013","90","","93.597","0.006","90","","8941.2","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C116 H102 Al N6 O6.5 -","- C116 H102 Al N6 O6.5 -","- C464 H408 Al4 N24 O26 -","4","1","","Koptseva, Tatyana S.; Skatova, Alexandra A.; Moskalev, Mikhail V.; Rumyantcev, Roman V.; Fedushkin, Igor L.","Hydro-coupling of isocyanates promoted by 1,2-bis(arylimino)acenaphthene aluminum hydrides.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17308","17312","10.1039/d4dt02597k","","","0.71073","MoKα","","0.1988","0.0812","","","0.1404","0.1851","","","","","","1.028","","","","has coordinates,has disorder","296540","2024-12-06","18:33:50",""
"7717172","15.5264","0.0005","32.4861","0.0009","20.556","0.0007","90","","92.086","0.003","90","","10361.4","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C127 H98 Al Cl8 N6 O4 -","- C127 H98 Al Cl8 N6 O4 -","- C508 H392 Al4 Cl32 N24 O16 -","4","0.5","","Koptseva, Tatyana S.; Skatova, Alexandra A.; Moskalev, Mikhail V.; Rumyantcev, Roman V.; Fedushkin, Igor L.","Hydro-coupling of isocyanates promoted by 1,2-bis(arylimino)acenaphthene aluminum hydrides.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17308","17312","10.1039/d4dt02597k","","","0.71073","MoKα","","0.1028","0.0539","","","0.1168","0.1391","","","","","","1.01","","","","has coordinates,has disorder","296540","2024-12-06","18:33:50",""
"7717173","19.8354","0.0004","10.1426","0.0002","44.3154","0.0008","90","","97.485","0.002","90","","8839.5","0.3","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C48 H65 Al N4 O2.5 -","- C48 H65 Al N4 O2.5 -","- C384 H520 Al8 N32 O20 -","8","1","","Koptseva, Tatyana S.; Skatova, Alexandra A.; Moskalev, Mikhail V.; Rumyantcev, Roman V.; Fedushkin, Igor L.","Hydro-coupling of isocyanates promoted by 1,2-bis(arylimino)acenaphthene aluminum hydrides.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17308","17312","10.1039/d4dt02597k","","","0.71073","MoKα","","0.1168","0.0598","","","0.124","0.1481","","","","","","1.012","","","","has coordinates,has disorder","296540","2024-12-06","18:33:50",""
"7717174","17.0207","0.0007","20.0834","0.0008","15.5972","0.0007","90","","90","","90","","5331.6","0.4","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C62 H86 Al N6 -","- C62 H86 Al N6 -","- C248 H344 Al4 N24 -","4","0.5","","Koptseva, Tatyana S.; Skatova, Alexandra A.; Moskalev, Mikhail V.; Rumyantcev, Roman V.; Fedushkin, Igor L.","Hydro-coupling of isocyanates promoted by 1,2-bis(arylimino)acenaphthene aluminum hydrides.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17308","17312","10.1039/d4dt02597k","","","0.71073","MoKα","","0.0921","0.0579","","","0.1388","0.1628","","","","","","1.021","","","","has coordinates,has disorder","296540","2024-12-06","18:33:50",""
"7717175","10.1372","0.0002","10.9091","0.0003","22.0327","0.0006","90.294","0.002","101.579","0.002","116.479","0.002","2124.09","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H60 Al N4 O2 -","- C46 H60 Al N4 O2 -","- C92 H120 Al2 N8 O4 -","2","1","","Koptseva, Tatyana S.; Skatova, Alexandra A.; Moskalev, Mikhail V.; Rumyantcev, Roman V.; Fedushkin, Igor L.","Hydro-coupling of isocyanates promoted by 1,2-bis(arylimino)acenaphthene aluminum hydrides.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17308","17312","10.1039/d4dt02597k","","","0.71073","MoKα","","0.128","0.0666","","","0.1319","0.1566","","","","","","1.037","","","","has coordinates,has disorder","296540","2024-12-06","18:33:50",""
"7717176","17.4461","0.0003","18.1446","0.0003","22.2454","0.0004","77.716","0.002","67.268","0.002","67.259","0.002","5973.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C138 H170 Al N6 O12 -","- C138 H170 Al N6 O12 -","- C276 H340 Al2 N12 O24 -","2","1","","Koptseva, Tatyana S.; Skatova, Alexandra A.; Moskalev, Mikhail V.; Rumyantcev, Roman V.; Fedushkin, Igor L.","Hydro-coupling of isocyanates promoted by 1,2-bis(arylimino)acenaphthene aluminum hydrides.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17308","17312","10.1039/d4dt02597k","","","0.71073","MoKα","","0.1488","0.0742","","","0.1772","0.2208","","","","","","1.028","","","","has coordinates,has disorder","296540","2024-12-06","18:33:50",""
"7717177","13.4157","0.0003","19.8661","0.0004","26.8279","0.0006","90","","103.845","0.002","90","","6942.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C91 H83.91 Al Cl0.09 N4 -","- C91 H83.907 Al Cl0.093 N4 -","- C364 H335.628 Al4 Cl0.372 N16 -","4","1","","Koptseva, Tatyana S.; Skatova, Alexandra A.; Moskalev, Mikhail V.; Rumyantcev, Roman V.; Fedushkin, Igor L.","Hydro-coupling of isocyanates promoted by 1,2-bis(arylimino)acenaphthene aluminum hydrides.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17308","17312","10.1039/d4dt02597k","","","0.71073","MoKα","","0.0814","0.0491","","","0.103","0.1165","","","","","","1.039","","","","has coordinates,has disorder","296540","2024-12-06","18:33:50",""
"7717178","12.8415","0.0002","13.0763","0.0002","35.5128","0.0006","94.674","0.002","91.642","0.002","118.087","0.002","5228.26","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C275 H244 Al2 N10 O4 -","- C275 H244 Al2 N10 O4 -","- C275 H244 Al2 N10 O4 -","1","0.5","","Koptseva, Tatyana S.; Skatova, Alexandra A.; Moskalev, Mikhail V.; Rumyantcev, Roman V.; Fedushkin, Igor L.","Hydro-coupling of isocyanates promoted by 1,2-bis(arylimino)acenaphthene aluminum hydrides.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17308","17312","10.1039/d4dt02597k","","","0.71073","MoKα","","0.1002","0.0629","","","0.1299","0.146","","","","","","1.1","","","","has coordinates,has disorder","296540","2024-12-06","18:33:50",""
"7717179","38.4141","0.0011","15.0917","0.0004","44.0156","0.0012","90","","116.023","0.003","90","","22930.3","1.2","100","0.1","100","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C44 H38 Cu N P2 S2 -","- C44 H38 Cu N P2 S2 -","- C1056 H912 Cu24 N24 P48 S48 -","24","3","","Huang, Siqiao; Xu, Xiang; Sarker, Jagodish C.; Pugh, David; Hogarth, Graeme","A chemically induced, room temperature, single source precursor to CuS (covellite) nanomaterials: synthesis and reactivity of [Cu(S<sub>2</sub>CNHBz)]<sub><i>n</i></sub>.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17140","17145","10.1039/d4dt02366h","","x-ray","0.71075","MoKα","","0.1047","0.0538","","","0.0983","0.1153","","","","","","0.992","","","","has coordinates","296542","2024-12-06","18:34:35",""
"7717180","10.8357","0.001","9.3683","0.0007","26.594","0.002","90","","90","","90","","2699.6","0.4","295.6","0.9","295.6","0.9","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H16 N2 S -","- C15 H16 N2 S -","- C120 H128 N16 S8 -","8","1","","Huang, Siqiao; Xu, Xiang; Sarker, Jagodish C.; Pugh, David; Hogarth, Graeme","A chemically induced, room temperature, single source precursor to CuS (covellite) nanomaterials: synthesis and reactivity of [Cu(S<sub>2</sub>CNHBz)]<sub><i>n</i></sub>.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17140","17145","10.1039/d4dt02366h","","x-ray","0.71073","MoKα","","0.0713","0.0545","","","0.1211","0.13","","","","","","1.115","","","","has coordinates","296542","2024-12-06","18:34:36",""
"7717181","11.9613","0.0004","16.1413","0.0005","18.9872","0.0006","95.408","0.003","93.201","0.003","92.636","0.003","3639","0.2","150.01","0.1","150.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C42 H36 Cu Fe N P2 S2 -","- C42 H36 Cu Fe N P2 S2 -","- C168 H144 Cu4 Fe4 N4 P8 S8 -","4","2","","Huang, Siqiao; Xu, Xiang; Sarker, Jagodish C.; Pugh, David; Hogarth, Graeme","A chemically induced, room temperature, single source precursor to CuS (covellite) nanomaterials: synthesis and reactivity of [Cu(S<sub>2</sub>CNHBz)]<sub><i>n</i></sub>.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17140","17145","10.1039/d4dt02366h","","x-ray","1.54184","CuKα","","0.0623","0.0463","","","0.1207","0.1292","","","","","","1.047","","","","has coordinates,has disorder","296542","2024-12-06","18:34:36",""
"7717182","7.0875","0.0001","10.3691","0.0002","12.6632","0.0003","92.948","0.001","93.662","0.001","103.612","0.001","900.52","0.03","150","","150","","","","","","","","","5","P -1","-P 1","2","","Block","","- C15 H16 N6 O7 Ru -","- C30 H32 N12 O14 Ru2 -","- C30 H32 N12 O14 Ru2 -","1","0.5","","Yakovlev, Ivan A.; Golubeva, Julia A.; Klyushova, Lyubov S.; Kostin, Gennadiy A.; Mikhailov, Artem A.","Photoinduced cytotoxic activity of a rare ruthenium nitrosyl phenanthroline complex showing NO generation in human cells.","Dalton transactions (Cambridge, England : 2003)","2024","53","43","17642","17653","10.1039/d4dt02653e","","","0.71073","MoKα","","0.0258","0.0219","","","0.047","0.0485","","","","","","1.059","","","","has coordinates","296525","2024-12-06","18:27:33",""
"7717183","10.6515","0.0008","7.296","0.0006","18.6158","0.0011","90","","90.038","0.003","90","","1446.7","0.18","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[RuNO(Phen)(NO2)2OH]","","- C12 H9 N5 O6 Ru -","- C12 H9 N5 O6 Ru -","- C48 H36 N20 O24 Ru4 -","4","1","","Yakovlev, Ivan A.; Golubeva, Julia A.; Klyushova, Lyubov S.; Kostin, Gennadiy A.; Mikhailov, Artem A.","Photoinduced cytotoxic activity of a rare ruthenium nitrosyl phenanthroline complex showing NO generation in human cells.","Dalton transactions (Cambridge, England : 2003)","2024","53","43","17642","17653","10.1039/d4dt02653e","","","0.71073","MoKα","","0.0829","0.0606","","","0.1215","0.1306","","","","","","1.152","","","","has coordinates","296525","2024-12-06","18:27:34",""
"7717184","8.0998","0.0003","10.7648","0.0004","12.9362","0.0005","99.922","0.002","92.378","0.002","110.1","0.002","1037.2","0.07","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H26 N2 S2 -","- C23 H26 N2 S2 -","- C46 H52 N4 S4 -","2","1","","Allen, Jamie; Saßmannshausen, Jörg; Singh, Kuldip; Kilpatrick, Alexander F. R.","Helical dinuclear 3d metal complexes with bis(bidentate) [S,N] ligands: synthesis, structural and computational studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","43","17608","17619","10.1039/d4dt02395a","","","1.54178","CuKα","","0.0654","0.0548","","","0.1441","0.1534","","","","","","1.044","","","","has coordinates","296517","2024-12-06","18:24:23",""
"7717185","13.9162","0.0005","19.8942","0.0007","22.5497","0.001","90","","100.993","0.001","90","","6128.4","0.4","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H70 N4 O S4 Zn2 -","- C46 H48 N4 S4 Zn2 -","- C184 H192 N16 S16 Zn8 -","4","0.5","","Allen, Jamie; Saßmannshausen, Jörg; Singh, Kuldip; Kilpatrick, Alexander F. R.","Helical dinuclear 3d metal complexes with bis(bidentate) [S,N] ligands: synthesis, structural and computational studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","43","17608","17619","10.1039/d4dt02395a","","","1.54178","CuKα","","0.0407","0.0377","","","0.1179","0.1222","","","","","","1.062","","","","has coordinates","296517","2024-12-06","18:24:23",""
"7717186","25.1503","0.0004","18.8912","0.0003","16.8354","0.0003","90","","123.62","0.001","90","","6660.8","0.2","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H48 Fe N2 S2 -","- C34 H48 Fe N2 S2 -","- C272 H384 Fe8 N16 S16 -","8","1","","Allen, Jamie; Saßmannshausen, Jörg; Singh, Kuldip; Kilpatrick, Alexander F. R.","Helical dinuclear 3d metal complexes with bis(bidentate) [S,N] ligands: synthesis, structural and computational studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","43","17608","17619","10.1039/d4dt02395a","","","1.54178","CuKα","","0.0452","0.0362","","","0.0884","0.0936","","","","","","1.036","","","","has coordinates","296517","2024-12-06","18:24:23",""
"7717187","9.9507","0.001","21.856","0.002","28.759","0.003","90","","90.715","0.004","90","","6254.1","1.1","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C67 H72 N4 S4 Zn2 -","- C46 H48 N4 S4 Zn2 -","- C184 H192 N16 S16 Zn8 -","4","0.5","","Allen, Jamie; Saßmannshausen, Jörg; Singh, Kuldip; Kilpatrick, Alexander F. R.","Helical dinuclear 3d metal complexes with bis(bidentate) [S,N] ligands: synthesis, structural and computational studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","43","17608","17619","10.1039/d4dt02395a","","","1.54178","CuKα","","0.106","0.1035","","","0.2384","0.2401","","","","","","1.042","","","","has coordinates","296517","2024-12-06","18:24:23",""
"7717188","21.6374","0.0005","9.3034","0.0002","17.5098","0.0004","90","","111.116","0.001","90","","3288.07","0.13","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 Co N2 S2 -","- C34 H48 Co N2 S2 -","- C136 H192 Co4 N8 S8 -","4","1","","Allen, Jamie; Saßmannshausen, Jörg; Singh, Kuldip; Kilpatrick, Alexander F. R.","Helical dinuclear 3d metal complexes with bis(bidentate) [S,N] ligands: synthesis, structural and computational studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","43","17608","17619","10.1039/d4dt02395a","","","1.54178","CuKα","","0.0692","0.0582","","","0.1477","0.1571","","","","","","1.055","","","","has coordinates","296517","2024-12-06","18:24:23",""
"7717189","9.9936","0.0006","21.818","0.0012","28.6124","0.0015","90","","91.482","0.003","90","","6236.6","0.6","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C67 H72 Co2 N4 S4 -","- C46 H48 Co2 N4 S4 -","- C184 H192 Co8 N16 S16 -","4","0.5","","Allen, Jamie; Saßmannshausen, Jörg; Singh, Kuldip; Kilpatrick, Alexander F. R.","Helical dinuclear 3d metal complexes with bis(bidentate) [S,N] ligands: synthesis, structural and computational studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","43","17608","17619","10.1039/d4dt02395a","","","1.54178","CuKα","","0.0755","0.0643","","","0.1556","0.163","","","","","","1.035","","","","has coordinates","296517","2024-12-06","18:24:23",""
"7717190","9.9942","0.0004","21.9148","0.0009","28.5389","0.0011","90","","91.974","0.003","90","","6246.9","0.4","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C67 H72 Fe2 N4 S4 -","- C46 H48 Fe2 N4 S4 -","- C184 H192 Fe8 N16 S16 -","4","0.5","","Allen, Jamie; Saßmannshausen, Jörg; Singh, Kuldip; Kilpatrick, Alexander F. R.","Helical dinuclear 3d metal complexes with bis(bidentate) [S,N] ligands: synthesis, structural and computational studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","43","17608","17619","10.1039/d4dt02395a","","","1.54178","CuKα","","0.0967","0.0637","","","0.1674","0.1838","","","","","","1.089","","","","has coordinates","296517","2024-12-06","18:24:23",""
"7717191","25.2518","0.0005","18.8208","0.0003","16.8718","0.0003","90","","123.917","0.001","90","","6654.1","0.2","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H48 N2 S2 Zn -","- C34 H48 N2 S2 Zn -","- C272 H384 N16 S16 Zn8 -","8","1","","Allen, Jamie; Saßmannshausen, Jörg; Singh, Kuldip; Kilpatrick, Alexander F. R.","Helical dinuclear 3d metal complexes with bis(bidentate) [S,N] ligands: synthesis, structural and computational studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","43","17608","17619","10.1039/d4dt02395a","","","1.54178","CuKα","","0.0437","0.0402","","","0.1071","0.1091","","","","","","1.022","","","","has coordinates","296517","2024-12-06","18:24:23",""
"7717192","10.3601","0.0009","11.2364","0.0011","12.0547","0.0012","71.233","0.002","79.299","0.003","74.139","0.003","1270.7","0.2","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H20 Cd Cl N2 O8 -","- C23 H20 Cd Cl N2 O8 -","- C46 H40 Cd2 Cl2 N4 O16 -","2","1","","Yu, Yang-Tao; Li, Shu-Hao; Li, Zhuo-Yu; Zeng, Jian-Ge; Liu, Chun-Jie; Li, Li","A novel viologen-based hybrid crystalline material for photochromic glass films, information storage and anti-counterfeiting.","Dalton transactions (Cambridge, England : 2003)","2024","53","43","17565","17570","10.1039/d4dt02513j","","","0.71073","MoKα","","0.0567","0.0495","","","0.1308","0.1351","","","","","","1.005","","","","has coordinates","296516","2024-12-06","18:23:48",""
"7717193","9.5753","0.0003","15.6143","0.0005","17.9126","0.0005","90","","90","","90","","2678.14","0.14","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 Cl3 N6 Pt Sb -","- C22 H32 Cl3 N6 Pt Sb -","- C88 H128 Cl12 N24 Pt4 Sb4 -","4","1","","Chlebík, Richard; Fekete, Csilla; Jambor, Roman; Růžička, Aleš; Benkő, Zoltán; Dostál, Libor","Antimony centre in three different roles: does donor strength or acceptor ability determine the bonding pattern?","Dalton transactions (Cambridge, England : 2003)","2024","53","43","17721","17726","10.1039/d4dt02787f","","","0.71073","MoKα","","0.0352","0.0284","","","0.049","0.0505","","","","","","0.897","","","","has coordinates","296519","2024-12-06","18:25:43",""
"7717194","9.5889","0.0004","15.5986","0.0006","17.8828","0.0007","90","","90","","90","","2674.79","0.18","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 Cl3 N6 Pd Sb -","- C22 H32 Cl3 N6 Pd Sb -","- C88 H128 Cl12 N24 Pd4 Sb4 -","4","1","","Chlebík, Richard; Fekete, Csilla; Jambor, Roman; Růžička, Aleš; Benkő, Zoltán; Dostál, Libor","Antimony centre in three different roles: does donor strength or acceptor ability determine the bonding pattern?","Dalton transactions (Cambridge, England : 2003)","2024","53","43","17721","17726","10.1039/d4dt02787f","","","0.71073","MoKα","","0.0233","0.0217","","","0.0421","0.0425","","","","","","1.083","","","","has coordinates","296519","2024-12-06","18:25:43",""
"7717195","8.0916","0.0003","18.6573","0.0008","10.0007","0.0004","90","","105.687","0.001","90","","1453.55","0.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 Cl2 N3 Sb -","- C11 H16 Cl2 N3 Sb -","- C44 H64 Cl8 N12 Sb4 -","4","1","","Chlebík, Richard; Fekete, Csilla; Jambor, Roman; Růžička, Aleš; Benkő, Zoltán; Dostál, Libor","Antimony centre in three different roles: does donor strength or acceptor ability determine the bonding pattern?","Dalton transactions (Cambridge, England : 2003)","2024","53","43","17721","17726","10.1039/d4dt02787f","","","0.71073","MoKα","","0.0153","0.015","","","0.0352","0.0354","","","","","","1.115","","","","has coordinates","296519","2024-12-06","18:25:43",""
"7717196","21.8886","0.0009","14.809","0.0007","10.7954","0.0005","90","","90.883","0.002","90","","3498.9","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H48 N9 Sb -","- C33 H48 N9 Sb -","- C132 H192 N36 Sb4 -","4","1","","Chlebík, Richard; Fekete, Csilla; Jambor, Roman; Růžička, Aleš; Benkő, Zoltán; Dostál, Libor","Antimony centre in three different roles: does donor strength or acceptor ability determine the bonding pattern?","Dalton transactions (Cambridge, England : 2003)","2024","53","43","17721","17726","10.1039/d4dt02787f","","","0.71073","MoKα","","0.0675","0.0423","","","0.0611","0.0667","","","","","","1.104","","","","has coordinates","296519","2024-12-06","18:25:43",""
"7717197","9.2439","0.0005","28.6416","0.0013","9.8442","0.0005","90","","103.269","0.002","90","","2536.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 Cl N6 Sb -","- C22 H32 Cl N6 Sb -","- C88 H128 Cl4 N24 Sb4 -","4","1","","Chlebík, Richard; Fekete, Csilla; Jambor, Roman; Růžička, Aleš; Benkő, Zoltán; Dostál, Libor","Antimony centre in three different roles: does donor strength or acceptor ability determine the bonding pattern?","Dalton transactions (Cambridge, England : 2003)","2024","53","43","17721","17726","10.1039/d4dt02787f","","","0.71073","MoKα","","0.0423","0.0339","","","0.0573","0.059","","","","","","1.197","","","","has coordinates","296519","2024-12-06","18:25:43",""
"7717198","10.7479","0.0004","17.5505","0.0007","25.6485","0.0011","90","","94.068","0.002","90","","4825.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H54 Cl8 N9 Pd Sb -","- C35 H52 Cl6 N9 Pd Sb -","- C140 H208 Cl24 N36 Pd4 Sb4 -","4","1","","Chlebík, Richard; Fekete, Csilla; Jambor, Roman; Růžička, Aleš; Benkő, Zoltán; Dostál, Libor","Antimony centre in three different roles: does donor strength or acceptor ability determine the bonding pattern?","Dalton transactions (Cambridge, England : 2003)","2024","53","43","17721","17726","10.1039/d4dt02787f","","","0.71073","MoKα","","0.05","0.0416","","","0.0865","0.0893","","","","","","1.166","","","","has coordinates","296519","2024-12-06","18:25:43",""
"7717199","10.752","0.0003","17.4818","0.0006","26.1085","0.001","90","","94.04","0.001","90","","4895.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H53 Cl9 N9 Pt Sb -","- C36 H53 Cl9 N9 Pt Sb -","- C144 H212 Cl36 N36 Pt4 Sb4 -","4","1","","Chlebík, Richard; Fekete, Csilla; Jambor, Roman; Růžička, Aleš; Benkő, Zoltán; Dostál, Libor","Antimony centre in three different roles: does donor strength or acceptor ability determine the bonding pattern?","Dalton transactions (Cambridge, England : 2003)","2024","53","43","17721","17726","10.1039/d4dt02787f","","","0.71073","MoKα","","0.0429","0.0376","","","0.0841","0.0866","","","","","","1.061","","","","has coordinates,has disorder","296519","2024-12-06","18:25:43",""
"7717200","8.4322","0.0006","6.1733","0.0004","10.2585","0.0007","90","","103.42","0.002","90","","519.42","0.06","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H6 N8 O6 -","- C6 H6 N8 O6 -","- C12 H12 N16 O12 -","2","1","","Pandey, Krishna; Das, Priyanka; Khatri, Meera; Kumar, Dheeraj","<i>N</i>-Methylene-C-linked nitropyrazoles and 1,2,4-triazol-3-one: thermally stable energetic materials with reduced sensitivity.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17179","17189","10.1039/d4dt02494j","","","0.71073","MoKα","","0.0266","0.0259","","","0.0638","0.0642","","","","","","1.069","","","","has coordinates","296533","2024-12-06","18:30:41",""
"7717201","7.2377","0.0004","7.5343","0.0004","38.309","0.002","90","","90","","90","","2089.03","0.19","108","2","108","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H7 N9 O5 -","- C6 H7 N9 O5 -","- C48 H56 N72 O40 -","8","1","","Pandey, Krishna; Das, Priyanka; Khatri, Meera; Kumar, Dheeraj","<i>N</i>-Methylene-C-linked nitropyrazoles and 1,2,4-triazol-3-one: thermally stable energetic materials with reduced sensitivity.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17179","17189","10.1039/d4dt02494j","","","0.71073","MoKα","","0.048","0.0352","","","0.0807","0.0874","","","","","","1.042","","","","has coordinates","296533","2024-12-06","18:30:42",""
"7717202","12.1822","0.0004","12.1822","0.0004","30.3583","0.0016","90","","90","","90","","4505.4","0.3","294","2","294","2","","","","","","","Synthesis","5","P 43 21 2","P 4nw 2abw","96","","","","- C46 H60 Co N5 O10 -","- C46 H60 Co N5 O10 -","- C184 H240 Co4 N20 O40 -","4","0.5","","Paik, Somnath; Ray, Manabendra","A single H-bond triggers the formation of a cleft around Et<sub>3</sub>NH<sup>+</sup> through bond rearrangement and rotations of arms in both Co(III) and Fe(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","43","17448","17451","10.1039/d4dt02515f","","x-ray","0.71073","MoKα","","0.0386","0.0326","","","0.0853","0.0925","","","","","","1.108","","","","has coordinates","296518","2024-12-06","18:24:58",""
"7717203","12.1909","0.0007","12.1909","0.0007","30.773","0.003","90","","90","","90","","4573.4","0.6","294","2","294","2","","","","","","","Synthesis","5","P 43 21 2","P 4nw 2abw","96","","","","- C46 H56 Fe N5 O10 -","- C46 H56 Fe N5 O10 -","- C184 H224 Fe4 N20 O40 -","4","0.5","","Paik, Somnath; Ray, Manabendra","A single H-bond triggers the formation of a cleft around Et<sub>3</sub>NH<sup>+</sup> through bond rearrangement and rotations of arms in both Co(III) and Fe(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","43","17448","17451","10.1039/d4dt02515f","","x-ray","0.71073","MoKα","","0.057","0.045","","","0.1176","0.1354","","","","","","1.148","","","","has coordinates","296518","2024-12-06","18:24:59",""
"7717204","37.955","0.011","9.606","0.003","13.538","0.004","90","","90","","90","","4936","3","294","2","294","2","","","","","","","synthesis","5","P 21 21 21","P 2ac 2ab","19","","","","- C47 H55 Co N6 O10 -","- C47 H55 Co N6 O10 -","- C188 H220 Co4 N24 O40 -","4","1","","Paik, Somnath; Ray, Manabendra","A single H-bond triggers the formation of a cleft around Et<sub>3</sub>NH<sup>+</sup> through bond rearrangement and rotations of arms in both Co(III) and Fe(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","43","17448","17451","10.1039/d4dt02515f","","x-ray","0.71073","MoKα","","0.1064","0.0541","","","0.1297","0.1693","","","","","","1.179","","","","has coordinates","296518","2024-12-06","18:24:59",""
"7717205","9.758","0.001","19.6919","0.0019","27.323","0.003","90","","93.402","0.003","90","","5241","0.9","293","2","293","2","","","","","","","Synthesis","6","P 1 21 1","P 2yb","4","","","","- C50 H65 Cl Fe N6 O12 -","- C50 H65 Cl Fe N6 O12 -","- C200 H260 Cl4 Fe4 N24 O48 -","4","2","","Paik, Somnath; Ray, Manabendra","A single H-bond triggers the formation of a cleft around Et<sub>3</sub>NH<sup>+</sup> through bond rearrangement and rotations of arms in both Co(III) and Fe(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","43","17448","17451","10.1039/d4dt02515f","","x-ray","0.71073","MoKα","","0.153","0.0904","","","0.135","0.1585","","","","","","1.176","","","","has coordinates","296518","2024-12-06","18:24:59",""
"7717206","19.498","0.004","17.355","0.003","33.032","0.006","90","","90","","90","","11178","4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C54 H48 Cu4 N14 O17 -","- C54 H44 Cu4 N14 O17 -","- C432 H352 Cu32 N112 O136 -","8","1","","Paliwal, Kumudini; Swain, Abinash; Mishra, Durga Prasad; Sudhadevi Antharjanam, P. K.; Kumar, Manjuri","A novel copper(II) complex with a salicylidene carbohydrazide ligand that promotes oxidative stress and apoptosis in triple negative breast cancer cells.","Dalton transactions (Cambridge, England : 2003)","2024","53","43","17702","17720","10.1039/d4dt01914h","","","0.71073","MoKα","","0.1696","0.123","","","0.2043","0.2259","","","","","","1.158","","","","has coordinates,has disorder","296515","2024-12-06","18:23:38",""
"7717207","14.323","0.0002","22.6945","0.0004","11.3723","0.0003","90","","104.744","0.0019","90","","3574.88","0.13","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H41 Cl Ir N3 Si -","- C38 H41 Cl Ir N3 Si -","- C152 H164 Cl4 Ir4 N12 Si4 -","4","1","","Hsu, Yu-Ting; Bhagani, Chandni; Aguilar, Juan A.; Fox, Mark A.; Yufit, Dmitry; Davidson, Ross J.; Beeby, Andrew","Dual phosphorescent emissions from conformers of iridium complex rotors.","Dalton transactions (Cambridge, England : 2003)","2024","53","43","17518","17524","10.1039/d4dt02321h","","x-ray","0.71073","MoKα","","0.0561","0.0335","","","0.0594","0.0653","","","","","","1.021","","","","has coordinates,has disorder","296526","2024-12-06","18:27:44",""
"7717208","17.2655","0.0003","11.9834","0.0002","16.9887","0.0003","90","","108.252","0.002","90","","3338.11","0.11","100","0.6","100","0.6","","","","","","","","8","P 1 c 1","P -2yc","7","Ni(II)N3O OPhtbu NPyH Benzoic acid_OTf","[NiII (N-(ethyl-N?Me2)(Py)(2-t-ButPhOH)(BenzoicAc)(OTf)]","","- C30 H37 Cl2 F3 N3 Ni O6 S -","- C30 H37 Cl2 F3 N3 Ni O6 S -","- C120 H148 Cl8 F12 N12 Ni4 O24 S4 -","4","2","","Kirsch, Kelsey E.; Little, Mary E.; Cundari, Thomas R.; El-Shaer, Emily; Barone, Georgia; Lynch, Vincent M.; Toledo, Santiago A.","Direct O<sub>2</sub> mediated oxidation of a Ni(II)N<sub>3</sub>O structural model complex for the active site of nickel acireductone dioxygenase (Ni-ARD): characterization, biomimetic reactivity, and enzymatic implications.","Dalton transactions (Cambridge, England : 2003)","2024","53","44","17852","17863","10.1039/d4dt02538e","","x-ray","1.54184","CuKα","","0.0533","0.052","","","0.146","0.1477","","","","","","1.05","","","","has coordinates,has disorder","296496","2024-12-06","18:13:06",""
"7717209","11.6158","0.00014","15.48907","0.00015","14.59532","0.00016","90","","106.816","0.0012","90","","2513.67","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H37 N3 Ni O3 -","- C26 H37 N3 Ni O3 -","- C104 H148 N12 Ni4 O12 -","4","1","","Kirsch, Kelsey E.; Little, Mary E.; Cundari, Thomas R.; El-Shaer, Emily; Barone, Georgia; Lynch, Vincent M.; Toledo, Santiago A.","Direct O<sub>2</sub> mediated oxidation of a Ni(II)N<sub>3</sub>O structural model complex for the active site of nickel acireductone dioxygenase (Ni-ARD): characterization, biomimetic reactivity, and enzymatic implications.","Dalton transactions (Cambridge, England : 2003)","2024","53","44","17852","17863","10.1039/d4dt02538e","","","1.54184","CuKα","","0.0345","0.0337","","","0.0894","0.09","","","","","","1.033","","","","has coordinates","296496","2024-12-06","18:13:06",""
"7717210","9.39775","0.00011","10.41762","0.0001","13.4371","0.00011","93.725","0.0008","110.047","0.001","99.7261","0.0009","1207.28","0.02","99.98","0.19","99.98","0.19","","","","","","","","7","P -1","-P 1","2","NiIIN3OOPhtbuPy","[NiII (N-(ethyl-N?Me2)(Py)(2-t-ButPhOH))(OTf)]","","- C22 H30 F3 N3 Ni O4 S -","- C22 H30 F3 N3 Ni O4 S -","- C44 H60 F6 N6 Ni2 O8 S2 -","2","1","","Kirsch, Kelsey E.; Little, Mary E.; Cundari, Thomas R.; El-Shaer, Emily; Barone, Georgia; Lynch, Vincent M.; Toledo, Santiago A.","Direct O<sub>2</sub> mediated oxidation of a Ni(II)N<sub>3</sub>O structural model complex for the active site of nickel acireductone dioxygenase (Ni-ARD): characterization, biomimetic reactivity, and enzymatic implications.","Dalton transactions (Cambridge, England : 2003)","2024","53","44","17852","17863","10.1039/d4dt02538e","","x-ray","1.54184","CuKα","","0.0327","0.0322","","","0.0861","0.0865","","","","","","1.046","","","","has coordinates,has disorder","296496","2024-12-06","18:13:06",""
"7717211","8.515","0.0006","17.8418","0.0012","19.7536","0.0014","90","","96.895","0.002","90","","2979.3","0.4","273.15","","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Co1","","- C27 H34 Co N9 O8.5 -","- C27 H34 Co N9 O8.5 -","- C108 H136 Co4 N36 O34 -","4","1","","Chowdhury, Rhitwika; Bhat, Irshad Ahmad; Sachan, Sharad Kumar; Anantharaman, Ganapathi","Not so inert <i>mer</i>-tris-chelate cobalt(III) complex of a hydroxy-pyridine functionalized NHC ligand for cyclic carbonate synthesis.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17157","17161","10.1039/d4dt02767a","","","0.71073","MoKα","","0.1351","0.0718","","","0.1377","0.1592","","","","","","1.028","","","","has coordinates,has disorder","296541","2024-12-06","18:34:09",""
"7717212","11.422","0.005","11.621","0.005","12.693","0.005","86.546","0.005","72.856","0.005","68.309","0.005","1493.7","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H68 Fe6 N4 O26 -","- C48 H54 Fe6 N4 O26 -","- C48 H54 Fe6 N4 O26 -","1","0.5","","Shen, Zhi-Kai; Li, Kang; Li, Zi-Jian; Yuan, Yong-Jun; Guan, Jie; Zou, Zhigang; Yu, Zhen-Tao","Mechanistic insights into multimetal synergistic and electronic effects in a hexanuclear iron catalyst with a [Fe<sub>3</sub>(μ<sub>3</sub>-O)(μ<sub>2</sub>-OH)]<sub>2</sub> core for enhanced water oxidation.","Dalton transactions (Cambridge, England : 2003)","2024","53","43","17536","17546","10.1039/d4dt02749c","","","0.71069","MoKα","","0.1646","0.0802","","","0.1582","0.2268","","","","","","1.045","","","","has coordinates","296521","2024-12-06","18:26:09",""
"7717213","13.0059","0.0007","7.2872","0.0004","16.3747","0.0009","90","","108.259","0.006","90","","1473.8","0.15","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 B N O3 -","- C14 H20 B N O3 -","- C56 H80 B4 N4 O12 -","4","1","","Mukhopadhyay, Sayantan; Sahoo, Rajata Kumar; Patro, A. Ganesh; Khuntia, Anwesh Prasad; Nembenna, Sharanappa","Low-valent germanium and tin hydrides as catalysts for hydroboration, hydrodeoxygenation (HDO), and hydrodesulfurization (HDS) of heterocumulenes.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18207","18216","10.1039/d3dt04080a","","x-ray","0.71073","MoKα","","0.0705","0.067","","","0.1838","0.1887","","","","","","1.0404","","","","has coordinates","296605","2024-12-06","19:11:02",""
"7717214","13.2518","0.0003","13.636","0.0003","21.3029","0.0004","77.125","0.001","76.366","0.001","85.93","0.001","3646.25","0.14","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H58 B Cl2 F24 N9 Zn2 -","- C65 H58 B Cl2 F24 N9 Zn2 -","- C130 H116 B2 Cl4 F48 N18 Zn4 -","2","1","","Naik, Pratyush K.; Gu, Zipeng; Comito, Robert J.","An aniline-bridged <i>bis</i>(pyrazolyl)alkane ligand for dizinc-catalysed ring-opening polymerization.","Dalton transactions (Cambridge, England : 2003)","2024","53","43","17443","17447","10.1039/d4dt02837f","","","1.54178","CuKα","","0.0388","0.0371","","","0.097","0.0984","","","","","","1.027","","","","has coordinates,has disorder","296524","2024-12-06","18:27:22",""
"7717215","26.331","0.0012","26.331","0.0012","27.573","0.004","90","","90","","90","","19117","3","273.15","","273.15","","","","","","","","","9","I 4/m c m","-I 4 2c","140","","","","- C48 H199 Cu8 K2 N32 Nb24 O109.5 Si2 V8.5 -","- C48 H136 Cu8 K2 N32 Nb24 O109.5 Si2 V8.5 -","- C192 H544 Cu32 K8 N128 Nb96 O438 Si8 V34 -","4","0.125","","Duan, Zhi-Cheng; Li, Guanghua; Li, Ke-Chang; Cui, Xiao-Bing","Three organic-inorganic polyoxoniobate-based compounds modified with Cu(II) amine complexes: synthesis, characterization, and catalytic studies for oxidation of styrene.","Dalton transactions (Cambridge, England : 2003)","2024","53","44","17880","17892","10.1039/d4dt02544j","","","1.54178","CuKα","","0.0812","0.0622","","","0.1753","0.1894","","","","","","1.091","","","","has coordinates","296502","2024-12-06","18:15:43",""
"7717216","26.3917","0.0006","26.3917","0.0006","27.4474","0.0012","90","","90","","90","","19117.7","1","299","","299","","","","","","","","","9","I 4/m c m","-I 4 2c","140","","","","- C48 H214 Cu8 K2 N32 Nb24 O109 P2 V4 -","- C48 H136 Cu8 K2 N32 Nb24 O109 P2 V4 -","- C192 H544 Cu32 K8 N128 Nb96 O436 P8 V16 -","4","0.125","","Duan, Zhi-Cheng; Li, Guanghua; Li, Ke-Chang; Cui, Xiao-Bing","Three organic-inorganic polyoxoniobate-based compounds modified with Cu(II) amine complexes: synthesis, characterization, and catalytic studies for oxidation of styrene.","Dalton transactions (Cambridge, England : 2003)","2024","53","44","17880","17892","10.1039/d4dt02544j","","","0.71073","MoKα","","0.0821","0.0642","","","0.1778","0.2061","","","","","","1.114","","","","has coordinates,has disorder","296502","2024-12-06","18:15:43",""
"7717217","26.3856","0.0007","26.3856","0.0007","27.5212","0.0019","90","","90","","90","","19160.3","1.5","299","","299","","","","","","","","","8","I 4/m c m","-I 4 2c","140","","","","- C48 H214 Cu8 K2 N32 Nb24 O109 V6 -","- C48 H124 Cu8 K2 N32 Nb24 O109 V6 -","- C192 H496 Cu32 K8 N128 Nb96 O436 V24 -","4","0.125","","Duan, Zhi-Cheng; Li, Guanghua; Li, Ke-Chang; Cui, Xiao-Bing","Three organic-inorganic polyoxoniobate-based compounds modified with Cu(II) amine complexes: synthesis, characterization, and catalytic studies for oxidation of styrene.","Dalton transactions (Cambridge, England : 2003)","2024","53","44","17880","17892","10.1039/d4dt02544j","","","0.71073","MoKα","","0.1367","0.1007","","","0.2867","0.3811","","","","","","1.637","","","","has coordinates","296502","2024-12-06","18:15:43",""
"7717218","16.122","0.018","19.45","0.02","11.037","0.012","90","","109.994","0.011","90","","3252","6","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H60 Co6 N4 O31 -","- C35 H34 Co6 O24 -","- C70 H68 Co12 O48 -","2","0.5","","Xue, Chaozhuang; Zhang, Yingying; Zhu, Kai; Deng, Suyun; Qu, Konggang; Gong, Shuwen; Yang, Huajun","One ligand, two roles: novel pillar-layered metal-organic frameworks built with a 3D ligand and asymmetric inorganic nodes.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17146","17150","10.1039/d4dt02061h","","","0.71073","MoKα","","0.1311","0.0834","","","0.2082","0.2335","","","","","","1.0148","","","","has coordinates,has disorder","296538","2024-12-06","18:32:16",""
"7717219","17.303","0.015","39.32","0.03","16.698","0.015","90","","90","","90","","11361","17","296","2","296.15","","","","","","","","","5","F m m m","-F 2 2","69","","","","- C36.5 H59 Co4 N6 O25 -","- C23.125 H23.5 Co4 O15 -","- C185 H188 Co32 O120 -","8","0.25","","Xue, Chaozhuang; Zhang, Yingying; Zhu, Kai; Deng, Suyun; Qu, Konggang; Gong, Shuwen; Yang, Huajun","One ligand, two roles: novel pillar-layered metal-organic frameworks built with a 3D ligand and asymmetric inorganic nodes.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17146","17150","10.1039/d4dt02061h","","","0.71073","MoKα","","0.0888","0.0754","","","0.2182","0.2283","","","","","","1.0455","","","","has coordinates,has disorder","296538","2024-12-06","18:32:17",""
"7717220","16.589","0.0017","17.1075","0.0018","22.616","0.002","90.45","0.004","106.263","0.004","95.652","0.004","6127.3","1.1","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C95 H186 Mn Mo6 N6 O31.5 S3.5 -","- C92 H177 Mn Mo6 N6 O30 S2 -","- C184 H354 Mn2 Mo12 N12 O60 S4 -","2","1","","Yu, Xiang; Xu, Xinyu; Gao, Lei; Luo, Rengan; Liu, Yi-Fan; Gu, Yu-Hao; Yuan, Shuai","Imine bond-directed assembly of polyoxometalate-based metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2024","53","44","17902","17908","10.1039/d4dt02609h","","","1.34139","GaKα","","0.0883","0.0833","","","0.2149","0.2173","","","","","","1.071","","","","has coordinates,has disorder","296498","2024-12-06","18:13:59",""
"7717221","45.266","0.018","45.266","0.018","18.25","0.007","90","","90","","120","","32385","2","173","","173","","","","","","","","","7","R -3 m :H","-R 3 2""","166","","","","- C36 H33 Fe2 Mn1.5 Mo9 N3 O43 -","- C34.5 H33 Fe1.9999 Mn1.5 Mo9 N3 O42.9999 -","- C207 H198 Fe11.9994 Mn9 Mo54 N18 O257.999 -","6","0.166667","","Yu, Xiang; Xu, Xinyu; Gao, Lei; Luo, Rengan; Liu, Yi-Fan; Gu, Yu-Hao; Yuan, Shuai","Imine bond-directed assembly of polyoxometalate-based metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2024","53","44","17902","17908","10.1039/d4dt02609h","","x-ray","0.71073","MoKα","","0.1849","0.0903","","","0.2849","0.3151","","","","","","0.818","","","","has coordinates,has disorder","296498","2024-12-06","18:14:00",""
"7717222","45.047","0.002","45.047","","18.7659","0.001","90","","90","","120","","32979","2","193","","193","","","","","","","","","7","R -3 m :H","-R 3 2""","166","","","","- C36 H33 Mn1.5 Mo9 N3 O43 Zn2 -","- C34.5 H33 Mn1.5 Mo9 N3 O42.9999 Zn1.9999 -","- C207 H198 Mn9 Mo54 N18 O257.999 Zn11.9994 -","6","0.166667","","Yu, Xiang; Xu, Xinyu; Gao, Lei; Luo, Rengan; Liu, Yi-Fan; Gu, Yu-Hao; Yuan, Shuai","Imine bond-directed assembly of polyoxometalate-based metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2024","53","44","17902","17908","10.1039/d4dt02609h","","x-ray","0.71073","MoKα","","0.1454","0.0894","","","0.2815","0.3582","","","","","","1.02","","","","has coordinates,has disorder","296498","2024-12-06","18:14:00",""
"7717223","18.5098","0.0016","44.611","0.003","26.993","0.002","90","","102.893","0.004","90","","21727","3","153","","153","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C145 H129 Co8 Mn6 Mo36 N12 O180 -","- C145 H129 Co8 Mn6 Mo36 N12 O180 -","- C145 H129 Co8 Mn6 Mo36 N12 O180 -","1","0.25","","Yu, Xiang; Xu, Xinyu; Gao, Lei; Luo, Rengan; Liu, Yi-Fan; Gu, Yu-Hao; Yuan, Shuai","Imine bond-directed assembly of polyoxometalate-based metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2024","53","44","17902","17908","10.1039/d4dt02609h","","x-ray","1.34138","GaKα","","0.1491","0.0784","","","0.2495","0.2988","","","","","","0.902","","","","has coordinates,has disorder","296498","2024-12-06","18:14:00",""
"7717224","15.8119","0.0005","17.8148","0.0005","28.1724","0.0009","90","","90","","90","","7935.8","0.4","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(1,3-bis(2,6-di-iso-propylphenyl)imidazol-2-ylidene) (3,3â\/E?-dimethyl-2,2â\/E?-dipyridylamine) silver hexafluorophosphate","","- C39 H49 Ag F6 N5 P -","- C39 H49 Ag F6 N5 P -","- C312 H392 Ag8 F48 N40 P8 -","8","1","","Giobbio, Ginevra; Greffier, Lucie; Lipinski, Sophia; Montrieul, Anaïs; Lohier, Jean-François; Linares, Mathieu; Costa, Rubén D; Gaillard, Sylvain","Trigonal NHC bis-pyridyl silver(I) complexes: a beacon of light in the darkness of light-emitting electrochemical cells?","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18607","18615","10.1039/d4dt02473g","","","0.71073","MoKα","","0.0481","0.0315","","","0.0656","0.0725","","","","","","1.019","","","","has coordinates","296557","2024-12-06","18:47:28",""
"7717225","9.799","0.002","10.499","0.002","14.933","0.003","69.922","0.004","76.226","0.005","72.531","0.004","1360.7","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H15 F6 N3 O4 -","- C8 H15 F6 N3 O4 -","- C32 H60 F24 N12 O16 -","4","2","","Burlakova, Maria; Blinnikova, Daria; Volkonovskiy, Gleb; Chai, Haoyang; Grebenyuk, Dimitry; Tsymbarenko, Dmitry","The first example of polymeric lanthanide <i>tetrakis</i>-trifluoroacetates in chemical solution deposition of up-converting NaGdF<sub>4</sub>:Yb,Er,Nd thin films.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18183","18192","10.1039/d4dt01114g","","","0.71073","MoKα","","0.1267","0.0599","","","0.1297","0.1664","","","","","","1.011","","","","has coordinates","296604","2024-12-06","19:10:45",""
"7717226","18.294","0.007","12.58","0.005","24.686","0.01","90","","101.007","0.007","90","","5577","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H34 F9 Gd N6 O7 -","- C14 H26 F9 Gd N6 O6 -","- C112 H208 F72 Gd8 N48 O48 -","8","1","","Burlakova, Maria; Blinnikova, Daria; Volkonovskiy, Gleb; Chai, Haoyang; Grebenyuk, Dimitry; Tsymbarenko, Dmitry","The first example of polymeric lanthanide <i>tetrakis</i>-trifluoroacetates in chemical solution deposition of up-converting NaGdF<sub>4</sub>:Yb,Er,Nd thin films.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18183","18192","10.1039/d4dt01114g","","","0.71073","MoKα","","0.1081","0.1027","","","0.2873","0.2919","","","","","","1.131","","","","has coordinates,has disorder","296604","2024-12-06","19:10:47",""
"7717227","9.539","0.0007","28.4276","0.0019","8.5495","0.0006","90","","90.018","0.002","90","","2318.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H26 F9 N6 O6 Yb -","- C14 H26 F9 N6 O6 Yb -","- C56 H104 F36 N24 O24 Yb4 -","4","1","","Burlakova, Maria; Blinnikova, Daria; Volkonovskiy, Gleb; Chai, Haoyang; Grebenyuk, Dimitry; Tsymbarenko, Dmitry","The first example of polymeric lanthanide <i>tetrakis</i>-trifluoroacetates in chemical solution deposition of up-converting NaGdF<sub>4</sub>:Yb,Er,Nd thin films.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18183","18192","10.1039/d4dt01114g","","","0.71073","MoKα","","0.0612","0.057","","","0.1163","0.1176","","","","","","1.272","","","","has coordinates","296604","2024-12-06","19:10:47",""
"7717228","12.4741","0.0013","12.8468","0.0012","9.7054","0.0009","90","","100.3","0.004","90","","1530.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 F9 La N O7 -","- C8 H5 F9 La N O7 -","- C32 H20 F36 La4 N4 O28 -","4","1","","Burlakova, Maria; Blinnikova, Daria; Volkonovskiy, Gleb; Chai, Haoyang; Grebenyuk, Dimitry; Tsymbarenko, Dmitry","The first example of polymeric lanthanide <i>tetrakis</i>-trifluoroacetates in chemical solution deposition of up-converting NaGdF<sub>4</sub>:Yb,Er,Nd thin films.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18183","18192","10.1039/d4dt01114g","","","0.71073","MoKα","","0.0349","0.0281","","","0.0636","0.0674","","","","","","1.007","","","","has coordinates","296604","2024-12-06","19:10:47",""
"7717229","8.633","0.003","23.337","0.016","35.961","0.019","90","","90","","90","","7245","7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H15 F24 N3 O16 Pr2 -","- C20 H15 F24 N3 O16 Pr2 -","- C160 H120 F192 N24 O128 Pr16 -","8","1","","Burlakova, Maria; Blinnikova, Daria; Volkonovskiy, Gleb; Chai, Haoyang; Grebenyuk, Dimitry; Tsymbarenko, Dmitry","The first example of polymeric lanthanide <i>tetrakis</i>-trifluoroacetates in chemical solution deposition of up-converting NaGdF<sub>4</sub>:Yb,Er,Nd thin films.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18183","18192","10.1039/d4dt01114g","","","0.71073","MoKα","","0.2241","0.0806","","","0.1709","0.2624","","","","","","0.919","","","","has coordinates","296604","2024-12-06","19:10:47",""
"7717230","8.6514","0.0016","23.45","0.005","35.88","0.006","90","","90","","90","","7279","2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H15 F24 N3 Nd2 O16 -","- C20 H15 F24 N3 Nd2 O16 -","- C160 H120 F192 N24 Nd16 O128 -","8","1","","Burlakova, Maria; Blinnikova, Daria; Volkonovskiy, Gleb; Chai, Haoyang; Grebenyuk, Dimitry; Tsymbarenko, Dmitry","The first example of polymeric lanthanide <i>tetrakis</i>-trifluoroacetates in chemical solution deposition of up-converting NaGdF<sub>4</sub>:Yb,Er,Nd thin films.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18183","18192","10.1039/d4dt01114g","","","0.71073","MoKα","","0.0925","0.0507","","","0.122","0.1471","","","","","","0.932","","","","has coordinates","296604","2024-12-06","19:10:47",""
"7717231","8.783","0.003","23.995","0.008","21.91","0.007","90","","91.324","0.012","90","","4616","3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H49 F48 La4 N11 O34 -","- C50 H49 F48 La4 N11 O34 -","- C100 H98 F96 La8 N22 O68 -","2","1","","Burlakova, Maria; Blinnikova, Daria; Volkonovskiy, Gleb; Chai, Haoyang; Grebenyuk, Dimitry; Tsymbarenko, Dmitry","The first example of polymeric lanthanide <i>tetrakis</i>-trifluoroacetates in chemical solution deposition of up-converting NaGdF<sub>4</sub>:Yb,Er,Nd thin films.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18183","18192","10.1039/d4dt01114g","","","0.71073","MoKα","","0.1579","0.076","","","0.1451","0.1839","","","","","","0.994","","","","has coordinates","296604","2024-12-06","19:10:47",""
"7717232","18.4963","0.0002","6.1795","0.0001","20.5648","0.0003","90","","107.98","0.001","90","","2235.72","0.06","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H57 Cl3 N6 P2 -","- C45 H57 Cl3 N6 P2 -","- C90 H114 Cl6 N12 P4 -","2","1","","Wu, Jingyun; Stevens, Michael A.; Gardiner, Michael G.; Colebatch, Annie L.","Ruthenium, copper and ruthenium-copper complexes of an unsymmetrical phosphino pyridyl 1,8-naphthyridine PNNN ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","44","18037","18046","10.1039/d4dt02755h","","x-ray","1.54184","CuKα","","0.0389","0.0358","","","0.0913","0.0934","","","","","","1.052","","","","has coordinates","296493","2024-12-06","18:12:24",""
"7717233","32.5802","0.0003","32.5802","0.0003","12.641","0.0003","90","","90","","90","","13418","0.4","150","0.1","150","0.1","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H43 Cl2 N3 P Ru -","- C32 H43 Cl2 N3 P Ru -","- C512 H688 Cl32 N48 P16 Ru16 -","16","1","","Wu, Jingyun; Stevens, Michael A.; Gardiner, Michael G.; Colebatch, Annie L.","Ruthenium, copper and ruthenium-copper complexes of an unsymmetrical phosphino pyridyl 1,8-naphthyridine PNNN ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","44","18037","18046","10.1039/d4dt02755h","","x-ray","1.54184","CuKα","","0.0584","0.0457","","","0.1167","0.1241","","","","","","1.055","","","","has coordinates","296493","2024-12-06","18:12:24",""
"7717234","9.7176","0.0003","13.0045","0.0005","13.0393","0.0004","64.567","0.003","68.136","0.003","75.453","0.003","1372.87","0.09","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C23 H30 Cl4 Cu2 N3 P -","- C23 H30 Cl4 Cu2 N3 P -","- C46 H60 Cl8 Cu4 N6 P2 -","2","1","","Wu, Jingyun; Stevens, Michael A.; Gardiner, Michael G.; Colebatch, Annie L.","Ruthenium, copper and ruthenium-copper complexes of an unsymmetrical phosphino pyridyl 1,8-naphthyridine PNNN ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","44","18037","18046","10.1039/d4dt02755h","","x-ray","1.54184","CuKα","","0.0579","0.0476","","","0.119","0.1241","","","","","","1.086","","","","has coordinates","296493","2024-12-06","18:12:24",""
"7717235","11.0189","0.0002","12.5547","0.0002","14.1481","0.0003","87.736","0.002","83.713","0.002","77.647","0.002","1900.16","0.06","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C36 H48 Cl3 Cu N5 P Ru -","- C36 H48 Cl3 Cu N5 P Ru -","- C72 H96 Cl6 Cu2 N10 P2 Ru2 -","2","1","","Wu, Jingyun; Stevens, Michael A.; Gardiner, Michael G.; Colebatch, Annie L.","Ruthenium, copper and ruthenium-copper complexes of an unsymmetrical phosphino pyridyl 1,8-naphthyridine PNNN ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","44","18037","18046","10.1039/d4dt02755h","","x-ray","1.54184","CuKα","","0.0287","0.0278","","","0.0692","0.0698","","","","","","1.057","","","","has coordinates","296493","2024-12-06","18:12:24",""
"7717236","8.2661","0.0003","11.0365","0.0003","15.4542","0.0004","96.178","0.002","98.598","0.002","108.172","0.003","1306.52","0.07","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H36 Cu2 N3 O P -","- C26 H36 Cu2 N3 O P -","- C52 H72 Cu4 N6 O2 P2 -","2","1","","Wu, Jingyun; Stevens, Michael A.; Gardiner, Michael G.; Colebatch, Annie L.","Ruthenium, copper and ruthenium-copper complexes of an unsymmetrical phosphino pyridyl 1,8-naphthyridine PNNN ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","44","18037","18046","10.1039/d4dt02755h","","x-ray","1.54184","CuKα","","0.0381","0.0341","","","0.0897","0.0937","","","","","","1.034","","","","has coordinates","296493","2024-12-06","18:12:24",""
"7717237","8.3879","0.0003","16.316","0.0006","16.3624","0.0005","113.508","0.003","100.048","0.003","96.419","0.003","1980.74","0.13","150","0.1","150","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C68 H90 Cl4.69 Cu2.35 F9.93 N8 P3.66 Ru2 -","- C68 H90 Cl4.69 Cu2.345 F9.93 N8 P3.655 Ru2 -","- C68 H90 Cl4.69 Cu2.345 F9.93 N8 P3.655 Ru2 -","1","0.5","","Wu, Jingyun; Stevens, Michael A.; Gardiner, Michael G.; Colebatch, Annie L.","Ruthenium, copper and ruthenium-copper complexes of an unsymmetrical phosphino pyridyl 1,8-naphthyridine PNNN ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","44","18037","18046","10.1039/d4dt02755h","","x-ray","1.54184","CuKα","","0.0585","0.047","","","0.1226","0.1318","","","","","","1.019","","","","has coordinates,has disorder","296493","2024-12-06","18:12:24",""
"7717238","8.359","0.0017","10.554","0.002","20.422","0.004","100.97","0.03","97.18","0.03","93.89","0.03","1747.1","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H41 Cl Cu F6 N3 P2 Ru -","- C32 H41 Cl Cu F6 N3 P2 Ru -","- C64 H82 Cl2 Cu2 F12 N6 P4 Ru2 -","2","1","","Wu, Jingyun; Stevens, Michael A.; Gardiner, Michael G.; Colebatch, Annie L.","Ruthenium, copper and ruthenium-copper complexes of an unsymmetrical phosphino pyridyl 1,8-naphthyridine PNNN ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","44","18037","18046","10.1039/d4dt02755h","","","0.71073","MoKα","","0.0397","0.0388","","","0.1067","0.1074","","","","","","1.106","","","","has coordinates","296493","2024-12-06","18:12:24",""
"7717239","11.2551","0.0002","18.548","0.0003","22.4544","0.0005","107.266","0.002","101.455","0.002","105.492","0.002","4112.34","0.17","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C175 H132 Cu4 O40 P8 -","- C175 H132 Cu4 O40 P8 -","- C175 H132 Cu4 O40 P8 -","1","1","","Rodríguez, Humberto A; Cruz, Daniel A.; Lavín, Víctor; Padrón, Juan I; Lorenzo-Luis, Pablo","Novel dinuclear open <i>paddle-wheel-like</i> copper complexes involving π-stacking on the basis of chiral binaphthyl phosphoric acid {(<i>R</i>)-PhosH}: structural, magnetic and optical properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18099","18103","10.1039/d4dt02044h","","x-ray","1.54184","CuKα","","0.0548","0.0507","","","0.1526","0.158","","","","","","1.051","","","","has coordinates","296608","2024-12-06","19:12:23",""
"7717240","15.2609","0.0005","15.7886","0.0005","15.9948","0.0006","90","","90","","90","","3853.9","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H28 F6 Ir N6 P -","- C43 H28 F6 Ir N6 P -","- C172 H112 F24 Ir4 N24 P4 -","4","1","","Choroba, Katarzyna; Palion-Gazda, Joanna; Penkala, Mateusz; Rawicka, Patrycja; Machura, Barbara","Tunability of triplet excited states and photophysical behaviour of bis-cyclometalated iridium(III) complexes with imidazo[4,5-<i>f</i>][1,10]phenanthroline.","Dalton transactions (Cambridge, England : 2003)","2024","53","44","17934","17947","10.1039/d4dt01996b","","x-ray","0.71073","MoKα","","0.0587","0.0422","","","0.0868","0.0962","","","","","","1.049","","","","has coordinates","296495","2024-12-06","18:12:52",""
"7717241","10.3738","0.001","11.1864","0.0011","13.0776","0.0012","98.322","0.004","90.855","0.004","102.047","0.004","1466.9","0.2","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H31 N O P2 -","- C38 H31 N O P2 -","- C76 H62 N2 O2 P4 -","2","1","","Dwivedi, Khilesh C.; Sabharwal, Gazal; Kote, Basvaraj S.; Balakrishna, Maravanji S.","Ni<sup>II</sup>, Pd<sup>II</sup> and Pt<sup>II</sup> pincer complexes of 2-(diphenylphosphanyl)-<i>N</i>-(2-(diphenyl-phosphanyl)benzyl)benzamide: synthesis, reactivity and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18321","18329","10.1039/d4dt02611j","","","0.71073","MoKα","","0.0858","0.0509","","","0.0947","0.1154","","","","","","1.097","","","","has coordinates","296599","2024-12-06","19:08:23",""
"7717242","12.6563","0.0014","12.8","0.0014","13.8746","0.0014","77.265","0.003","76.671","0.004","60.608","0.003","1890.3","0.4","105","2","105","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H34 Cl5 N O P2 Pt -","- C40 H34 Cl5 N O P2 Pt -","- C80 H68 Cl10 N2 O2 P4 Pt2 -","2","1","","Dwivedi, Khilesh C.; Sabharwal, Gazal; Kote, Basvaraj S.; Balakrishna, Maravanji S.","Ni<sup>II</sup>, Pd<sup>II</sup> and Pt<sup>II</sup> pincer complexes of 2-(diphenylphosphanyl)-<i>N</i>-(2-(diphenyl-phosphanyl)benzyl)benzamide: synthesis, reactivity and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18321","18329","10.1039/d4dt02611j","","","0.71073","MoKα","","0.0201","0.0196","","","0.0483","0.0486","","","","","","1.061","","","","has coordinates,has disorder","296599","2024-12-06","19:08:24",""
"7717243","12.6703","0.0004","12.9622","0.0004","13.9961","0.0003","76.582","0.002","77.268","0.002","62.127","0.003","1959.7","0.11","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C42 H38 Cl5 N Ni O P2 -","- C42 H38 Cl5 N Ni O P2 -","- C84 H76 Cl10 N2 Ni2 O2 P4 -","2","1","","Dwivedi, Khilesh C.; Sabharwal, Gazal; Kote, Basvaraj S.; Balakrishna, Maravanji S.","Ni<sup>II</sup>, Pd<sup>II</sup> and Pt<sup>II</sup> pincer complexes of 2-(diphenylphosphanyl)-<i>N</i>-(2-(diphenyl-phosphanyl)benzyl)benzamide: synthesis, reactivity and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18321","18329","10.1039/d4dt02611j","","x-ray","0.71073","MoKα","","0.0539","0.043","","","0.1034","0.1129","","","","","","1.035","","","","has coordinates","296599","2024-12-06","19:08:24",""
"7717244","9.4759","0.0007","22.9801","0.0016","14.8103","0.0009","90","","91.375","0.002","90","","3224.1","0.4","150","2","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H31 Cl2 N O P2 Pt -","- C38 H31 Cl2 N O P2 Pt -","- C152 H124 Cl8 N4 O4 P8 Pt4 -","4","1","","Dwivedi, Khilesh C.; Sabharwal, Gazal; Kote, Basvaraj S.; Balakrishna, Maravanji S.","Ni<sup>II</sup>, Pd<sup>II</sup> and Pt<sup>II</sup> pincer complexes of 2-(diphenylphosphanyl)-<i>N</i>-(2-(diphenyl-phosphanyl)benzyl)benzamide: synthesis, reactivity and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18321","18329","10.1039/d4dt02611j","","","0.71073","MoKα","","0.0401","0.031","","","0.0754","0.0797","","","","","","1.069","","","","has coordinates","296599","2024-12-06","19:08:24",""
"7717245","10.848","0.005","15.634","0.006","17.063","0.008","90","","101.377","0.017","90","","2837","2","150","2","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H25 Cl2 N O P2 Pt -","- C32 H25 Cl2 N O P2 Pt -","- C128 H100 Cl8 N4 O4 P8 Pt4 -","4","1","","Dwivedi, Khilesh C.; Sabharwal, Gazal; Kote, Basvaraj S.; Balakrishna, Maravanji S.","Ni<sup>II</sup>, Pd<sup>II</sup> and Pt<sup>II</sup> pincer complexes of 2-(diphenylphosphanyl)-<i>N</i>-(2-(diphenyl-phosphanyl)benzyl)benzamide: synthesis, reactivity and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18321","18329","10.1039/d4dt02611j","","","0.71073","MoKα","","0.0288","0.0273","","","0.071","0.072","","","","","","1.033","","","","has coordinates","296599","2024-12-06","19:08:24",""
"7717246","12.2009","0.0004","15.7343","0.0006","16.8999","0.0006","90","","90.188","0.004","90","","3244.3","0.2","150","0.1","150.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H30 Cl N O P2 Pt -","- C38 H30 Cl N O P2 Pt -","- C152 H120 Cl4 N4 O4 P8 Pt4 -","4","1","","Dwivedi, Khilesh C.; Sabharwal, Gazal; Kote, Basvaraj S.; Balakrishna, Maravanji S.","Ni<sup>II</sup>, Pd<sup>II</sup> and Pt<sup>II</sup> pincer complexes of 2-(diphenylphosphanyl)-<i>N</i>-(2-(diphenyl-phosphanyl)benzyl)benzamide: synthesis, reactivity and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18321","18329","10.1039/d4dt02611j","","","0.71073","MoKα","","0.0593","0.0417","","","0.0983","0.1104","","","","","","1.051","","","","has coordinates","296599","2024-12-06","19:08:24",""
"7717247","12.6618","0.0007","12.8044","0.0007","13.8971","0.0007","77.55","0.002","76.927","0.002","60.683","0.002","1898.98","0.18","150","2","150","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H34 Cl5 N O P2 Pd -","- C39 H32 Cl3 N O P2 Pd -","- C78 H64 Cl6 N2 O2 P4 Pd2 -","2","1","","Dwivedi, Khilesh C.; Sabharwal, Gazal; Kote, Basvaraj S.; Balakrishna, Maravanji S.","Ni<sup>II</sup>, Pd<sup>II</sup> and Pt<sup>II</sup> pincer complexes of 2-(diphenylphosphanyl)-<i>N</i>-(2-(diphenyl-phosphanyl)benzyl)benzamide: synthesis, reactivity and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18321","18329","10.1039/d4dt02611j","","","0.71073","MoKα","","0.0339","0.0283","","","0.0702","0.0728","","","","","","1.055","","","","has coordinates","296599","2024-12-06","19:08:24",""
"7717248","8.088","0.0007","7.4392","0.0009","15.9356","0.0017","90","","90.607","0.01","90","","958.76","0.18","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C20 H22 Cl2 Pd2 -","- C20 H22 Cl2 Pd2 -","- C40 H44 Cl4 Pd4 -","2","0.25","","Palio, Lorenzo; Bru, Francis; Ruggiero, Tommaso; Bourda, Laurens; Van Hecke, Kristof; Cazin, Catherine; Nolan, Steven P.","The role of the stabilizing/leaving group in palladium catalysed cross-coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2024","53","44","18013","18020","10.1039/d4dt02533d","","x-ray","1.54184","CuKα","","0.0561","0.0523","","","0.1355","0.1393","","","","","","1.04","","","","has coordinates,has disorder","296499","2024-12-06","18:14:23",""
"7717249","6.0531","0.0002","13.6424","0.0006","38.9669","0.0014","90","","91.464","0.004","90","","3216.8","0.2","100","0.1","100","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C32 H48 Cl2 Pd2 -","- C26 H34 Cl2 Pd2 -","- C104 H136 Cl8 Pd8 -","4","0.5","","Palio, Lorenzo; Bru, Francis; Ruggiero, Tommaso; Bourda, Laurens; Van Hecke, Kristof; Cazin, Catherine; Nolan, Steven P.","The role of the stabilizing/leaving group in palladium catalysed cross-coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2024","53","44","18013","18020","10.1039/d4dt02533d","","x-ray","1.54184","CuKα","","0.0516","0.0436","","","0.1214","0.1271","","","","","","1.072","","","","has coordinates","296499","2024-12-06","18:14:23",""
"7717250","5.8033","0.0002","13.9114","0.0004","22.1869","0.0006","99.334","0.002","96.009","0.002","90.598","0.002","1757.08","0.09","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H30 Cl2 Pd2 -","- C24 H30 Cl2 Pd2 -","- C72 H90 Cl6 Pd6 -","3","1.5","","Palio, Lorenzo; Bru, Francis; Ruggiero, Tommaso; Bourda, Laurens; Van Hecke, Kristof; Cazin, Catherine; Nolan, Steven P.","The role of the stabilizing/leaving group in palladium catalysed cross-coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2024","53","44","18013","18020","10.1039/d4dt02533d","","x-ray","1.54184","CuKα","","0.0731","0.0521","","","0.1309","0.1486","","","","","","1.044","","","","has coordinates,has disorder","296499","2024-12-06","18:14:23",""
"7717251","11.7576","0.0002","5.8652","0.0001","17.7802","0.0003","90","","104.767","0.002","90","","1185.64","0.04","293.15","0.01","293.15","0.01","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Cl2 Pd2 -","- C26 H22 Cl2 Pd2 -","- C52 H44 Cl4 Pd4 -","2","0.5","","Palio, Lorenzo; Bru, Francis; Ruggiero, Tommaso; Bourda, Laurens; Van Hecke, Kristof; Cazin, Catherine; Nolan, Steven P.","The role of the stabilizing/leaving group in palladium catalysed cross-coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2024","53","44","18013","18020","10.1039/d4dt02533d","","x-ray","1.54184","CuKα","","0.0382","0.0312","","","0.083","0.0913","","","","","","1.063","","","","has coordinates","296499","2024-12-06","18:14:23",""
"7717252","13.7772","0.0002","17.3254","0.0002","27.902","0.0003","90","","102.695","0.001","90","","6497.27","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C82 H73 Cl3 N2 Pd -","- C82 H73 Cl3 N2 Pd -","- C328 H292 Cl12 N8 Pd4 -","4","1","","Palio, Lorenzo; Bru, Francis; Ruggiero, Tommaso; Bourda, Laurens; Van Hecke, Kristof; Cazin, Catherine; Nolan, Steven P.","The role of the stabilizing/leaving group in palladium catalysed cross-coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2024","53","44","18013","18020","10.1039/d4dt02533d","","","1.54184","CuKα","","0.0426","0.0385","","","0.1046","0.1078","","","","","","1.044","","","","has coordinates,has disorder","296499","2024-12-06","18:14:23",""
"7717253","12.4677","0.0002","12.4677","0.0002","4.9871","0.0001","90","","90","","120","","671.35","0.02","100","2","100","2","","","","","","","","8","P 63","P 6c","173","","","","- Cs2 F6 Li3 Na3 O24 P6 Si Zn6 -","- Cs2 F6 Li3.36 Na2.64 O24 P6 Si Zn6 -","- Cs2 F6 Li3.36 Na2.64 O24 P6 Si Zn6 -","1","0.166667","","Liu, Mingfeng; Mi, Jin-Xiao; Zhang, Yinggan; Wang, Shuaihua; Wu, Shaofan; Huang, Ya-Xi","Approach for quality deep-ultraviolet nonlinear optical crystals <i>via</i> a substitution strategy of channel species in zeolite.","Dalton transactions (Cambridge, England : 2003)","2024","53","42","17151","17156","10.1039/d4dt02629b","","","0.71073","MoKα","","0.0349","0.0317","","","0.065","0.0667","","","","","","1.099","","","","has coordinates","296527","2024-12-06","18:27:59",""
"7717254","21.2465","0.0018","9.7088","0.0005","22.0761","0.0013","90","","90","","90","","4553.8","0.5","223","","223","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H48 N3 O40 V7 -","- C12 H48 N3 O40 V7 -","- C48 H192 N12 O160 V28 -","4","0.5","","Jin, Wan-Ting; Xie, Zhen-Lang; Su, Xing; Gao, Chuan-Hua; Hu, Jing; Zhou, Zhao-Hui","Iso- and hetero-polyoxovanadium glycolates [VIV6O<sub>6</sub>(glyc)<sub>6</sub>M<sup>III</sup>(OH)<sub>6</sub>]<sup>3-</sup> (M = V, Cr, Fe, and Al) encapsulating metal hydroxides.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18711","18719","10.1039/d4dt02370f","","x-ray","1.54184","CuKα","","0.1067","0.0961","","","0.2678","0.2907","","","","","","1.164","","","","has coordinates","296567","2024-12-06","18:52:54",""
"7717255","11.4407","0.0004","11.4407","0.0004","31.3283","0.0014","90","","90","","120","","3551.2","0.2","223","","223","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C12 H38 Cr N7 O44 S2 V6 -","- C12 H38 Cr N6.9998 O44 S2 V6 -","- C36 H114 Cr3 N20.9994 O132 S6 V18 -","3","0.166667","","Jin, Wan-Ting; Xie, Zhen-Lang; Su, Xing; Gao, Chuan-Hua; Hu, Jing; Zhou, Zhao-Hui","Iso- and hetero-polyoxovanadium glycolates [VIV6O<sub>6</sub>(glyc)<sub>6</sub>M<sup>III</sup>(OH)<sub>6</sub>]<sup>3-</sup> (M = V, Cr, Fe, and Al) encapsulating metal hydroxides.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18711","18719","10.1039/d4dt02370f","","x-ray","1.54184","CuKα","","0.0445","0.043","","","0.1224","0.1244","","","","","","1.082","","","","has coordinates","296567","2024-12-06","18:52:54",""
"7717256","11.3926","0.0005","11.3926","0.0005","31.4864","0.0018","90","","90","","120","","3539.2","0.3","173.9","0.6","173.9","0.6","","","","","","","","7","R -3 :H","-R 3","148","","","","- C12 H38 Al N7 O44 S2 V6 -","- C12 H38 Al N6.9998 O44 S2 V6 -","- C36 H114 Al3 N20.9994 O132 S6 V18 -","3","0.166667","","Jin, Wan-Ting; Xie, Zhen-Lang; Su, Xing; Gao, Chuan-Hua; Hu, Jing; Zhou, Zhao-Hui","Iso- and hetero-polyoxovanadium glycolates [VIV6O<sub>6</sub>(glyc)<sub>6</sub>M<sup>III</sup>(OH)<sub>6</sub>]<sup>3-</sup> (M = V, Cr, Fe, and Al) encapsulating metal hydroxides.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18711","18719","10.1039/d4dt02370f","","","0.71073","MoKα","","0.071","0.0582","","","0.153","0.1618","","","","","","1.064","","","","has coordinates","296567","2024-12-06","18:52:54",""
"7717257","20.72","0.0005","11.175","0.0003","21.0112","0.0004","90","","93.255","0.002","90","","4857.2","0.2","195","2","195","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H60 Fe N7 O45 S2 V6 -","- C12 H60 Fe N7 O45 S2 V6 -","- C48 H240 Fe4 N28 O180 S8 V24 -","4","0.5","","Jin, Wan-Ting; Xie, Zhen-Lang; Su, Xing; Gao, Chuan-Hua; Hu, Jing; Zhou, Zhao-Hui","Iso- and hetero-polyoxovanadium glycolates [VIV6O<sub>6</sub>(glyc)<sub>6</sub>M<sup>III</sup>(OH)<sub>6</sub>]<sup>3-</sup> (M = V, Cr, Fe, and Al) encapsulating metal hydroxides.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18711","18719","10.1039/d4dt02370f","","","0.71073","MoKα","","0.0416","0.0346","","","0.0836","0.0871","","","","","","1.08","","","","has coordinates","296567","2024-12-06","18:52:54",""
"7717258","11.809","0.003","20.79","0.006","21.43","0.006","90","","102.404","0.008","90","","5138","2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C106 H96 N26 O25 Ru2 -","- C106 H96 N26 O25 Ru2 -","- C212 H192 N52 O50 Ru4 -","2","0.5","","Mishra, Ramranjan; Chatterjee, Pritha; Butcher, Ray J.; Patra, Ashis K.","A serendipitous crossed aldol reaction in the ligand periphery of a Ru(II) polypyridyl complex in silica bed: prospects for delivering anticancer agents for photoactivated chemotherapy.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18484","18493","10.1039/d4dt02337d","","","0.71073","MoKα","","0.0925","0.0682","","","0.151","0.1635","","","","","","1.096","","","","has coordinates,has disorder","296563","2024-12-06","18:51:46",""
"7717259","9.897","0.0006","13.8181","0.0009","19.8826","0.0013","90","","99.115","0.004","90","","2684.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 Cl2 In N6 -","- C28 H21 Cl2 In N6 -","- C112 H84 Cl8 In4 N24 -","4","1","","Zhang, Zaichao; Fu, Li-Zhi; He, Piao; Yi, Xiao-Yi","Neutral mononuclear indium(III) photosensitizers for CO<sub>2</sub> photoreduction.","Dalton transactions (Cambridge, England : 2003)","2024","53","44","17772","17776","10.1039/d4dt02595d","","","0.71073","MoKα","","0.0827","0.0339","","","0.0384","0.0429","","","","","","1.017","","","","has coordinates,has disorder","296500","2024-12-06","18:14:37",""
"7717260","17.376","0.002","12.553","0.0014","15.4838","0.0019","90","","111.593","0.003","90","","3140.3","0.6","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H27 In N6 -","- C39 H27 In N6 -","- C156 H108 In4 N24 -","4","1","","Zhang, Zaichao; Fu, Li-Zhi; He, Piao; Yi, Xiao-Yi","Neutral mononuclear indium(III) photosensitizers for CO<sub>2</sub> photoreduction.","Dalton transactions (Cambridge, England : 2003)","2024","53","44","17772","17776","10.1039/d4dt02595d","","","0.71073","MoKα","","0.1294","0.0705","","","0.1665","0.2103","","","","","","1.097","","","","has coordinates","296500","2024-12-06","18:14:37",""
"7717261","4.5073","0.0002","11.5418","0.0003","18.3112","0.0006","90","","96.065","0.003","90","","947.26","0.06","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","SB","","- C9 H10 Br N O2 -","- C9 H10 Br N O2 -","- C36 H40 Br4 N4 O8 -","4","1","","Thakur, Sahil; Rohilla, Jyoti; Sharma, Sahil; Singh, Raghubir; Kamboj, Raman; Kaur, Varinder","Photosensitizing CNTs by organotin(IV) compounds: generation of reactive oxygen species and degradation of amoxicillin.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18283","18295","10.1039/d4dt02490g","","x-ray","0.71073","MoKα","","0.0628","0.0425","","","0.0918","0.0982","","","","","","1.068","","","","has coordinates","296595","2024-12-06","19:06:46",""
"7717262","8.1743","0.0003","9.9957","0.0003","10.3362","0.0004","70.458","0.003","67.582","0.004","72.878","0.003","722.13","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","SB-SnMe","","- C24 H34 Br2 N2 O6 Sn2 -","- C24 H34 Br2 N2 O6 Sn2 -","- C24 H34 Br2 N2 O6 Sn2 -","1","0.5","","Thakur, Sahil; Rohilla, Jyoti; Sharma, Sahil; Singh, Raghubir; Kamboj, Raman; Kaur, Varinder","Photosensitizing CNTs by organotin(IV) compounds: generation of reactive oxygen species and degradation of amoxicillin.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18283","18295","10.1039/d4dt02490g","","x-ray","0.71073","MoKα","","0.0413","0.0334","","","0.0822","0.0851","","","","","","1.054","","","","has coordinates","296595","2024-12-06","19:06:46",""
"7717263","8.4537","0.0006","6.1367","0.0003","33.002","0.002","90","","90","","90","","1712.07","0.18","298","","298","","","","","","","","","5","P c a 21","P 2c -2ac","29","","SAL-DP","","- C17 H16 Br2 N2 O3 -","- C17 H16 Br2 N2 O3 -","- C68 H64 Br8 N8 O12 -","4","1","","Thakur, Sahil; Rohilla, Jyoti; Sharma, Sahil; Singh, Raghubir; Kamboj, Raman; Kaur, Varinder","Photosensitizing CNTs by organotin(IV) compounds: generation of reactive oxygen species and degradation of amoxicillin.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18283","18295","10.1039/d4dt02490g","","x-ray","0.71073","MoKα","","0.0873","0.0507","","","0.1017","0.1134","","","","","","1.015","","","","has coordinates","296595","2024-12-06","19:06:46",""
"7717264","19.1383","0.0015","20.8486","0.0012","28.771","0.002","90","","97.455","0.007","90","","11382.8","1.4","236","100","236","100","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 Br3 N2 O5 Sn2 -","- C28 H29 Br3 N2 O5 Sn2 -","- C336 H348 Br36 N24 O60 Sn24 -","12","3","","Thakur, Sahil; Rohilla, Jyoti; Sharma, Sahil; Singh, Raghubir; Kamboj, Raman; Kaur, Varinder","Photosensitizing CNTs by organotin(IV) compounds: generation of reactive oxygen species and degradation of amoxicillin.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18283","18295","10.1039/d4dt02490g","","x-ray","0.71073","MoKα","","0.2813","0.1","","","0.2234","0.3092","","","","","","0.91","","","","has coordinates","296595","2024-12-06","19:06:46",""
"7717265","13.0173","0.0014","13.0173","0.0014","27.493","0.005","90","","90","","120","","4034.5","1","100","2","100","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- C29 H42 N6 -","- C29 H41.9997 N6 -","- C174 H251.998 N36 -","6","0.333333","","Kracht, Felix; Stuhl, Christoph; Maichle-Moessmer, Caecilia; Anwander, Reiner","Reactivity of Mg(AlMe4)2 towards neutral tris(pyrazolyl)alkanes","Dalton Transactions","2024","","","","","10.1039/D4DT02722A","","","0.71073","MoKα","","0.0989","0.0832","","","0.2389","0.2587","","","","","","1.077","","","","has coordinates,has disorder","295574","2024-10-21","22:54:45",""
"7717266","12.099","0.004","12.786","0.004","15.286","0.004","90.005","0.005","109.607","0.004","103.636","0.004","2156.7","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H71 Al Mg N6 O4 -","- C41 H71 Al Mg N6 O4 -","- C82 H142 Al2 Mg2 N12 O8 -","2","1","","Kracht, Felix; Stuhl, Christoph; Maichle-Moessmer, Caecilia; Anwander, Reiner","Reactivity of Mg(AlMe4)2 towards neutral tris(pyrazolyl)alkanes","Dalton Transactions","2024","","","","","10.1039/D4DT02722A","","","0.71073","MoKα","","0.1093","0.0737","","","0.1292","0.1438","","","","","","1.084","","","","has coordinates","295574","2024-10-21","22:54:46",""
"7717267","12.7968","0.001","12.7968","0.001","6.5617","0.0005","90","","90","","120","","930.57","0.12","100","2","100","2","","","","","","","","3","P 63","P 6c","173","","","","- C20 H24 N6 -","- C20 H23.9997 N6 -","- C40 H47.9994 N12 -","2","0.333333","","Kracht, Felix; Stuhl, Christoph; Maichle-Moessmer, Caecilia; Anwander, Reiner","Reactivity of Mg(AlMe4)2 towards neutral tris(pyrazolyl)alkanes","Dalton Transactions","2024","","","","","10.1039/D4DT02722A","","","0.71073","MoKα","","0.0486","0.0404","","","0.0914","0.0989","","","","","","1.054","","","","has coordinates,has disorder","295574","2024-10-21","22:54:48",""
"7717268","11.6713","0.0008","13.0857","0.0009","17.0523","0.0012","92.633","0.002","97.331","0.002","100.998","0.002","2529","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H26 N6 -","- C30 H26 N6 -","- C120 H104 N24 -","4","2","","Kracht, Felix; Stuhl, Christoph; Maichle-Moessmer, Caecilia; Anwander, Reiner","Reactivity of Mg(AlMe4)2 towards neutral tris(pyrazolyl)alkanes","Dalton Transactions","2024","","","","","10.1039/D4DT02722A","","","0.71073","MoKα","","0.0689","0.0517","","","0.1166","0.1279","","","","","","1.042","","","","has coordinates,has disorder","295574","2024-10-21","22:54:57",""
"7717269","10.0945","0.0006","10.6005","0.0006","14.4819","0.0008","68.975","0.002","84.913","0.002","66.251","0.001","1321.17","0.13","101","2","101","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H28 N6 -","- C31 H28 N6 -","- C62 H56 N12 -","2","1","","Kracht, Felix; Stuhl, Christoph; Maichle-Moessmer, Caecilia; Anwander, Reiner","Reactivity of Mg(AlMe4)2 towards neutral tris(pyrazolyl)alkanes","Dalton Transactions","2024","","","","","10.1039/D4DT02722A","","","0.71073","MoKα","","0.06","0.052","","","0.124","0.1317","","","","","","1.04","","","","has coordinates,has disorder","295574","2024-10-21","22:54:58",""
"7717270","9.9371","0.0002","10.2888","0.0002","14.6512","0.0004","71.188","0.001","87.314","0.001","68.604","0.001","1315.95","0.05","101","2","101","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H30 N6 -","- C32 H30 N6 -","- C64 H60 N12 -","2","1","","Kracht, Felix; Stuhl, Christoph; Maichle-Moessmer, Caecilia; Anwander, Reiner","Reactivity of Mg(AlMe4)2 towards neutral tris(pyrazolyl)alkanes","Dalton Transactions","2024","","","","","10.1039/D4DT02722A","","","0.71073","MoKα","","0.0518","0.0414","","","0.1039","0.1113","","","","","","1.022","","","","has coordinates","295574","2024-10-21","22:54:58",""
"7717271","9.7777","0.0012","12.1692","0.0014","13.3741","0.0016","111.897","0.002","103.651","0.002","97.092","0.002","1394.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H88 Al2 Mg N12 O2 -","- C50 H88 Al2 Mg N12 O2 -","- C50 H88 Al2 Mg N12 O2 -","1","0.5","","Kracht, Felix; Stuhl, Christoph; Maichle-Moessmer, Caecilia; Anwander, Reiner","Reactivity of Mg(AlMe4)2 towards neutral tris(pyrazolyl)alkanes","Dalton Transactions","2024","","","","","10.1039/D4DT02722A","","","0.71073","MoKα","","0.054","0.0406","","","0.0961","0.1045","","","","","","1.06","","","","has coordinates,has disorder","295574","2024-10-21","22:54:58",""
"7717272","12.9915","0.0016","13.6495","0.0017","15.6799","0.0019","88.421","0.003","83.625","0.003","78.741","0.003","2710.1","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H75 Al Mg N6 -","- C59 H75 Al Mg N6 -","- C118 H150 Al2 Mg2 N12 -","2","1","","Kracht, Felix; Stuhl, Christoph; Maichle-Moessmer, Caecilia; Anwander, Reiner","Reactivity of Mg(AlMe4)2 towards neutral tris(pyrazolyl)alkanes","Dalton Transactions","2024","","","","","10.1039/D4DT02722A","","","0.71073","MoKα","","0.0636","0.0423","","","0.1017","0.1148","","","","","","1.02","","","","has coordinates","295574","2024-10-21","22:54:59",""
"7717273","21.4977","0.0015","18.5064","0.0013","15.4454","0.0011","90","","97.102","0.001","90","","6097.7","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H72 Al2 D15 Mg N6 -","- C64 H72 Al2 D15 Mg N6 -","- C256 H288 Al8 D60 Mg4 N24 -","4","1","","Kracht, Felix; Stuhl, Christoph; Maichle-Moessmer, Caecilia; Anwander, Reiner","Reactivity of Mg(AlMe4)2 towards neutral tris(pyrazolyl)alkanes","Dalton Transactions","2024","","","","","10.1039/D4DT02722A","","","0.71073","MoKα","","0.0859","0.0471","","","0.1032","0.1231","","","","","","1.015","","","","has coordinates,has disorder","295574","2024-10-21","22:54:59",""
"7717274","10.2106","0.0006","30.7802","0.0017","11.0809","0.0006","90","","90","","90","","3482.6","0.3","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C17 H24 N6 -","- C17 H24 N6 -","- C136 H192 N48 -","8","2","","Kracht, Felix; Stuhl, Christoph; Maichle-Moessmer, Caecilia; Anwander, Reiner","Reactivity of Mg(AlMe4)2 towards neutral tris(pyrazolyl)alkanes","Dalton Transactions","2024","","","","","10.1039/D4DT02722A","","","0.71073","MoKα","","0.0513","0.0406","","","0.0923","0.0989","","","","","","1.034","","","","has coordinates","295574","2024-10-21","22:55:01",""
"7717275","11.1027","0.0012","17.3897","0.0019","20.542","0.002","90","","90","","90","","3966.1","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H66 Al2 Mg N6 -","- C37 H66 Al2 Mg N6 -","- C148 H264 Al8 Mg4 N24 -","4","1","","Kracht, Felix; Stuhl, Christoph; Maichle-Moessmer, Caecilia; Anwander, Reiner","Reactivity of Mg(AlMe4)2 towards neutral tris(pyrazolyl)alkanes","Dalton Transactions","2024","","","","","10.1039/D4DT02722A","","","0.71073","MoKα","","0.0756","0.0525","","","0.1223","0.135","","","","","","1.019","","","","has coordinates","295574","2024-10-21","22:55:01",""
"7717276","34.119","0.003","34.119","0.003","15.6274","0.0012","90","","90","","90","","18192","3","100","2","100","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C89.5 H112 Al2 Mg N12 -","- C89.5 H112 Al2 Mg N12 -","- C716 H896 Al16 Mg8 N96 -","8","0.5","","Kracht, Felix; Stuhl, Christoph; Maichle-Moessmer, Caecilia; Anwander, Reiner","Reactivity of Mg(AlMe4)2 towards neutral tris(pyrazolyl)alkanes","Dalton Transactions","2024","","","","","10.1039/D4DT02722A","","","0.71073","MoKα","","0.0774","0.057","","","0.129","0.1392","","","","","","1.044","","","","has coordinates,has disorder","295574","2024-10-21","22:55:01",""
"7717277","13.8482","0.0006","14.9319","0.0007","14.9564","0.0007","93.119","0.002","102.607","0.002","117.44","0.002","2635.3","0.2","150.15","","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C98 H106 Dy4 N14 O26 -","- C98 H106 Dy4 N14 O26 -","- C98 H106 Dy4 N14 O26 -","1","0.5","","Lu, Guan-Lin; Chiu, Shih-Ting; Lin, Po-Heng; Long, Jérôme","Modulating magnetic anisotropy in linear tetranuclear dysprosium(III) complexes <i>via</i> coordinated anions.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18575","18584","10.1039/d4dt01949k","","","0.71076","MoKα","","0.0209","0.0169","","","0.0417","0.0433","","","","","","1.095","","","","has coordinates","296560","2024-12-06","18:51:11",""
"7717278","13.1922","0.0008","14.136","0.0009","15.6765","0.001","101.295","0.002","99.543","0.002","117.467","0.002","2431","0.3","150.15","","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C100 H104 Dy4 N12 O22 -","- C100 H104 Dy4 N12 O22 -","- C100 H104 Dy4 N12 O22 -","1","0.5","","Lu, Guan-Lin; Chiu, Shih-Ting; Lin, Po-Heng; Long, Jérôme","Modulating magnetic anisotropy in linear tetranuclear dysprosium(III) complexes <i>via</i> coordinated anions.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18575","18584","10.1039/d4dt01949k","","","0.71076","MoKα","","0.0363","0.0246","","","0.0471","0.0511","","","","","","1.044","","","","has coordinates","296560","2024-12-06","18:51:12",""
"7717279","7.1823","0.0004","20.7871","0.0014","15.2194","0.001","90","","96.373","0.002","90","","2258.2","0.2","273","2","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N6 Ni S4 -","- C17 H17 N6 Ni S4 -","- C68 H68 N24 Ni4 S16 -","4","1","","Feng, Zi-Heng; Zhu, Qin-Yu; Qian, Yin; Gao, Xu-Sheng; Ren, Xiao-Ming","Spin and dielectric transitions promoted by dimerization of anionic radical stacks and volume-conserving motion of cations in an ion-pair compound.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18542","18548","10.1039/d4dt01719f","","","0.71073","MoKα","","0.1709","0.0582","","","0.0952","0.1229","","","","","","0.988","","","","has coordinates","296554","2024-12-06","18:45:29",""
"7717280","20.09","0.07","7.18","0.02","16.16","0.05","90","","90","","90","","2331","13","368","2","368.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C17 H17 N6 Ni S4 -","- C17 H17 N6 Ni S4 -","- C68 H68 N24 Ni4 S16 -","4","0.5","","Feng, Zi-Heng; Zhu, Qin-Yu; Qian, Yin; Gao, Xu-Sheng; Ren, Xiao-Ming","Spin and dielectric transitions promoted by dimerization of anionic radical stacks and volume-conserving motion of cations in an ion-pair compound.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18542","18548","10.1039/d4dt01719f","","","0.71073","MoKα","","0.1341","0.0889","","","0.2217","0.2692","","","","","","1.086","","","","has coordinates,has disorder","296554","2024-12-06","18:45:29",""
"7717281","33.1665","0.0002","10.3212","0.0001","12.4527","0.0001","90","","109.427","0.001","90","","4020.09","0.06","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H12 Mo N3 O3.5 S3.5 -","- C19 H12 Mo N3 O3.5 S3.5 -","- C152 H96 Mo8 N24 O28 S28 -","8","1","","Clausen, Kai Uwe; Meng, Xiangzhi; Reisig, Katrin; Näther, Christian; Strunskus, Thomas; Berndt, Richard; Tuczek, Felix","Monolayers of a thiacalix[3]pyridine-supported molybdenum(0) tricarbonyl complex on Au(111): characterisation with surface spectroscopy and scanning tunneling microscopy.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18304","18312","10.1039/d4dt02521k","","x-ray","1.54178","CuKα","","0.0201","0.0199","","","0.0528","0.053","","","","","","1.074","","","","has coordinates,has disorder","296594","2024-12-06","19:06:25",""
"7717282","10.9603","0.0002","10.4001","0.0002","14.9309","0.0003","90","","98.83","0.002","90","","1681.78","0.06","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H42 Cu N4 O2 -","- C40 H42 Cu N4 O2 -","- C80 H84 Cu2 N8 O4 -","2","1","","Meloni, Giammarco; Morgan, Luca; Cappelletti, David; Bevilacqua, Matteo; Graiff, Claudia; Pinter, Piermaria; Biffis, Andrea; Tubaro, Cristina; Baron, Marco","Exploring the reductive CO<sub>2</sub> fixation with amines and hydrosilanes using readily available Cu(II) NHC-phenolate catalyst precursors.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18128","18140","10.1039/d4dt02936d","","","0.71073","MoKα","","0.0271","0.0259","","","0.0655","0.0666","","","","","","1.035","","","","has coordinates","296602","2024-12-06","19:09:03",""
"7717283","15.9866","0.0003","12.915","0.0003","10.0896","0.0002","90","","91.323","0.002","90","","2082.61","0.07","301","2","301","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H24 Br Cu N2 O -","- C21 H24 Br Cu N2 O -","- C84 H96 Br4 Cu4 N8 O4 -","4","1","","Meloni, Giammarco; Morgan, Luca; Cappelletti, David; Bevilacqua, Matteo; Graiff, Claudia; Pinter, Piermaria; Biffis, Andrea; Tubaro, Cristina; Baron, Marco","Exploring the reductive CO<sub>2</sub> fixation with amines and hydrosilanes using readily available Cu(II) NHC-phenolate catalyst precursors.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18128","18140","10.1039/d4dt02936d","","","1.54184","CuKα","","0.0404","0.0386","","","0.1158","0.1189","","","","","","1","","","","has coordinates","296602","2024-12-06","19:09:04",""
"7717284","11.883","0.003","13.115","0.003","21.624","0.005","90","","90","","90","","3370","1.4","296","2","296.15","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- B5 H4 K O10 -","- B5 H4 K O10 -","- B80 H64 K16 O160 -","16","0.5","","Li, Xiaojing; Zhang, Luyong; Li, Fuming; Yang, Zhihua; Hou, Xueling; Zhang, Fangfang","Syntheses, structures and properties of two new members of the pentaborate family: NaKB<sub>5</sub>O<sub>8</sub>(OH)·H<sub>2</sub>O and KB<sub>5</sub>O<sub>8</sub>·2H<sub>2</sub>O.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18782","18788","10.1039/d4dt02672a","","","0.71073","MoKα","","0.0567","0.0423","","","0.1018","0.1099","","","","","","1.074","","","","has coordinates","296561","2024-12-06","18:51:22",""
"7717285","6.6157","0.0005","6.6221","0.0005","11.1837","0.0008","78.713","0.003","76.654","0.002","60.592","0.002","413.33","0.05","156","","156","","","","","","","","","5","P -1","-P 1","2","","","","- B5 H3 K Na O10 -","- B5 H3 K Na O10 -","- B10 H6 K2 Na2 O20 -","2","1","","Li, Xiaojing; Zhang, Luyong; Li, Fuming; Yang, Zhihua; Hou, Xueling; Zhang, Fangfang","Syntheses, structures and properties of two new members of the pentaborate family: NaKB<sub>5</sub>O<sub>8</sub>(OH)·H<sub>2</sub>O and KB<sub>5</sub>O<sub>8</sub>·2H<sub>2</sub>O.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18782","18788","10.1039/d4dt02672a","","","0.71073","MoKα","","0.0442","0.0348","","","0.0756","0.0857","","","","","","1.081","","","","has coordinates","296561","2024-12-06","18:51:22",""
"7717286","9.097","0.002","24.739","0.005","17.116","0.003","90","","104.682","0.007","90","","3726.2","1.3","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H44 Dy Na O28 V2 -","- C24 H44 Dy Na O28 V2 -","- C96 H176 Dy4 Na4 O112 V8 -","4","0.5","","Bazhina, Evgeniya S.; Shmelev, Maxim A.; Gogoleva, Natalia V.; Babeshkin, Konstantin A.; Kurganskii, Ivan V.; Efimov, Nikolay N.; Fedin, Matvey V.; Kiskin, Mikhail A.; Eremenko, Igor L.","Investigation of slow magnetic relaxation in a series of 1D polymeric cyclobutane-1,1-dicarboxylates based on Ln<sup>III</sup>VIV2 units (Ln<sup>III</sup> = Tb, Dy, Ho, Er, Tm, Yb): rare examples of V<sup>IV</sup>-4f single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18161","18174","10.1039/d4dt01779j","","","0.71073","MoKα","","0.0298","0.0259","","","0.0548","0.0567","","","","","","1.045","","","","has coordinates","296607","2024-12-06","19:12:09",""
"7717287","9.088","0.004","24.681","0.011","17.098","0.008","90","","104.589","0.008","90","","3711","3","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H44 Er Na O28 V2 -","- C24 H44 Er Na O28 V2 -","- C96 H176 Er4 Na4 O112 V8 -","4","0.5","","Bazhina, Evgeniya S.; Shmelev, Maxim A.; Gogoleva, Natalia V.; Babeshkin, Konstantin A.; Kurganskii, Ivan V.; Efimov, Nikolay N.; Fedin, Matvey V.; Kiskin, Mikhail A.; Eremenko, Igor L.","Investigation of slow magnetic relaxation in a series of 1D polymeric cyclobutane-1,1-dicarboxylates based on Ln<sup>III</sup>VIV2 units (Ln<sup>III</sup> = Tb, Dy, Ho, Er, Tm, Yb): rare examples of V<sup>IV</sup>-4f single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18161","18174","10.1039/d4dt01779j","","","0.71073","MoKα","","0.0479","0.0405","","","0.0991","0.1035","","","","","","1.036","","","","has coordinates","296607","2024-12-06","19:12:10",""
"7717288","9.2986","0.0002","9.2986","0.0002","7.2542","0.0002","90","","90","","120","","543.19","0.02","220","","220","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- Al3 B4 O12 Tb -","- Al3 B4 O12 Tb -","- Al9 B12 O36 Tb3 -","3","0.166667","","Kuznetsov, A. B.; Jamous, A. Y.; Rakhmanova, M. I.; Simonova, E. A.; Svetlichnyi, V. A.; Kokh, A. E.; Yudin, V. N.; Solodovnikov, S. F.; Shevchenko, V. S.; Kokh, K. A.","Nonstoichiometry as a hidden aspect of TbAl<sub>3</sub>(BO<sub>3</sub>)<sub>4</sub> optical properties.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18653","18661","10.1039/d4dt02695k","","","0.71073","MoKα","","0.0094","0.0094","","","0.0219","0.0219","","","","","","1.1","","","","has coordinates","296566","2024-12-06","18:52:38",""
"7717289","38.74","0.004","38.74","0.004","8.7118","0.0005","90","","90","","90","","13075","2","130","","130","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C25 H25 Cl4 Mn2 N3 O11 -","- C25 H25 Cl4 Mn2 N3 O11 -","- C400 H400 Cl64 Mn32 N48 O176 -","16","1","","Ghasemzadeh, Roghayyeh; Akhbari, Kamran; Kawata, Satoshi","rGO/MUT-15 nanocomposite as a Fenton-like photocatalyst for the degradation of Acid Yellow 73 under visible light.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18268","18282","10.1039/d4dt01201a","","","0.71075","MoKα","","0.0631","0.0495","","","0.0972","0.1024","","","","","","1.097","","","","has coordinates,has disorder","296598","2024-12-06","19:07:45",""
"7717290","12.8701","0.0004","12.8701","0.0004","5.1654","0.0002","90","","90","","120","","740.97","0.04","99.98","0.1","100.15","","","","","","","","","5","P 63","P 6c","173","","","","- F6 Na6 O30 Se8 V7 -","- F6 Na6 O30 Se8 V7 -","- F6 Na6 O30 Se8 V7 -","1","0.166667","","Zhu, Tianyu; Zhao, Zhiying; Cui, Meiyan; Zhang, Wenhao; He, Zhangzhen","A new S = 1/2 stacked kagomé lattice compound showing two successive ferromagnetic transitions","Dalton Transactions","2024","","","","","10.1039/D4DT02617A","","","0.71073","MoKα","","0.0389","0.0378","","","0.0936","0.0946","","","","","","1.149","","","","has coordinates,has disorder","295615","2024-10-24","22:52:58",""
"7717291","14.6927","0.0008","18.5978","0.0011","14.5593","0.0008","90","","112.463","0.002","90","","3676.5","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H88 Cl8 F12 N4 -","- C68 H88 Cl8 F12 N4 -","- C136 H176 Cl16 F24 N8 -","2","0.5","","Kundu, Gargi; Pramanik, Debjit; Dash, Soumya Ranjan; Kumar, Ravi; Sangole, Mayur; Tothadi, Srinu; Ghosh, Aryya; Vanka, Kumar; Singh, Kirandeep; Sen, Sakya S.","Unprecedented C-F bond cleavage in perfluoronaphthalene during cobaltocene reduction.","Dalton transactions (Cambridge, England : 2003)","2024","53","44","17789","17793","10.1039/d4dt02791d","","","0.71073","MoKα","","0.0759","0.0652","","","0.1714","0.1818","","","","","","1.073","","","","has coordinates,has disorder","296501","2024-12-06","18:15:06",""
"7717292","10.5204","0.0008","18.2379","0.0015","21.2226","0.0015","90","","102.566","0.002","90","","3974.4","0.5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H84 B4 Cl8 F20 N4 -","- C68 H84 B4 Cl8 F20 N4 -","- C136 H168 B8 Cl16 F40 N8 -","2","0.5","","Kundu, Gargi; Pramanik, Debjit; Dash, Soumya Ranjan; Kumar, Ravi; Sangole, Mayur; Tothadi, Srinu; Ghosh, Aryya; Vanka, Kumar; Singh, Kirandeep; Sen, Sakya S.","Unprecedented C-F bond cleavage in perfluoronaphthalene during cobaltocene reduction.","Dalton transactions (Cambridge, England : 2003)","2024","53","44","17789","17793","10.1039/d4dt02791d","","","0.71073","MoKα","","0.1121","0.107","","","0.2566","0.266","","","","","","1.121","","","","has coordinates","296501","2024-12-06","18:15:07",""
"7717293","14.0847","0.0015","14.5294","0.0016","21.074","0.002","92.13","0.004","99.925","0.003","107.864","0.003","4024.6","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C93 H117 Co2 F4 N4 -","- C93 H117 Co2 F4 N4 -","- C186 H234 Co4 F8 N8 -","2","1","","Kundu, Gargi; Pramanik, Debjit; Dash, Soumya Ranjan; Kumar, Ravi; Sangole, Mayur; Tothadi, Srinu; Ghosh, Aryya; Vanka, Kumar; Singh, Kirandeep; Sen, Sakya S.","Unprecedented C-F bond cleavage in perfluoronaphthalene during cobaltocene reduction.","Dalton transactions (Cambridge, England : 2003)","2024","53","44","17789","17793","10.1039/d4dt02791d","","","0.71073","MoKα","","0.0673","0.0509","","","0.153","0.1714","","","","","","1.105","","","","has coordinates,has disorder","296501","2024-12-06","18:15:07",""
"7717294","30.9641","0.0003","21.1528","0.0004","9.8832","0.0004","90","","93.364","0.002","90","","6462.1","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C65 H104 Be N2 O4 P2 -","- C65 H104 Be N2 O4 P2 -","- C260 H416 Be4 N8 O16 P8 -","4","1","","Czernetzki, Corinna; Arrowsmith, Merle; Jürgensen, Malte; Hagspiel, Stephan; Braunschweig, Holger","Synthesis and structures of molecular beryllium Grignard analogues featuring terminal and bridging pseudohalides.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18296","18303","10.1039/d4dt02457e","","x-ray","1.54184","CuKα","K-L~2,3~","0.0907","0.0706","","","0.1847","0.2047","","","","","","0.992","","","","has coordinates,has disorder","296603","2024-12-06","19:10:14",""
"7717295","10.4324","0.0005","18.541","0.005","15.2352","0.0007","90","","93.294","0.006","90","","2942","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(CAAC)BDur(NCS)","2b","","- C31 H44 Be N2 S -","- C31 H44 Be N2 S -","- C124 H176 Be4 N8 S4 -","4","1","","Czernetzki, Corinna; Arrowsmith, Merle; Jürgensen, Malte; Hagspiel, Stephan; Braunschweig, Holger","Synthesis and structures of molecular beryllium Grignard analogues featuring terminal and bridging pseudohalides.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18296","18303","10.1039/d4dt02457e","","x-ray","1.54184","CuKα","K-L~2,3~","0.0443","0.0411","","","0.1168","0.1196","","","","","","1.067","","","","has coordinates","296603","2024-12-06","19:10:14",""
"7717296","9.812","0.0016","11.11","0.003","18.791","0.003","73.825","0.01","83.585","0.009","78.758","0.016","1926","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","[(CAAC)(CAACH)Be(NCS)], 2a","","- C41 H63 Be N3 S -","- C41 H63 Be N3 S -","- C82 H126 Be2 N6 S2 -","2","1","","Czernetzki, Corinna; Arrowsmith, Merle; Jürgensen, Malte; Hagspiel, Stephan; Braunschweig, Holger","Synthesis and structures of molecular beryllium Grignard analogues featuring terminal and bridging pseudohalides.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18296","18303","10.1039/d4dt02457e","","","0.71073","MoKα","","0.0489","0.0408","","","0.1009","0.1068","","","","","","1.024","","","","has coordinates","296603","2024-12-06","19:10:14",""
"7717297","9.8175","0.0002","11.1664","0.0003","18.825","0.0004","73.555","0.002","83.483","0.002","78.427","0.002","1935.52","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","[(CAAC)(CAACH)Be(OCP)], 4a","","- C40.93 H63 Be Br0.07 N2 O0.93 P0.93 -","- C40.9334 H63 Be Br0.0666 N2 O0.9334 P0.9334 -","- C81.8668 H126 Be2 Br0.1332 N4 O1.8668 P1.8668 -","2","1","","Czernetzki, Corinna; Arrowsmith, Merle; Jürgensen, Malte; Hagspiel, Stephan; Braunschweig, Holger","Synthesis and structures of molecular beryllium Grignard analogues featuring terminal and bridging pseudohalides.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18296","18303","10.1039/d4dt02457e","","x-ray","1.54184","CuKα","K-L~2,3~","0.0644","0.0474","","","0.1279","0.1377","","","","","","1.022","","","","has coordinates,has disorder","296603","2024-12-06","19:10:14",""
"7717298","18.3535","0.0001","30.9252","0.0002","25.8198","0.0002","90","","95.178","0.001","90","","14595.1","0.17","100","2","100","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","[(CAAC)BrBe(NCO)]6, 7","","- C144 H204 Be6 Br6 N12 O6 -","- C144 H204 Be6 Br6 N12 O6 -","- C576 H816 Be24 Br24 N48 O24 -","4","0.5","","Czernetzki, Corinna; Arrowsmith, Merle; Jürgensen, Malte; Hagspiel, Stephan; Braunschweig, Holger","Synthesis and structures of molecular beryllium Grignard analogues featuring terminal and bridging pseudohalides.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18296","18303","10.1039/d4dt02457e","","","1.54184","CuKα","","0.0624","0.0522","","","0.1391","0.1497","","","","","","1.006","","","","has coordinates,has disorder","296603","2024-12-06","19:10:14",""
"7717299","18.2979","0.0002","16.8696","0.0002","18.7109","0.0002","90","","90","","90","","5775.65","0.11","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[(CAAC)(Dur)Be(OCP)], 4b","","- C31 H44 Be N O P -","- C31 H44 Be N O P -","- C248 H352 Be8 N8 O8 P8 -","8","1","","Czernetzki, Corinna; Arrowsmith, Merle; Jürgensen, Malte; Hagspiel, Stephan; Braunschweig, Holger","Synthesis and structures of molecular beryllium Grignard analogues featuring terminal and bridging pseudohalides.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18296","18303","10.1039/d4dt02457e","","x-ray","1.54184","CuKα","K-L~2,3~","0.0509","0.0443","","","0.1237","0.128","","","","","","1.053","","","","has coordinates","296603","2024-12-06","19:10:14",""
"7717300","61.1639","0.0003","15.5496","0.0001","18.6563","0.0001","90","","90","","90","","17743.5","0.17","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","[(THF)2(CAACH)Be(OCP)], 3","","- C29 H48 Be N O3 P -","- C29 H48 Be N O3 P -","- C696 H1152 Be24 N24 O72 P24 -","24","3","","Czernetzki, Corinna; Arrowsmith, Merle; Jürgensen, Malte; Hagspiel, Stephan; Braunschweig, Holger","Synthesis and structures of molecular beryllium Grignard analogues featuring terminal and bridging pseudohalides.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18296","18303","10.1039/d4dt02457e","","x-ray","1.54184","CuKα","K-L~2,3~","0.0498","0.0463","","","0.1227","0.1252","","","","","","1.042","","","","has coordinates,has disorder","296603","2024-12-06","19:10:14",""
"7717301","35.978","0.006","25.4382","0.0016","36.315","0.003","90","","92.089","0.01","90","","33214","7","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C110 H184 B E4 N8 O4 -","- C100 H160 Be4 N8 O4 -","- C1200 H1920 Be48 N96 O48 -","12","1.5","","Czernetzki, Corinna; Arrowsmith, Merle; Jürgensen, Malte; Hagspiel, Stephan; Braunschweig, Holger","Synthesis and structures of molecular beryllium Grignard analogues featuring terminal and bridging pseudohalides.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18296","18303","10.1039/d4dt02457e","","x-ray","1.54184","CuKα","K-L~2,3~","0.2933","0.155","","","0.4058","0.4805","","","","","","1.307","","","","has coordinates,has disorder","296603","2024-12-06","19:10:14",""
"7717302","8.113","0.002","9.814","0.003","11.106","0.003","70.87","0.012","85.776","0.013","84.188","0.013","830.4","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H14 B2 F20 N4 -","- C36 H14 B2 F20 N4 -","- C36 H14 B2 F20 N4 -","1","0.5","","Yeung, Jason; Yeganeh-Salman, Amir; Miao, Linkun; Stephan, Douglas W.","Reactions of 1,1- and 1,2-bis-boranes with a protic diamine and hydrazine.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18727","18735","10.1039/d4dt02704c","","","0.71073","MoKα","","0.0832","0.0527","","","0.123","0.1437","","","","","","0.9919","","","","has coordinates","296556","2024-12-06","18:47:11",""
"7717303","7.983","0.006","11.67","0.01","20.763","0.017","73.978","0.014","87.645","0.017","73.913","0.016","1785","3","149.91","","149.91","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H16 B2 F22 N2 -","- C38 H16 B2 F22 N2 -","- C76 H32 B4 F44 N4 -","2","1","","Yeung, Jason; Yeganeh-Salman, Amir; Miao, Linkun; Stephan, Douglas W.","Reactions of 1,1- and 1,2-bis-boranes with a protic diamine and hydrazine.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18727","18735","10.1039/d4dt02704c","","","0.71073","MoKα","","0.0809","0.0422","","","0.0828","0.1007","","","","","","1.0508","","","","has coordinates","296556","2024-12-06","18:47:12",""
"7717304","15.869","0.003","10.5026","0.0018","21.376","0.004","90","","96.3","0.006","90","","3541.1","1.1","149.91","","149.91","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H27 B2 F15 N2 Si -","- C36 H27 B2 F15 N2 Si -","- C144 H108 B8 F60 N8 Si4 -","4","1","","Yeung, Jason; Yeganeh-Salman, Amir; Miao, Linkun; Stephan, Douglas W.","Reactions of 1,1- and 1,2-bis-boranes with a protic diamine and hydrazine.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18727","18735","10.1039/d4dt02704c","","","0.71073","MoKα","","0.1199","0.087","","","0.2108","0.2494","","","","","","0.9993","","","","has coordinates","296556","2024-12-06","18:47:12",""
"7717305","14.84","0.02","13.348","0.018","20.36","0.03","90","","90","","90","","4033","10","150.02","","150.02","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C36.75 H22.5 B2 Cl3.5 F20 N2 Si -","- C35 H19 B2 F20 N2 Si -","- C140 H76 B8 F80 N8 Si4 -","4","1","","Yeung, Jason; Yeganeh-Salman, Amir; Miao, Linkun; Stephan, Douglas W.","Reactions of 1,1- and 1,2-bis-boranes with a protic diamine and hydrazine.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18727","18735","10.1039/d4dt02704c","","","0.71073","MoKα","","0.0964","0.0581","","","0.1196","0.1389","","","","","","0.9698","","","","has coordinates","296556","2024-12-06","18:47:13",""
"7717306","11.6711","0.0016","12.4063","0.0017","14.3607","0.0016","96.574","0.006","105.057","0.006","102.001","0.007","1932.6","0.4","149.99","","149.99","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H18 B2 F20 Si -","- C44 H18 B2 F20 Si -","- C88 H36 B4 F40 Si2 -","2","1","","Yeung, Jason; Yeganeh-Salman, Amir; Miao, Linkun; Stephan, Douglas W.","Reactions of 1,1- and 1,2-bis-boranes with a protic diamine and hydrazine.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18727","18735","10.1039/d4dt02704c","","","0.71073","MoKα","","0.1211","0.0556","","","0.105","0.1335","","","","","","1.0494","","","","has coordinates","296556","2024-12-06","18:47:13",""
"7717307","13.6514","0.0013","22.8589","0.0015","14.2902","0.0011","90","","113.044","0.005","90","","4103.5","0.6","149.99","","149.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H20 B2 Cl4 F20 N2 -","- C40 H20 B2 Cl4 F20 N2 -","- C160 H80 B8 Cl16 F80 N8 -","4","1","","Yeung, Jason; Yeganeh-Salman, Amir; Miao, Linkun; Stephan, Douglas W.","Reactions of 1,1- and 1,2-bis-boranes with a protic diamine and hydrazine.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18727","18735","10.1039/d4dt02704c","","","0.71073","MoKα","","0.1689","0.1059","","","0.2422","0.2748","","","","","","1.0988","","","","has coordinates","296556","2024-12-06","18:47:13",""
"7717308","18.2408","0.0013","7.2508","0.0005","20.1111","0.0015","90","","98.373","0.004","90","","2631.6","0.3","150.01","","150.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 B2 F15 N2 Si -","- C23 H15 B2 F15 N2 Si -","- C92 H60 B8 F60 N8 Si4 -","4","1","","Yeung, Jason; Yeganeh-Salman, Amir; Miao, Linkun; Stephan, Douglas W.","Reactions of 1,1- and 1,2-bis-boranes with a protic diamine and hydrazine.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18727","18735","10.1039/d4dt02704c","","","0.71073","MoKα","","0.0877","0.0564","","","0.1207","0.1432","","","","","","1.1503","","","","has coordinates","296556","2024-12-06","18:47:13",""
"7717309","21.2545","0.0014","15.6065","0.0009","7.4968","0.0004","90","","90.204","0.005","90","","2486.7","0.3","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H18 Br2 N10 Ru2 -","- C20 H18 Br2 N10 Ru2 -","- C80 H72 Br8 N40 Ru8 -","4","1","","Neole, Nupoor Gopal; Yhobu, Zhoveta; Małecki, Jan Grzegorz; Nagaraju, Doddahalli H.; Budagumpi, Srinivasa","Ruthenium(II) N-heterocyclic carbene polymer based sensors for detection of predatory drugs like ketamine and scopolamine.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18330","18345","10.1039/d4dt02389g","","x-ray","0.71073","MoKα","","0.0879","0.0641","","","0.1716","0.1942","","","","","","1.068","","","","has coordinates","296600","2024-12-06","19:08:35",""
"7717310","14.8062","0.0004","10.1238","0.0003","21.345","0.0007","90","","90.579","0.003","90","","3199.35","0.17","170","0.4","170","0.4","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H20 Cl2 Fe N3.5 O0.12 -","- C13 H21 Cl2 Fe N3 O0.5 -","- C104 H168 Cl16 Fe8 N24 O4 -","8","1","","Sohail, Sunny; Ma, Yanping; Mahmood, Qaiser; Hu, Zexu; Wang, Yizhou; Liang, Tongling; Sun, Wen Hua","Achieving Isopropenyl-Enriched Polyisoprene: Unraveling the Role of Bidentate vs. Tridentate Iron Precatalysts through Ligand Framework Design","Dalton Transactions","2024","","","","","10.1039/D4DT02659D","","x-ray","1.54184","CuKα","","0.0536","0.0488","","","0.1314","0.1361","","","","","","1.052","","","","has coordinates","295669","2024-10-29","23:47:36",""
"7717311","12.3257","0.0003","13.4312","0.0003","15.1114","0.0003","89.086","0.002","70.721","0.002","85.196","0.002","2352.91","0.1","170","0.6","170","0.6","","","","","","","","5","P -1","-P 1","2","","","","- C92 H94 Cl13 Fe4 N18 -","- C92 H94 Cl13 Fe4 N18 -","- C92 H94 Cl13 Fe4 N18 -","1","0.5","","Sohail, Sunny; Ma, Yanping; Mahmood, Qaiser; Hu, Zexu; Wang, Yizhou; Liang, Tongling; Sun, Wen Hua","Achieving Isopropenyl-Enriched Polyisoprene: Unraveling the Role of Bidentate vs. Tridentate Iron Precatalysts through Ligand Framework Design","Dalton Transactions","2024","","","","","10.1039/D4DT02659D","","x-ray","1.54184","CuKα","","0.0725","0.0648","","","0.1864","0.196","","","","","","1.061","","","","has coordinates","295669","2024-10-29","23:47:36",""
"7717312","9.9425","0.0008","18.0802","0.0015","21.1419","0.0017","93.548","0.001","98.066","0.001","94.473","0.001","3741.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H120 N8 Np2 O11 -","- C70 H120 N8 Np2 O11 -","- C140 H240 N16 Np4 O22 -","2","1","","Mikeska, Emily; Curry, Thomas Davis; Wilson, Richard; Blakemore, James","Electroanalytical Characterization of Np(VI)/Np(V) Redox in a Pentadentate Ligand Environment and Stabilization of [NpVO2]+ by Hydrogen Bonding","Dalton Transactions","2024","","","","","10.1039/D4DT02557A","","x-ray","0.71073","MoKα","","0.0782","0.0524","","","0.1207","0.1354","","","","","","1.03","","","","has coordinates,has disorder","295670","2024-10-29","23:48:03",""
"7717313","9.9804","0.0007","18.0918","0.0013","21.0492","0.0015","93.77","0.001","98.483","0.001","94.106","0.001","3738.3","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C140 H234 N16 Np4 O21 -","- C140 H234 N16 Np4 O21 -","- C140 H234 N16 Np4 O21 -","1","0.5","","Mikeska, Emily; Curry, Thomas Davis; Wilson, Richard; Blakemore, James","Electroanalytical Characterization of Np(VI)/Np(V) Redox in a Pentadentate Ligand Environment and Stabilization of [NpVO2]+ by Hydrogen Bonding","Dalton Transactions","2024","","","","","10.1039/D4DT02557A","","x-ray","0.71073","MoKα","","0.0981","0.0477","","","0.0846","0.0968","","","","","","1.13","","","","has coordinates,has disorder","295670","2024-10-29","23:48:04",""
"7717314","9.9521","0.0004","18.0582","0.0008","21.1643","0.0009","93.562","0.001","97.981","0.001","94.439","0.001","3745.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H120 N8 Np2 O11 -","- C70 H120 N8 Np2 O11 -","- C140 H240 N16 Np4 O22 -","2","1","","Mikeska, Emily; Curry, Thomas Davis; Wilson, Richard; Blakemore, James","Electroanalytical Characterization of Np(VI)/Np(V) Redox in a Pentadentate Ligand Environment and Stabilization of [NpVO2]+ by Hydrogen Bonding","Dalton Transactions","2024","","","","","10.1039/D4DT02557A","","x-ray","0.71073","MoKα","","0.0879","0.0534","","","0.1157","0.1308","","","","","","1.017","","","","has coordinates,has disorder","295670","2024-10-29","23:48:04",""
"7717315","8.1332","0.0003","12.4868","0.0005","14.157","0.0005","104.594","0.0013","92.0834","0.0012","107.165","0.0012","1319.83","0.09","298","2","298","2","","","","","","","synthesis","5","P -1","-P 1","2","","","","- C56 H60 Co2 N4 O8 -","- C56 H60 Co2 N4 O8 -","- C56 H60 Co2 N4 O8 -","1","0.5","","Imperato, Manuel; Nicolini, Alessio; Boniburini, Matteo; Gómez-Coca, Silvia; Ruiz, Eliseo; Santanni, Fabio; Sorace, Lorenzo; Cornia, Andrea","Phase-dependent polymerization isomerism in the coordination complexes of a flexible bis(β-diketonato) ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18762","18781","10.1039/d4dt02574a","","","0.71073","MoKα","","0.0355","0.0284","","","0.0743","0.0791","","","","","","1.026","","","","has coordinates","296562","2024-12-06","18:51:31",""
"7717316","13.7957","0.0001","13.5705","0.0001","38.2006","0.0004","90","","96.361","0.001","90","","7107.68","0.11","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C79 H58 Cu I N3 P3 -","- C79 H58 Cu I N3 P3 -","- C316 H232 Cu4 I4 N12 P12 -","4","1","","Chen, Zhun; Xu, Wei; Zhu, Rui-Qin; Liu, Li; Zhong, Xinxin; Zhou, Guijiang; Li, Fa-Bao; Qin, Hai-Mei","Heteroleptic Mononuclear Cu(I) Halide Complexes Containing Carbazolyl Substituted Phenyl Diphosphine and Monophosphine: Structures, Photophysical and Electroluminescent Properties","Dalton Transactions","2024","","","","","10.1039/D4DT02469A","","x-ray","1.54184","CuKα","","0.0455","0.0424","","","0.1099","0.1121","","","","","","1.028","","","","has coordinates,has disorder","295672","2024-10-29","23:49:11",""
"7717317","13.7946","0.0002","13.5185","0.0002","37.9095","0.0006","90","","96.757","0.001","90","","7020.35","0.18","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","123","","- C79 H58 Br Cu N3 P3 -","- C79 H58 Br Cu N3 P3 -","- C316 H232 Br4 Cu4 N12 P12 -","4","1","","Chen, Zhun; Xu, Wei; Zhu, Rui-Qin; Liu, Li; Zhong, Xinxin; Zhou, Guijiang; Li, Fa-Bao; Qin, Hai-Mei","Heteroleptic Mononuclear Cu(I) Halide Complexes Containing Carbazolyl Substituted Phenyl Diphosphine and Monophosphine: Structures, Photophysical and Electroluminescent Properties","Dalton Transactions","2024","","","","","10.1039/D4DT02469A","","x-ray","1.54184","CuKα","","0.1095","0.1005","","","0.2436","0.2484","","","","","","1.038","","","","has coordinates","295672","2024-10-29","23:49:12",""
"7717318","13.877","0.0001","13.538","0.0001","37.2607","0.0003","90","","97.286","0.001","90","","6943.53","0.09","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","123","","- C79 H58 Cl Cu N3 P3 -","- C79 H58 Cl Cu N3 P3 -","- C316 H232 Cl4 Cu4 N12 P12 -","4","1","","Chen, Zhun; Xu, Wei; Zhu, Rui-Qin; Liu, Li; Zhong, Xinxin; Zhou, Guijiang; Li, Fa-Bao; Qin, Hai-Mei","Heteroleptic Mononuclear Cu(I) Halide Complexes Containing Carbazolyl Substituted Phenyl Diphosphine and Monophosphine: Structures, Photophysical and Electroluminescent Properties","Dalton Transactions","2024","","","","","10.1039/D4DT02469A","","x-ray","1.54184","CuKα","","0.042","0.0388","","","0.1033","0.1057","","","","","","1.02","","","","has coordinates","295672","2024-10-29","23:49:12",""
"7717319","10.0502","0.0001","14.4627","0.0002","24.4386","0.0003","106.002","0.001","95.281","0.001","97.943","0.001","3350.08","0.07","199.99","0.1","199.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C75 H59 Cl7 Cu N2 P3 -","- C75 H59 Cl7 Cu N2 P3 -","- C150 H118 Cl14 Cu2 N4 P6 -","2","1","","Chen, Zhun; Xu, Wei; Zhu, Rui-Qin; Liu, Li; Zhong, Xinxin; Zhou, Guijiang; Li, Fa-Bao; Qin, Hai-Mei","Heteroleptic Mononuclear Cu(I) Halide Complexes Containing Carbazolyl Substituted Phenyl Diphosphine and Monophosphine: Structures, Photophysical and Electroluminescent Properties","Dalton Transactions","2024","","","","","10.1039/D4DT02469A","","x-ray","1.54184","CuKα","","0.088","0.0818","","","0.2272","0.2362","","","","","","1.101","","","","has coordinates","295672","2024-10-29","23:49:12",""
"7717320","10.3105","0.0001","16.2735","0.0001","37.9409","0.0002","90","","94.032","0.001","90","","6350.27","0.08","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73 H55 Br Cl2 Cu N2 P3 -","- C73 H55 Br Cl2 Cu N2 P3 -","- C292 H220 Br4 Cl8 Cu4 N8 P12 -","4","1","","Chen, Zhun; Xu, Wei; Zhu, Rui-Qin; Liu, Li; Zhong, Xinxin; Zhou, Guijiang; Li, Fa-Bao; Qin, Hai-Mei","Heteroleptic Mononuclear Cu(I) Halide Complexes Containing Carbazolyl Substituted Phenyl Diphosphine and Monophosphine: Structures, Photophysical and Electroluminescent Properties","Dalton Transactions","2024","","","","","10.1039/D4DT02469A","","x-ray","1.54184","CuKα","","0.0387","0.0359","","","0.0922","0.0941","","","","","","1.046","","","","has coordinates","295672","2024-10-29","23:49:12",""
"7717321","10.3553","0.0001","16.0837","0.0003","24.9522","0.0002","97.815","0.001","100.975","0.001","97.991","0.001","3983.4","0.09","293","","293","","","","","","","","","6","P -1","-P 1","2","","0.11","","- C86 H63 Br Cu N4 P3 -","- C86 H63 Br Cu N4 P3 -","- C172 H126 Br2 Cu2 N8 P6 -","2","1","","Chen, Zhun; Xu, Wei; Zhu, Rui-Qin; Liu, Li; Zhong, Xinxin; Zhou, Guijiang; Li, Fa-Bao; Qin, Hai-Mei","Heteroleptic Mononuclear Cu(I) Halide Complexes Containing Carbazolyl Substituted Phenyl Diphosphine and Monophosphine: Structures, Photophysical and Electroluminescent Properties","Dalton Transactions","2024","","","","","10.1039/D4DT02469A","","x-ray","1.54184","CuKα","","0.0518","0.0454","","","0.1326","0.1374","","","","","","1.063","","","","has coordinates","295672","2024-10-29","23:49:13",""
"7717322","10.3873","0.0001","15.8741","0.0002","24.5313","0.0003","98.94","0.001","100.936","0.001","97.501","0.001","3869.47","0.08","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C87 H65 Cl2 Cu I N4 P3 -","- C87 H65 Cl2 Cu I N4 P3 -","- C174 H130 Cl4 Cu2 I2 N8 P6 -","2","1","","Chen, Zhun; Xu, Wei; Zhu, Rui-Qin; Liu, Li; Zhong, Xinxin; Zhou, Guijiang; Li, Fa-Bao; Qin, Hai-Mei","Heteroleptic Mononuclear Cu(I) Halide Complexes Containing Carbazolyl Substituted Phenyl Diphosphine and Monophosphine: Structures, Photophysical and Electroluminescent Properties","Dalton Transactions","2024","","","","","10.1039/D4DT02469A","","x-ray","1.54184","CuKα","","0.0645","0.0596","","","0.162","0.1665","","","","","","1.042","","","","has coordinates","295672","2024-10-29","23:49:13",""
"7717323","5.4142","0.0004","4.9471","0.0004","12.0437","0.0011","90","","99.603","0.003","90","","318.07","0.05","295","2","295","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- O4 Pb Te -","- O4 Pb Te -","- O16 Pb4 Te4 -","4","0.5","","Hladik, Michael; Penz, Armin; Purtscher, Felix Rainer Serafin; Hofer, Thomas; Heymann, Gunter; Weil, Matthias","High-pressure synthesis and crystal structure analysis of PbTeO4, a UV transparent material","Dalton Transactions","2024","","","","","10.1039/D4DT02697G","","","0.71073","MoKα","","0.0484","0.0259","","","0.0349","0.0392","","","","","","1.051","","","","has coordinates","295699","2024-10-31","23:45:17",""
"7717324","14.3491","0.0009","23.3241","0.0013","15.1101","0.001","90","","95.082","0.002","90","","5037.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H27 Co Eu F30 O15 -","- C35 H27 Co Eu F30 O15 -","- C140 H108 Co4 Eu4 F120 O60 -","4","1","","Bombaci, Matteo; Lo Presti, Francesca; Pellegrino, Anna Lucia; Lippi, Martina; Rossi, Patrizia; Tacconi, Leonardo; Sorace, Lorenzo; Malandrino, Graziella","Bifunctional heterobimetallic 3d-4f [Co(II)-RE, RE = Dy, Eu, Y] ionic complexes: modulation of the magnetic-luminescent behaviour","Dalton Transactions","2024","","","","","10.1039/D4DT01693A","","","0.71073","MoKα","","0.0535","0.0359","","","0.0796","0.0893","","","","","","1.035","","","","has coordinates","295700","2024-10-31","23:45:50",""
"7717325","14.2628","0.0005","23.3033","0.0008","15.0829","0.0006","90","","94.967","0.001","90","","4994.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H27 Co F30 O15 Y -","- C35 H27 Co F30 O15 Y -","- C140 H108 Co4 F120 O60 Y4 -","4","1","","Bombaci, Matteo; Lo Presti, Francesca; Pellegrino, Anna Lucia; Lippi, Martina; Rossi, Patrizia; Tacconi, Leonardo; Sorace, Lorenzo; Malandrino, Graziella","Bifunctional heterobimetallic 3d-4f [Co(II)-RE, RE = Dy, Eu, Y] ionic complexes: modulation of the magnetic-luminescent behaviour","Dalton Transactions","2024","","","","","10.1039/D4DT01693A","","","0.71073","MoKα","","0.11","0.0551","","","0.1242","0.1646","","","","","","0.819","","","","has coordinates,has disorder","295700","2024-10-31","23:45:51",""
"7717326","14.3716","0.0011","16.5888","0.001","14.719","0.0012","90","","117.34","0.006","90","","3117.1","0.4","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","JH-13","","- C33 H19 F6 Mo O6 P -","- C33 H19 F6 Mo O6 P -","- C132 H76 F24 Mo4 O24 P4 -","4","1","","Volk, Niklas; García Alcaraz, Antonio; Balasubramaniam, Selvakumar; Heumann, Jannik; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, R.","Oxaphosphiranes: isolable phosphorus-containing epoxide rings","Dalton Transactions","2024","","","","","10.1039/D4DT02915A","","","0.71073","MoKα","","0.1269","0.0631","","","0.1141","0.1344","","","","","","0.926","","","","has coordinates","295701","2024-10-31","23:46:31",""
"7717327","19.072","0.0012","9.5515","0.0004","16.6957","0.0009","90","","113.453","0.004","90","","2790.1","0.3","123","","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","NV-445","","- C31 H19 F2 O6 P W -","- C31 H19 F2 O6 P W -","- C124 H76 F8 O24 P4 W4 -","4","1","","Volk, Niklas; García Alcaraz, Antonio; Balasubramaniam, Selvakumar; Heumann, Jannik; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, R.","Oxaphosphiranes: isolable phosphorus-containing epoxide rings","Dalton Transactions","2024","","","","","10.1039/D4DT02915A","","","0.71073","MoKα","","0.0795","0.0377","","","0.06","0.0654","","","","","","0.756","","","","has coordinates","295701","2024-10-31","23:46:31",""
"7717328","9.9779","0.0006","10.583","0.0006","12.6438","0.0007","109.434","0.004","102.726","0.005","98.471","0.005","1192.3","0.13","123","","123","","","","","","","","","6","P -1","-P 1","2","","NV-515","","- C27 H23 Cl2 F2 O2 P -","- C27 H23 Cl2 F2 O2 P -","- C54 H46 Cl4 F4 O4 P2 -","2","1","","Volk, Niklas; García Alcaraz, Antonio; Balasubramaniam, Selvakumar; Heumann, Jannik; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, R.","Oxaphosphiranes: isolable phosphorus-containing epoxide rings","Dalton Transactions","2024","","","","","10.1039/D4DT02915A","","","0.71073","MoKα","","0.0633","0.0369","","","0.0821","0.0868","","","","","","0.865","","","","has coordinates","295701","2024-10-31","23:46:32",""
"7717329","9.3149","0.0003","22.2032","0.0009","13.955","0.0006","90","","97.581","0.002","90","","2860.95","0.19","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","SB-66","","- C31 H28 N2 O5 P W -","- C31 H28 N2 O5 P W -","- C124 H112 N8 O20 P4 W4 -","4","1","","Volk, Niklas; García Alcaraz, Antonio; Balasubramaniam, Selvakumar; Heumann, Jannik; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, R.","Oxaphosphiranes: isolable phosphorus-containing epoxide rings","Dalton Transactions","2024","","","","","10.1039/D4DT02915A","","x-ray","0.71073","MoKα","","0.0167","0.0157","","","0.0382","0.0387","","","","","","1.056","","","","has coordinates","295701","2024-10-31","23:46:32",""
"7717330","7.5272","0.0004","15.991","0.0007","19.2662","0.0008","90","","90","","90","","2319.02","0.19","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","NV-506","","- C28 H19 F6 O P -","- C28 H19 F6 O P -","- C112 H76 F24 O4 P4 -","4","1","","Volk, Niklas; García Alcaraz, Antonio; Balasubramaniam, Selvakumar; Heumann, Jannik; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, R.","Oxaphosphiranes: isolable phosphorus-containing epoxide rings","Dalton Transactions","2024","","","","","10.1039/D4DT02915A","","","0.71073","MoKα","","0.0699","0.0535","","","0.1303","0.1351","","","","","","0.96","","","","has coordinates","295701","2024-10-31","23:46:32",""
"7717331","10.974","0.0014","11.1322","0.0014","19.511","0.003","105.308","0.004","97.164","0.004","91.535","0.003","2276.6","0.5","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H68 Li2 O5 P2 -","- C48 H68 Li2 O5 P2 -","- C96 H136 Li4 O10 P4 -","2","1","","Fener, Benjamin; Schüler, Philipp; Liebing, Phil; Görls, Helmar; Westerhausen, Matthias","Syntheses and Structures of Dimesitylphosphinite Complexes of the Alkali Metals as well as Their Catalytic Activity in Hydro-phosphorylation Reactions","Dalton Transactions","2024","","","","","10.1039/D4DT02721C","","x-ray","0.71073","MoKα","","0.0893","0.0509","","","0.1167","0.1368","","","","","","1.029","","","","has coordinates,has disorder","295702","2024-10-31","23:49:22",""
"7717332","24.063","0.004","11.907","0.002","13.782","0.002","90","","92.821","0.005","90","","3944","1.1","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H52 O3 P2 Rb2 -","- C40 H52 O3 P2 Rb2 -","- C160 H208 O12 P8 Rb8 -","4","0.5","","Fener, Benjamin; Schüler, Philipp; Liebing, Phil; Görls, Helmar; Westerhausen, Matthias","Syntheses and Structures of Dimesitylphosphinite Complexes of the Alkali Metals as well as Their Catalytic Activity in Hydro-phosphorylation Reactions","Dalton Transactions","2024","","","","","10.1039/D4DT02721C","","x-ray","0.71073","MoKα","","0.0519","0.0323","","","0.0681","0.0761","","","","","","1.034","","","","has coordinates","295702","2024-10-31","23:49:23",""
"7717333","19.3077","0.0017","24.744","0.002","19.1812","0.0017","90","","90.732","0.004","90","","9163.1","1.4","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C88 H120 K4 O8 P4 -","- C88 H120 K4 O8 P4 -","- C352 H480 K16 O32 P16 -","4","0.5","","Fener, Benjamin; Schüler, Philipp; Liebing, Phil; Görls, Helmar; Westerhausen, Matthias","Syntheses and Structures of Dimesitylphosphinite Complexes of the Alkali Metals as well as Their Catalytic Activity in Hydro-phosphorylation Reactions","Dalton Transactions","2024","","","","","10.1039/D4DT02721C","","x-ray","0.71073","MoKα","","0.0697","0.046","","","0.1056","0.1188","","","","","","1.021","","","","has coordinates,has disorder","295702","2024-10-31","23:49:23",""
"7717334","11.8451","0.0002","19.0701","0.0003","24.4414","0.0003","90","","97.814","0.001","90","","5469.74","0.14","133","2","133","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C52 H80 K2 O10 P2 -","- C52 H80 K2 O10 P2 -","- C208 H320 K8 O40 P8 -","4","2","","Fener, Benjamin; Schüler, Philipp; Liebing, Phil; Görls, Helmar; Westerhausen, Matthias","Syntheses and Structures of Dimesitylphosphinite Complexes of the Alkali Metals as well as Their Catalytic Activity in Hydro-phosphorylation Reactions","Dalton Transactions","2024","","","","","10.1039/D4DT02721C","","","0.71073","MoKα","","0.0945","0.0702","","","0.1324","0.1461","","","","","","1.023","","","","has coordinates","295702","2024-10-31","23:49:23",""
"7717335","14.5018","0.0006","17.0309","0.0007","21.3573","0.0007","90","","107.955","0.002","90","","5017.9","0.3","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H72 K2 O8 P2 -","- C48 H72 K2 O8 P2 -","- C192 H288 K8 O32 P8 -","4","1","","Fener, Benjamin; Schüler, Philipp; Liebing, Phil; Görls, Helmar; Westerhausen, Matthias","Syntheses and Structures of Dimesitylphosphinite Complexes of the Alkali Metals as well as Their Catalytic Activity in Hydro-phosphorylation Reactions","Dalton Transactions","2024","","","","","10.1039/D4DT02721C","","","0.71073","MoKα","","0.1019","0.0753","","","0.1442","0.1564","","","","","","1.177","","","","has coordinates","295702","2024-10-31","23:49:24",""
"7717336","16.0585","0.0002","20.2473","0.0003","28.3626","0.0003","90","","104.325","0.001","90","","8935.1","0.2","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C172 H234 K8 O16 P8 -","- C172 H234 K8 O16 P8 -","- C344 H468 K16 O32 P16 -","2","0.5","","Fener, Benjamin; Schüler, Philipp; Liebing, Phil; Görls, Helmar; Westerhausen, Matthias","Syntheses and Structures of Dimesitylphosphinite Complexes of the Alkali Metals as well as Their Catalytic Activity in Hydro-phosphorylation Reactions","Dalton Transactions","2024","","","","","10.1039/D4DT02721C","","","0.71073","MoKα","","0.1179","0.0727","","","0.1498","0.1688","","","","","","1.073","","","","has coordinates,has disorder","295702","2024-10-31","23:49:24",""
"7717337","27.4273","0.0003","14.1933","0.0002","28.3869","0.0004","90","","112.674","0.001","90","","10196.5","0.2","133","2","133.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C112 H124 K4 O10 P4 -","- C112 H124 K4 O10 P4 -","- C448 H496 K16 O40 P16 -","4","0.5","","Fener, Benjamin; Schüler, Philipp; Liebing, Phil; Görls, Helmar; Westerhausen, Matthias","Syntheses and Structures of Dimesitylphosphinite Complexes of the Alkali Metals as well as Their Catalytic Activity in Hydro-phosphorylation Reactions","Dalton Transactions","2024","","","","","10.1039/D4DT02721C","","","0.71073","MoKα","","0.0707","0.055","","","0.1332","0.1445","","","","","","1.072","","","","has coordinates,has disorder","295702","2024-10-31","23:49:24",""
"7717338","11.8363","0.0018","12.7037","0.0018","14.054","0.002","97.812","0.004","110.737","0.004","96.31","0.004","1929.3","0.5","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C76 H124 K2 O6 P2 -","- C76 H124 K2 O6 P2 -","- C76 H124 K2 O6 P2 -","1","0.5","","Fener, Benjamin; Schüler, Philipp; Liebing, Phil; Görls, Helmar; Westerhausen, Matthias","Syntheses and Structures of Dimesitylphosphinite Complexes of the Alkali Metals as well as Their Catalytic Activity in Hydro-phosphorylation Reactions","Dalton Transactions","2024","","","","","10.1039/D4DT02721C","","x-ray","0.71073","MoKα","","0.106","0.0639","","","0.1162","0.1392","","","","","","1.054","","","","has coordinates,has disorder","295702","2024-10-31","23:49:24",""
"7717339","35.406","0.007","20.26","0.004","28.672","0.005","90","","127.598","0.004","90","","16296","5","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C75 H95 Cs4 O4 P4 -","- C75 H95 Cs4 O4 P4 -","- C600 H760 Cs32 O32 P32 -","8","1","","Fener, Benjamin; Schüler, Philipp; Liebing, Phil; Görls, Helmar; Westerhausen, Matthias","Syntheses and Structures of Dimesitylphosphinite Complexes of the Alkali Metals as well as Their Catalytic Activity in Hydro-phosphorylation Reactions","Dalton Transactions","2024","","","","","10.1039/D4DT02721C","","x-ray","0.71073","MoKα","","0.0787","0.042","","","0.0996","0.1176","","","","","","1.007","","","","has coordinates,has disorder","295702","2024-10-31","23:49:24",""
"7717340","14.6533","0.0012","16.0947","0.0014","19.4828","0.0016","73.051","0.002","81.312","0.003","68.517","0.002","4084.8","0.6","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C80 H102 K2 Mg O6 P4 -","- C80 H102 K2 Mg O6 P4 -","- C160 H204 K4 Mg2 O12 P8 -","2","1","","Fener, Benjamin; Schüler, Philipp; Liebing, Phil; Görls, Helmar; Westerhausen, Matthias","Syntheses and Structures of Dimesitylphosphinite Complexes of the Alkali Metals as well as Their Catalytic Activity in Hydro-phosphorylation Reactions","Dalton Transactions","2024","","","","","10.1039/D4DT02721C","","x-ray","0.71073","MoKα","","0.1161","0.0704","","","0.1446","0.1738","","","","","","1.026","","","","has coordinates,has disorder","295702","2024-10-31","23:49:24",""
"7717341","15.6316","0.0015","22.909","0.002","24.137","0.002","115.909","0.002","100.464","0.003","94.92","0.003","7511.1","1.2","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H88 K4 O4 P4 -","- C72 H88 K4 O4 P4 -","- C288 H352 K16 O16 P16 -","4","2","","Fener, Benjamin; Schüler, Philipp; Liebing, Phil; Görls, Helmar; Westerhausen, Matthias","Syntheses and Structures of Dimesitylphosphinite Complexes of the Alkali Metals as well as Their Catalytic Activity in Hydro-phosphorylation Reactions","Dalton Transactions","2024","","","","","10.1039/D4DT02721C","","","0.71073","MoKα","","0.0799","0.0479","","","0.1199","0.1396","","","","","","1.013","","","","has coordinates","295702","2024-10-31","23:49:24",""
"7717342","18.486","0.002","18.651","0.002","19.47","0.002","72.089","0.003","62.708","0.003","81.454","0.003","5676.3","1.1","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C90 H139 Cs2 O3 P3 -","- C90 H139 Cs2 O3 P3 -","- C180 H278 Cs4 O6 P6 -","2","1","","Fener, Benjamin; Schüler, Philipp; Liebing, Phil; Görls, Helmar; Westerhausen, Matthias","Syntheses and Structures of Dimesitylphosphinite Complexes of the Alkali Metals as well as Their Catalytic Activity in Hydro-phosphorylation Reactions","Dalton Transactions","2024","","","","","10.1039/D4DT02721C","","x-ray","0.71073","MoKα","","0.1356","0.0734","","","0.1784","0.2262","","","","","","1.002","","","","has coordinates,has disorder","295702","2024-10-31","23:49:25",""
"7717343","20.729","0.002","15.1741","0.0017","16.7183","0.0017","90","","102.606","0.004","90","","5131.9","0.9","120","","120","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C52 H76 Na2 O6 P2 -","- C52 H76 Na2 O6 P2 -","- C208 H304 Na8 O24 P8 -","4","2","","Fener, Benjamin; Schüler, Philipp; Liebing, Phil; Görls, Helmar; Westerhausen, Matthias","Syntheses and Structures of Dimesitylphosphinite Complexes of the Alkali Metals as well as Their Catalytic Activity in Hydro-phosphorylation Reactions","Dalton Transactions","2024","","","","","10.1039/D4DT02721C","","x-ray","0.71073","MoKα","","0.1137","0.0681","","","0.1305","0.1562","","","","","","1.106","","","","has coordinates,has disorder","295702","2024-10-31","23:49:25",""
"7717344","13.7831","0.0013","14.0866","0.0014","18.4745","0.0017","80.831","0.004","83.722","0.004","83.847","0.005","3505.1","0.6","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H92 O2 P2 Rb2 -","- C60 H92 O2 P2 Rb2 -","- C120 H184 O4 P4 Rb4 -","2","1","","Fener, Benjamin; Schüler, Philipp; Liebing, Phil; Görls, Helmar; Westerhausen, Matthias","Syntheses and Structures of Dimesitylphosphinite Complexes of the Alkali Metals as well as Their Catalytic Activity in Hydro-phosphorylation Reactions","Dalton Transactions","2024","","","","","10.1039/D4DT02721C","","x-ray","0.71073","MoKα","","0.116","0.0646","","","0.1658","0.1888","","","","","","1.052","","","","has coordinates,has disorder","295702","2024-10-31","23:49:25",""
"7717345","12.1372","0.0002","19.6662","0.0003","12.7854","0.0002","90","","106.428","0.001","90","","2927.19","0.08","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H90 K2 N6 O2 P2 -","- C54 H90 K2 N6 O2 P2 -","- C108 H180 K4 N12 O4 P4 -","2","0.5","","Fener, Benjamin; Schüler, Philipp; Liebing, Phil; Görls, Helmar; Westerhausen, Matthias","Syntheses and Structures of Dimesitylphosphinite Complexes of the Alkali Metals as well as Their Catalytic Activity in Hydro-phosphorylation Reactions","Dalton Transactions","2024","","","","","10.1039/D4DT02721C","","","0.71073","MoKα","","0.0464","0.0413","","","0.1048","0.1084","","","","","","1.039","","","","has coordinates","295702","2024-10-31","23:49:25",""
"7717346","12.4093","0.0015","62.066","0.008","17.263","0.002","90","","105.933","0.004","90","","12785","3","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C102 H174 K8 N4 O7 P4 Si8 -","- C102 H174 K8 N4 O7 P4 Si8 -","- C408 H696 K32 N16 O28 P16 Si32 -","4","1","","Fener, Benjamin; Schüler, Philipp; Liebing, Phil; Görls, Helmar; Westerhausen, Matthias","Syntheses and Structures of Dimesitylphosphinite Complexes of the Alkali Metals as well as Their Catalytic Activity in Hydro-phosphorylation Reactions","Dalton Transactions","2024","","","","","10.1039/D4DT02721C","","x-ray","0.71073","MoKα","","0.1238","0.0854","","","0.1652","0.1778","","","","","","1.113","","","","has coordinates,has disorder","295702","2024-10-31","23:49:25",""
"7717347","21.473","0.003","25.935","0.003","10.4545","0.0019","90","","90","","90","","5822.1","1.5","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C56 H48 N4 O24 Zn5 -","- C56 H48 N4 O24 Zn5 -","- C224 H192 N16 O96 Zn20 -","4","0.25","","Xie, Hui-Hui; Yu, Hao; Xu, Xuling; Tang, Sifu","Rational Fabrication of Anionic Zinc Carboxylate Framework as Fluorescent Probe of 2,6-Pyridinedicarboxylic Acid","Dalton Transactions","2024","","","","","10.1039/D4DT02529F","","","0.71073","MoKα","","0.0858","0.0659","","","0.1683","0.1861","","","","","","1.039","","","","has coordinates","295703","2024-10-31","23:50:20",""
"7717348","9.0051","0.0003","11.6133","0.0003","17.4351","0.0005","72.367","0.001","81.162","0.001","82.418","0.001","1709.97","0.09","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H29 Eu N2 O8 -","- C42 H29 Eu N2 O8 -","- C84 H58 Eu2 N4 O16 -","2","1","","Lu, Rongdeng; Huang, Tinghui; Goloveshkin, Alexander; Kopytov, Dmitry; Orekhova, Kseniya; Khanbekov, Ivan; Utochnikova, Valentina V.","What is the key factor affecting the cathodoluminescence intensity of europium complexes?","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18104","18109","10.1039/d4dt02501f","","","0.71073","MoKα","","0.0373","0.0291","","","0.0563","0.0574","","","","","","1.023","","","","has coordinates","296597","2024-12-06","19:07:29",""
"7717349","21.3386","0.0003","10.7908","0.0002","20.246","0.0003","90","","90","","90","","4661.86","0.13","100","0.1","100","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C10 H32 B18 Co N3 -","- C10 H32 B18 Co N3 -","- C80 H256 B144 Co8 N24 -","8","1","","Tüzün, Ece Zeynep; Hnyk, Drahomír; Bavol, Dmytro; Litecká, Miroslava; Fanfrlík, Jindřich; Grűner, Bohumír","Modification of cobalt bis(dicarbollide) ions with nitrile groups on carbon atoms: a unique low-temperature skeletal rearrangement due to the specific electron-donor character of CN substitution.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18462","18466","10.1039/d4dt02588a","","x-ray","1.54184","CuKα","","0.0463","0.0438","","","0.1264","0.1283","","","","","","1.066","","","","has coordinates","296564","2024-12-06","18:52:02",""
"7717350","20.7855","0.0003","19.9491","0.0003","11.25789","0.00016","90","","90","","90","","4668.11","0.12","100","0.1","100","0.1","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C10 H32 B18 Co N3 -","- C10 H32 B18 Co N3 -","- C80 H256 B144 Co8 N24 -","8","1","","Tüzün, Ece Zeynep; Hnyk, Drahomír; Bavol, Dmytro; Litecká, Miroslava; Fanfrlík, Jindřich; Grűner, Bohumír","Modification of cobalt bis(dicarbollide) ions with nitrile groups on carbon atoms: a unique low-temperature skeletal rearrangement due to the specific electron-donor character of CN substitution.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18462","18466","10.1039/d4dt02588a","","x-ray","1.54184","CuKα","","0.0493","0.0473","","","0.1312","0.1344","","","","","","1.072","","","","has coordinates,has disorder","296564","2024-12-06","18:52:13",""
"7717351","18.2951","0.0005","8.766","0.0003","19.481","0.0006","90","","91.9571","0.0005","90","","3122.44","0.17","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 D6 N6 Ni O5 S -","- C34 H30 D6 N6 Ni O5 S -","- C136 H120 D24 N24 Ni4 O20 S4 -","4","1","","Payong, Jae Elise L.; Léonard, Nadia G; Anderson-Sanchez, Lauren M; Ziller, Joseph W.; Yang, Jenny Y.","Synthesis and anion binding properties of (thio)urea functionalized Ni(II)-salen complexes.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02683g","","","0.71073","MoKα","","0.027","0.0248","","","0.0687","0.0701","","","","","","1.034","","","","has coordinates","295729","2024-11-02","23:43:37",""
"7717352","23.663","0.003","7.1548","0.0008","25.033","0.003","90","","113.969","0.0017","90","","3872.7","0.8","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H50 N6 Ni O8 -","- C40 H50 N6 Ni O8 -","- C160 H200 N24 Ni4 O32 -","4","1","","Payong, Jae Elise L.; Léonard, Nadia G; Anderson-Sanchez, Lauren M; Ziller, Joseph W.; Yang, Jenny Y.","Synthesis and anion binding properties of (thio)urea functionalized Ni(II)-salen complexes.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02683g","","","0.71073","MoKα","","0.0727","0.0488","","","0.1051","0.1154","","","","","","1.054","","","","has coordinates","295729","2024-11-02","23:44:03",""
"7717353","11.4188","0.0009","15.6518","0.0013","25.611","0.002","97.4909","0.0014","100.716","0.0014","104.649","0.0014","4274.9","0.6","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H120 Cl N13 Ni2 O11 -","- C92 H120 Cl N13 Ni2 O11 -","- C184 H240 Cl2 N26 Ni4 O22 -","2","1","","Payong, Jae Elise L.; Léonard, Nadia G; Anderson-Sanchez, Lauren M; Ziller, Joseph W.; Yang, Jenny Y.","Synthesis and anion binding properties of (thio)urea functionalized Ni(II)-salen complexes.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02683g","","","0.71073","MoKα","","0.0616","0.0519","","","0.131","0.1368","","","","","","1.063","","","","has coordinates,has disorder","295729","2024-11-02","23:44:07",""
"7717354","11.6","0.001","16.475","0.0015","21.5479","0.0019","72.4119","0.0014","88.146","0.0015","71.8599","0.0015","3721.7","0.6","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C26.83 H28 N4 Ni O3.5 -","- C26.8333 H28 N4 Ni O3.5 -","- C161 H168 N24 Ni6 O21 -","6","3","","Payong, Jae Elise L.; Léonard, Nadia G; Anderson-Sanchez, Lauren M; Ziller, Joseph W.; Yang, Jenny Y.","Synthesis and anion binding properties of (thio)urea functionalized Ni(II)-salen complexes.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02683g","","","0.71073","MoKα","","0.076","0.0501","","","0.1261","0.1397","","","","","","1.021","","","","has coordinates,has disorder","295729","2024-11-02","23:44:12",""
"7717355","13.4469","0.0004","14.7117","0.0005","18.4767","0.0007","79.477","0.002","86.598","0.002","88.997","0.002","3587.3","0.2","93.15","","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C35.2 H39.6 N6 Ni O3.6 S3.6 -","- C34 H36 N6 Ni O3 S3 -","- C136 H144 N24 Ni4 O12 S12 -","4","2","","Payong, Jae Elise L.; Léonard, Nadia G; Anderson-Sanchez, Lauren M; Ziller, Joseph W.; Yang, Jenny Y.","Synthesis and anion binding properties of (thio)urea functionalized Ni(II)-salen complexes.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02683g","","","1.54178","CuKα","","0.0905","0.0742","","","0.1888","0.2016","","","","","","1.024","","","","has coordinates,has disorder","295729","2024-11-02","23:44:18",""
"7717356","9.324","0.0016","11.1134","0.0018","23.386","0.004","81.921","0.005","85.646","0.005","86.098","0.005","2388.3","0.7","153","","153","","","","","","","","","6","P 1","P 1","1","","","","- C50 H58 Mo N4 O2 S -","- C50 H58 Mo N4 O2 S -","- C100 H116 Mo2 N8 O4 S2 -","2","2","","Leitner, Daniel; Neururer, Florian Rochus; Hohloch, Stephan","Synthesis and Electrochemical Properties of Molybdenum Nitrido Complexes Supported by Redox-Active NHC and MIC Ligands","Dalton Transactions","2024","","","","","10.1039/D4DT02405B","","","0.71073","MoKα","","0.0714","0.0625","","","0.1559","0.1622","","","","","","1.042","","","","has coordinates","295730","2024-11-02","23:48:39",""
"7717357","5.8275","0.0012","19.533","0.004","31.857","0.007","90","","90","","90","","3626.2","1.3","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H53 Mo N3 O3 -","- C39 H53 Mo N3 O3 -","- C156 H212 Mo4 N12 O12 -","4","1","","Leitner, Daniel; Neururer, Florian Rochus; Hohloch, Stephan","Synthesis and Electrochemical Properties of Molybdenum Nitrido Complexes Supported by Redox-Active NHC and MIC Ligands","Dalton Transactions","2024","","","","","10.1039/D4DT02405B","","","0.71073","MoKα","","0.1378","0.0673","","","0.1204","0.1459","","","","","","0.985","","","","has coordinates","295730","2024-11-02","23:48:50",""
"7717358","33.202","0.004","13.0643","0.001","18.5211","0.0017","90","","93.051","0.003","90","","8022.3","1.4","153","","153","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H55 Mo N3 O3 -","- C44 H55 Mo N3 O3 -","- C352 H440 Mo8 N24 O24 -","8","1","","Leitner, Daniel; Neururer, Florian Rochus; Hohloch, Stephan","Synthesis and Electrochemical Properties of Molybdenum Nitrido Complexes Supported by Redox-Active NHC and MIC Ligands","Dalton Transactions","2024","","","","","10.1039/D4DT02405B","","","0.71073","MoKα","","0.0932","0.054","","","0.1122","0.136","","","","","","1.019","","","","has coordinates,has disorder","295730","2024-11-02","23:48:53",""
"7717359","23.4925","0.0019","9.8772","0.0009","20.6824","0.0015","90","","90","","90","","4799.1","0.7","153","","153","","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C45.4 H58 F9 Mo N3 O4.6 -","- C43 H52 F9 Mo N3 O4 -","- C172 H208 F36 Mo4 N12 O16 -","4","0.5","","Leitner, Daniel; Neururer, Florian Rochus; Hohloch, Stephan","Synthesis and Electrochemical Properties of Molybdenum Nitrido Complexes Supported by Redox-Active NHC and MIC Ligands","Dalton Transactions","2024","","","","","10.1039/D4DT02405B","","","0.71073","MoKα","","0.0726","0.0543","","","0.1547","0.1706","","","","","","1.057","","","","has coordinates,has disorder","295730","2024-11-02","23:49:01",""
"7717360","16.754","0.002","17.595","0.002","18.362","0.002","65.177","0.005","68.89","0.005","81.949","0.005","4582.7","0.9","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H68 Mo N4 O2 S -","- C43 H61 Mo N4 O2 S -","- C172 H244 Mo4 N16 O8 S4 -","4","2","","Leitner, Daniel; Neururer, Florian Rochus; Hohloch, Stephan","Synthesis and Electrochemical Properties of Molybdenum Nitrido Complexes Supported by Redox-Active NHC and MIC Ligands","Dalton Transactions","2024","","","","","10.1039/D4DT02405B","","","0.71073","MoKα","","0.1471","0.068","","","0.1481","0.1828","","","","","","0.958","","","","has coordinates","295730","2024-11-02","23:49:04",""
"7717361","10.0665","0.001","10.944","0.0011","30.514","0.003","90.214","0.004","97.829","0.004","94.02","0.004","3321.8","0.6","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C67.25 H92 Cl2 Mo2 N6 O4 -","- C67.25 H92 Cl2 Mo2 N6 O4 -","- C134.5 H184 Cl4 Mo4 N12 O8 -","2","1","","Leitner, Daniel; Neururer, Florian Rochus; Hohloch, Stephan","Synthesis and Electrochemical Properties of Molybdenum Nitrido Complexes Supported by Redox-Active NHC and MIC Ligands","Dalton Transactions","2024","","","","","10.1039/D4DT02405B","","","0.71073","MoKα","","0.0822","0.0776","","","0.1981","0.2007","","","","","","1.138","","","","has coordinates,has disorder","295730","2024-11-02","23:49:12",""
"7717362","13.0612","0.0017","16.0524","0.0018","18.038","0.002","103.777","0.006","100.008","0.006","104.777","0.006","3439.1","0.7","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C72.4 H94 Cl2 Mo2 N4 O4.6 -","- C70 H88 Cl2 Mo2 N4 O4 -","- C140 H176 Cl4 Mo4 N8 O8 -","2","1","","Leitner, Daniel; Neururer, Florian Rochus; Hohloch, Stephan","Synthesis and Electrochemical Properties of Molybdenum Nitrido Complexes Supported by Redox-Active NHC and MIC Ligands","Dalton Transactions","2024","","","","","10.1039/D4DT02405B","","","0.71073","MoKα","","0.1481","0.0718","","","0.152","0.1879","","","","","","0.922","","","","has coordinates","295730","2024-11-02","23:49:16",""
"7717363","19.5656","0.0005","15.4251","0.0004","19.5452","0.0005","90","","112.789","0.001","90","","5438.3","0.2","120","2","120","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C56 H76 Cl3 Co Mo N3 O2 -","- C56 H76 Cl3 Co Mo N3 O2 -","- C224 H304 Cl12 Co4 Mo4 N12 O8 -","4","1","","Leitner, Daniel; Neururer, Florian Rochus; Hohloch, Stephan","Synthesis and Electrochemical Properties of Molybdenum Nitrido Complexes Supported by Redox-Active NHC and MIC Ligands","Dalton Transactions","2024","","","","","10.1039/D4DT02405B","","","0.71073","MoKα","","0.0221","0.0212","","","0.0508","0.0516","","","","","","1.048","","","","has coordinates","295730","2024-11-02","23:49:18",""
"7717364","19.0492","0.0014","19.4669","0.0016","20.4769","0.0017","102.384","0.004","115.02","0.003","101.929","0.004","6330","0.9","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H54.33 Mo N4 O2 S -","- C35 H52 Mo N4 O2 S -","- C210 H312 Mo6 N24 O12 S6 -","6","3","","Leitner, Daniel; Neururer, Florian Rochus; Hohloch, Stephan","Synthesis and Electrochemical Properties of Molybdenum Nitrido Complexes Supported by Redox-Active NHC and MIC Ligands","Dalton Transactions","2024","","","","","10.1039/D4DT02405B","","","0.71073","MoKα","","0.1571","0.0716","","","0.1572","0.1946","","","","","","0.941","","","","has coordinates,has disorder","295730","2024-11-02","23:49:23",""
"7717365","5.9259","0.0003","19.4438","0.0007","31.0776","0.0013","90","","90","","90","","3580.8","0.3","173","","173","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C35 H52 Mo N4 O3 -","- C35 H51.5 Mo N4 O3 -","- C140 H206 Mo4 N16 O12 -","4","0.5","","Leitner, Daniel; Neururer, Florian Rochus; Hohloch, Stephan","Synthesis and Electrochemical Properties of Molybdenum Nitrido Complexes Supported by Redox-Active NHC and MIC Ligands","Dalton Transactions","2024","","","","","10.1039/D4DT02405B","","","0.71073","MoKα","","0.0351","0.0275","","","0.0634","0.0671","","","","","","1.067","","","","has coordinates,has disorder","295730","2024-11-02","23:49:27",""
"7717366","12.3406","0.0006","13.6168","0.0007","15.6475","0.0009","95.467","0.002","107.91","0.002","109.9","0.002","2293.1","0.2","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C49 H63 Mo N4 O3 -","- C49 H63 Mo N4 O3 -","- C98 H126 Mo2 N8 O6 -","2","1","","Leitner, Daniel; Neururer, Florian Rochus; Hohloch, Stephan","Synthesis and Electrochemical Properties of Molybdenum Nitrido Complexes Supported by Redox-Active NHC and MIC Ligands","Dalton Transactions","2024","","","","","10.1039/D4DT02405B","","","0.71073","MoKα","","0.0552","0.0432","","","0.1015","0.1114","","","","","","1.04","","","","has coordinates","295730","2024-11-02","23:49:29",""
"7717367","16.7763","0.001","10.5017","0.0006","28.0439","0.0018","90","","96.409","0.002","90","","4909.9","0.5","153","","153","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42.6 H60 F9 Mo N4 O4.9 -","- C39 H51 F9 Mo N4 O4 -","- C156 H204 F36 Mo4 N16 O16 -","4","1","","Leitner, Daniel; Neururer, Florian Rochus; Hohloch, Stephan","Synthesis and Electrochemical Properties of Molybdenum Nitrido Complexes Supported by Redox-Active NHC and MIC Ligands","Dalton Transactions","2024","","","","","10.1039/D4DT02405B","","","0.71073","MoKα","","0.0679","0.0492","","","0.1286","0.1407","","","","","","1.044","","","","has coordinates,has disorder","295730","2024-11-02","23:49:32",""
"7717368","32.4454","0.0015","9.7068","0.0004","21.5529","0.0009","90","","90","","90","","6787.9","0.5","187","","187","","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C34 H46 Cl Mo N4 O2 -","- C34 H46 Cl Mo N4 O2 -","- C272 H368 Cl8 Mo8 N32 O16 -","8","0.5","","Leitner, Daniel; Neururer, Florian Rochus; Hohloch, Stephan","Synthesis and Electrochemical Properties of Molybdenum Nitrido Complexes Supported by Redox-Active NHC and MIC Ligands","Dalton Transactions","2024","","","","","10.1039/D4DT02405B","","","0.71073","MoKα","","0.0481","0.0377","","","0.0964","0.1021","","","","","","1.135","","","","has coordinates,has disorder","295730","2024-11-02","23:49:34",""
"7717369","11.2229","0.0008","18.4476","0.0014","51.454","0.004","90","","90","","90","","10652.8","1.4","153","","153","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C52 H75 Cl3 Co Mo N4 O2 -","- C52 H75 Cl3 Co Mo N4 O2 -","- C416 H600 Cl24 Co8 Mo8 N32 O16 -","8","1","","Leitner, Daniel; Neururer, Florian Rochus; Hohloch, Stephan","Synthesis and Electrochemical Properties of Molybdenum Nitrido Complexes Supported by Redox-Active NHC and MIC Ligands","Dalton Transactions","2024","","","","","10.1039/D4DT02405B","","","0.71073","MoKα","","0.0606","0.0437","","","0.0922","0.098","","","","","","1.082","","","","has coordinates,has disorder","295730","2024-11-02","23:49:39",""
"7717370","13.5078","0.0007","28.4083","0.0015","13.9736","0.0007","90","","95.292","0.002","90","","5339.3","0.5","153","","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H73.4 Mo N3 O3 -","- C54 H59 Mo N3 O3 -","- C216 H236 Mo4 N12 O12 -","4","1","","Leitner, Daniel; Neururer, Florian Rochus; Hohloch, Stephan","Synthesis and Electrochemical Properties of Molybdenum Nitrido Complexes Supported by Redox-Active NHC and MIC Ligands","Dalton Transactions","2024","","","","","10.1039/D4DT02405B","","","0.71073","MoKα","","0.0718","0.0544","","","0.1372","0.1457","","","","","","1.053","","","","has coordinates","295730","2024-11-02","23:49:44",""
"7717371","37.041","0.002","37.041","0.002","21.5515","0.0016","90","","90","","120","","25608","3","173","","173","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C49 H67 Mo N3 O2 S -","- C44 H55 Mo N3 O2 S -","- C792 H990 Mo18 N54 O36 S18 -","18","1","","Leitner, Daniel; Neururer, Florian Rochus; Hohloch, Stephan","Synthesis and Electrochemical Properties of Molybdenum Nitrido Complexes Supported by Redox-Active NHC and MIC Ligands","Dalton Transactions","2024","","","","","10.1039/D4DT02405B","","","0.71073","MoKα","","0.0788","0.0582","","","0.1571","0.1722","","","","","","0.998","","","","has coordinates,has disorder","295730","2024-11-02","23:49:48",""
"7717372","13.7921","0.0006","16.5408","0.0008","29.0621","0.0013","90","","90","","90","","6630","0.5","120","2","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H44 Cl Mo N3 O2 -","- C35 H44 Cl Mo N3 O2 -","- C280 H352 Cl8 Mo8 N24 O16 -","8","1","","Leitner, Daniel; Neururer, Florian Rochus; Hohloch, Stephan","Synthesis and Electrochemical Properties of Molybdenum Nitrido Complexes Supported by Redox-Active NHC and MIC Ligands","Dalton Transactions","2024","","","","","10.1039/D4DT02405B","","","0.71073","MoKα","","0.045","0.0311","","","0.0668","0.0774","","","","","","1.1","","","","has coordinates","295730","2024-11-02","23:49:53",""
"7717373","10.456","0.002","10.633","0.002","16.833","0.003","83.37","0.03","77.74","0.03","62.19","0.03","1617.3","0.7","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H30 B F6 N2 P3 -","- C34 H30 B F6 N2 P3 -","- C68 H60 B2 F12 N4 P6 -","2","1","","Wehmeyer, Frerk-Ulfert; Li, Yinwu; Schlossarek, Anne; Ke, Zhuofeng; Langer, Robert","Evidence for a boride–borylene-ligand-tautomerism leading to a remote C–C-bond and concomitant boryl ligand formation","Dalton Transactions","2024","","","","","10.1039/D4DT02997F","","","0.71073","MoKα","","0.0434","0.0366","","","0.0969","0.101","","","","","","1.042","","","","has coordinates","295731","2024-11-02","23:51:46",""
"7717374","10.859","0.002","9.874","0.002","33.638","0.007","90","","95.65","0.03","90","","3589.2","1.2","170","","170","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H29 B F6 N2 O2 P3 Rh -","- C36 H29 B F6 N2 O2 P3 Rh -","- C144 H116 B4 F24 N8 O8 P12 Rh4 -","4","1","","Wehmeyer, Frerk-Ulfert; Li, Yinwu; Schlossarek, Anne; Ke, Zhuofeng; Langer, Robert","Evidence for a boride–borylene-ligand-tautomerism leading to a remote C–C-bond and concomitant boryl ligand formation","Dalton Transactions","2024","","","","","10.1039/D4DT02997F","","","0.71073","MoKα","","0.0596","0.0513","","","0.1375","0.1468","","","","","","1.073","","","","has coordinates","295731","2024-11-02","23:51:57",""
"7717375","30.217","0.006","14.648","0.003","17.297","0.004","90","","118.6","0.03","90","","6722","3","170","","170","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 B N2 O2 P2 Rh -","- C36 H28 B N2 O2 P2 Rh -","- C288 H224 B8 N16 O16 P16 Rh8 -","8","1","","Wehmeyer, Frerk-Ulfert; Li, Yinwu; Schlossarek, Anne; Ke, Zhuofeng; Langer, Robert","Evidence for a boride–borylene-ligand-tautomerism leading to a remote C–C-bond and concomitant boryl ligand formation","Dalton Transactions","2024","","","","","10.1039/D4DT02997F","","","0.71073","MoKα","","0.0252","0.0217","","","0.0555","0.0572","","","","","","1.035","","","","has coordinates","295731","2024-11-02","23:51:59",""
"7717376","14.6782","0.0002","16.9971","0.0002","18.3318","0.0002","90","","91.987","0.001","90","","4570.79","0.1","120","0.7","120","0.7","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[UO2(HL)]2","","","- C86 H112 N12 O4 U2 -","- C86 H112 N12 O4 U2 -","- C172 H224 N24 O8 U4 -","2","0.5","","Obey, Tom J. N.; Nichol, Gary S.; Love, Jason B.","Controlled and sequential single-electron reduction of the uranyl dication.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16229","16240","10.1039/d4dt02367f","","x-ray","0.71073","MoKα","","0.0345","0.0239","","","0.0504","0.0538","","","","","","1.017","","","","has coordinates","295760","2024-11-04","20:29:07",""
"7717377","11.5408","0.0007","11.7266","0.0006","15.0732","0.0007","81.684","0.004","84.377","0.004","75.615","0.005","1951.09","0.19","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H56 N6 O3 U -","- C40 H56 N6 O3 U -","- C80 H112 N12 O6 U2 -","2","1","","Obey, Tom J. N.; Nichol, Gary S.; Love, Jason B.","Controlled and sequential single-electron reduction of the uranyl dication.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16229","16240","10.1039/d4dt02367f","","x-ray","0.71073","MoKα","","0.0515","0.0393","","","0.098","0.1002","","","","","","0.992","","","","has coordinates","295760","2024-11-04","20:29:08",""
"7717378","11.3701","0.0003","11.9785","0.0005","14.9463","0.0004","83.518","0.003","85.015","0.002","75.569","0.003","1955.15","0.11","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C41 H53 N7 O2 U -","- C41 H53 N7 O2 U -","- C82 H106 N14 O4 U2 -","2","1","","Obey, Tom J. N.; Nichol, Gary S.; Love, Jason B.","Controlled and sequential single-electron reduction of the uranyl dication.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16229","16240","10.1039/d4dt02367f","","x-ray","0.71073","MoKα","","0.0504","0.0375","","","0.0837","0.09","","","","","","1.068","","","","has coordinates,has disorder","295760","2024-11-04","20:29:09",""
"7717379","15.3299","0.0004","16.2642","0.0004","21.1749","0.0004","74.514","0.002","87.911","0.002","82.799","0.002","5047.7","0.2","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C80 H110 N12 O6 U2 Y2 -","- C80 H110 N12 O6 U2 Y2 -","- C160 H220 N24 O12 U4 Y4 -","2","1","","Obey, Tom J. N.; Nichol, Gary S.; Love, Jason B.","Controlled and sequential single-electron reduction of the uranyl dication.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16229","16240","10.1039/d4dt02367f","","x-ray","1.54178","CuKα","","0.0723","0.0576","","","0.134","0.1457","","","","","","1.072","","","","has coordinates,has disorder","295760","2024-11-04","20:29:09",""
"7717380","18.322","0.0007","13.2763","0.0004","20.5072","0.0009","90","","108.143","0.004","90","","4740.3","0.3","119.99","0.11","119.99","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H62 Li N9 O2 U -","- C51 H62 Li N9 O2 U -","- C204 H248 Li4 N36 O8 U4 -","4","1","","Obey, Tom J. N.; Nichol, Gary S.; Love, Jason B.","Controlled and sequential single-electron reduction of the uranyl dication.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16229","16240","10.1039/d4dt02367f","","x-ray","0.71073","MoKα","","0.0611","0.0399","","","0.0594","0.0641","","","","","","1.033","","","","has coordinates","295760","2024-11-04","20:29:09",""
"7717381","17.5882","0.0007","17.0832","0.0004","17.6031","0.0005","90","","104.739","0.004","90","","5115","0.3","120","0.1","120","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C107 H129 Cl2 Dy2 N19 O4 U2 -","- C107 H129 Cl2 Dy2 N19 O4 U2 -","- C214 H258 Cl4 Dy4 N38 O8 U4 -","2","0.5","","Obey, Tom J. N.; Nichol, Gary S.; Love, Jason B.","Controlled and sequential single-electron reduction of the uranyl dication.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16229","16240","10.1039/d4dt02367f","","x-ray","0.71073","MoKα","","0.0796","0.0514","","","0.1179","0.1359","","","","","","1.128","","","","has coordinates,has disorder","295760","2024-11-04","20:29:09",""
"7717382","17.5417","0.0002","17.1342","0.0002","17.671","0.0002","90","","104.591","0.001","90","","5139.95","0.1","120.1","0.3","120.1","0.3","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C92 H114 Cl2 N16 O4 Sm2 U2 -","- C92 H114 Cl2 N16 O4 Sm2 U2 -","- C184 H228 Cl4 N32 O8 Sm4 U4 -","2","0.5","","Obey, Tom J. N.; Nichol, Gary S.; Love, Jason B.","Controlled and sequential single-electron reduction of the uranyl dication.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16229","16240","10.1039/d4dt02367f","","x-ray","0.71073","MoKα","","0.0387","0.0274","","","0.0531","0.0561","","","","","","1.026","","","","has coordinates","295760","2024-11-04","20:29:10",""
"7717383","12.5339","0.0003","12.5763","0.0002","19.5151","0.0005","76.777","0.002","79.539","0.002","68.993","0.002","2778.75","0.11","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C112 H136 K4 N20 O4 U2 -","- C112 H136 K4 N20 O4 U2 -","- C112 H136 K4 N20 O4 U2 -","1","0.5","","Obey, Tom J. N.; Nichol, Gary S.; Love, Jason B.","Controlled and sequential single-electron reduction of the uranyl dication.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16229","16240","10.1039/d4dt02367f","","x-ray","0.71073","MoKα","","0.042","0.0328","","","0.0699","0.074","","","","","","1.052","","","","has coordinates,has disorder","295760","2024-11-04","20:29:10",""
"7717384","14.3634","0.0006","18.9972","0.0007","15.4266","0.0006","90","","100.975","0.002","90","","4132.4","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C87 H109 N15 O4 U2 Zn2 -","- C87 H109 N15 O4 U2 Zn2 -","- C174 H218 N30 O8 U4 Zn4 -","2","0.5","","Obey, Tom J. N.; Nichol, Gary S.; Love, Jason B.","Controlled and sequential single-electron reduction of the uranyl dication.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16229","16240","10.1039/d4dt02367f","","","0.71073","MoKα","","0.0338","0.023","","","0.0471","0.0513","","","","","","1.028","","","","has coordinates,has disorder","295760","2024-11-04","20:29:10",""
"7717385","17.5026","0.0009","17.0392","0.0009","17.5819","0.0009","90","","104.439","0.002","90","","5077.8","0.5","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C92 H114 Cl2 N16 O4 U2 Y2 -","- C92 H114 Cl2 N16 O4 U2 Y2 -","- C184 H228 Cl4 N32 O8 U4 Y4 -","2","0.5","","Obey, Tom J. N.; Nichol, Gary S.; Love, Jason B.","Controlled and sequential single-electron reduction of the uranyl dication.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16229","16240","10.1039/d4dt02367f","","","0.71073","MoKα","","0.0419","0.0302","","","0.0626","0.0666","","","","","","1.07","","","","has coordinates","295760","2024-11-04","20:29:10",""
"7717386","26.8382","0.0018","15.5671","0.001","28.998","0.003","90","","92.423","0.002","90","","12104.3","1.7","100","","100","","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C56 H91 K N8 Na O2 Si2 U -","- C56 H91 K N8 Na O2 Si2 U -","- C448 H728 K8 N64 Na8 O16 Si16 U8 -","8","1","","Obey, Tom J. N.; Nichol, Gary S.; Love, Jason B.","Controlled and sequential single-electron reduction of the uranyl dication.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16229","16240","10.1039/d4dt02367f","","","0.71073","MoKα","","0.0928","0.0518","","","0.0874","0.1055","","","","","","1.102","","","","has coordinates,has disorder","295760","2024-11-04","20:29:10",""
"7717387","12.1503","0.0003","16.1749","0.0004","24.3853","0.0007","79.382","0.002","82.241","0.002","85.201","0.002","4658.7","0.2","120.1","0.4","120.1","0.4","","","","","","","","6","P -1","-P 1","2","","","","- C93 H123 N15 O4 U2 Y2 -","- C93 H123 N15 O4 U2 Y2 -","- C186 H246 N30 O8 U4 Y4 -","2","1","","Obey, Tom J. N.; Nichol, Gary S.; Love, Jason B.","Controlled and sequential single-electron reduction of the uranyl dication.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16229","16240","10.1039/d4dt02367f","","x-ray","0.71073","MoKα","","0.0783","0.0625","","","0.1383","0.1459","","","","","","1.113","","","","has coordinates","295760","2024-11-04","20:29:10",""
"7717388","19.0604","0.0003","17.0605","0.0002","24.4496","0.0004","90","","106.506","0.002","90","","7622.9","0.2","120.2","0.8","120.2","0.8","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C71 H82 Cl3 Li2 N13 O2 U Y -","- C71 H82 Cl3 Li2 N13 O2 U Y -","- C284 H328 Cl12 Li8 N52 O8 U4 Y4 -","4","1","","Obey, Tom J. N.; Nichol, Gary S.; Love, Jason B.","Controlled and sequential single-electron reduction of the uranyl dication.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16229","16240","10.1039/d4dt02367f","","x-ray","0.71073","MoKα","","0.0601","0.0359","","","0.0649","0.0723","","","","","","1.016","","","","has coordinates","295760","2024-11-04","20:29:11",""
"7717389","19.0653","0.0004","17.0891","0.0003","24.4481","0.0005","90","","106.566","0.002","90","","7634.8","0.3","120","0.1","120","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C76 H87 Cl3 Dy Li2 N14 O2 U -","- C76 H87 Cl3 Dy Li2 N14 O2 U -","- C304 H348 Cl12 Dy4 Li8 N56 O8 U4 -","4","1","","Obey, Tom J. N.; Nichol, Gary S.; Love, Jason B.","Controlled and sequential single-electron reduction of the uranyl dication.","Dalton transactions (Cambridge, England : 2003)","2024","53","39","16229","16240","10.1039/d4dt02367f","","x-ray","0.71073","MoKα","","0.0711","0.042","","","0.0703","0.079","","","","","","1.036","","","","has coordinates","295760","2024-11-04","20:29:11",""
"7717390","3.9743","0.0006","24.267","0.004","5.9919","0.0009","90","","90.252","0.007","90","","577.88","0.16","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/m 1","-P 2yb","11","","","","- C12 H6 O2 S4 -","- C12 H6 O2 S4 -","- C24 H12 O4 S8 -","2","0.5","","Youssef, Khalil; Vacher, Antoine; Khrueawatthanawet, Thanaphon; Roisnel, Thierry; Barriere, Frederic; Lorcy, Dominique","Electrostatic vs Electronic interactions within oxidized multinuclear Pt(bipyridine)(dithiolene) complexes","Dalton Transactions","2024","","","","","10.1039/D4DT02514H","","x-ray","0.71073","MoKα","","0.0543","0.0516","","","0.109","0.1102","","","","","","1.218","","","","has coordinates","295763","2024-11-04","23:44:43",""
"7717391","12.488","0.002","35.42","0.005","10.2719","0.0014","90","","109.935","0.005","90","","4271.3","1.1","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H60 S6 Sn3 -","- C36 H60 S6 Sn3 -","- C144 H240 S24 Sn12 -","4","1","","Youssef, Khalil; Vacher, Antoine; Khrueawatthanawet, Thanaphon; Roisnel, Thierry; Barriere, Frederic; Lorcy, Dominique","Electrostatic vs Electronic interactions within oxidized multinuclear Pt(bipyridine)(dithiolene) complexes","Dalton Transactions","2024","","","","","10.1039/D4DT02514H","","x-ray","0.71073","MoKα","","0.0346","0.0336","","","0.074","0.0745","","","","","","1.136","","","","has coordinates,has disorder","295763","2024-11-04","23:44:45",""
"7717392","11.8012","0.0012","12.4958","0.0011","18.4065","0.0019","92.581","0.003","90.574","0.003","116.854","0.004","2417.8","0.4","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C26 H30 N2 Pt S2 -","- C26 H30 N2 Pt S2 -","- C104 H120 N8 Pt4 S8 -","4","2","","Youssef, Khalil; Vacher, Antoine; Khrueawatthanawet, Thanaphon; Roisnel, Thierry; Barriere, Frederic; Lorcy, Dominique","Electrostatic vs Electronic interactions within oxidized multinuclear Pt(bipyridine)(dithiolene) complexes","Dalton Transactions","2024","","","","","10.1039/D4DT02514H","","x-ray","0.71073","MoKα","","0.0364","0.0303","","","0.0797","0.0828","","","","","","1.062","","","","has coordinates","295763","2024-11-04","23:44:45",""
"7717393","10.992","0.003","11.94","0.004","17.155","0.005","92.109","0.003","101.285","0.003","102.49","0.003","2148.3","1.1","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H47 F12 Fe2 N5 P2 S2 -","- C38 H47 F12 Fe2 N5 P2 S2 -","- C76 H94 F24 Fe4 N10 P4 S4 -","2","1","","Di, Kai; Yang, Dawei; Su, Linan; Du, Ronghuan; Dong, Shengbin; Wang, Baomin; Qu, Jingping","A new family of thiolate-bridged bimetallic complexes featuring a benzimidazole moiety: synthesis, structure and redox reactivity.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18754","18761","10.1039/d4dt02484b","","","0.71073","MoKα","","0.0672","0.0525","","","0.1505","0.161","","","","","","1.137","","","","has coordinates,has disorder","296558","2024-12-06","18:47:44",""
"7717394","11.29","0.002","15.799","0.003","13.395","0.003","90","","110.23","0.005","90","","2241.9","0.8","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H50 F12 N6 P2 Ru2 S2 -","- C40 H50 F12 N6 P2 Ru2 S2 -","- C80 H100 F24 N12 P4 Ru4 S4 -","2","0.5","","Di, Kai; Yang, Dawei; Su, Linan; Du, Ronghuan; Dong, Shengbin; Wang, Baomin; Qu, Jingping","A new family of thiolate-bridged bimetallic complexes featuring a benzimidazole moiety: synthesis, structure and redox reactivity.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18754","18761","10.1039/d4dt02484b","","","0.71073","MoKα","","0.0509","0.0408","","","0.089","0.0955","","","","","","1.072","","","","has coordinates","296558","2024-12-06","18:47:45",""
"7717395","12.7973","0.0018","16.87","0.002","20.971","0.003","90","","90","","90","","4527.4","1.1","200","","200","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C37 H46 Cl2 F12 N4 P2 Ru2 S2 -","- C37 H46 Cl2 F12 N4 P2 Ru2 S2 -","- C148 H184 Cl8 F48 N16 P8 Ru8 S8 -","4","1","","Di, Kai; Yang, Dawei; Su, Linan; Du, Ronghuan; Dong, Shengbin; Wang, Baomin; Qu, Jingping","A new family of thiolate-bridged bimetallic complexes featuring a benzimidazole moiety: synthesis, structure and redox reactivity.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18754","18761","10.1039/d4dt02484b","","","0.71073","MoKα","","0.0934","0.061","","","0.1182","0.1253","","","","","","1.131","","","","has coordinates","296558","2024-12-06","18:47:45",""
"7717396","17.5444","0.0016","14.6053","0.0014","14.6529","0.0015","90","","95.899","0.002","90","","3734.8","0.6","298","","298","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 F6 Fe2 N4 P S2 -","- C36 H44 F6 Fe2 N4 P S2 -","- C144 H176 F24 Fe8 N16 P4 S8 -","4","1","","Di, Kai; Yang, Dawei; Su, Linan; Du, Ronghuan; Dong, Shengbin; Wang, Baomin; Qu, Jingping","A new family of thiolate-bridged bimetallic complexes featuring a benzimidazole moiety: synthesis, structure and redox reactivity.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18754","18761","10.1039/d4dt02484b","","","0.71073","MoKα","","0.1123","0.0584","","","0.1155","0.1287","","","","","","1.029","","","","has coordinates","296558","2024-12-06","18:47:45",""
"7717397","11.5804","0.0008","36.884","0.003","12.283","0.0009","90","","117.113","0.003","90","","4669.9","0.6","120","","120","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H48 Cl4 Co2 F12 N4 P2 S2 -","- C38 H48 Cl4 Co2 F12 N4 P2 S2 -","- C152 H192 Cl16 Co8 F48 N16 P8 S8 -","4","1","","Di, Kai; Yang, Dawei; Su, Linan; Du, Ronghuan; Dong, Shengbin; Wang, Baomin; Qu, Jingping","A new family of thiolate-bridged bimetallic complexes featuring a benzimidazole moiety: synthesis, structure and redox reactivity.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18754","18761","10.1039/d4dt02484b","","","0.71073","MoKα","","0.161","0.0953","","","0.1797","0.205","","","","","","1.035","","","","has coordinates,has disorder","296558","2024-12-06","18:47:45",""
"7717398","9.6481","0.0003","18.3359","0.0004","18.2408","0.0005","90","","95.377","0.003","90","","3212.72","0.15","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 B2 F8 Fe N6 -","- C30 H38 B2 F8 Fe N6 -","- C120 H152 B8 F32 Fe4 N24 -","4","1","","Geoghegan, Blaise L.; Koutsoukos, Spyridon; Phonsri, Wasinee; Murray, Keith S.; Cragg, Peter J.; Dymond, Marcus K.; Gass, Ian A.","Crystalline bilayer formation in homoleptic low-spin Fe(II) compounds with alkyl chain substituents.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18698","18710","10.1039/d4dt02667e","","x-ray","0.71073","MoKα","","0.0661","0.0459","","","0.1019","0.1102","","","","","","1.0449","","","","has coordinates,has disorder","296559","2024-12-06","18:50:55",""
"7717399","23.891","0.0006","10.3579","0.0002","19.4682","0.0005","90","","110.978","0.003","90","","4498.3","0.2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 F6 Fe N6 O6 S2 -","- C40 H54 F6 Fe N6 O6 S2 -","- C160 H216 F24 Fe4 N24 O24 S8 -","4","1","","Geoghegan, Blaise L.; Koutsoukos, Spyridon; Phonsri, Wasinee; Murray, Keith S.; Cragg, Peter J.; Dymond, Marcus K.; Gass, Ian A.","Crystalline bilayer formation in homoleptic low-spin Fe(II) compounds with alkyl chain substituents.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18698","18710","10.1039/d4dt02667e","","x-ray","1.54178","CuKα","","0.0781","0.0667","","","0.1808","0.1932","","","","","","1.0393","","","","has coordinates","296559","2024-12-06","18:50:56",""
"7717400","20.8837","0.0003","10.4542","0.0001","19.34","0.0003","90","","108.114","0.002","90","","4013.09","0.1","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H46 F6 Fe N6 O6 S2 -","- C36 H46 F6 Fe N6 O6 S2 -","- C144 H184 F24 Fe4 N24 O24 S8 -","4","1","","Geoghegan, Blaise L.; Koutsoukos, Spyridon; Phonsri, Wasinee; Murray, Keith S.; Cragg, Peter J.; Dymond, Marcus K.; Gass, Ian A.","Crystalline bilayer formation in homoleptic low-spin Fe(II) compounds with alkyl chain substituents.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18698","18710","10.1039/d4dt02667e","","x-ray","0.71073","MoKα","","0.046","0.0383","","","0.0945","0.099","","","","","","1.023","","","","has coordinates","296559","2024-12-06","18:50:56",""
"7717401","27.574","0.0007","10.1229","0.0002","19.4863","0.0003","90","","104.208","0.002","90","","5272.81","0.19","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H70 F6 Fe N6 O6 S2 -","- C48 H70 F6 Fe N6 O6 S2 -","- C192 H280 F24 Fe4 N24 O24 S8 -","4","1","","Geoghegan, Blaise L.; Koutsoukos, Spyridon; Phonsri, Wasinee; Murray, Keith S.; Cragg, Peter J.; Dymond, Marcus K.; Gass, Ian A.","Crystalline bilayer formation in homoleptic low-spin Fe(II) compounds with alkyl chain substituents.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18698","18710","10.1039/d4dt02667e","","x-ray","1.54178","CuKα","","0.0829","0.057","","","0.1438","0.1627","","","","","","1.0043","","","","has coordinates,has disorder","296559","2024-12-06","18:50:56",""
"7717402","60.541","0.002","10.3428","0.0005","19.2128","0.001","90","","98.33","0.004","90","","11903.4","0.9","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H86 F6 Fe N6 O6 S2 -","- C56 H86 F6 Fe N6 O6 S2 -","- C448 H688 F48 Fe8 N48 O48 S16 -","8","1","","Geoghegan, Blaise L.; Koutsoukos, Spyridon; Phonsri, Wasinee; Murray, Keith S.; Cragg, Peter J.; Dymond, Marcus K.; Gass, Ian A.","Crystalline bilayer formation in homoleptic low-spin Fe(II) compounds with alkyl chain substituents.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18698","18710","10.1039/d4dt02667e","","x-ray","1.54178","CuKα","","0.1123","0.0898","","","0.2274","0.2477","","","","","","1.049","","","","has coordinates,has disorder","296559","2024-12-06","18:50:56",""
"7717403","25.8831","0.0006","10.281","0.0002","19.4228","0.0004","90","","111.103","0.002","90","","4821.86","0.19","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H62 F6 Fe N6 O6 S2 -","- C44 H62 F6 Fe N6 O6 S2 -","- C176 H248 F24 Fe4 N24 O24 S8 -","4","1","","Geoghegan, Blaise L.; Koutsoukos, Spyridon; Phonsri, Wasinee; Murray, Keith S.; Cragg, Peter J.; Dymond, Marcus K.; Gass, Ian A.","Crystalline bilayer formation in homoleptic low-spin Fe(II) compounds with alkyl chain substituents.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18698","18710","10.1039/d4dt02667e","","x-ray","0.71073","MoKα","","0.0712","0.0584","","","0.1373","0.1438","","","","","","1.125","","","","has coordinates","296559","2024-12-06","18:50:56",""
"7717404","10.5737","0.0002","17.0941","0.0003","29.4514","0.0004","88.86","0.001","86.862","0.001","89.547","0.002","5314.12","0.16","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C50.5 H81 B2 F8 Fe N6 O -","- C50.5 H81 B2 F8 Fe N6 O -","- C202 H324 B8 F32 Fe4 N24 O4 -","4","2","","Geoghegan, Blaise L.; Koutsoukos, Spyridon; Phonsri, Wasinee; Murray, Keith S.; Cragg, Peter J.; Dymond, Marcus K.; Gass, Ian A.","Crystalline bilayer formation in homoleptic low-spin Fe(II) compounds with alkyl chain substituents.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18698","18710","10.1039/d4dt02667e","","x-ray","0.71073","MoKα","","0.0917","0.0715","","","0.1634","0.1729","","","","","","1.097","","","","has coordinates,has disorder","296559","2024-12-06","18:50:56",""
"7717405","12.4345","0.0003","12.4345","0.0003","18.7179","0.0011","90","","90","","90","","2894.1","0.2","296.15","","296.15","","","","","","","","","6","P 43","P 4cw","78","","","","- C18 H37 Dy N3 O17 P3 -","- C18 H37 Dy N3 O17 P3 -","- C72 H148 Dy4 N12 O68 P12 -","4","1","","Peng, Guo; Zhou, Guoxing; Dong, Xiang Tao; Peng, Yong-Bo; Zhang, Rong-Yan; Ma, Ying-Zhao; Ren, Xiaoming","Multifunctional chiral metal hydrogen-bonded organic frameworks constructed from lanthanide ions with trigonal prismatic coordination environment","Dalton Transactions","2024","","","","","10.1039/D4DT02131B","","","0.71073","MoKα","","0.0256","0.025","","","0.0608","0.0612","","","","","","1.042","","","","has coordinates","295785","2024-11-06","00:00:12",""
"7717406","12.4055","0.0009","12.4055","0.0009","18.6422","0.0014","90","","90","","90","","2869","0.4","296","2","296","2","","","","","","","","6","P 41","P 4w","76","","","","- C18 H37 N3 O17 P3 Yb -","- C18 H37 N3 O17 P3 Yb -","- C72 H148 N12 O68 P12 Yb4 -","4","1","","Peng, Guo; Zhou, Guoxing; Dong, Xiang Tao; Peng, Yong-Bo; Zhang, Rong-Yan; Ma, Ying-Zhao; Ren, Xiaoming","Multifunctional chiral metal hydrogen-bonded organic frameworks constructed from lanthanide ions with trigonal prismatic coordination environment","Dalton Transactions","2024","","","","","10.1039/D4DT02131B","","","0.71073","MoKα","","0.0238","0.0221","","","0.0599","0.0813","","","","","","1.325","","","","has coordinates","295785","2024-11-06","00:00:13",""
"7717407","12.4178","0.0007","12.4178","0.0007","18.6104","0.0011","90","","90","","90","","2869.8","0.3","296.15","","296.15","","","","","","","","","6","P 43","P 4cw","78","","","","- C18 H36 N3 O17 P3 Yb -","- C18 H36 N3 O17 P3 Yb -","- C72 H144 N12 O68 P12 Yb4 -","4","1","","Peng, Guo; Zhou, Guoxing; Dong, Xiang Tao; Peng, Yong-Bo; Zhang, Rong-Yan; Ma, Ying-Zhao; Ren, Xiaoming","Multifunctional chiral metal hydrogen-bonded organic frameworks constructed from lanthanide ions with trigonal prismatic coordination environment","Dalton Transactions","2024","","","","","10.1039/D4DT02131B","","","0.71073","MoKα","","0.0271","0.025","","","0.0565","0.0572","","","","","","1.022","","","","has coordinates","295785","2024-11-06","00:00:13",""
"7717408","24.1324","0.0003","27.9543","0.0005","22.9415","0.0004","90","","97.724","0.001","90","","15336","0.4","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H14 Eu2 Na1.5 O31 S4 -","- C32 H14 Eu2 Na1.5 O31 S4 -","- C256 H112 Eu16 Na12 O248 S32 -","8","1","","Liu, Lizhen; Zhu, Gaoyong; Yang, Kang; Chen, Yaozong; Hong, Yuan; Bo, Yiyang; Wu, Susu; Peng, Xiangfang; Yao, Zizhu","A new type of Lanthanide−sodium metalloring organic framework featuring high proton conduction in a wide temperature range and detection of Fe3+ ions","Dalton Transactions","2024","","","","","10.1039/D4DT02479F","","x-ray","1.54184","CuKα","","0.1016","0.0859","","","0.2376","0.2542","","","","","","1.098","","","","has coordinates,has disorder","295786","2024-11-06","00:00:46",""
"7717409","24.1627","0.0012","28.0873","0.0012","22.9131","0.0007","90","","98.693","0.004","90","","15371.7","1.1","299.58","0.1","299.58","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H15 Na1.5 O30.5 S4 Sm2 -","- C32 H15 Na1.5 O30.5 S4 Sm2 -","- C256 H120 Na12 O244 S32 Sm16 -","8","1","","Liu, Lizhen; Zhu, Gaoyong; Yang, Kang; Chen, Yaozong; Hong, Yuan; Bo, Yiyang; Wu, Susu; Peng, Xiangfang; Yao, Zizhu","A new type of Lanthanide−sodium metalloring organic framework featuring high proton conduction in a wide temperature range and detection of Fe3+ ions","Dalton Transactions","2024","","","","","10.1039/D4DT02479F","","x-ray","1.54184","CuKα","","0.099","0.0863","","","0.2382","0.2496","","","","","","1.082","","","","has coordinates,has disorder","295786","2024-11-06","00:00:47",""
"7717410","21.2423","0.0002","14.2445","0.0001","18.1335","0.0002","90","","90","","90","","5486.94","0.09","99.97","0.1","99.97","0.1","","","","","","","","7","P c a 21","P 2c -2ac","29","","[Dy(Cpttt)2(Cl)(Al(OC(CF)3)3)3]","","- C46 H58 Al Cl Dy F27 O3 -","- C46 H58 Al Cl Dy F27 O3 -","- C184 H232 Al4 Cl4 Dy4 F108 O12 -","4","1","","Corner, Sophie C.; Gransbury, Gemma Kate; Mills, David P.","Influence of weakly coordinating anions binding to the hexa-tert-butyl dysprosocenium cation","Dalton Transactions","2024","","","","","10.1039/D4DT02713B","","x-ray","1.54184","CuKα","","0.0514","0.0484","","","0.1365","0.1398","","","","","","1.023","","","","has coordinates,has disorder","295787","2024-11-06","00:01:24",""
"7717411","12.3345","0.0003","16.0941","0.0005","21.5697","0.0007","72.902","0.003","78.936","0.002","85.763","0.002","4015.9","0.2","99.97","0.1","99.97","0.1","","","","","","","","7","P -1","-P 1","2","","[Dy(Cpttt)2(Cl)(Al(CH2CH3)(OC(C6F5)3)2]","","- C86 H73 Al Cl Dy F32 O2 -","- C86 H73 Al Cl Dy F32 O2 -","- C172 H146 Al2 Cl2 Dy2 F64 O4 -","2","1","","Corner, Sophie C.; Gransbury, Gemma Kate; Mills, David P.","Influence of weakly coordinating anions binding to the hexa-tert-butyl dysprosocenium cation","Dalton Transactions","2024","","","","","10.1039/D4DT02713B","","x-ray","0.71073","MoKα","","0.0807","0.0628","","","0.1502","0.1607","","","","","","1.051","","","","has coordinates,has disorder","295787","2024-11-06","00:01:25",""
"7717412","22.0487","0.0008","18.0563","0.0008","22.8495","0.0009","90","","90","","90","","9096.8","0.6","273.15","","273.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C49 H65 N3 O2 P Sc -","- C49 H65 N3 O2 P Sc -","- C392 H520 N24 O16 P8 Sc8 -","8","1","","Guan, Yiwen; Xu, Xian; Xu, Xin","Reactions of a Geminal Sc/P Lewis Pair with Pyridotetrazole and Beyond","Dalton Transactions","2024","","","","","10.1039/D4DT02838D","","","0.71073","MoKα","","0.134","0.0835","","","0.1303","0.1483","","","","","","1.143","","","","has coordinates","295806","2024-11-06","23:54:46",""
"7717413","41.923","0.003","10.2466","0.0005","22.466","0.0012","90","","98.649","0.005","90","","9540.9","1","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H67 N O2 P Sc -","- C52 H67 N O2 P Sc -","- C416 H536 N8 O16 P8 Sc8 -","8","1","","Guan, Yiwen; Xu, Xian; Xu, Xin","Reactions of a Geminal Sc/P Lewis Pair with Pyridotetrazole and Beyond","Dalton Transactions","2024","","","","","10.1039/D4DT02838D","","","1.34138","GaKα","","0.1115","0.0569","","","0.1271","0.1493","","","","","","1.024","","","","has coordinates","295806","2024-11-06","23:54:46",""
"7717414","11.2105","0.0004","23.0554","0.0009","19.3556","0.0007","90","","97.052","0.001","90","","4964.9","0.3","119.99","","119.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H69 N3 O2 P Sc -","- C56 H69 N3 O2 P Sc -","- C224 H276 N12 O8 P4 Sc4 -","4","1","","Guan, Yiwen; Xu, Xian; Xu, Xin","Reactions of a Geminal Sc/P Lewis Pair with Pyridotetrazole and Beyond","Dalton Transactions","2024","","","","","10.1039/D4DT02838D","","","0.71073","MoKα","","0.103","0.0497","","","0.1078","0.1405","","","","","","1.035","","","","has coordinates","295806","2024-11-06","23:54:46",""
"7717415","11.2256","0.0005","12.2433","0.0006","22.3628","0.0009","92.103","0.002","103.575","0.002","116.889","0.002","2628.2","0.2","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C57.5 H80 N4 O2 P Sc -","- C57.5 H80 N4 O2 P Sc -","- C115 H160 N8 O4 P2 Sc2 -","2","1","","Guan, Yiwen; Xu, Xian; Xu, Xin","Reactions of a Geminal Sc/P Lewis Pair with Pyridotetrazole and Beyond","Dalton Transactions","2024","","","","","10.1039/D4DT02838D","","","1.34138","GaKα","","0.1213","0.0648","","","0.1499","0.1736","","","","","","1.064","","","","has coordinates,has disorder","295806","2024-11-06","23:54:47",""
"7717416","41.237","0.004","10.5045","0.001","21.735","0.002","90","","102.852","0.004","90","","9179.2","1.5","153","","153","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C47 H70 N2 O2 P Sc Si -","- C47 H70 N2 O2 P Sc Si -","- C376 H560 N16 O16 P8 Sc8 Si8 -","8","1","","Guan, Yiwen; Xu, Xian; Xu, Xin","Reactions of a Geminal Sc/P Lewis Pair with Pyridotetrazole and Beyond","Dalton Transactions","2024","","","","","10.1039/D4DT02838D","","","0.71073","MoKα","","0.1504","0.0627","","","0.1113","0.1349","","","","","","1.015","","","","has coordinates","295806","2024-11-06","23:54:47",""
"7717417","11.2343","0.0005","11.7686","0.0006","21.1672","0.001","78.026","0.002","78.416","0.002","68.27","0.002","2519.3","0.2","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C51.5 H75 N3 O2 P Sc Si -","- C51.5 H75 N3 O2 P Sc Si -","- C103 H150 N6 O4 P2 Sc2 Si2 -","2","1","","Guan, Yiwen; Xu, Xian; Xu, Xin","Reactions of a Geminal Sc/P Lewis Pair with Pyridotetrazole and Beyond","Dalton Transactions","2024","","","","","10.1039/D4DT02838D","","","1.34138","GaKα","","0.0819","0.049","","","0.1149","0.1287","","","","","","1.048","","","","has coordinates,has disorder","295806","2024-11-06","23:54:47",""
"7717418","10.126","0.0005","22.6532","0.0011","21.7871","0.0011","90","","101.164","0.002","90","","4903.1","0.4","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C53 H72 N4 O2 P Sc -","- C53 H72 N4 O2 P Sc -","- C212 H288 N16 O8 P4 Sc4 -","4","2","","Guan, Yiwen; Xu, Xian; Xu, Xin","Reactions of a Geminal Sc/P Lewis Pair with Pyridotetrazole and Beyond","Dalton Transactions","2024","","","","","10.1039/D4DT02838D","","","1.34138","GaKα","","0.079","0.05","","","0.1105","0.1257","","","","","","1.039","","","","has coordinates","295806","2024-11-06","23:54:47",""
"7717419","25.38","0.007","12.984","0.003","29.626","0.007","90","","113.566","0.009","90","","8949","4","150","","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C91 H125 N5 O4 P2 Sc2 -","- C91 H125 N5 O4 P2 Sc2 -","- C364 H500 N20 O16 P8 Sc8 -","4","1","","Guan, Yiwen; Xu, Xian; Xu, Xin","Reactions of a Geminal Sc/P Lewis Pair with Pyridotetrazole and Beyond","Dalton Transactions","2024","","","","","10.1039/D4DT02838D","","","1.34139","GaKα","","0.0959","0.0786","","","0.2115","0.2258","","","","","","1.08","","","","has coordinates","295806","2024-11-06","23:54:48",""
"7717420","9.1917","0.0008","14.0017","0.0014","17.7856","0.0016","80.196","0.006","76.87","0.006","80.423","0.004","2177.1","0.4","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C46 H44 B Cl2 F4 Mn N O2 P3 -","- C46 H44 B Cl2 F4 Mn N O2 P3 -","- C92 H88 B2 Cl4 F8 Mn2 N2 O4 P6 -","2","1","","Kovalenko, Sergey A.; Gulyaeva, Ekaterina S.; Osipova, Elena S.; Filippov, Oleg A.; Danshina, Anastasia; Vendier, Laure; Kireev, Nikolay V.; Godovikov, Ivan A.; CANAC, Yves; Valyaev, Dmitry A.; Belkova, Natalia; Shubina, Elena","Influence of triphosphine ligand coordination geometry in Mn(I) hydride complexes [(P∩P∩P)(CO)2MnH] on their kinetic hydricity","Dalton Transactions","2024","","","","","10.1039/D4DT02496F","","","0.71073","MoKα","","0.1631","0.1107","","","0.2564","0.2774","","","","","","1.113","","","","has coordinates,has disorder","295807","2024-11-06","23:55:54",""
"7717421","10.0848","0.0002","12.377","0.0003","14.8709","0.0003","75.639","0.001","84.243","0.001","85.386","0.001","1786.13","0.07","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C38 H36 B F4 Mn N O2 P3 -","- C38 H36 B F4 Mn N O2 P3 -","- C76 H72 B2 F8 Mn2 N2 O4 P6 -","2","1","","Kovalenko, Sergey A.; Gulyaeva, Ekaterina S.; Osipova, Elena S.; Filippov, Oleg A.; Danshina, Anastasia; Vendier, Laure; Kireev, Nikolay V.; Godovikov, Ivan A.; CANAC, Yves; Valyaev, Dmitry A.; Belkova, Natalia; Shubina, Elena","Influence of triphosphine ligand coordination geometry in Mn(I) hydride complexes [(P∩P∩P)(CO)2MnH] on their kinetic hydricity","Dalton Transactions","2024","","","","","10.1039/D4DT02496F","","","0.71073","MoKα","","0.0805","0.0472","","","0.1046","0.1167","","","","","","1.028","","","","has coordinates","295807","2024-11-06","23:55:58",""
"7717422","11.1767","0.0001","14.6193","0.0001","19.9086","0.0001","90","","97.443","0.001","90","","3225.57","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H33 Br Mn O2 P3 -","- C36 H33 Br Mn O2 P3 -","- C144 H132 Br4 Mn4 O8 P12 -","4","1","","Kovalenko, Sergey A.; Gulyaeva, Ekaterina S.; Osipova, Elena S.; Filippov, Oleg A.; Danshina, Anastasia; Vendier, Laure; Kireev, Nikolay V.; Godovikov, Ivan A.; CANAC, Yves; Valyaev, Dmitry A.; Belkova, Natalia; Shubina, Elena","Influence of triphosphine ligand coordination geometry in Mn(I) hydride complexes [(P∩P∩P)(CO)2MnH] on their kinetic hydricity","Dalton Transactions","2024","","","","","10.1039/D4DT02496F","","","1.54184","CuKα","","0.0236","0.0222","","","0.0555","0.0564","","","","","","1.029","","","","has coordinates","295807","2024-11-06","23:55:58",""
"7717423","8.5939","0.0003","30.4974","0.0011","12.3138","0.0005","90","","100.79","0.001","90","","3170.3","0.2","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 Mn O2 P3 -","- C36 H34 Mn O2 P3 -","- C144 H136 Mn4 O8 P12 -","4","1","","Kovalenko, Sergey A.; Gulyaeva, Ekaterina S.; Osipova, Elena S.; Filippov, Oleg A.; Danshina, Anastasia; Vendier, Laure; Kireev, Nikolay V.; Godovikov, Ivan A.; CANAC, Yves; Valyaev, Dmitry A.; Belkova, Natalia; Shubina, Elena","Influence of triphosphine ligand coordination geometry in Mn(I) hydride complexes [(P∩P∩P)(CO)2MnH] on their kinetic hydricity","Dalton Transactions","2024","","","","","10.1039/D4DT02496F","","","0.71073","MoKα","","0.0913","0.0458","","","0.0869","0.0983","","","","","","1.029","","","","has coordinates","295807","2024-11-06","23:55:58",""
"7717424","18.2707","0.0003","11.9106","0.0002","16.9843","0.0004","90","","90","","90","","3696.04","0.12","180","2","180","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C43 H39 Br Mn O2 P3 -","- C43 H39 Br Mn O2 P3 -","- C172 H156 Br4 Mn4 O8 P12 -","4","1","","Kovalenko, Sergey A.; Gulyaeva, Ekaterina S.; Osipova, Elena S.; Filippov, Oleg A.; Danshina, Anastasia; Vendier, Laure; Kireev, Nikolay V.; Godovikov, Ivan A.; CANAC, Yves; Valyaev, Dmitry A.; Belkova, Natalia; Shubina, Elena","Influence of triphosphine ligand coordination geometry in Mn(I) hydride complexes [(P∩P∩P)(CO)2MnH] on their kinetic hydricity","Dalton Transactions","2024","","","","","10.1039/D4DT02496F","","","1.54184","CuKα","","0.043","0.035","","","0.0767","0.0816","","","","","","1.041","","","","has coordinates,has disorder","295807","2024-11-06","23:55:58",""
"7717425","23.5121","0.0012","23.5121","0.0012","38.3738","0.0012","90","","90","","120","","18371.7","1.4","150.01","0.1","150.01","0.1","","","","","","","","5","R 3 :H","R 3","146","","","","- C38 H33 N4 Ni3 O13 -","- C38 H33 N4 Ni3 O13 -","- C342 H297 N36 Ni27 O117 -","9","1","","Li, Yue; Xu, Mingming; Liu, Hongyan; Wang, Xiaokang; Wang, Yutong; Sun, Meng; Fan, Weidong; Sun, Daofeng","Two amino-functionalized metal-organic frameworks with different topologies for C<sub>2</sub>H<sub>2</sub>/C<sub>2</sub>H<sub>4</sub> separation.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18094","18098","10.1039/d4dt02592j","","x-ray","1.54184","CuKα","","0.095","0.0654","","","0.1623","0.185","","","","","","0.921","","","","has coordinates","296601","2024-12-06","19:08:48",""
"7717426","13.1365","0.0006","13.1365","0.0006","17.7462","0.0003","90","","90","","120","","2652.13","0.18","294.9","0.4","294.9","0.4","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C9.5 H6 Mn0.5 N O1.83 -","- C9.5 H6 Mn0.5 N O1.83337 -","- C114 H72 Mn6 N12 O22.0004 -","12","1","","Li, Yue; Xu, Mingming; Liu, Hongyan; Wang, Xiaokang; Wang, Yutong; Sun, Meng; Fan, Weidong; Sun, Daofeng","Two amino-functionalized metal-organic frameworks with different topologies for C<sub>2</sub>H<sub>2</sub>/C<sub>2</sub>H<sub>4</sub> separation.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18094","18098","10.1039/d4dt02592j","","x-ray","1.54184","CuKα","","0.0893","0.0741","","","0.2064","0.2258","","","","","","1.043","","","","has coordinates","296601","2024-12-06","19:08:49",""
"7717427","22.5149","0.0004","34.155","0.0005","8.8325","0.0001","90","","90","","90","","6792.16","0.17","100","","100","","","","","","","","","5","P b a 2","P 2 -2ab","32","","","","- C32 H49 Al N O5.5 -","- C32 H48 Al N O5.5 -","- C256 H384 Al8 N8 O44 -","8","2","","Jenkins, David T.; Trodden, Elizabeth C.; Andresen, John M.; Mansell, Stephen M.; McIntosh, Ruaraidh D.","Switchable, chiral aluminium catalysts for ring opening polymerisations.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18089","18093","10.1039/d4dt02831g","","","1.54178","CuKα","","0.1193","0.1009","","","0.2738","0.2961","","","","","","1.216","","","","has coordinates,has disorder","296596","2024-12-06","19:07:07",""
"7717428","10.866","0.005","31.717","0.015","13.243","0.006","90","","110.155","0.018","90","","4285","3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C86 H126 Al2 N4 O10 -","- C86 H126 Al2 N4 O10 -","- C172 H252 Al4 N8 O20 -","2","0.5","","Jenkins, David T.; Trodden, Elizabeth C.; Andresen, John M.; Mansell, Stephen M.; McIntosh, Ruaraidh D.","Switchable, chiral aluminium catalysts for ring opening polymerisations.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18089","18093","10.1039/d4dt02831g","","","1.54178","CuKα","","0.0759","0.0695","","","0.2102","0.2162","","","","","","1.064","","","","has coordinates,has disorder","296596","2024-12-06","19:07:07",""
"7717429","11.1245","0.0007","13.9569","0.0008","14.6201","0.0009","96.541","0.003","96.934","0.004","103.771","0.003","2164.5","0.2","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C88 H130 Al2 N4 O10 -","- C88 H130 Al2 N4 O10 -","- C88 H130 Al2 N4 O10 -","1","0.5","","Jenkins, David T.; Trodden, Elizabeth C.; Andresen, John M.; Mansell, Stephen M.; McIntosh, Ruaraidh D.","Switchable, chiral aluminium catalysts for ring opening polymerisations.","Dalton transactions (Cambridge, England : 2003)","2024","53","45","18089","18093","10.1039/d4dt02831g","","","1.54178","CuKα","","0.086","0.0729","","","0.2067","0.221","","","","","","1.096","","","","has coordinates","296596","2024-12-06","19:07:07",""
"7717430","17.5341","0.0016","8.5135","0.0008","23.945","0.002","90","","95.581","0.003","90","","3557.5","0.6","193","","193","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C12 H33 Bi2 I9 N3 -","- C12 H33 Bi2 I9 N3 -","- C48 H132 Bi8 I36 N12 -","4","2","","Chen, Zhibo; Luo, Tianhong; Wen, Jinrong; Liu, Zhanqiang; Hou, Jingshan; Fang, Yongzheng; Zhang, Ganghua","Bulk photovoltaic effect in a zero-dimensional room-temperature molecular ferroelectric [C8N2H22]1.5[Bi2I9]","Dalton Transactions","2024","","","","","10.1039/D4DT02698E","","","0.71073","MoKα","","0.0678","0.0468","","","0.1139","0.1299","","","","","","1.019","","","","has coordinates,has disorder","295810","2024-11-06","23:57:58",""
"7717431","7.83761","0.00015","10.32677","0.00019","13.6972","0.0002","90","","99.9473","0.0017","90","","1091.95","0.03","160","0.1","160","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","TscH,Me","(E)-N-methyl-2-((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)hydrazinecarbothioamide","","- C7 H10 N6 O2 S -","- C7 H10 N6 O2 S -","- C28 H40 N24 O8 S4 -","4","1","","Gonçalves, Ana Cristina Resende; Libardi, Silvia Helena; Borges, Júlio Cesar; Oliveira, Ronaldo Junio de; Gotzmann, Carla; Blacque, Olivier; Albuquerque, Sergio; Lopes, Carla Duque; Alberto, Roger; da Silva Maia, Pedro Ivo","Rhenium(I) and technetium(I) complexes with megazol derivatives: towards the development of a theranostic platform for Chagas disease","Dalton Transactions","2024","","","","","10.1039/D4DT02714K","","x-ray","1.54184","CuKα","","0.0409","0.0387","","","0.0999","0.1014","","","","","","1.107","","","","has coordinates","295811","2024-11-06","23:58:41",""
"7717432","5.67495","0.00016","9.4303","0.0002","18.9778","0.0005","90","","95.371","0.003","90","","1011.17","0.04","159.99","0.1","159.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","LH,Me","N-methyl-5-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,3,4-thiadiazol-2-amine","","- C7 H8 N6 O2 S -","- C7 H8 N6 O2 S -","- C28 H32 N24 O8 S4 -","4","1","","Gonçalves, Ana Cristina Resende; Libardi, Silvia Helena; Borges, Júlio Cesar; Oliveira, Ronaldo Junio de; Gotzmann, Carla; Blacque, Olivier; Albuquerque, Sergio; Lopes, Carla Duque; Alberto, Roger; da Silva Maia, Pedro Ivo","Rhenium(I) and technetium(I) complexes with megazol derivatives: towards the development of a theranostic platform for Chagas disease","Dalton Transactions","2024","","","","","10.1039/D4DT02714K","","x-ray","1.54184","CuKα","","0.0439","0.0415","","","0.1147","0.1162","","","","","","1.076","","","","has coordinates","295811","2024-11-06","23:58:43",""
"7717433","11.6955","0.001","5.615","0.0005","14.3386","0.0014","90","","95.919","0.009","90","","936.6","0.15","160","0.1","160","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","megazol","5-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,3,4-thiadiazol-2-amine","","- C6 H6 N6 O2 S -","- C6 H6 N6 O2 S -","- C24 H24 N24 O8 S4 -","4","1","","Gonçalves, Ana Cristina Resende; Libardi, Silvia Helena; Borges, Júlio Cesar; Oliveira, Ronaldo Junio de; Gotzmann, Carla; Blacque, Olivier; Albuquerque, Sergio; Lopes, Carla Duque; Alberto, Roger; da Silva Maia, Pedro Ivo","Rhenium(I) and technetium(I) complexes with megazol derivatives: towards the development of a theranostic platform for Chagas disease","Dalton Transactions","2024","","","","","10.1039/D4DT02714K","","x-ray","1.54184","CuKα","","0.0775","0.0475","","","0.1099","0.1217","","","","","","1.014","","","","has coordinates","295811","2024-11-06","23:58:43",""
"7717434","6.7222","0.0003","28.6428","0.0014","6.0461","0.0003","90","","106.054","0.005","90","","1118.73","0.1","159.95","0.1","159.95","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","TscMe,Me","(E)-N,N-dimethyl-2-((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)hydrazinecarbothioamide","","- C8 H12 N6 O2 S -","- C8 H12 N6 O2 S -","- C32 H48 N24 O8 S4 -","4","1","","Gonçalves, Ana Cristina Resende; Libardi, Silvia Helena; Borges, Júlio Cesar; Oliveira, Ronaldo Junio de; Gotzmann, Carla; Blacque, Olivier; Albuquerque, Sergio; Lopes, Carla Duque; Alberto, Roger; da Silva Maia, Pedro Ivo","Rhenium(I) and technetium(I) complexes with megazol derivatives: towards the development of a theranostic platform for Chagas disease","Dalton Transactions","2024","","","","","10.1039/D4DT02714K","","x-ray","0.71073","MoKα","","0.0359","0.0298","","","0.0745","0.0782","","","","","","1.057","","","","has coordinates","295811","2024-11-06","23:58:43",""
"7717435","14.8493","0.0002","11.3627","0.0001","11.3483","0.0001","90","","90","","90","","1914.78","0.04","160","0.1","160","0.1","","","","","","","","7","P c a 21","P 2c -2ac","29","[ReBr(CO)3(LH,H)]","(5-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,3,4-thiadiazol-2-amine)bromotricarbonylrhenium(I) acetone solvate","","- C12 H12 Br N6 O6 Re S -","- C12 H12 Br N6 O6 Re S -","- C48 H48 Br4 N24 O24 Re4 S4 -","4","1","","Gonçalves, Ana Cristina Resende; Libardi, Silvia Helena; Borges, Júlio Cesar; Oliveira, Ronaldo Junio de; Gotzmann, Carla; Blacque, Olivier; Albuquerque, Sergio; Lopes, Carla Duque; Alberto, Roger; da Silva Maia, Pedro Ivo","Rhenium(I) and technetium(I) complexes with megazol derivatives: towards the development of a theranostic platform for Chagas disease","Dalton Transactions","2024","","","","","10.1039/D4DT02714K","","x-ray","1.54184","CuKα","","0.022","0.0211","","","0.0555","0.0558","","","","","","1.084","","","","has coordinates","295811","2024-11-06","23:58:43",""
"7717436","12.8669","0.0005","8.914","0.0003","29.5706","0.0012","90","","90","","90","","3391.6","0.2","159.95","0.1","159.95","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","[ReBr(CO)3(LMe,Me)]","(N,N-dimethyl-5-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,3,4-thiadiazol-2-amine)bromotricarbonylrhenium(I)","","- C11 H10 Br N6 O5 Re S -","- C11 H10 Br N6 O5 Re S -","- C88 H80 Br8 N48 O40 Re8 S8 -","8","1","","Gonçalves, Ana Cristina Resende; Libardi, Silvia Helena; Borges, Júlio Cesar; Oliveira, Ronaldo Junio de; Gotzmann, Carla; Blacque, Olivier; Albuquerque, Sergio; Lopes, Carla Duque; Alberto, Roger; da Silva Maia, Pedro Ivo","Rhenium(I) and technetium(I) complexes with megazol derivatives: towards the development of a theranostic platform for Chagas disease","Dalton Transactions","2024","","","","","10.1039/D4DT02714K","","x-ray","0.71073","MoKα","","0.0509","0.0387","","","0.0641","0.0675","","","","","","1.23","","","","has coordinates,has disorder","295811","2024-11-06","23:58:44",""
"7717437","14.4896","0.0003","17.1556","0.0003","19.511","0.0005","105.243","0.002","102.278","0.002","100.515","0.001","4423.73","0.18","170","0.1","170","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C69 H73 Dy5 F5 N20 O28.5 -","- C69 H71 Dy5 F5 N20 O28.4999 -","- C138 H142 Dy10 F10 N40 O56.9998 -","2","1","","Liu, Cai-Ming; Hao, Xiang; Hu, Zhao-Bo; Wen, He-Rui","Solvent-dependent Ln(III) clusters assembled by immobilization of CO2 in the air: zero-field single-molecule magnets and magnetic refrigerant materials","Dalton Transactions","2024","","","","","10.1039/D4DT02310B","","x-ray","0.71073","MoKα","","0.0459","0.0382","","","0.1024","0.1104","","","","","","1.026","","","","has coordinates,has disorder","295825","2024-11-07","23:48:22",""
"7717438","23.6636","0.0005","17.1881","0.0003","44.8621","0.001","90","","104.76","0.002","90","","17644.7","0.6","170","0.1","170","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C73 H79 Cl F5 Gd5 N20 O20 -","- C71 H67 Cl F5 Gd5 N20 O20 -","- C568 H536 Cl8 F40 Gd40 N160 O160 -","8","1","","Liu, Cai-Ming; Hao, Xiang; Hu, Zhao-Bo; Wen, He-Rui","Solvent-dependent Ln(III) clusters assembled by immobilization of CO2 in the air: zero-field single-molecule magnets and magnetic refrigerant materials","Dalton Transactions","2024","","","","","10.1039/D4DT02310B","","x-ray","0.71073","MoKα","","0.0531","0.0429","","","0.1112","0.1175","","","","","","1.063","","","","has coordinates","295825","2024-11-07","23:48:23",""
"7717439","18.6686","0.0002","20.0759","0.0002","21.9073","0.0003","82.424","0.001","79.98","0.001","86.098","0.001","8006.24","0.16","170","0.3","170.15","","","","","","","","","7","P -1","-P 1","2","","","","- C118 H138.5 Cl6 F8 Gd8 N32 O51.25 -","- C103 H75 F8 Gd8 N32 O36 -","- C206 H150 F16 Gd16 N64 O72 -","2","1","","Liu, Cai-Ming; Hao, Xiang; Hu, Zhao-Bo; Wen, He-Rui","Solvent-dependent Ln(III) clusters assembled by immobilization of CO2 in the air: zero-field single-molecule magnets and magnetic refrigerant materials","Dalton Transactions","2024","","","","","10.1039/D4DT02310B","","","0.71073","MoKα","","0.0378","0.0281","","","0.0696","0.0733","","","","","","1.068","","","","has coordinates,has disorder","295825","2024-11-07","23:48:23",""
"7717440","14.6944","0.0001","17.5692","0.0002","21.476","0.0002","79.751","0.001","86.882","0.001","75.023","0.001","5270.42","0.09","170","0.1","170","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C90 H94 Cl2 Dy6 F6 N24 O28 -","- C90 H94 Cl2 Dy6 F6 N24 O28 -","- C180 H188 Cl4 Dy12 F12 N48 O56 -","2","1","","Liu, Cai-Ming; Hao, Xiang; Hu, Zhao-Bo; Wen, He-Rui","Solvent-dependent Ln(III) clusters assembled by immobilization of CO2 in the air: zero-field single-molecule magnets and magnetic refrigerant materials","Dalton Transactions","2024","","","","","10.1039/D4DT02310B","","x-ray","0.71073","MoKα","","0.022","0.019","","","0.0474","0.049","","","","","","1.031","","","","has coordinates,has disorder","295825","2024-11-07","23:48:23",""
"7717441","10.4679","0.0003","10.4679","0.0003","8.5012","0.0004","90","","90","","120","","806.73","0.05","153.15","","153.15","","","","","","","","","4","P 63","P 6c","173","","","","- K O4 P Zn -","- K O4 P Zn -","- K8 O32 P8 Zn8 -","8","1.33333","","Zhao, Jiawei; Wei, Wei; Chen, Meihui; Chen, Yanna; An, Donghai","Syntheses, structures and characterization of noncentrosymmetric MZnPO<sub>4</sub> (M = K, NH<sub>4</sub>).","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02530j","","","0.71073","MoKα","","0.0326","0.0325","","","0.0823","0.0825","","","","","","1.11","","","","has coordinates,has disorder","295826","2024-11-07","23:48:49",""
"7717442","10.3147","0.0014","10.3481","0.0015","12.0696","0.0016","111.089","0.004","93.623","0.004","90.726","0.004","1198.7","0.3","100.14","0.1","100.14","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C46 H45 N6 O14.5 Pb2 -","- C46 H45 N6 O14.5 Pb2 -","- C46 H45 N6 O14.5 Pb2 -","1","0.5","","., Janak; Sapner, Vijay Sarjerao; Sathe, Bhaskar Ramchandra; Khullar, Sadhika","Construction of efficient Pb(II) carboxylate catalysts for Oxygen and Hydrogen Evolution Reactions","Dalton Transactions","2024","","","","","10.1039/D4DT02958E","","","0.71073","MoKα","","0.0172","0.0167","","","0.0393","0.0395","","","","","","1.098","","","","has coordinates","295840","2024-11-08","23:46:13",""
"7717443","8.9986","0.0006","11.4619","0.0008","12.1271","0.0008","67.818","0.002","88.463","0.002","75.02","0.002","1115.36","0.13","100.14","0.1","100.14","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N3 O4 Pb -","- C26 H22 N3 O4 Pb -","- C52 H44 N6 O8 Pb2 -","2","1","","., Janak; Sapner, Vijay Sarjerao; Sathe, Bhaskar Ramchandra; Khullar, Sadhika","Construction of efficient Pb(II) carboxylate catalysts for Oxygen and Hydrogen Evolution Reactions","Dalton Transactions","2024","","","","","10.1039/D4DT02958E","","","0.71073","MoKα","","0.0184","0.0182","","","0.0454","0.0455","","","","","","1.08","","","","has coordinates","295840","2024-11-08","23:46:14",""
"7717444","20.8857","0.0005","10.4808","0.0003","26.6399","0.0006","90","","104.993","0.002","90","","5632.9","0.3","120","","120","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H50 Al B F36 N3 O4 P -","- C37 H43 Al B F36 N3 O4 P -","- C148 H172 Al4 B4 F144 N12 O16 P4 -","4","1","","Wojnowski, Tomasz; Ordyszewska, Anna; Halenka, Hanna; Anusiewicz, Iwona; Chojnacki, Jarosław; Kaniewska-Laskowska, Kinga; Grubba, Rafał","Activation of small molecules by ambiphilic NHC-stabilized phosphinoborenium cation: formation of boreniums with B-O-C, B-O-B, and B-O-P structural motifs","Dalton Transactions","2024","","","","","10.1039/D4DT02656J","","x-ray","1.54186","CuKα","","0.1064","0.0971","","","0.2403","0.2497","","","","","","1.071","","","","has coordinates,has disorder","295841","2024-11-08","23:47:04",""
"7717445","9.4236","0.0005","12.6085","0.0007","16.8265","0.0011","89.856","0.005","82.239","0.005","86.53","0.005","1977.3","0.2","120","2","120.15","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H56 B2 Br2 Cl4 N6 O -","- C28 H56 B2 Br2 Cl4 N6 O -","- C56 H112 B4 Br4 Cl8 N12 O2 -","2","1","","Wojnowski, Tomasz; Ordyszewska, Anna; Halenka, Hanna; Anusiewicz, Iwona; Chojnacki, Jarosław; Kaniewska-Laskowska, Kinga; Grubba, Rafał","Activation of small molecules by ambiphilic NHC-stabilized phosphinoborenium cation: formation of boreniums with B-O-C, B-O-B, and B-O-P structural motifs","Dalton Transactions","2024","","","","","10.1039/D4DT02656J","","","0.71073","MoKα","","0.1295","0.0797","","","0.1402","0.1647","","","","","","1.189","","","","has coordinates","295841","2024-11-08","23:47:05",""
"7717446","10.6429","0.0002","16.5905","0.0005","18.152","0.0004","90","","90","","90","","3205.12","0.13","120","","120","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C27 H48 B Br F2 N3 O P -","- C27 H48 B Br F2 N3 O P -","- C108 H192 B4 Br4 F8 N12 O4 P4 -","4","1","","Wojnowski, Tomasz; Ordyszewska, Anna; Halenka, Hanna; Anusiewicz, Iwona; Chojnacki, Jarosław; Kaniewska-Laskowska, Kinga; Grubba, Rafał","Activation of small molecules by ambiphilic NHC-stabilized phosphinoborenium cation: formation of boreniums with B-O-C, B-O-B, and B-O-P structural motifs","Dalton Transactions","2024","","","","","10.1039/D4DT02656J","","","0.71073","MoKα","","0.0527","0.0444","","","0.1029","0.1101","","","","","","1.146","","","","has coordinates","295841","2024-11-08","23:47:06",""
"7717447","10.7476","0.0019","15.641","0.003","15.787","0.004","75.25","0.017","81.06","0.017","84.851","0.015","2531.7","0.9","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C33 H26 Al B F45 N3 O5 -","- C33 H26 Al B F45 N3 O5 -","- C66 H52 Al2 B2 F90 N6 O10 -","2","1","","Wojnowski, Tomasz; Ordyszewska, Anna; Halenka, Hanna; Anusiewicz, Iwona; Chojnacki, Jarosław; Kaniewska-Laskowska, Kinga; Grubba, Rafał","Activation of small molecules by ambiphilic NHC-stabilized phosphinoborenium cation: formation of boreniums with B-O-C, B-O-B, and B-O-P structural motifs","Dalton Transactions","2024","","","","","10.1039/D4DT02656J","","","0.71073","MoKα","","0.1131","0.0555","","","0.0915","0.1103","","","","","","1.042","","","","has coordinates,has disorder","295841","2024-11-08","23:47:06",""
"7717448","17.9189","0.0009","16.7776","0.0008","18.8717","0.001","90","","115.592","0.004","90","","5116.9","0.5","120","","120","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 Al B Cl2 F38 N3 O5 -","- C33 H28 Al B Cl2 F38 N3 O5 -","- C132 H112 Al4 B4 Cl8 F152 N12 O20 -","4","1","","Wojnowski, Tomasz; Ordyszewska, Anna; Halenka, Hanna; Anusiewicz, Iwona; Chojnacki, Jarosław; Kaniewska-Laskowska, Kinga; Grubba, Rafał","Activation of small molecules by ambiphilic NHC-stabilized phosphinoborenium cation: formation of boreniums with B-O-C, B-O-B, and B-O-P structural motifs","Dalton Transactions","2024","","","","","10.1039/D4DT02656J","","","0.71073","MoKα","","0.1753","0.0948","","","0.1543","0.1967","","","","","","1.13","","","","has coordinates,has disorder","295841","2024-11-08","23:47:06",""
"7717449","17.1786","0.0005","17.1786","0.0005","24.7552","0.0006","90","","90","","90","","7305.4","0.3","100","0.1","100","0.1","","","","","","","","4","P 41 2 2","P 4w 2c","91","","","","- C66 H72 N6 P2 -","- C66 H72 N6 P2 -","- C264 H288 N24 P8 -","4","0.5","","Wang, Wenlong; Li, Cunyao; Wang, Wenhao; Qiu, Yuqin; Lu, Jinlong; Liu, Hongguang; Zhan, Yizhou; Yan, Li; Ding, Yunjie","Modular synthesis of triphenylphosphine-derived cage ligands for rhodium-catalyzed hydroformylation applications","Dalton Transactions","2024","","","","","10.1039/D4DT02627F","","x-ray","1.54184","CuKα","","0.0785","0.0679","","","0.1824","0.1946","","","","","","1.071","","","","has coordinates","295842","2024-11-08","23:47:55",""
"7717450","23.8636","0.0012","23.8636","0.0012","22.2433","0.001","90","","90","","120","","10969.9","0.9","250","2","250.01","","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C H Cl0.01 F N P -","- C2.36129 H2.0129 Cl0.0774194 F0.464516 N0.232258 P0.0774194 -","- C366 H312 Cl12 F72 N36 P12 -","155","12.9167","","Wang, Wenlong; Li, Cunyao; Wang, Wenhao; Qiu, Yuqin; Lu, Jinlong; Liu, Hongguang; Zhan, Yizhou; Yan, Li; Ding, Yunjie","Modular synthesis of triphenylphosphine-derived cage ligands for rhodium-catalyzed hydroformylation applications","Dalton Transactions","2024","","","","","10.1039/D4DT02627F","","","0.71073","MoKα","","0.1934","0.0992","","","0.2522","0.3238","","","","","","1.022","","","","has coordinates","295842","2024-11-08","23:47:57",""
"7717451","15.478","0.006","17.328","0.008","20.278","0.009","76.67","0.03","85.24","0.02","64.164","0.015","4762","4","230","2","229.97","","","","","","","","","7","P 1","P 1","1","","","","- C193 H187 Cl12 F17 N18 O2 P6 -","- C192 H182 Cl12 F18 N18 O2 P6 -","- C192 H182 Cl12 F18 N18 O2 P6 -","1","1","","Wang, Wenlong; Li, Cunyao; Wang, Wenhao; Qiu, Yuqin; Lu, Jinlong; Liu, Hongguang; Zhan, Yizhou; Yan, Li; Ding, Yunjie","Modular synthesis of triphenylphosphine-derived cage ligands for rhodium-catalyzed hydroformylation applications","Dalton Transactions","2024","","","","","10.1039/D4DT02627F","","","0.71073","MoKα","","0.1065","0.0737","","","0.196","0.2303","","","","","","1.028","","","","has coordinates","295842","2024-11-08","23:47:57",""
"7717452","20.4538","0.0007","21.7114","0.0006","42.2709","0.0012","90","","90.158","0.003","90","","18771.6","1","223","","223","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tetrakis[pentacyclo[9.5.1.1 3,9 .1 5,15 .1 7,13]octasiloxane-3,5,7,9,11,13,15-heptakis(2-methylpropyl)-1-yloxy]titanium(IV)","","- C112 H252 O52 Si32 Ti -","- C112 H252 O52 Si32 Ti -","- C448 H1008 O208 Si128 Ti4 -","4","1","","Saito, Shohei; Kawamura, Kenta; Sato, Naoto; Matsuno, Takamichi; Wada, Hiroaki; Kuroda, Kazuyuki; Shimojima, Atsushi","Titanosiloxanes Consisting of Tetrahedrally Coordinated Ti Cores and Branched Siloxane Cages","Dalton Transactions","2024","","","","","10.1039/D4DT02848A","","x-ray","0.71073","MoKα","","0.2066","0.1399","","","0.3672","0.4126","","","","","","1.325","","","","has coordinates,has disorder","295843","2024-11-08","23:49:15",""
"7717453","10.1477","0.0017","16.206","0.003","10.5149","0.0017","90","","94.258","0.016","90","","1724.4","0.5","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H34 N6 Ni O10 S2 -","- C32 H34 N6 Ni O10 S2 -","- C64 H68 N12 Ni2 O20 S4 -","2","1","","Icsel, Ceyda; Aydinlik, Seyma; Aygün, Muhittin; Yilmaz, Veysel T.","Cationic first-row transition metal saccharinate complexes with tris(2-pyridylmethyl)amine: Synthesis, structures and anticancer studies","Dalton Transactions","2024","","","","","10.1039/D4DT02258K","","x-ray","0.71073","MoKα","","0.081","0.052","","","0.0727","0.0839","","","","","","0.99","","","","has coordinates","295844","2024-11-08","23:49:48",""
"7717454","10.5153","0.0009","12.555","0.0011","13.0375","0.0014","62.831","0.01","80.017","0.008","84.164","0.007","1507.6","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H26 Cu N6 O6 S2 -","- C32 H26 Cu N6 O6 S2 -","- C64 H52 Cu2 N12 O12 S4 -","2","1","","Icsel, Ceyda; Aydinlik, Seyma; Aygün, Muhittin; Yilmaz, Veysel T.","Cationic first-row transition metal saccharinate complexes with tris(2-pyridylmethyl)amine: Synthesis, structures and anticancer studies","Dalton Transactions","2024","","","","","10.1039/D4DT02258K","","x-ray","0.71073","MoKα","","0.0945","0.0555","","","0.0925","0.1121","","","","","","1.031","","","","has coordinates","295844","2024-11-08","23:49:48",""
"7717455","18.776","0.008","19.465","0.007","19.694","0.006","99.02","0.03","112.39","0.03","116.69","0.04","5458","5","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H50 Cl2 Fe2 N10 O10 S2 -","- C50 H50 Cl2 Fe2 N10 O10 S2 -","- C200 H200 Cl8 Fe8 N40 O40 S8 -","4","2","","Icsel, Ceyda; Aydinlik, Seyma; Aygün, Muhittin; Yilmaz, Veysel T.","Cationic first-row transition metal saccharinate complexes with tris(2-pyridylmethyl)amine: Synthesis, structures and anticancer studies","Dalton Transactions","2024","","","","","10.1039/D4DT02258K","","","0.71073","MoKα","","0.2389","0.1241","","","0.3278","0.3835","","","","","","0.99","","","","has coordinates","295844","2024-11-08","23:49:49",""
"7717456","30.477","0.002","15.0603","0.0011","20.2126","0.0014","90","","122.327","0.0018","90","","7839.5","1","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H46 Br Mn N4 O2 -","- C35 H46 Br Mn N4 O2 -","- C280 H368 Br8 Mn8 N32 O16 -","8","1","","Kunert, Romain; Martelino, Diego; Mahato, Samyadeb; Hein, Nicholas; Pulfer, Jason; Philouze, Christian; Jarjayes, Olivier; Thomas, Fabrice; Storr, Tim","Investigating the formation of metal nitride complexes employing a tetradentate bis-carbene bis-phenolate ligand","Dalton Transactions","2024","","","","","10.1039/D4DT01765J","","","0.71073","MoKα","","0.0568","0.0382","","","0.0866","0.0935","","","","","","1.042","","","","has coordinates","295845","2024-11-08","23:50:40",""
"7717457","15.6595","0.0007","9.0777","0.0005","25.7615","0.0013","90","","90.347","0.003","90","","3662","0.3","273.15","","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H46 Br0.03 Mn N6.97 O2 -","- C35 H46 Br0.027 Mn N6.967 O2 -","- C140 H184 Br0.108 Mn4 N27.868 O8 -","4","1","","Kunert, Romain; Martelino, Diego; Mahato, Samyadeb; Hein, Nicholas; Pulfer, Jason; Philouze, Christian; Jarjayes, Olivier; Thomas, Fabrice; Storr, Tim","Investigating the formation of metal nitride complexes employing a tetradentate bis-carbene bis-phenolate ligand","Dalton Transactions","2024","","","","","10.1039/D4DT01765J","","","0.71073","MoKα","","0.0501","0.0331","","","0.0704","0.0768","","","","","","1.018","","","","has coordinates,has disorder","295845","2024-11-08","23:50:41",""
"7717458","8.1811","0.0016","13.29","0.003","20.518","0.004","96.27","0.03","96.47","0.03","106.01","0.03","2107.6","0.9","210","","210","","","","","","","","","5","P -1","-P 1","2","","","","- C38.25 H55.24 Cl2.5 N6.25 O3 -","- C38.249 H55.248 Cl2.498 N6.25 O3 -","- C76.498 H110.496 Cl4.996 N12.5 O6 -","2","1","","Kunert, Romain; Martelino, Diego; Mahato, Samyadeb; Hein, Nicholas; Pulfer, Jason; Philouze, Christian; Jarjayes, Olivier; Thomas, Fabrice; Storr, Tim","Investigating the formation of metal nitride complexes employing a tetradentate bis-carbene bis-phenolate ligand","Dalton Transactions","2024","","","","","10.1039/D4DT01765J","","","0.71073","MoKα","","0.0902","0.0642","","","0.1592","0.1818","","","","","","1.089","","","","has coordinates,has disorder","295845","2024-11-08","23:50:41",""
"7717459","15.7083","0.001","12.5593","0.0009","16.5802","0.0011","90","","96.354","0.002","90","","3250.9","0.4","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H46 Cr N5 O2 -","- C35 H46 Cr N5 O2 -","- C140 H184 Cr4 N20 O8 -","4","1","","Kunert, Romain; Martelino, Diego; Mahato, Samyadeb; Hein, Nicholas; Pulfer, Jason; Philouze, Christian; Jarjayes, Olivier; Thomas, Fabrice; Storr, Tim","Investigating the formation of metal nitride complexes employing a tetradentate bis-carbene bis-phenolate ligand","Dalton Transactions","2024","","","","","10.1039/D4DT01765J","","","0.71073","MoKα","","0.0432","0.0337","","","0.0898","0.0962","","","","","","1.026","","","","has coordinates","295845","2024-11-08","23:50:42",""
"7717460","11.1829","0.0003","10.4546","0.0003","12.7936","0.0003","90","","102.816","0.003","90","","1458.47","0.07","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H13 Fe N6 O5 S2 -","- C8 H13 Fe N6 O5 S2 -","- C32 H52 Fe4 N24 O20 S8 -","4","1","","Blagov, Maxim Andreevich; Akimov, Alexander V.; Lobach, Anatoly S.; Zorina, Leokadiya; Simonov, Sergey; Zakharov, Konstantin; Vasiliev, Alexander; Spitsyna, Natalia","Hydrate of neutral iron(III) complex based on pyruvic acid thiosemicarbazone ligand with abrupt spin-crossover with T1/2=340 K and wide hysteresis loop of 45 K","Dalton Transactions","2024","","","","","10.1039/D4DT02901A","","x-ray","0.71073","MoKα","","0.031","0.0256","","","0.0607","0.0636","","","","","","1.002","","","","has coordinates","295846","2024-11-08","23:51:08",""
"7717461","11.2865","0.0002","10.4627","0.0002","12.9417","0.0002","90","","102.964","0.0018","90","","1489.3","0.05","350","1","350","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H13 Fe N6 O5 S2 -","- C8 H13 Fe N6 O5 S2 -","- C32 H52 Fe4 N24 O20 S8 -","4","1","","Blagov, Maxim Andreevich; Akimov, Alexander V.; Lobach, Anatoly S.; Zorina, Leokadiya; Simonov, Sergey; Zakharov, Konstantin; Vasiliev, Alexander; Spitsyna, Natalia","Hydrate of neutral iron(III) complex based on pyruvic acid thiosemicarbazone ligand with abrupt spin-crossover with T1/2=340 K and wide hysteresis loop of 45 K","Dalton Transactions","2024","","","","","10.1039/D4DT02901A","","x-ray","0.71073","MoKα","","0.0493","0.0341","","","0.0778","0.0848","","","","","","1.003","","","","has coordinates","295846","2024-11-08","23:51:09",""
"7717462","10.3761","0.0003","10.7077","0.0003","12.8832","0.0004","68.299","0.003","68.228","0.002","81.243","0.002","1234.87","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H50 N8 O16 Sm2 -","- C45.9994 H49.9986 N7.9998 O15.9998 Sm2 -","- C45.9994 H49.9986 N7.9998 O15.9998 Sm2 -","1","0.5","","Vasileva, Alena A.; Demakov, Pavel A.; Guselnikova, Tatiana Y.; Ryadun, Alexey A.; Fedin, Vladimir P.; Dybtsev, Danil N.","Solvatomorphic Phase Transitions and Tunable Luminescence Emission in Lanthanide Metal-Organic Frameworks","Dalton Transactions","2024","","","","","10.1039/D4DT02613F","","x-ray","0.71073","MoKα","","0.0262","0.0233","","","0.054","0.0552","","","","","","1.051","","","","has coordinates,has disorder","295847","2024-11-08","23:51:43",""
"7717463","12.6382","0.0005","16.964","0.0005","12.8442","0.0005","90","","113.567","0.005","90","","2524.05","0.19","290","2","290","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H54 N8 O16 Sm2 -","- C48 H54 N8 O16 Sm2 -","- C96 H108 N16 O32 Sm4 -","2","0.5","","Vasileva, Alena A.; Demakov, Pavel A.; Guselnikova, Tatiana Y.; Ryadun, Alexey A.; Fedin, Vladimir P.; Dybtsev, Danil N.","Solvatomorphic Phase Transitions and Tunable Luminescence Emission in Lanthanide Metal-Organic Frameworks","Dalton Transactions","2024","","","","","10.1039/D4DT02613F","","x-ray","0.71073","MoKα","","0.0298","0.0215","","","0.0431","0.0453","","","","","","1.047","","","","has coordinates,has disorder","295847","2024-11-08","23:51:44",""
"7717464","12.9332","0.0004","13.7559","0.0003","16.2253","0.0005","90","","111.62","0.004","90","","2683.53","0.15","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H58 N8 O16 Sm2 -","- C50 H58 N8 O16 Sm2 -","- C100 H116 N16 O32 Sm4 -","2","0.5","","Vasileva, Alena A.; Demakov, Pavel A.; Guselnikova, Tatiana Y.; Ryadun, Alexey A.; Fedin, Vladimir P.; Dybtsev, Danil N.","Solvatomorphic Phase Transitions and Tunable Luminescence Emission in Lanthanide Metal-Organic Frameworks","Dalton Transactions","2024","","","","","10.1039/D4DT02613F","","x-ray","0.71073","MoKα","","0.0316","0.0284","","","0.0743","0.0775","","","","","","1.071","","","","has coordinates","295847","2024-11-08","23:51:45",""
"7717465","13.0555","0.0007","13.9456","0.0007","15.9707","0.0007","88.323","0.004","68.432","0.004","86.135","0.004","2698","0.2","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H58 N8 O16 Sm2 -","- C52 H58 N8 O16 Sm2 -","- C104 H116 N16 O32 Sm4 -","2","1","","Vasileva, Alena A.; Demakov, Pavel A.; Guselnikova, Tatiana Y.; Ryadun, Alexey A.; Fedin, Vladimir P.; Dybtsev, Danil N.","Solvatomorphic Phase Transitions and Tunable Luminescence Emission in Lanthanide Metal-Organic Frameworks","Dalton Transactions","2024","","","","","10.1039/D4DT02613F","","x-ray","0.71073","MoKα","","0.075","0.0603","","","0.1641","0.1735","","","","","","1.053","","","","has coordinates,has disorder","295847","2024-11-08","23:51:45",""
"7717466","8.811","0.0003","14.1384","0.0005","19.8289","0.0006","80.365","0.001","87.605","0.001","82.266","0.001","2412.69","0.14","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H24 Cl3 In N2 O -","- C23 H24 Cl3 In N2 O -","- C92 H96 Cl12 In4 N8 O4 -","4","2","","Gobbilla, Sai Kumar; Bano, Kulsum; Biswal, Priyabrata; Dey, Soumyadip; Kumar, Ravi; Sau, Abhijit; Chandrasekhar, Vadapalli; Kanti Panda, Tarun","Indium-Catalyzed Hydrosilylation of Nitroarenes to Aromatic Amines","Dalton Transactions","2024","","","","","10.1039/D4DT02861A","","","0.71073","MoKα","","0.0757","0.0374","","","0.0837","0.0968","","","","","","1.02","","","","has coordinates","295873","2024-11-11","23:56:35",""
"7717467","21.0292","0.0011","7.9555","0.0004","14.0135","0.0006","90","","112.329","0.002","90","","2168.64","0.19","273","2","273","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C18 H22 Cl2 In N2 O P S -","- C18 H22 Cl2 In N2 O P S -","- C72 H88 Cl8 In4 N8 O4 P4 S4 -","4","1","","Gobbilla, Sai Kumar; Bano, Kulsum; Biswal, Priyabrata; Dey, Soumyadip; Kumar, Ravi; Sau, Abhijit; Chandrasekhar, Vadapalli; Kanti Panda, Tarun","Indium-Catalyzed Hydrosilylation of Nitroarenes to Aromatic Amines","Dalton Transactions","2024","","","","","10.1039/D4DT02861A","","","0.71073","MoKα","","0.032","0.0289","","","0.0677","0.0688","","","","","","1.016","","","","has coordinates","295873","2024-11-11","23:56:37",""
"7717468","18.309","0.002","9.8212","0.0009","15.5256","0.0014","90","","115.026","0.003","90","","2529.7","0.4","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Cl In N6 O2 -","- C22 H32 Cl In N6 O2 -","- C88 H128 Cl4 In4 N24 O8 -","4","1","","Gobbilla, Sai Kumar; Bano, Kulsum; Biswal, Priyabrata; Dey, Soumyadip; Kumar, Ravi; Sau, Abhijit; Chandrasekhar, Vadapalli; Kanti Panda, Tarun","Indium-Catalyzed Hydrosilylation of Nitroarenes to Aromatic Amines","Dalton Transactions","2024","","","","","10.1039/D4DT02861A","","","0.71073","MoKα","","0.0536","0.0309","","","0.0611","0.0676","","","","","","1.019","","","","has coordinates","295873","2024-11-11","23:56:38",""
"7717469","10.5325","0.0005","20.4336","0.0008","11.6318","0.0006","90","","93.511","0.005","90","","2498.7","0.2","123.01","0.1","123.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Gallium mono-methoxy bis-N-benzyl-N-phenylhydroxamate","","- C27 H23 Ga N2 O5 -","- C27 H23 Ga N2 O5 -","- C108 H92 Ga4 N8 O20 -","4","1","","Duffin, Rebekah N.; Kelderman, Jenisi; Herdman, Megan; Andrews, Philip Craig","Highly selective organo-gallium hydroxamate mediated inhibition of antibiotic resistant Klebsiella pneumoniae","Dalton Transactions","2024","","","","","10.1039/D4DT02440K","","x-ray","0.71073","MoKα","","0.1237","0.091","","","0.1595","0.169","","","","","","1.185","","","","has coordinates","295874","2024-11-11","23:57:54",""
"7717470","13.4603","0.0009","13.4603","0.0009","10.2309","0.0008","90","","90","","120","","1605.3","0.2","123","0.1","123","0.1","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","Iron tris-N-benzyl-N-phenylhydroxamate","","- C6.5 H5 Fe0.17 N0.5 O -","- C6.5 H5 Fe0.166667 N0.5 O -","- C78 H60 Fe2 N6 O12 -","12","1","","Duffin, Rebekah N.; Kelderman, Jenisi; Herdman, Megan; Andrews, Philip Craig","Highly selective organo-gallium hydroxamate mediated inhibition of antibiotic resistant Klebsiella pneumoniae","Dalton Transactions","2024","","","","","10.1039/D4DT02440K","","x-ray","0.71073","MoKα","","0.1012","0.0838","","","0.2249","0.2421","","","","","","1.071","","","","has coordinates,has disorder","295874","2024-11-11","23:57:56",""
"7717471","13.3905","0.0002","13.3905","0.0002","10.3009","0.0003","90","","90","","120","","1599.56","0.06","123","2","123","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","Gallium tris-N-benzyl-N-phenylhydroxamate","","- C39 H30 Ga N3 O6 -","- C39 H30 Ga N3 O6 -","- C78 H60 Ga2 N6 O12 -","2","0.166667","","Duffin, Rebekah N.; Kelderman, Jenisi; Herdman, Megan; Andrews, Philip Craig","Highly selective organo-gallium hydroxamate mediated inhibition of antibiotic resistant Klebsiella pneumoniae","Dalton Transactions","2024","","","","","10.1039/D4DT02440K","","","1.54184","CuKα","","0.0552","0.0532","","","0.1493","0.1512","","","","","","1.067","","","","has coordinates,has disorder","295874","2024-11-11","23:57:56",""
"7717472","6.9024","0.0002","14.1349","0.0004","37.0932","0.0011","90","","90","","90","","3618.99","0.18","122.99","0.11","122.99","0.11","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H24 Ga3 N O3 -","- C13 H24 Ga3 N O3 -","- C104 H192 Ga24 N8 O24 -","8","1","","Duffin, Rebekah N.; Kelderman, Jenisi; Herdman, Megan; Andrews, Philip Craig","Highly selective organo-gallium hydroxamate mediated inhibition of antibiotic resistant Klebsiella pneumoniae","Dalton Transactions","2024","","","","","10.1039/D4DT02440K","","x-ray","1.54184","CuKα","","0.051","0.0429","","","0.1029","0.1069","","","","","","1.061","","","","has coordinates","295874","2024-11-11","23:57:57",""
"7717473","9.7967","0.0003","13.91","0.0003","10.3884","0.0003","90","","93.174","0.002","90","","1413.48","0.07","123","0.1","123","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dimethylgallium N-phenylbenzohydroxamate","","- C15 H16 Ga N O2 -","- C15 H16 Ga N O2 -","- C60 H64 Ga4 N4 O8 -","4","1","","Duffin, Rebekah N.; Kelderman, Jenisi; Herdman, Megan; Andrews, Philip Craig","Highly selective organo-gallium hydroxamate mediated inhibition of antibiotic resistant Klebsiella pneumoniae","Dalton Transactions","2024","","","","","10.1039/D4DT02440K","","x-ray","0.71073","MoKα","","0.0442","0.0303","","","0.0702","0.0741","","","","","","1.086","","","","has coordinates","295874","2024-11-11","23:57:58",""
"7717474","22.5883","0.0009","22.5883","0.0009","16.7968","0.001","90","","90","","90","","8570.3","0.7","123","","123","","","","","","","","","5","I 41/a :2","-I 4ad","88","","mono-methyl gallium bis-benzohydroxamate","","- C22 H23 Ga N2 O4 -","- C22 H23 Ga N2 O4 -","- C352 H368 Ga16 N32 O64 -","16","1","","Duffin, Rebekah N.; Kelderman, Jenisi; Herdman, Megan; Andrews, Philip Craig","Highly selective organo-gallium hydroxamate mediated inhibition of antibiotic resistant Klebsiella pneumoniae","Dalton Transactions","2024","","","","","10.1039/D4DT02440K","","","0.71073","MoKα","","0.0654","0.0295","","","0.0368","0.0406","","","","","","0.651","","","","has coordinates","295874","2024-11-11","23:58:01",""
"7717475","9.7644","0.0001","12.3593","0.0001","22.2325","0.0003","85.471","0.001","86.098","0.001","77.38","0.001","2606.49","0.05","123","0.1","123","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H62 Ga8 N2 O8 -","- C40 H62 Ga8 N2 O8 -","- C80 H124 Ga16 N4 O16 -","2","1","","Duffin, Rebekah N.; Kelderman, Jenisi; Herdman, Megan; Andrews, Philip Craig","Highly selective organo-gallium hydroxamate mediated inhibition of antibiotic resistant Klebsiella pneumoniae","Dalton Transactions","2024","","","","","10.1039/D4DT02440K","","x-ray","1.54184","CuKα","","0.0497","0.0451","","","0.1248","0.1285","","","","","","1.112","","","","has coordinates","295874","2024-11-11","23:58:04",""
"7717476","14.3324","0.0003","9.3198","0.0002","18.1798","0.0004","90","","98.647","0.002","90","","2400.77","0.09","123.01","0.13","123.01","0.13","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","mono-methyl gallium bis-N-Benzoyl-N-phenylhydroxamate","","- C27 H23 Ga N2 O4 -","- C27 H23 Ga N2 O4 -","- C108 H92 Ga4 N8 O16 -","4","1","","Duffin, Rebekah N.; Kelderman, Jenisi; Herdman, Megan; Andrews, Philip Craig","Highly selective organo-gallium hydroxamate mediated inhibition of antibiotic resistant Klebsiella pneumoniae","Dalton Transactions","2024","","","","","10.1039/D4DT02440K","","x-ray","0.71073","MoKα","","0.0545","0.0393","","","0.0887","0.0936","","","","","","1.024","","","","has coordinates","295874","2024-11-11","23:58:04",""
"7717477","9.5392","0.0002","16.116","0.0003","18.3419","0.0003","81.786","0.002","79.192","0.002","89.248","0.002","2741.06","0.09","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H55 Ag2 B2 Fe N9 P2 S4 -","- C52 H55 Ag2 B2 Fe N9 P2 S4 -","- C104 H110 Ag4 B4 Fe2 N18 P4 S8 -","2","1","","Kakavand, Meysam; Kozakiewicz-Piekarz, Anna; Neshat, Abdollah","Stable homogeneous silver(I) catalysts for the highly efficient cycloaddition of azides onto terminal alkynes in water.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18458","18461","10.1039/d4dt02825b","","","1.54184","CuKα","","0.0478","0.0446","","","0.1137","0.1155","","","","","","1.088","","","","has coordinates","296565","2024-12-06","18:52:28",""
"7717478","12.8144","0.0003","13.4377","0.0003","14.5283","0.0002","75.994","0.002","82.191","0.002","72.494","0.002","2309.54","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C102 H84 Ag2 B2 F8 Fe3 P6 -","- C102 H84 Ag2 B2 F8 Fe3 P6 -","- C102 H84 Ag2 B2 F8 Fe3 P6 -","1","0.5","","Kakavand, Meysam; Kozakiewicz-Piekarz, Anna; Neshat, Abdollah","Stable homogeneous silver(I) catalysts for the highly efficient cycloaddition of azides onto terminal alkynes in water.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18458","18461","10.1039/d4dt02825b","","","1.54184","CuKα","","0.0556","0.0502","","","0.1324","0.1361","","","","","","1.041","","","","has coordinates","296565","2024-12-06","18:52:29",""
"7717479","10.8428","0.0005","12.8667","0.0006","13.2049","0.0007","71.4184","0.0017","72.7316","0.0016","81.3449","0.0017","1664.3","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","MO_109","","","- C28 H29 Co N15 O11 -","- C28 H29 Co N15 O11 -","- C56 H58 Co2 N30 O22 -","2","1","","Rama-Martínez, Gustavo; Osorio-Celis, Marcelo; Sabater-Algarra, Yolanda; Sánchez-Brunete, Diego; Llamas-Saiz, Antonio L; Quirós-Díez, Eugenia P; Vázquez, M Eugenio; Vázquez López, Miguel; Giménez López, María Del Carmen","Single-ion magnetism in novel Btp-based cobalt complexes of different charge.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18515","18527","10.1039/d4dt02338b","","","0.71073","MoKα","","0.0681","0.0488","","","0.1138","0.128","","","","","","1.142","","","","has coordinates,has disorder","296568","2024-12-06","18:53:16",""
"7717480","10.8758","0.001","15.7999","0.0014","22.4832","0.0018","102.685","0.003","100.768","0.003","106.576","0.003","3481.5","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","MO282 - 21GLA227","","","- C26 H27 Cl Co N14 O15 -","- C25.994 H26.994 Cl Co N13.9955 O14.997 -","- C103.976 H107.976 Cl4 Co4 N55.982 O59.988 -","4","2","","Rama-Martínez, Gustavo; Osorio-Celis, Marcelo; Sabater-Algarra, Yolanda; Sánchez-Brunete, Diego; Llamas-Saiz, Antonio L; Quirós-Díez, Eugenia P; Vázquez, M Eugenio; Vázquez López, Miguel; Giménez López, María Del Carmen","Single-ion magnetism in novel Btp-based cobalt complexes of different charge.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18515","18527","10.1039/d4dt02338b","","","0.71073","MoKα","","0.1161","0.0737","","","0.1913","0.22","","","","","","1.054","","","","has coordinates,has disorder","296568","2024-12-06","18:53:17",""
"7717481","12.4084","0.0003","15.0996","0.0004","17.2362","0.0005","70.526","0.001","76.111","0.001","70.281","0.001","2836.36","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","DS-2 - 20GLA002","","","- C44 H62 Cl2 Co N14 O18 -","- C42 H54 Cl2 Co N14 O16 -","- C84 H108 Cl4 Co2 N28 O32 -","2","1","","Rama-Martínez, Gustavo; Osorio-Celis, Marcelo; Sabater-Algarra, Yolanda; Sánchez-Brunete, Diego; Llamas-Saiz, Antonio L; Quirós-Díez, Eugenia P; Vázquez, M Eugenio; Vázquez López, Miguel; Giménez López, María Del Carmen","Single-ion magnetism in novel Btp-based cobalt complexes of different charge.","Dalton transactions (Cambridge, England : 2003)","2024","53","46","18515","18527","10.1039/d4dt02338b","","","0.71073","MoKα","","0.0629","0.0415","","","0.0834","0.0929","","","","","","1.022","","","","has coordinates,has disorder","296568","2024-12-06","18:53:17",""
"7717482","10.2755","0.0001","26.0316","0.0002","16.4282","0.0002","90","","105.852","0.001","90","","4227.23","0.08","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H50 Dy2 N4 O18 -","- C35 H50 Dy2 N4 O18 -","- C140 H200 Dy8 N16 O72 -","4","1","","Yang, Yue; Wang, Yu-Xia; Lei, Yu-Zhe; Cheng, Peng","Asymmetric triply bridged lanthanide binuclear clusters with distinctly different magnetic behaviors","Dalton Transactions","2024","","","","","10.1039/D4DT02652G","","x-ray","1.54184","CuKα","","0.044","0.0389","","","0.0924","0.0944","","","","","","1.073","","","","has coordinates","295894","2024-11-13","00:03:21",""
"7717483","10.3156","0.0002","26.0237","0.0004","16.4697","0.0002","90","","105.754","0.002","90","","4255.21","0.12","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H50 Gd2 N4 O18 -","- C35 H50 Gd2 N4 O18 -","- C140 H200 Gd8 N16 O72 -","4","1","","Yang, Yue; Wang, Yu-Xia; Lei, Yu-Zhe; Cheng, Peng","Asymmetric triply bridged lanthanide binuclear clusters with distinctly different magnetic behaviors","Dalton Transactions","2024","","","","","10.1039/D4DT02652G","","x-ray","1.54184","CuKα","","0.0463","0.0409","","","0.1005","0.1032","","","","","","1.088","","","","has coordinates","295894","2024-11-13","00:03:22",""
"7717484","14.268","0.001","23.3514","0.0016","18.7576","0.0013","90","","96.391","0.005","90","","6210.8","0.7","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C71 H88 N4 P4 -","- C71 H88 N4 P4 -","- C284 H352 N16 P16 -","4","1","","Ziółkowska, Aleksandra; Kruczyński, Tomasz; Gudat, Dietrich; Ponikiewski, Łukasz","Phosphanylphosphaalkenes as precursors for metallaphosphaalkene complexes","Dalton Transactions","2024","","","","","10.1039/D4DT03012E","","x-ray","0.71073","MoKα","","0.1605","0.0839","","","0.1429","0.1775","","","","","","1.111","","","","has coordinates","295908","2024-11-13","23:49:48",""
"7717485","7.4357","0.0004","11.5604","0.0006","13.4708","0.0006","94.14","0.004","94.656","0.004","98.498","0.004","1137.28","0.1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H34 Cl3 N2 P Ru -","- C18 H34 Cl3 N2 P Ru -","- C36 H68 Cl6 N4 P2 Ru2 -","2","1","","Ziółkowska, Aleksandra; Kruczyński, Tomasz; Gudat, Dietrich; Ponikiewski, Łukasz","Phosphanylphosphaalkenes as precursors for metallaphosphaalkene complexes","Dalton Transactions","2024","","","","","10.1039/D4DT03012E","","x-ray","1.54186","CuKα","","0.0644","0.0544","","","0.1403","0.1528","","","","","","1.131","","","","has coordinates","295908","2024-11-13","23:49:52",""
"7717486","17.1259","0.0016","10.8384","0.0007","23.062","0.002","90","","106.613","0.008","90","","4102","0.6","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H60 N4 P4 -","- C42 H60 N4 P4 -","- C168 H240 N16 P16 -","4","0.5","","Ziółkowska, Aleksandra; Kruczyński, Tomasz; Gudat, Dietrich; Ponikiewski, Łukasz","Phosphanylphosphaalkenes as precursors for metallaphosphaalkene complexes","Dalton Transactions","2024","","","","","10.1039/D4DT03012E","","x-ray","0.71073","MoKα","","0.179","0.1031","","","0.2545","0.3186","","","","","","1.012","","","","has coordinates,has disorder","295908","2024-11-13","23:49:52",""
"7717487","19.666","0.0009","9.8948","0.0003","23.2825","0.0011","90","","104.656","0.004","90","","4383.2","0.3","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H74 Li2 N4 O2 P4 Si2 -","- C30 H74 Li2 N4 O2 P4 Si2 -","- C120 H296 Li8 N16 O8 P16 Si8 -","4","0.5","","Ziółkowska, Aleksandra; Kruczyński, Tomasz; Gudat, Dietrich; Ponikiewski, Łukasz","Phosphanylphosphaalkenes as precursors for metallaphosphaalkene complexes","Dalton Transactions","2024","","","","","10.1039/D4DT03012E","","x-ray","0.71073","MoKα","","0.0907","0.0444","","","0.0976","0.1113","","","","","","1.027","","","","has coordinates","295908","2024-11-13","23:49:53",""
"7717488","9.8631","0.0004","20.3925","0.0011","28.0508","0.0014","90","","90","","90","","5641.9","0.5","120","2","120","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C33 H36 P2 -","- C33 H36 P2 -","- C264 H288 P16 -","8","1","","Ziółkowska, Aleksandra; Kruczyński, Tomasz; Gudat, Dietrich; Ponikiewski, Łukasz","Phosphanylphosphaalkenes as precursors for metallaphosphaalkene complexes","Dalton Transactions","2024","","","","","10.1039/D4DT03012E","","x-ray","0.71073","MoKα","","0.188","0.0998","","","0.1532","0.1932","","","","","","1.209","","","","has coordinates,has disorder","295908","2024-11-13","23:49:53",""
"7717489","10.1085","0.0004","14.1466","0.0006","14.9037","0.0007","66.843","0.003","72.498","0.003","83.439","0.003","1868.8","0.15","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 Cl3 P Ru2 -","- C40 H46 Cl3 P Ru2 -","- C80 H92 Cl6 P2 Ru4 -","2","1","","Ziółkowska, Aleksandra; Kruczyński, Tomasz; Gudat, Dietrich; Ponikiewski, Łukasz","Phosphanylphosphaalkenes as precursors for metallaphosphaalkene complexes","Dalton Transactions","2024","","","","","10.1039/D4DT03012E","","x-ray","0.71073","MoKα","","0.0896","0.0702","","","0.2138","0.2326","","","","","","1.09","","","","has coordinates","295908","2024-11-13","23:49:53",""
"7717490","16.3325","0.0005","16.6265","0.0005","16.9118","0.0005","74.161","0.002","78.653","0.002","87.765","0.002","4331.2","0.2","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H46 Cl3 P Ru2 -","- C45 H46 Cl3 P Ru2 -","- C180 H184 Cl12 P4 Ru8 -","4","2","","Ziółkowska, Aleksandra; Kruczyński, Tomasz; Gudat, Dietrich; Ponikiewski, Łukasz","Phosphanylphosphaalkenes as precursors for metallaphosphaalkene complexes","Dalton Transactions","2024","","","","","10.1039/D4DT03012E","","x-ray","0.71073","MoKα","","0.0655","0.0481","","","0.1186","0.1327","","","","","","1.015","","","","has coordinates","295908","2024-11-13","23:49:54",""
"7717491","9.434","0.003","9.825","0.002","22.843","0.006","78.484","0.015","81.149","0.019","67.19","0.015","1905.6","0.9","149.89","","149.89","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20.5 Cl3 N P -","- C18 H20.5 Cl3 N P -","- C72 H82 Cl12 N4 P4 -","4","2","","Miao, Linkun; Yeganeh, Amir; Yeung, Jason; Stephan, Douglas W.","Synthesis and N-C Bond Cleavage Reactions for Cyclic Phosphazenium Dications","Dalton Transactions","2024","","","","","10.1039/D4DT02990A","","","0.71073","MoKα","","0.1031","0.06","","","0.1432","0.1702","","","","","","1.014","","","","has coordinates","295909","2024-11-13","23:50:45",""
"7717492","16.6188","0.0012","8.6367","0.0005","18.7451","0.0013","90","","111.367","0.004","90","","2505.6","0.3","149.46","","149.46","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 Cl N P2 -","- C30 H24 Cl N P2 -","- C120 H96 Cl4 N4 P8 -","4","1","","Miao, Linkun; Yeganeh, Amir; Yeung, Jason; Stephan, Douglas W.","Synthesis and N-C Bond Cleavage Reactions for Cyclic Phosphazenium Dications","Dalton Transactions","2024","","","","","10.1039/D4DT02990A","","","0.71073","MoKα","","0.0432","0.031","","","0.0712","0.0792","","","","","","1.047","","","","has coordinates","295909","2024-11-13","23:50:46",""
"7717493","9.0219","0.0005","35.5977","0.0017","11.0777","0.0005","90","","99.014","0.003","90","","3513.8","0.3","150.01","","150.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 B2 Cl6 F6 P2 -","- C31 H26 B2 Cl6 F6 P2 -","- C124 H104 B8 Cl24 F24 P8 -","4","1","","Miao, Linkun; Yeganeh, Amir; Yeung, Jason; Stephan, Douglas W.","Synthesis and N-C Bond Cleavage Reactions for Cyclic Phosphazenium Dications","Dalton Transactions","2024","","","","","10.1039/D4DT02990A","","","0.71073","MoKα","","0.0737","0.0591","","","0.1433","0.1525","","","","","","1.043","","","","has coordinates","295909","2024-11-13","23:50:46",""
"7717494","15.5651","0.0011","21.2162","0.0011","23.6425","0.0016","90","","101.146","0.006","90","","7660.2","0.9","149.99","","149.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C75 H27 B2 F40 N P2 -","- C75 H27 B2 F40 N P2 -","- C300 H108 B8 F160 N4 P8 -","4","0.5","","Miao, Linkun; Yeganeh, Amir; Yeung, Jason; Stephan, Douglas W.","Synthesis and N-C Bond Cleavage Reactions for Cyclic Phosphazenium Dications","Dalton Transactions","2024","","","","","10.1039/D4DT02990A","","","0.71073","MoKα","","0.1172","0.0657","","","0.1558","0.1973","","","","","","1.012","","","","has coordinates,has disorder","295909","2024-11-13","23:50:46",""
"7717495","8.5689","0.0018","3.941","0.0009","11.66","0.003","90","","90","","90","","393.76","0.16","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C2 N2 O2 Pb -","- C2 N2 O2 Pb -","- C8 N8 O8 Pb4 -","4","0.5","","Shlyaykher, Alena; Zivkovic, Aleksandar; Günther, Hennes; Barba, Anna Lea; De Leeuw, Nora Henriette; Tambornino, Frank","Syntheses, XRD- and DFT studies on Pb[ChCN]2 (Ch=O, S, Se) and Pb[SeCN][OH]","Dalton Transactions","2024","","","","","10.1039/D4DT02830A","","x-ray","0.71073","MoKα","K-L~2,3~","0.0641","0.0415","","","0.0931","0.097","","","","","","0.9","","","","has coordinates","295920","2024-11-14","23:49:03",""
"7717496","9.6128","0.0009","6.5306","0.0006","8.1913","0.0007","90","","92.734","0.007","90","","513.64","0.08","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Pb(SCN)2","","- C2 N2 Pb S2 -","- C2 N2 Pb S2 -","- C8 N8 Pb4 S8 -","4","0.5","","Shlyaykher, Alena; Zivkovic, Aleksandar; Günther, Hennes; Barba, Anna Lea; De Leeuw, Nora Henriette; Tambornino, Frank","Syntheses, XRD- and DFT studies on Pb[ChCN]2 (Ch=O, S, Se) and Pb[SeCN][OH]","Dalton Transactions","2024","","","","","10.1039/D4DT02830A","","x-ray","0.71073","MoKα","K-L~2,3~","0.013","0.0124","","","0.0303","0.0304","","","","","","1.168","","","","has coordinates","295920","2024-11-14","23:49:04",""
"7717497","8.6244","0.0002","4.1674","0.0004","11.5412","0.0006","90","","90","","90","","414.81","0.05","180.15","","180.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C H N O Pb Se -","- C H N O Pb Se -","- C4 H4 N4 O4 Pb4 Se4 -","4","0.5","","Shlyaykher, Alena; Zivkovic, Aleksandar; Günther, Hennes; Barba, Anna Lea; De Leeuw, Nora Henriette; Tambornino, Frank","Syntheses, XRD- and DFT studies on Pb[ChCN]2 (Ch=O, S, Se) and Pb[SeCN][OH]","Dalton Transactions","2024","","","","","10.1039/D4DT02830A","","x-ray","0.71073","MoKα","K-L~2,3~","0.0268","0.0232","","","0.0551","0.0555","","","","","","1.084","","","","has coordinates","295920","2024-11-14","23:49:04",""
"7717498","12.479","0.002","4.2277","0.0009","10.6523","0.0017","90","","90","","90","","561.99","0.17","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C2 N2 Pb Se2 -","- C2 N2 Pb Se2 -","- C8 N8 Pb4 Se8 -","4","0.5","","Shlyaykher, Alena; Zivkovic, Aleksandar; Günther, Hennes; Barba, Anna Lea; De Leeuw, Nora Henriette; Tambornino, Frank","Syntheses, XRD- and DFT studies on Pb[ChCN]2 (Ch=O, S, Se) and Pb[SeCN][OH]","Dalton Transactions","2024","","","","","10.1039/D4DT02830A","","x-ray","0.71073","MoKα","","0.0397","0.0377","","","0.0935","0.0948","","","","","","1.142","","","","has coordinates","295920","2024-11-14","23:49:04",""
"7717499","8.1646","0.001","28.713","0.004","13.7242","0.0017","90","","95.542","0.002","90","","3202.3","0.7","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 Cl3 N3 O3 P2 Pd -","- C25 H38 Cl3 N3 O3 P2 Pd -","- C100 H152 Cl12 N12 O12 P8 Pd4 -","4","1","","Serrano-García, Juan Sebastián; Garcia Eleno , Marco Antonio; Arenaza-Corona, Antonino; Rufino-Felipe, Ernesto; Valdes, Hugo; Hernandez Ortega, Simon; Morales-Morales, David","Simple and easy functionalization of para–hydroxy POCOP–M (M=Ni(II), Pd(II)) pincer complexes: Synthesis of multimetallic species","Dalton Transactions","2024","","","","","10.1039/D4DT02841D","","","0.71073","MoKα","","0.1333","0.0698","","","0.158","0.1926","","","","","","1.015","","","","has coordinates,has disorder","295922","2024-11-14","23:49:53",""
"7717500","8.0717","0.0009","28.421","0.003","13.667","0.0014","90","","94.878","0.002","90","","3123.9","0.6","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 Cl3 N3 Ni O3 P2 -","- C25 H38 Cl3 N3 Ni O3 P2 -","- C100 H152 Cl12 N12 Ni4 O12 P8 -","4","1","","Serrano-García, Juan Sebastián; Garcia Eleno , Marco Antonio; Arenaza-Corona, Antonino; Rufino-Felipe, Ernesto; Valdes, Hugo; Hernandez Ortega, Simon; Morales-Morales, David","Simple and easy functionalization of para–hydroxy POCOP–M (M=Ni(II), Pd(II)) pincer complexes: Synthesis of multimetallic species","Dalton Transactions","2024","","","","","10.1039/D4DT02841D","","","0.71073","MoKα","","0.0842","0.0444","","","0.0661","0.0734","","","","","","0.806","","","","has coordinates,has disorder","295922","2024-11-14","23:49:59",""
"7717501","12.4109","0.0006","14.2844","0.0007","20.6999","0.001","70.055","0.001","85.498","0.001","68.175","0.001","3197.4","0.3","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C47 H76 Cl3 N3 Ni0.52 O6 P4 Pd1.48 -","- C47 H76 Cl3 N3 Ni0.517 O6 P4 Pd1.483 -","- C94 H152 Cl6 N6 Ni1.034 O12 P8 Pd2.966 -","2","1","","Serrano-García, Juan Sebastián; Garcia Eleno , Marco Antonio; Arenaza-Corona, Antonino; Rufino-Felipe, Ernesto; Valdes, Hugo; Hernandez Ortega, Simon; Morales-Morales, David","Simple and easy functionalization of para–hydroxy POCOP–M (M=Ni(II), Pd(II)) pincer complexes: Synthesis of multimetallic species","Dalton Transactions","2024","","","","","10.1039/D4DT02841D","","","0.71073","MoKα","","0.2074","0.0908","","","0.1997","0.2552","","","","","","0.999","","","","has coordinates,has disorder","295922","2024-11-14","23:50:00",""
"7717502","15.954","0.007","18.038","0.007","18.358","0.008","106.251","0.006","109.017","0.006","92.856","0.006","4737","3","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H41 F12 N3 Ni O3 P2 S3 -","- C43 H41 F12 N3 Ni O3 P2 S3 -","- C172 H164 F48 N12 Ni4 O12 P8 S12 -","4","2","","Serrano-García, Juan Sebastián; Garcia Eleno , Marco Antonio; Arenaza-Corona, Antonino; Rufino-Felipe, Ernesto; Valdes, Hugo; Hernandez Ortega, Simon; Morales-Morales, David","Simple and easy functionalization of para–hydroxy POCOP–M (M=Ni(II), Pd(II)) pincer complexes: Synthesis of multimetallic species","Dalton Transactions","2024","","","","","10.1039/D4DT02841D","","","0.71073","MoKα","","0.3453","0.0864","","","0.1564","0.255","","","","","","0.923","","","","has coordinates","295922","2024-11-14","23:50:00",""
"7717503","17.715","0.0002","11.4825","0.00012","28.1918","0.0003","90","","99.3892","0.0012","90","","5657.74","0.11","293","2","293","2","","","","","","","","9","P 1 2/c 1","-P 2yc","13","","","","- C58 H55.2 Cl F6 N2 O3.6 P5 Ru S -","- C58 H50 Cl F6 N2 O P5 Ru S -","- C232 H200 Cl4 F24 N8 O4 P20 Ru4 S4 -","4","1","","da Silva, Nádija Natalice Paixão; Palmeira-Mello, Marcos V.; Oliveira Acésio, Nathália; Moraes, Carlos André F; Honorato, João; Castellano, Eduardo; Tavares, Denise Crispim; de Oliveira, Katia Mara Mara; Batista, Alzir A.","Ru(II)-Diphosphine/N,S-Mercapto Complexes and Their Anti-melanoma Properties","Dalton Transactions","2024","","","","","10.1039/D4DT02575J","","x-ray","0.71073","MoKα","","0.0484","0.0433","","","0.1008","0.1047","","","","","","1.111","","","","has coordinates,has disorder","295923","2024-11-14","23:51:17",""
"7717504","21.8405","0.0003","13.02075","0.00015","21.5213","0.0003","90","","108.664","0.0013","90","","5798.38","0.14","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C28 H23 F6 N6 O2 P Ru S -","- C28 H21 F6 N6 O P Ru S -","- C224 H168 F48 N48 O8 P8 Ru8 S8 -","8","1","","da Silva, Nádija Natalice Paixão; Palmeira-Mello, Marcos V.; Oliveira Acésio, Nathália; Moraes, Carlos André F; Honorato, João; Castellano, Eduardo; Tavares, Denise Crispim; de Oliveira, Katia Mara Mara; Batista, Alzir A.","Ru(II)-Diphosphine/N,S-Mercapto Complexes and Their Anti-melanoma Properties","Dalton Transactions","2024","","","","","10.1039/D4DT02575J","","x-ray","1.54184","CuKα","","0.0375","0.0359","","","0.0906","0.0916","","","","","","1.037","","","","has coordinates","295923","2024-11-14","23:51:17",""
"7717505","15.2901","0.0003","11.7639","0.0003","16.7665","0.0002","90","","94.0784","0.0016","90","","3008.17","0.1","100","1","100","1","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C63 H61 F6 N2 O3 P5 Ru S -","- C61 H55 F6 N2 O2 P5 Ru S -","- C122 H110 F12 N4 O4 P10 Ru2 S2 -","2","1","","da Silva, Nádija Natalice Paixão; Palmeira-Mello, Marcos V.; Oliveira Acésio, Nathália; Moraes, Carlos André F; Honorato, João; Castellano, Eduardo; Tavares, Denise Crispim; de Oliveira, Katia Mara Mara; Batista, Alzir A.","Ru(II)-Diphosphine/N,S-Mercapto Complexes and Their Anti-melanoma Properties","Dalton Transactions","2024","","","","","10.1039/D4DT02575J","","x-ray","1.54184","CuKα","","0.0615","0.0586","","","0.1445","0.1468","","","","","","1.0444","","","","has coordinates","295923","2024-11-14","23:51:17",""
"7717506","6.982","0.004","21.445","0.011","7.808","0.004","90","","114.861","0.007","90","","1060.7","1","143","2","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 B F N2 O2 -","- C12 H8 B F N2 O2 -","- C48 H32 B4 F4 N8 O8 -","4","1","","Nakamura, Masashi; Gon, Masayuki; Tanaka, Kazuo","Contribution of Radiative Rate Constants to Crystallization-Induced Emission Enhancement in Boron-Fused Azobenzene Complexes","Dalton Transactions","2024","","","","","10.1039/D4DT02458C","","","0.71075","MoKα","","0.0808","0.0513","","","0.1016","0.1117","","","","","","0.805","","","","has coordinates,has disorder","295954","2024-11-15","23:45:50",""
"7717507","21.821","0.014","6.154","0.003","18.764","0.012","90","","120.182","0.008","90","","2178","2","143","2","143","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H6 B F3 N2 O2 -","- C12 H6 B F3 N2 O2 -","- C96 H48 B8 F24 N16 O16 -","8","1","","Nakamura, Masashi; Gon, Masayuki; Tanaka, Kazuo","Contribution of Radiative Rate Constants to Crystallization-Induced Emission Enhancement in Boron-Fused Azobenzene Complexes","Dalton Transactions","2024","","","","","10.1039/D4DT02458C","","","0.71075","MoKα","","0.0802","0.0439","","","0.091","0.1003","","","","","","0.735","","","","has coordinates,has disorder","295954","2024-11-15","23:45:50",""
"7717508","6.975","0.003","7.306","0.003","14.302","0.006","95.261","0.003","97.928","0.006","115.739","0.007","640.8","0.5","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H6 B Br2 F N2 O2 -","- C12 H6 B Br2 F N2 O2 -","- C24 H12 B2 Br4 F2 N4 O4 -","2","1","","Nakamura, Masashi; Gon, Masayuki; Tanaka, Kazuo","Contribution of Radiative Rate Constants to Crystallization-Induced Emission Enhancement in Boron-Fused Azobenzene Complexes","Dalton Transactions","2024","","","","","10.1039/D4DT02458C","","","0.71075","MoKα","","0.0517","0.0334","","","0.0623","0.0669","","","","","","0.978","","","","has coordinates,has disorder","295954","2024-11-15","23:45:50",""
"7717509","7.084","0.004","7.205","0.005","13.827","0.007","96.26","0.03","97.76","0.05","116.43","0.02","614.7","0.7","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H6 B Cl2 F N2 O2 -","- C12 H6 B Cl2 F N2 O2 -","- C24 H12 B2 Cl4 F2 N4 O4 -","2","1","","Nakamura, Masashi; Gon, Masayuki; Tanaka, Kazuo","Contribution of Radiative Rate Constants to Crystallization-Induced Emission Enhancement in Boron-Fused Azobenzene Complexes","Dalton Transactions","2024","","","","","10.1039/D4DT02458C","","","0.71075","MoKα","","0.0965","0.0544","","","0.098","0.1132","","","","","","0.981","","","","has coordinates,has disorder","295954","2024-11-15","23:45:51",""
"7717510","20.5437","0.0004","10.4027","0.0004","30.6083","0.0009","90","","106.71","0.003","90","","6265.1","0.3","293","2","293","2","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C48 H52 B F4 N4 O8 Rh -","- C48 H52 B F4 N4 O8 Rh -","- C192 H208 B4 F16 N16 O32 Rh4 -","4","1","","Bakija, Marija; Opačak, Saša; Peric, Berislav; Chakrabortty, Soumyadeep; Dell'Acqua, Andrea; Barath, Eszter; de Vries, Johannes G.; Tin, Sergey; Kirin, Srećko I.","Supramolecular bidentate rhodium(I) or iridium(I) phosphine and oxazoline amino acid bioconjugates as selective catalysts for enantioselective reactions","Dalton Transactions","2024","","","","","10.1039/D4DT02519A","","","1.54184","CuKα","","0.0379","0.0346","","","0.0979","0.101","","","","","","1.108","","","","has coordinates","295955","2024-11-15","23:46:12",""
"7717511","11.4069","0.0002","11.1844","0.0002","27.0255","0.0006","90","","91.711","0.0017","90","","3446.36","0.12","293","2","293","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C60 H86 N20 Ni3 O8 -","- C60 H86 N20 Ni3 O8 -","- C120 H172 N40 Ni6 O16 -","2","0.5","","Si, Si; Song, Wenxun; Chen, Jie; Zhang, Weimin; Ji, Wenhua; Nam, Wonwoo; Wang, Bin","Neutral nickel complexes with tetradentate N-heterocyclic carbene amidate ligands for electrocatalytic hydrogen evolution","Dalton Transactions","2024","","","","","10.1039/D4DT02746A","","x-ray","0.71073","MoKα","","0.0303","0.026","","","0.0622","0.0649","","","","","","1.062","","","","has coordinates","295956","2024-11-15","23:46:39",""
"7717512","15.0789","0.0004","10.4388","0.0003","17.925","0.0005","90","","99.317","0.003","90","","2784.27","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Cl2 N8 Ni O4 -","- C24 H30 Cl2 N8 Ni O4 -","- C96 H120 Cl8 N32 Ni4 O16 -","4","1","","Si, Si; Song, Wenxun; Chen, Jie; Zhang, Weimin; Ji, Wenhua; Nam, Wonwoo; Wang, Bin","Neutral nickel complexes with tetradentate N-heterocyclic carbene amidate ligands for electrocatalytic hydrogen evolution","Dalton Transactions","2024","","","","","10.1039/D4DT02746A","","x-ray","0.71073","MoKα","","0.0583","0.038","","","0.0844","0.0939","","","","","","1.033","","","","has coordinates","295956","2024-11-15","23:46:40",""
"7717513","10.8555","0.0004","20.056","0.0008","10.9976","0.0004","90","","117.798","0.001","90","","2118.06","0.14","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N10 O6 S4 -","- C12 H16 N10 O6 S4 -","- C48 H64 N40 O24 S16 -","4","1","","Kumar, Parasar; Ghule, Vikas; Dharavath, Srinivas","Advancing Energetic Chemistry: First Synthesis of Sulfur-Based C-C Bonded Thiadiazole-Pyrazine Compounds with Nitrimino Moiety","Dalton Transactions","2024","","","","","10.1039/D4DT02919D","","","0.71073","MoKα","","0.0449","0.0355","","","0.0799","0.0848","","","","","","1.053","","","","has coordinates","295957","2024-11-15","23:46:55",""
"7717514","17.6693","0.0002","18.7992","0.0002","27.1249","0.0003","90","","92.079","0.001","90","","9004.11","0.17","250","0.1","250","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H78 Ag2 N22 O24 Pt4 -","- C84 H78 Ag2 N22 O24 Pt4 -","- C336 H312 Ag8 N88 O96 Pt16 -","4","1","","Li, Jing; Xu, Bao-Sen; Yi, Shao-Zhe; Zhang, Xing-Long; Zhao, Le-Le; Meng, Yu; Wang, Wen-Jin; Li, Bao-Ning","Visualizing supramolecular assembly behavior, stimulus response, and solid state emission of higher-order Pt<sup>2+</sup> aggregates.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02771j","","x-ray","1.54184","CuKα","","0.1144","0.1012","","","0.314","0.3422","","","","","","1.435","","","","has coordinates","295958","2024-11-15","23:47:19",""
"7717515","16.1259","0.0004","6.8629","0.0002","16.8334","0.0004","90","","90.667","0.002","90","","1862.83","0.08","240","0.1","240","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C19 H17 Cl3 N2 Pt -","- C19 H17 Cl3 N2 Pt -","- C76 H68 Cl12 N8 Pt4 -","4","1","","Li, Jing; Xu, Bao-Sen; Yi, Shao-Zhe; Zhang, Xing-Long; Zhao, Le-Le; Meng, Yu; Wang, Wen-Jin; Li, Bao-Ning","Visualizing supramolecular assembly behavior, stimulus response, and solid state emission of higher-order Pt<sup>2+</sup> aggregates.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02771j","","x-ray","1.54184","CuKα","","0.058","0.0553","","","0.1563","0.1607","","","","","","1.053","","","","has coordinates,has disorder","295958","2024-11-15","23:47:20",""
"7717516","6.2672","0.0005","7.9274","0.0006","12.4219","0.0009","82.624","0.006","78.692","0.006","76.836","0.006","587","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H9 Cl2 N3 O S -","- C9 H9 Cl2 N3 O S -","- C18 H18 Cl4 N6 O2 S2 -","2","1","","AVCU ALTIPARMAK, Elif; ÖZEN EROĞLU, Güneş; Özdemir, Namık; Erdem Kuruca, Serap; Bal-Demirci, Tulay","Synthesis, Cytotoxicities, Structural Properties and Comparison of Dihalogenosubstituted-thiosemicarbazone ligands and Mixed-Ligand Ni(II) Complexes","Dalton Transactions","2024","","","","","10.1039/D4DT02774D","","","0.71073","MoKα","","0.0599","0.0514","","","0.1499","0.1566","","","","","","1.067","","","","has coordinates","295987","2024-11-18","23:51:37",""
"7717517","12.3415","0.0008","10.19","0.0006","15.4159","0.0011","90","","110.924","0.005","90","","1810.9","0.2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 Cl2 N4 Ni O3 S -","- C13 H18 Cl2 N4 Ni O3 S -","- C52 H72 Cl8 N16 Ni4 O12 S4 -","4","1","","AVCU ALTIPARMAK, Elif; ÖZEN EROĞLU, Güneş; Özdemir, Namık; Erdem Kuruca, Serap; Bal-Demirci, Tulay","Synthesis, Cytotoxicities, Structural Properties and Comparison of Dihalogenosubstituted-thiosemicarbazone ligands and Mixed-Ligand Ni(II) Complexes","Dalton Transactions","2024","","","","","10.1039/D4DT02774D","","","0.71073","MoKα","","0.1032","0.0509","","","0.0867","0.1002","","","","","","0.944","","","","has coordinates","295987","2024-11-18","23:51:37",""
"7717518","12.69","0.0008","10.2688","0.0005","15.4499","0.0012","90","","111.571","0.005","90","","1872.3","0.2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 Br2 N4 Ni O3 S -","- C13 H18 Br2 N4 Ni O3 S -","- C52 H72 Br8 N16 Ni4 O12 S4 -","4","1","","AVCU ALTIPARMAK, Elif; ÖZEN EROĞLU, Güneş; Özdemir, Namık; Erdem Kuruca, Serap; Bal-Demirci, Tulay","Synthesis, Cytotoxicities, Structural Properties and Comparison of Dihalogenosubstituted-thiosemicarbazone ligands and Mixed-Ligand Ni(II) Complexes","Dalton Transactions","2024","","","","","10.1039/D4DT02774D","","","0.71073","MoKα","","0.0825","0.0506","","","0.1057","0.1171","","","","","","1.03","","","","has coordinates","295987","2024-11-18","23:51:38",""
"7717519","8.7263","0.0009","12.4897","0.0012","13.9463","0.0014","98.878","0.001","107.371","0.001","92.195","0.001","1427.5","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H32 Cu N2 P -","- C35 H32 Cu N2 P -","- C70 H64 Cu2 N4 P2 -","2","1","","Kumar, Ashish; Kim, Dooyoung; Nguyen, Giao; Jiang, Chenggang; Chakraborty, Soumi; Teets, Thomas S.","Photophysical properties of three-coordinate heteroleptic Cu(I) β-diketiminate triarylphosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02681k","","","0.71073","MoKα","","0.0329","0.0283","","","0.0723","0.0745","","","","","","1.056","","","","has coordinates","295988","2024-11-18","23:53:24",""
"7717520","16.709","0.004","17.529","0.004","20.332","0.005","90","","90","","90","","5955","2","123.21","","123.21","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H29 Cu F3 N2 P -","- C35 H29 Cu F3 N2 P -","- C280 H232 Cu8 F24 N16 P8 -","8","1","","Kumar, Ashish; Kim, Dooyoung; Nguyen, Giao; Jiang, Chenggang; Chakraborty, Soumi; Teets, Thomas S.","Photophysical properties of three-coordinate heteroleptic Cu(I) β-diketiminate triarylphosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02681k","","","0.71073","MoKα","","0.0402","0.0317","","","0.0801","0.0843","","","","","","1.061","","","","has coordinates","295988","2024-11-18","23:53:25",""
"7717521","8.8151","0.0015","12.675","0.002","14.113","0.002","98.29","0.002","108.137","0.002","92.018","0.002","1477.5","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H26 Cu F6 N2 P -","- C35 H26 Cu F6 N2 P -","- C70 H52 Cu2 F12 N4 P2 -","2","1","","Kumar, Ashish; Kim, Dooyoung; Nguyen, Giao; Jiang, Chenggang; Chakraborty, Soumi; Teets, Thomas S.","Photophysical properties of three-coordinate heteroleptic Cu(I) β-diketiminate triarylphosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02681k","","","0.71073","MoKα","","0.0314","0.0287","","","0.0769","0.0782","","","","","","1.054","","","","has coordinates","295988","2024-11-18","23:53:25",""
"7717522","11.3887","0.0016","26.548","0.004","11.0375","0.0015","90","","100.983","0.002","90","","3276","0.8","123.2","","123.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 Cu N2 O3 P -","- C38 H38 Cu N2 O3 P -","- C152 H152 Cu4 N8 O12 P4 -","4","1","","Kumar, Ashish; Kim, Dooyoung; Nguyen, Giao; Jiang, Chenggang; Chakraborty, Soumi; Teets, Thomas S.","Photophysical properties of three-coordinate heteroleptic Cu(I) β-diketiminate triarylphosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02681k","","","0.71073","MoKα","","0.0306","0.0271","","","0.0694","0.0712","","","","","","1.05","","","","has coordinates","295988","2024-11-18","23:53:25",""
"7717523","10.5139","0.0014","20.262","0.003","16.342","0.002","90","","104.617","0.002","90","","3368.7","0.8","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H40 Cu N2 P -","- C39 H40 Cu N2 P -","- C156 H160 Cu4 N8 P4 -","4","1","","Kumar, Ashish; Kim, Dooyoung; Nguyen, Giao; Jiang, Chenggang; Chakraborty, Soumi; Teets, Thomas S.","Photophysical properties of three-coordinate heteroleptic Cu(I) β-diketiminate triarylphosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02681k","","","0.71073","MoKα","","0.0472","0.0351","","","0.0855","0.0904","","","","","","1.062","","","","has coordinates","295988","2024-11-18","23:53:26",""
"7717524","11.642","0.002","14.434","0.003","21.728","0.004","90","","90","","90","","3651.2","1.2","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H44 Cu N2 P -","- C35 H44 Cu N2 P -","- C140 H176 Cu4 N8 P4 -","4","1","","Kumar, Ashish; Kim, Dooyoung; Nguyen, Giao; Jiang, Chenggang; Chakraborty, Soumi; Teets, Thomas S.","Photophysical properties of three-coordinate heteroleptic Cu(I) β-diketiminate triarylphosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02681k","","","0.71073","MoKα","","0.0231","0.0214","","","0.0504","0.0509","","","","","","1.019","","","","has coordinates","295988","2024-11-18","23:53:26",""
"7717525","9.7777","0.0016","42.541","0.007","10.8917","0.0018","90","","113.821","0.002","90","","4144.5","1.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H51 Cu N2 O3.5 P -","- C44 H51 Cu N2 O3.5 P -","- C176 H204 Cu4 N8 O14 P4 -","4","1","","Kumar, Ashish; Kim, Dooyoung; Nguyen, Giao; Jiang, Chenggang; Chakraborty, Soumi; Teets, Thomas S.","Photophysical properties of three-coordinate heteroleptic Cu(I) β-diketiminate triarylphosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02681k","","","0.71073","MoKα","","0.1363","0.1147","","","0.2528","0.2611","","","","","","1.251","","","","has coordinates,has disorder","295988","2024-11-18","23:53:26",""
"7717526","23.339","0.003","15.8665","0.0019","24.171","0.003","90","","111.832","0.002","90","","8308.8","1.8","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H56 Cu N2 P -","- C47 H56 Cu N2 P -","- C376 H448 Cu8 N16 P8 -","8","2","","Kumar, Ashish; Kim, Dooyoung; Nguyen, Giao; Jiang, Chenggang; Chakraborty, Soumi; Teets, Thomas S.","Photophysical properties of three-coordinate heteroleptic Cu(I) β-diketiminate triarylphosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02681k","","","0.71073","MoKα","","0.0637","0.0385","","","0.0882","0.099","","","","","","1.028","","","","has coordinates","295988","2024-11-18","23:53:26",""
"7717527","11.644","0.005","13.759","0.005","16.739","0.006","104.706","0.005","90.348","0.005","101.897","0.005","2533.3","1.7","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H68 Cu N2 O3 P -","- C53 H68 Cu N2 O3 P -","- C106 H136 Cu2 N4 O6 P2 -","2","1","","Kumar, Ashish; Kim, Dooyoung; Nguyen, Giao; Jiang, Chenggang; Chakraborty, Soumi; Teets, Thomas S.","Photophysical properties of three-coordinate heteroleptic Cu(I) β-diketiminate triarylphosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02681k","","","0.71073","MoKα","","0.0644","0.0488","","","0.1356","0.1483","","","","","","1.051","","","","has coordinates,has disorder","295988","2024-11-18","23:53:26",""
"7717528","36.13","0.008","36.13","0.008","36.13","0.008","90","","90","","90","","47163","18","273","2","273","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C35 H22 Cu2 N4 O11 -","- C35 H22 Cu2 N4 O11 -","- C840 H528 Cu48 N96 O264 -","24","0.25","","Dong, Wenyu; Wang, Zhaoxu; Zuxian, Cai; Yiqiang, Deng; Wang, Guanyu; Zheng, Baishu","Highly efficient CO2 capture and chemical fixation of a microporous (3, 36)-connected txt-type Cu(II)-MOF with multifunctional sites","Dalton Transactions","2024","","","","","10.1039/D4DT01531B","","","0.71073","MoKα","","0.1102","0.0904","","","0.2374","0.2601","","","","","","1.263","","","","has coordinates,has disorder","295989","2024-11-18","23:54:52",""
"7717529","15.6459","0.0012","18.9911","0.0014","24.709","0.0019","90","","107.086","0.003","90","","7017.8","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C122 H106 Cu8 N14 O24 Si10 -","- C122 H106 Cu8 N14 O24 Si10 -","- C244 H212 Cu16 N28 O48 Si20 -","2","0.5","","Bilyachenko, Alexey N.; Khrustalev, Victor N.; Huang, Zhibin; Shul'pina, Lidia S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ikonnikov, Nikolay S.; Lobanov, Nikolai N.; Ragimov, Karim; Sun, Di","An octanuclear 3-phenyl-5-(2-pyridyl)pyrazolate/phenylsilsesquioxane complex: synthesis, unique structure, and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02690j","","","0.7527","synchrotron","","0.1537","0.137","","","0.2895","0.2984","","","","","","1.032","","","","has coordinates,has disorder","296030","2024-11-20","23:58:45",""
"7717530","17.8329","0.0016","16.528","0.0015","20.4641","0.0019","90","","106.432","0.011","90","","5785.3","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96 H76 Cu8 N4 O26 Si10 -","- C96 H76 Cu8 N4 O26 Si10 -","- C192 H152 Cu16 N8 O52 Si20 -","2","0.5","","Bilyachenko, Alexey N.; Khrustalev, Victor N.; Huang, Zhibin; Shul'pina, Lidia S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ikonnikov, Nikolay S.; Lobanov, Nikolai N.; Ragimov, Karim; Sun, Di","An octanuclear 3-phenyl-5-(2-pyridyl)pyrazolate/phenylsilsesquioxane complex: synthesis, unique structure, and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02690j","","","0.745","synchrotron","","0.132","0.0761","","","0.1819","0.2159","","","","","","1.072","","","","has coordinates,has disorder","296030","2024-11-20","23:58:46",""
"7717531","12.3924","0.0002","17.273","0.0003","17.8005","0.0003","64.6067","0.0017","89.6243","0.0014","79.3532","0.0014","3371.53","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H100 Cu8 N12 O22 Si10 -","- C120 H100 Cu8 N12 O22 Si10 -","- C120 H100 Cu8 N12 O22 Si10 -","1","0.5","","Bilyachenko, Alexey N.; Khrustalev, Victor N.; Huang, Zhibin; Shul'pina, Lidia S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ikonnikov, Nikolay S.; Lobanov, Nikolai N.; Ragimov, Karim; Sun, Di","An octanuclear 3-phenyl-5-(2-pyridyl)pyrazolate/phenylsilsesquioxane complex: synthesis, unique structure, and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02690j","","","1.54184","CuKα","","0.1233","0.1178","","","0.2716","0.2738","","","","","","1.025","","","","has coordinates","296030","2024-11-20","23:58:51",""
"7717532","19.0322","0.0003","19.1168","0.0003","19.778","0.0002","89.5344","0.001","87.6687","0.001","71.8144","0.0012","6830.75","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C128 H120 Cu8 N16 O26 Si10 -","- C128 H120 Cu8 N16 O26 Si10 -","- C256 H240 Cu16 N32 O52 Si20 -","2","1","","Bilyachenko, Alexey N.; Khrustalev, Victor N.; Huang, Zhibin; Shul'pina, Lidia S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ikonnikov, Nikolay S.; Lobanov, Nikolai N.; Ragimov, Karim; Sun, Di","An octanuclear 3-phenyl-5-(2-pyridyl)pyrazolate/phenylsilsesquioxane complex: synthesis, unique structure, and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02690j","","","1.54184","CuKα","","0.0697","0.0593","","","0.1554","0.1633","","","","","","1.023","","","","has coordinates,has disorder","296030","2024-11-20","23:58:51",""
"7717533","24.929","0.004","4.2898","0.001","22.535","0.004","90","","116.829","0.009","90","","2150.5","0.7","153","","153","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H8 Cu F12 N4 -","- C24 H8 Cu F12 N4 -","- C96 H32 Cu4 F48 N16 -","4","0.5","","Li, Wenzi; Peng, Xinyang; Qin, Haonan; Xu, Yuhan; Han, Jinxiu; Lei, Haitao; Cao, Rui","Electrocatalytic hydrogen evolution reaction with a Cu porphyrin bearing meso-CF3 substituents","Dalton Transactions","2024","","","","","10.1039/D4DT03098B","","","0.71073","MoKα","","0.0483","0.047","","","0.1245","0.1257","","","","","","1.136","","","","has coordinates","296031","2024-11-20","23:59:19",""
"7717534","9.0563","0.0016","41.16","0.007","12.51","0.002","90","","106.559","0.002","90","","4469.8","1.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H72 Ge2 N4 S2 Si8 -","- C24 H72 Ge2 N4 S2 Si8 -","- C96 H288 Ge8 N16 S8 Si32 -","4","1","","Stacil, Thad; Fortney, Vanessa; Murphy, Julia; Gembicky, Milan; Rheingold, Arnold; Weinert, Charles","Desulfurization of Isothiocyanates by a Divalent Germanium Amide","Dalton Transactions","2024","","","","","10.1039/D4DT02882A","","x-ray","0.71073","MoKα","","0.0321","0.0257","","","0.0622","0.065","","","","","","1.021","","","","has coordinates","296032","2024-11-20","23:59:35",""
"7717535","9.7076","0.0014","11.1525","0.0016","8.4121","0.0014","90","","94.131","0.013","90","","908.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N6 S2 -","- C16 H22 N6 S2 -","- C32 H44 N12 S4 -","2","0.5","","Pandey, Shivendra Kumar; Kumar, Sandeep; Singh, Swati; Patel, Anand Kumar; Gond, M. K.; Acharya, Arbind; Bharty, Manoj Kumar","Synthesis, structural characterisation, and anticancer potential of mono and dinuclear Pd(II) complexes of N-(2-pyridyl)thiourea","Dalton Transactions","2024","","","","","10.1039/D4DT02614D","","","1.54178","CuKα","","0.1122","0.0957","","","0.2564","0.302","","","","","","1.1","","","","has coordinates","296033","2024-11-21","00:00:00",""
"7717536","10.304","0.0002","11.1576","0.0002","19.3304","0.0004","90","","101.071","0.002","90","","2181.02","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Cl2 N6 Pd2 S2 -","- C16 H20 Cl2 N6 Pd2 S2 -","- C64 H80 Cl8 N24 Pd8 S8 -","4","1","","Pandey, Shivendra Kumar; Kumar, Sandeep; Singh, Swati; Patel, Anand Kumar; Gond, M. K.; Acharya, Arbind; Bharty, Manoj Kumar","Synthesis, structural characterisation, and anticancer potential of mono and dinuclear Pd(II) complexes of N-(2-pyridyl)thiourea","Dalton Transactions","2024","","","","","10.1039/D4DT02614D","","","1.54184","CuKα","","0.0325","0.0271","","","0.0675","0.0701","","","","","","1.048","","","","has coordinates","296033","2024-11-21","00:00:00",""
"7717537","8.8167","0.0001","7.8205","0.0001","13.4444","0.0001","90","","96.092","0.001","90","","921.77","0.017","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H20 N6 Pd S2 -","- C16 H20 N6 Pd S2 -","- C32 H40 N12 Pd2 S4 -","2","1","","Pandey, Shivendra Kumar; Kumar, Sandeep; Singh, Swati; Patel, Anand Kumar; Gond, M. K.; Acharya, Arbind; Bharty, Manoj Kumar","Synthesis, structural characterisation, and anticancer potential of mono and dinuclear Pd(II) complexes of N-(2-pyridyl)thiourea","Dalton Transactions","2024","","","","","10.1039/D4DT02614D","","","0.71073","MoKα","","0.0417","0.0417","","","0.1061","0.1061","","","","","","1.063","","","","has coordinates","296033","2024-11-21","00:00:00",""
"7717538","9.557","0.0006","10.0876","0.0007","10.484","0.0007","112.632","0.007","96.062","0.006","98.241","0.006","908.86","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 Co N2 O7 -","- C19 H20 Co N2 O7 -","- C38 H40 Co2 N4 O14 -","2","1","","Zhang, Yi-Ru; Liang, Yan-Bing; Jian, Dan; Wu, Jian-Zhong; Ou, Yong-Cong","New cobalt-based metal-organic frameworks for catalysing sulfite in degradation of reactive brilliant red","Dalton Transactions","2024","","","","","10.1039/D4DT03000A","","","1.54178","CuKα","","0.0498","0.0414","","","0.0979","0.1002","","","","","","0.938","","","","has coordinates","296052","2024-11-21","23:49:19",""
"7717539","9.199","0.0008","9.6032","0.001","10.9409","0.001","91.168","0.002","94.456","0.002","104.944","0.002","930.19","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 Co N2 O6 -","- C21 H20 Co N2 O6 -","- C42 H40 Co2 N4 O12 -","2","1","","Zhang, Yi-Ru; Liang, Yan-Bing; Jian, Dan; Wu, Jian-Zhong; Ou, Yong-Cong","New cobalt-based metal-organic frameworks for catalysing sulfite in degradation of reactive brilliant red","Dalton Transactions","2024","","","","","10.1039/D4DT03000A","","","0.71073","MoKα","","0.1296","0.0695","","","0.1776","0.2292","","","","","","1.04","","","","has coordinates","296052","2024-11-21","23:49:20",""
"7717540","7.2508","0.0006","10.4687","0.0011","12.7942","0.001","72.323","0.004","89.396","0.003","75.982","0.003","895.66","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Co1.5 N O12 -","- C14 H19 Co1.5 N O12 -","- C28 H38 Co3 N2 O24 -","2","1","","Zhang, Yi-Ru; Liang, Yan-Bing; Jian, Dan; Wu, Jian-Zhong; Ou, Yong-Cong","New cobalt-based metal-organic frameworks for catalysing sulfite in degradation of reactive brilliant red","Dalton Transactions","2024","","","","","10.1039/D4DT03000A","","","0.71073","MoKα","","0.1093","0.0747","","","0.2038","0.2527","","","","","","1.078","","","","has coordinates,has disorder","296052","2024-11-21","23:49:20",""
"7717541","27.8698","0.0009","9.5761","0.0003","13.6522","0.0004","90","","90","","90","","3643.6","0.2","150","2","150","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C33 H28 Co2 N4 O9 -","- C33 H28 Co2 N4 O9 -","- C132 H112 Co8 N16 O36 -","4","0.5","","Zhang, Yi-Ru; Liang, Yan-Bing; Jian, Dan; Wu, Jian-Zhong; Ou, Yong-Cong","New cobalt-based metal-organic frameworks for catalysing sulfite in degradation of reactive brilliant red","Dalton Transactions","2024","","","","","10.1039/D4DT03000A","","","1.54178","CuKα","","0.1019","0.0769","","","0.1953","0.2164","","","","","","1.047","","","","has coordinates,has disorder","296052","2024-11-21","23:49:21",""
"7717542","9.6373","0.0012","12.2542","0.0018","12.3359","0.0019","105.823","0.013","104.809","0.012","102.75","0.011","1287.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- H O13 P3 Rb3 V2 -","- O13 P3 Rb3 V2 -","- O52 P12 Rb12 V8 -","4","2","","Yakubovich, Olga Vsevolodovna; Kiriukhina, Galina; Volkov, Anatoly; Dimitrova, Olga; Chumakov, Ratibor; Shvanskaya, Larisa Victorovna; Vasiliev, Alexander","Rubidium vanadium(III) vanadyl(IV) phosphate, Rb3V3+(V4+O)(PO4)(H0.5PO4)2: crystal chemistry and low-dimensional magnetism","Dalton Transactions","2024","","","","","10.1039/D4DT02719A","","","0.71073","MoKα","","0.171","0.0766","","","0.1376","0.1568","","","","","","0.946","","","","has coordinates","296053","2024-11-21","23:49:44",""
"7717543","11.77638","0.0001","18.18345","0.00016","11.4887","0.00011","90","","100.858","0.0009","90","","2416.09","0.04","120","0.4","120","0.4","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 Cl N2 O2 Ru S2 -","- C24 H27 Cl N2 O2 Ru S2 -","- C96 H108 Cl4 N8 O8 Ru4 S8 -","4","1","","Risi, Matthew C.; Stjärnhage, Julia; Henderson, William; Lane, Joseph R.; Hartinger, Christian G.; Saunders, Graham C.","The coordination chemistry and anticancer activity of organo-ruthenium(II), -iridium(III) and -rhodium(III) complexes with sulfonyl-substituted thiourea ligands.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02733g","","x-ray","1.54184","CuKα","","0.0258","0.0246","","","0.0662","0.0669","","","","","","1.0352","","","","has coordinates","296055","2024-11-21","23:54:04",""
"7717544","23.1894","0.0006","9.2198","0.0002","23.8717","0.0005","90","","112.177","0.003","90","","4726.2","0.2","120","0.4","120","0.4","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H52 N4 O4 Ru2 S4 -","- C48 H52 N4 O4 Ru2 S4 -","- C192 H208 N16 O16 Ru8 S16 -","4","0.5","","Risi, Matthew C.; Stjärnhage, Julia; Henderson, William; Lane, Joseph R.; Hartinger, Christian G.; Saunders, Graham C.","The coordination chemistry and anticancer activity of organo-ruthenium(II), -iridium(III) and -rhodium(III) complexes with sulfonyl-substituted thiourea ligands.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02733g","","x-ray","1.54184","CuKα","","0.055","0.0493","","","0.1289","0.1338","","","","","","1.063","","","","has coordinates","296055","2024-11-21","23:54:05",""
"7717545","8.34223","0.00008","20.4172","0.0003","18.7826","0.0002","90","","98.1698","0.0011","90","","3166.68","0.07","99.9","0.5","99.9","0.5","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 Cl2 N2 O2 P Ru S2 -","- C33 H31 Cl2 N2 O2 P Ru S2 -","- C132 H124 Cl8 N8 O8 P4 Ru4 S8 -","4","1","","Risi, Matthew C.; Stjärnhage, Julia; Henderson, William; Lane, Joseph R.; Hartinger, Christian G.; Saunders, Graham C.","The coordination chemistry and anticancer activity of organo-ruthenium(II), -iridium(III) and -rhodium(III) complexes with sulfonyl-substituted thiourea ligands.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02733g","","x-ray","1.54184","CuKα","","0.0449","0.0365","","","0.0858","0.0905","","","","","","1.054","","","","has coordinates,has disorder","296055","2024-11-21","23:54:05",""
"7717546","7.1095","0.0001","10.2048","0.0002","14.9475","0.0003","103.603","0.002","92.669","0.002","100.473","0.002","1031.94","0.03","99.9","0.6","99.9","0.6","","","","","","","","7","P -1","-P 1","2","","","","- C19 H25 Cl N2 O2 Ru S2 -","- C19 H25 Cl N2 O2 Ru S2 -","- C38 H50 Cl2 N4 O4 Ru2 S4 -","2","1","","Risi, Matthew C.; Stjärnhage, Julia; Henderson, William; Lane, Joseph R.; Hartinger, Christian G.; Saunders, Graham C.","The coordination chemistry and anticancer activity of organo-ruthenium(II), -iridium(III) and -rhodium(III) complexes with sulfonyl-substituted thiourea ligands.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02733g","","x-ray","1.54184","CuKα","","0.0248","0.0226","","","0.0521","0.0531","","","","","","1.0267","","","","has coordinates","296055","2024-11-21","23:54:05",""
"7717547","9.2306","0.0001","9.8609","0.0001","23.0693","0.0002","78.126","0.001","89.588","0.001","64.356","0.001","1844.49","0.04","100.1","0.6","100.1","0.6","","","","","","","","7","P -1","-P 1","2","","","","- C42 H41 N2 O2 P Ru S2 -","- C42 H41 N2 O2 P Ru S2 -","- C84 H82 N4 O4 P2 Ru2 S4 -","2","1","","Risi, Matthew C.; Stjärnhage, Julia; Henderson, William; Lane, Joseph R.; Hartinger, Christian G.; Saunders, Graham C.","The coordination chemistry and anticancer activity of organo-ruthenium(II), -iridium(III) and -rhodium(III) complexes with sulfonyl-substituted thiourea ligands.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02733g","","x-ray","1.54184","CuKα","","0.0324","0.0315","","","0.0811","0.0817","","","","","","1.0377","","","","has coordinates","296055","2024-11-21","23:54:06",""
"7717548","11.9061","0.0002","16.404","0.0002","26.5797","0.0003","90","","91.392","0.001","90","","5189.69","0.12","99.9","0.5","99.9","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H67 Ir N7 O9 P S4 -","- C44 H53 Ir N7 O4 P S4 -","- C176 H212 Ir4 N28 O16 P4 S16 -","4","1","","Risi, Matthew C.; Stjärnhage, Julia; Henderson, William; Lane, Joseph R.; Hartinger, Christian G.; Saunders, Graham C.","The coordination chemistry and anticancer activity of organo-ruthenium(II), -iridium(III) and -rhodium(III) complexes with sulfonyl-substituted thiourea ligands.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02733g","","x-ray","1.54184","CuKα","","0.0476","0.0437","","","0.1209","0.1249","","","","","","0.7073","","","","has coordinates","296055","2024-11-21","23:54:06",""
"7717549","23.0707","0.0003","8.983","0.0001","33.0254","0.0003","90","","108.467","0.001","90","","6491.88","0.13","99.9","0.5","99.9","0.5","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H41 Cl N5 O2.5 P Rh S2 -","- C30 H41 Cl N5 O2.5 P Rh S2 -","- C240 H328 Cl8 N40 O20 P8 Rh8 S16 -","8","2","","Risi, Matthew C.; Stjärnhage, Julia; Henderson, William; Lane, Joseph R.; Hartinger, Christian G.; Saunders, Graham C.","The coordination chemistry and anticancer activity of organo-ruthenium(II), -iridium(III) and -rhodium(III) complexes with sulfonyl-substituted thiourea ligands.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02733g","","x-ray","1.54184","CuKα","","0.0375","0.0295","","","0.0641","0.0674","","","","","","1.0148","","","","has coordinates","296055","2024-11-21","23:54:06",""
"7717550","38.4923","0.0002","9.4893","0.00005","18.13669","0.0001","90","","97.5287","0.0005","90","","6567.59","0.06","120","0.1","120","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H44 N5 O4 P Ru S2 -","- C30 H40 N5 O3 P Ru S2 -","- C240 H320 N40 O24 P8 Ru8 S16 -","8","1","","Risi, Matthew C.; Stjärnhage, Julia; Henderson, William; Lane, Joseph R.; Hartinger, Christian G.; Saunders, Graham C.","The coordination chemistry and anticancer activity of organo-ruthenium(II), -iridium(III) and -rhodium(III) complexes with sulfonyl-substituted thiourea ligands.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02733g","","x-ray","1.54184","CuKα","","0.0244","0.0234","","","0.0627","0.0631","","","","","","1.0653","","","","has coordinates,has disorder","296055","2024-11-21","23:54:07",""
"7717551","11.17593","0.00008","19.26021","0.00016","20.25129","0.00016","90","","99.7002","0.0007","90","","4296.78","0.06","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H63 Mo3 O S4 U -","- C41 H63 Mo3 O S4 U -","- C164 H252 Mo12 O4 S16 U4 -","4","1","","Patra, Kamaless; Brennessel, William W.; Matson, Ellen","pKa of Alcohols Dictate their Reactivity with Reduced Uranium-substituted Thiomolybdate Clusters","Dalton Transactions","2024","","","","","10.1039/D4DT02803A","","x-ray","1.54184","CuKα","","0.051","0.0457","","","0.111","0.1137","","","","","","1.042","","","","has coordinates","296056","2024-11-21","23:55:15",""
"7717552","10.99181","0.00006","20.28569","0.00011","24.7317","0.00015","90","","90","","90","","5514.59","0.05","100.01","0.1","100.01","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C58 H70 D6 Mo3 O2 S4 U -","- C58 H70 D6 Mo3 O2 S4 U -","- C232 H280 D24 Mo12 O8 S16 U4 -","4","1","","Patra, Kamaless; Brennessel, William W.; Matson, Ellen","pKa of Alcohols Dictate their Reactivity with Reduced Uranium-substituted Thiomolybdate Clusters","Dalton Transactions","2024","","","","","10.1039/D4DT02803A","","x-ray","1.54184","CuKα","","0.0264","0.0249","","","0.0541","0.0547","","","","","","1.057","","","","has coordinates,has disorder","296056","2024-11-21","23:55:17",""
"7717553","10.97728","0.00007","17.85746","0.00011","24.61165","0.00016","90","","96.2794","0.0006","90","","4795.59","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H72 Mo3 O3 S4 U -","- C42 H72 Mo3 O3 S4 U -","- C168 H288 Mo12 O12 S16 U4 -","4","1","","Patra, Kamaless; Brennessel, William W.; Matson, Ellen","pKa of Alcohols Dictate their Reactivity with Reduced Uranium-substituted Thiomolybdate Clusters","Dalton Transactions","2024","","","","","10.1039/D4DT02803A","","x-ray","1.54184","CuKα","","0.0297","0.0249","","","0.0581","0.0599","","","","","","1.025","","","","has coordinates,has disorder","296056","2024-11-21","23:55:18",""
"7717554","11.11244","0.00009","20.41551","0.00016","24.6678","0.0002","90","","97.3244","0.0008","90","","5550.62","0.08","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56.5 H75 Cl2 Mo3 O S4 U -","- C56.5 H75 Cl2 Mo3 O S4 U -","- C226 H300 Cl8 Mo12 O4 S16 U4 -","4","1","","Patra, Kamaless; Brennessel, William W.; Matson, Ellen","pKa of Alcohols Dictate their Reactivity with Reduced Uranium-substituted Thiomolybdate Clusters","Dalton Transactions","2024","","","","","10.1039/D4DT02803A","","x-ray","1.54184","CuKα","","0.0307","0.0286","","","0.0704","0.0713","","","","","","1.052","","","","has coordinates,has disorder","296056","2024-11-21","23:55:19",""
"7717555","9.761","0.002","11.913","0.003","15.666","0.004","109.64","0.006","105.304","0.006","92.463","0.006","1637.4","0.7","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H28 B F4 Fe N6 O4 -","- C36 H28 B F4 Fe N6 O4 -","- C72 H56 B2 F8 Fe2 N12 O8 -","2","1","","Wu, Jianfeng; Li, Mengtao; Yang, Qianqian; Zhang, Baoliang; Tang, Jinkui","Two-step Spin Transition around Room Temperature in a FeIII Complex","Dalton Transactions","2024","","","","","10.1039/D4DT02736A","","","0.71073","MoKα","","0.1048","0.0727","","","0.1772","0.1987","","","","","","1.061","","","","has coordinates,has disorder","296075","2024-11-22","23:50:44",""
"7717556","9.759","0.003","11.931","0.004","15.722","0.005","109.164","0.008","104.656","0.007","92.625","0.009","1656.2","0.9","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Cl Fe N6 O8 -","- C36 H28 Cl Fe N6 O8 -","- C72 H56 Cl2 Fe2 N12 O16 -","2","1","","Wu, Jianfeng; Li, Mengtao; Yang, Qianqian; Zhang, Baoliang; Tang, Jinkui","Two-step Spin Transition around Room Temperature in a FeIII Complex","Dalton Transactions","2024","","","","","10.1039/D4DT02736A","","","0.71073","MoKα","","0.1277","0.073","","","0.1734","0.2054","","","","","","1.047","","","","has coordinates","296075","2024-11-22","23:50:45",""
"7717557","9.8367","0.0015","12.3022","0.0018","15.802","0.002","110.103","0.004","106.164","0.004","90.677","0.004","1712.5","0.4","220","","220","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H28 B F4 Fe N6 O4 -","- C36 H28 B F4 Fe N6 O4 -","- C72 H56 B2 F8 Fe2 N12 O8 -","2","1","","Wu, Jianfeng; Li, Mengtao; Yang, Qianqian; Zhang, Baoliang; Tang, Jinkui","Two-step Spin Transition around Room Temperature in a FeIII Complex","Dalton Transactions","2024","","","","","10.1039/D4DT02736A","","","0.71073","MoKα","","0.3388","0.2749","","","0.521","0.5648","","","","","","1.767","","","","has coordinates,has disorder","296075","2024-11-22","23:50:46",""
"7717558","9.7833","0.0015","11.9474","0.0018","15.724","0.002","109.494","0.004","105.229","0.004","92.47","0.004","1654.3","0.4","190","","190","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H28 B F4 Fe N6 O4 -","- C36 H28 B F4 Fe N6 O4 -","- C72 H56 B2 F8 Fe2 N12 O8 -","2","1","","Wu, Jianfeng; Li, Mengtao; Yang, Qianqian; Zhang, Baoliang; Tang, Jinkui","Two-step Spin Transition around Room Temperature in a FeIII Complex","Dalton Transactions","2024","","","","","10.1039/D4DT02736A","","","0.71073","MoKα","","0.0838","0.0599","","","0.1443","0.1577","","","","","","1.066","","","","has coordinates,has disorder","296075","2024-11-22","23:50:46",""
"7717559","9.7125","0.0017","12.608","0.002","15.64","0.002","71.472","0.004","73.006","0.004","89.279","0.004","1729.8","0.5","300","","300","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Cl Fe N6 O8 -","- C36 H28 Cl Fe N6 O8 -","- C72 H56 Cl2 Fe2 N12 O16 -","2","1","","Wu, Jianfeng; Li, Mengtao; Yang, Qianqian; Zhang, Baoliang; Tang, Jinkui","Two-step Spin Transition around Room Temperature in a FeIII Complex","Dalton Transactions","2024","","","","","10.1039/D4DT02736A","","","0.71073","MoKα","","0.0846","0.0645","","","0.1707","0.1882","","","","","","1.036","","","","has coordinates,has disorder","296075","2024-11-22","23:50:46",""
"7717560","9.786","0.006","12.619","0.007","15.625","0.011","71.31","0.02","72.147","0.014","88.655","0.014","1733.8","1.9","360","","360","","","","","","","","","7","P -1","-P 1","2","","","","- C35.43 H27.15 B F4 Fe N5.71 O4 -","- C35.4322 H27.1483 B F4 Fe N5.7161 O4 -","- C70.8644 H54.2966 B2 F8 Fe2 N11.4322 O8 -","2","1","","Wu, Jianfeng; Li, Mengtao; Yang, Qianqian; Zhang, Baoliang; Tang, Jinkui","Two-step Spin Transition around Room Temperature in a FeIII Complex","Dalton Transactions","2024","","","","","10.1039/D4DT02736A","","","0.71073","MoKα","","0.1264","0.0721","","","0.185","0.2245","","","","","","1.029","","","","has coordinates,has disorder","296075","2024-11-22","23:50:46",""
"7717561","9.715","0.006","12.574","0.007","15.494","0.011","70.82","0.02","71.741","0.014","88.304","0.014","1691.9","1.9","245","","245","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H28 B F4 Fe N6 O4 -","- C36 H28 B F4 Fe N6 O4 -","- C72 H56 B2 F8 Fe2 N12 O8 -","2","1","","Wu, Jianfeng; Li, Mengtao; Yang, Qianqian; Zhang, Baoliang; Tang, Jinkui","Two-step Spin Transition around Room Temperature in a FeIII Complex","Dalton Transactions","2024","","","","","10.1039/D4DT02736A","","","0.71073","MoKα","","0.1252","0.0757","","","0.181","0.2106","","","","","","1.093","","","","has coordinates,has disorder","296075","2024-11-22","23:50:46",""
"7717562","9.731","0.006","12.572","0.007","15.537","0.011","70.83","0.02","71.806","0.014","88.482","0.014","1699.5","1.9","273","","273","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H28 B F4 Fe N6 O4 -","- C36 H28 B F4 Fe N6 O4 -","- C72 H56 B2 F8 Fe2 N12 O8 -","2","1","","Wu, Jianfeng; Li, Mengtao; Yang, Qianqian; Zhang, Baoliang; Tang, Jinkui","Two-step Spin Transition around Room Temperature in a FeIII Complex","Dalton Transactions","2024","","","","","10.1039/D4DT02736A","","","0.71073","MoKα","","0.089","0.0591","","","0.1471","0.1658","","","","","","1.024","","","","has coordinates,has disorder","296075","2024-11-22","23:50:46",""
"7717563","9.7018","0.0005","9.7018","0.0005","13.7933","0.001","90","","90","","90","","1298.29","0.13","200","2","200","2","","","","","","","","3","P 42/n m c :2","-P 4ac 2a","137","","","","- Rh6 Sn18 Yb5 -","- Rh6 Sn18 Yb5 -","- Rh12 Sn36 Yb10 -","2","0.125","","Bolielyi, Oleksandr; Levytskyi, Volodymyr; Wagler, Jörg; Kvashnina, Kristina O.; Kundys, Bohdan; Leithe-Jasper, Andreas; Gumeniuk, Roman","Yb<sub>5</sub>Rh<sub>6</sub>Sn<sub>18</sub>: a valence fluctuating system with ultra-low thermal conductivity.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02759k","","","0.71073","MoKα","","0.0569","0.0423","","","0.1084","0.1164","","","","","","1.022","","","","has coordinates","296076","2024-11-22","23:51:08",""
"7717564","18.2666","0.0013","21.1885","0.0014","21.1999","0.0014","60.445","0.002","64.889","0.002","86.266","0.002","6353.8","0.8","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C102 H126 Ag5.81 Cu5.2 F12 O P8 S9 -","- C102 H125.999 Ag5.8043 Cu5.1957 F12 O P8 S9 -","- C204 H251.999 Ag11.6086 Cu10.3914 F24 O2 P16 S18 -","2","1","","Jin, Jun-Lin; Zhang, Sheng-Fa; Fang, Jun-Jie; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Assembly of silver(I)-copper(I) bimetallic thiolate complexes assisted by phenacetylene stabilizers","Dalton Transactions","2024","","","","","10.1039/D4DT02753A","","","0.71073","MoKα","","0.0935","0.0543","","","0.1388","0.1647","","","","","","1.04","","","","has coordinates,has disorder","296103","2024-11-25","23:51:21",""
"7717565","14.7623","0.0009","17.4036","0.0012","17.9645","0.0011","111.478","0.002","110.109","0.002","98.581","0.002","3828","0.4","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C82 H186 Ag21 Cu4 F24 N4 O4 P4 S20 -","- C82 H174 Ag21 Cu4 F24 N4 O4 P4 S20 -","- C82 H174 Ag21 Cu4 F24 N4 O4 P4 S20 -","1","0.5","","Jin, Jun-Lin; Zhang, Sheng-Fa; Fang, Jun-Jie; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Assembly of silver(I)-copper(I) bimetallic thiolate complexes assisted by phenacetylene stabilizers","Dalton Transactions","2024","","","","","10.1039/D4DT02753A","","","0.71073","MoKα","","0.1101","0.0625","","","0.1562","0.1809","","","","","","1.011","","","","has coordinates,has disorder","296103","2024-11-25","23:51:21",""
"7717566","4.5772","0.0002","18.3853","0.001","8.1572","0.0004","90","","95.268","0.002","90","","683.55","0.06","160","2","160","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H14 N4 O4 Pd -","- C12 H14 N4 O4 Pd -","- C24 H28 N8 O8 Pd2 -","2","0.5","","Pantelis, Konstantinos; Raptopoulou, Catherine; Psycharis, Vassilis; Tang, Jinkui; Stamatatos, Theocharis C.","Square planar Pd(II)/oximate complexes as ‘metalloligands’ for the directional assembly of 4f-metal ions: A new family of {Ln2Pd} (Ln = lanthanide) clusters exhibiting slow magnetization relaxation","Dalton Transactions","2024","","","","","10.1039/D4DT02691H","","","0.71073","MoKα","","0.0334","0.0206","","","0.0453","0.0492","","","","","","1.024","","","","has coordinates,has disorder","296104","2024-11-25","23:52:07",""
"7717567","12.1673","0.0002","12.7713","0.0002","13.0477","0.0002","91.807","0.001","96.213","0.001","98.618","0.001","1990.49","0.05","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H62 Dy2 N26 O32 Pd5 -","- C62 H62 Dy2 N26 O32 Pd5 -","- C62 H62 Dy2 N26 O32 Pd5 -","1","0.5","","Pantelis, Konstantinos; Raptopoulou, Catherine; Psycharis, Vassilis; Tang, Jinkui; Stamatatos, Theocharis C.","Square planar Pd(II)/oximate complexes as ‘metalloligands’ for the directional assembly of 4f-metal ions: A new family of {Ln2Pd} (Ln = lanthanide) clusters exhibiting slow magnetization relaxation","Dalton Transactions","2024","","","","","10.1039/D4DT02691H","","","0.71073","MoKα","","0.0256","0.0231","","","0.0496","0.0502","","","","","","1.168","","","","has coordinates,has disorder","296104","2024-11-25","23:52:08",""
"7717568","12.1945","0.0011","12.7509","0.0012","13.0041","0.0014","91.61","0.003","96.362","0.003","98.873","0.003","1983.4","0.3","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H62 N26 O32 Pd5 Yb2 -","- C62.216 H62 N26 O32 Pd5 Yb2 -","- C62.216 H62 N26 O32 Pd5 Yb2 -","1","0.5","","Pantelis, Konstantinos; Raptopoulou, Catherine; Psycharis, Vassilis; Tang, Jinkui; Stamatatos, Theocharis C.","Square planar Pd(II)/oximate complexes as ‘metalloligands’ for the directional assembly of 4f-metal ions: A new family of {Ln2Pd} (Ln = lanthanide) clusters exhibiting slow magnetization relaxation","Dalton Transactions","2024","","","","","10.1039/D4DT02691H","","","0.71073","MoKα","","0.0766","0.0539","","","0.1227","0.1375","","","","","","1.08","","","","has coordinates,has disorder","296104","2024-11-25","23:52:09",""
"7717569","12.1672","0.0007","12.7842","0.0005","13.095","0.0007","91.639","0.001","96.348","0.001","98.546","0.001","1999.83","0.18","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H62 Gd2 N26 O32 Pd5 -","- C62.132 H62 Gd2 N26 O32 Pd5 -","- C62.132 H62 Gd2 N26 O32 Pd5 -","1","0.5","","Pantelis, Konstantinos; Raptopoulou, Catherine; Psycharis, Vassilis; Tang, Jinkui; Stamatatos, Theocharis C.","Square planar Pd(II)/oximate complexes as ‘metalloligands’ for the directional assembly of 4f-metal ions: A new family of {Ln2Pd} (Ln = lanthanide) clusters exhibiting slow magnetization relaxation","Dalton Transactions","2024","","","","","10.1039/D4DT02691H","","","0.71073","MoKα","","0.0713","0.0489","","","0.1019","0.1114","","","","","","1.054","","","","has coordinates,has disorder","296104","2024-11-25","23:52:09",""
"7717570","12.1819","0.0006","12.765","0.0005","13.0467","0.0006","91.676","0.001","96.338","0.001","98.823","0.001","1990.32","0.16","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H62 Er2 N26 O32 Pd5 -","- C62 H62 Er2 N26 O32 Pd5 -","- C62 H62 Er2 N26 O32 Pd5 -","1","0.5","","Pantelis, Konstantinos; Raptopoulou, Catherine; Psycharis, Vassilis; Tang, Jinkui; Stamatatos, Theocharis C.","Square planar Pd(II)/oximate complexes as ‘metalloligands’ for the directional assembly of 4f-metal ions: A new family of {Ln2Pd} (Ln = lanthanide) clusters exhibiting slow magnetization relaxation","Dalton Transactions","2024","","","","","10.1039/D4DT02691H","","","0.71073","MoKα","","0.0568","0.041","","","0.0897","0.0976","","","","","","1.059","","","","has coordinates,has disorder","296104","2024-11-25","23:52:09",""
"7717571","9.4203","0.0002","10.0299","0.0003","15.1993","0.0004","95.869","0.001","105.941","0.001","113.318","0.001","1231.36","0.06","120","","120","","","","","","","","","5","P 1","P 1","1","","","","- C15 H42 Br18 N6 Sb4 -","- C15 H42 Br18 N6 Sb4 -","- C15 H42 Br18 N6 Sb4 -","1","1","","Bykov, Andrei V.; Shestimerova, Tatiana Alekseevna; Bykov, Michael A.; Gontcharenko , Victoria E.; Lyssenko, Konstantin; Metlin, Mikhail T.; Taydakov, Ilya V.; Grigorieva, Anastasia V.; Shevelkov, Andrei V.","A Chain-of-Dimers Anion in a Novel Hybrid Halometallate (C5H14N2)3{Sb2Br9}2 Exhibiting Photoluminescence Atypical for One-Dimensional Anions Features","Dalton Transactions","2024","","","","","10.1039/D4DT02751E","","","0.71073","MoKα","","0.063","0.0487","","","0.1364","0.1503","","","","","","1.005","","","","has coordinates","296150","2024-11-28","23:43:45",""
"7717572","9.185","0.0004","17.3019","0.0006","12.1405","0.0004","90","","90.977","0.002","90","","1929.06","0.12","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 B Cu F4 N6 O -","- C17 H13 B Cu F4 N6 O -","- C68 H52 B4 Cu4 F16 N24 O4 -","4","1","","Liyanage, Hansani T Lekam Wasam; Smith, Mark D.; Wheeler, Kraig A.; Semeniuc, Radu F.","Accessing bimetallic complexes through a variable bridging ligand strategy.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02903h","","x-ray","1.54178","CuKα","K-L~3~","0.0563","0.0446","","","0.135","0.1667","","","","","","1.061","","","","has coordinates","296151","2024-11-28","23:44:56",""
"7717573","8.8835","0.0003","15.2234","0.0005","9.6987","0.0003","90","","112.045","0.002","90","","1215.73","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H20 Cu N10 O3 -","- C25 H20 Cu N10 O3 -","- C50 H40 Cu2 N20 O6 -","2","1","","Liyanage, Hansani T Lekam Wasam; Smith, Mark D.; Wheeler, Kraig A.; Semeniuc, Radu F.","Accessing bimetallic complexes through a variable bridging ligand strategy.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02903h","","x-ray","1.54178","CuKα","K-L~3~","0.024","0.0235","","","0.0597","0.0601","","","","","","1.048","","","","has coordinates","296151","2024-11-28","23:44:56",""
"7717574","9.6542","0.0006","13.8554","0.0008","16.0283","0.0009","114.194","0.003","93.294","0.003","103.183","0.003","1876.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H32.56 Cu2 N12 O6.51 -","- C38 H32.56 Cu2 N12 O6.509 -","- C76 H65.12 Cu4 N24 O13.018 -","2","1","","Liyanage, Hansani T Lekam Wasam; Smith, Mark D.; Wheeler, Kraig A.; Semeniuc, Radu F.","Accessing bimetallic complexes through a variable bridging ligand strategy.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02903h","","x-ray","1.54178","CuKα","K-L~3~","0.0424","0.0376","","","0.0947","0.0986","","","","","","1.118","","","","has coordinates,has disorder","296151","2024-11-28","23:44:57",""
"7717575","29.99","0.003","8.1215","0.0008","17.963","0.0016","90","","104.213","0.004","90","","4241.2","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 Cl Cu N7 O5 -","- C19 H16 Cl Cu N7 O5 -","- C152 H128 Cl8 Cu8 N56 O40 -","8","1","","Liyanage, Hansani T Lekam Wasam; Smith, Mark D.; Wheeler, Kraig A.; Semeniuc, Radu F.","Accessing bimetallic complexes through a variable bridging ligand strategy.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02903h","","x-ray","1.54178","CuKα","K-L~3~","0.0369","0.0351","","","0.0893","0.0904","","","","","","1.061","","","","has coordinates,has disorder","296151","2024-11-28","23:44:58",""
"7717576","7.9593","0.0006","12.073","0.0009","15.9301","0.0011","69.659","0.004","81.772","0.004","89.586","0.004","1419.04","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C27.56 H25.13 Cl1.13 Cu N10 O3 -","- C27.566 H25.132 Cl1.132 Cu N10 O3 -","- C55.132 H50.264 Cl2.264 Cu2 N20 O6 -","2","1","","Liyanage, Hansani T Lekam Wasam; Smith, Mark D.; Wheeler, Kraig A.; Semeniuc, Radu F.","Accessing bimetallic complexes through a variable bridging ligand strategy.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02903h","","","1.54178","CuKα","","0.0456","0.0382","","","0.0973","0.1091","","","","","","1.089","","","","has coordinates,has disorder","296151","2024-11-28","23:44:58",""
"7717577","25.722","0.004","15.807","0.002","34.48","0.006","90","","95.155","0.01","90","","13962","4","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C54.76 H49.52 Cl1.52 Cu3 F6 N20 O6 P -","- C54 H48 Cu3 F6 N20 O6 P -","- C432 H384 Cu24 F48 N160 O48 P8 -","8","1","","Liyanage, Hansani T Lekam Wasam; Smith, Mark D.; Wheeler, Kraig A.; Semeniuc, Radu F.","Accessing bimetallic complexes through a variable bridging ligand strategy.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02903h","","x-ray","1.54184","CuKα","","0.1198","0.0702","","","0.1672","0.2004","","","","","","1.012","","","","has coordinates","296151","2024-11-28","23:44:58",""
"7717578","13.4052","0.0007","14.3404","0.0007","19.2792","0.0009","77.04","0.003","70.484","0.003","81.514","0.003","3393.6","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H60 Cl6 Cu2 N11 O6 P2 -","- C64 H56 Cl2 Cu2 N11 O6 P2 -","- C128 H112 Cl4 Cu4 N22 O12 P4 -","2","1","","Liyanage, Hansani T Lekam Wasam; Smith, Mark D.; Wheeler, Kraig A.; Semeniuc, Radu F.","Accessing bimetallic complexes through a variable bridging ligand strategy.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02903h","","x-ray","1.54178","CuKα","K-L~3~","0.0496","0.0408","","","0.1064","0.1185","","","","","","1.063","","","","has coordinates,has disorder","296151","2024-11-28","23:44:58",""
"7717579","11.9981","0.0003","5.10005","0.00013","26.8857","0.0007","90","","93.718","0.002","90","","1641.7","0.07","104","6","104","6","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C9 H18 As N3 O6 S3 -","- C9 H18 As N3 O6 S3 -","- C36 H72 As4 N12 O24 S12 -","4","1","","Hollow, Sophia E.; Johnstone, Timothy C.","Synthesis and structural characterization of the heavy tricysteinylpnictines, models of protein-bound As(III), Sb(III), and Bi(III).","Dalton transactions (Cambridge, England : 2003)","2024","53","47","18890","18901","10.1039/d4dt02476a","","x-ray","1.54184","CuKα","","0.0413","0.0391","","","0.1019","0.1028","","","","","","1.075","","","","has coordinates","296577","2024-12-06","18:58:34",""
"7717580","12.1577","0.0008","5.0648","0.0004","27.342","0.0015","90","","94.891","0.006","90","","1677.5","0.2","99.97","0.13","99.97","0.13","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C9 H18 N3 O6 S3 Sb -","- C9 H18 N3 O6 S3 Sb -","- C36 H72 N12 O24 S12 Sb4 -","4","1","","Hollow, Sophia E.; Johnstone, Timothy C.","Synthesis and structural characterization of the heavy tricysteinylpnictines, models of protein-bound As(III), Sb(III), and Bi(III).","Dalton transactions (Cambridge, England : 2003)","2024","53","47","18890","18901","10.1039/d4dt02476a","","x-ray","1.54184","CuKα","","0.0678","0.0553","","","0.12","0.1285","","","","","","1.001","","","","has coordinates","296577","2024-12-06","18:58:35",""
"7717581","5.107","0.0001","11.783","0.0003","28.0118","0.0007","90","","90","","90","","1685.63","0.07","99.99","0.1","99.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H20 Bi N3 O7 S3 -","- C9 H20 Bi N3 O7 S3 -","- C36 H80 Bi4 N12 O28 S12 -","4","1","","Hollow, Sophia E.; Johnstone, Timothy C.","Synthesis and structural characterization of the heavy tricysteinylpnictines, models of protein-bound As(III), Sb(III), and Bi(III).","Dalton transactions (Cambridge, England : 2003)","2024","53","47","18890","18901","10.1039/d4dt02476a","","x-ray","1.54184","CuKα","","0.0345","0.0312","","","0.0765","0.0786","","","","","","1.029","","","","has coordinates,has disorder","296577","2024-12-06","18:58:35",""
"7717582","6.992","0.0002","10.1133","0.0003","27.3441","0.0009","90","","90","","90","","1933.56","0.1","203","2","203","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 B10 -","- C17 H24 B10 -","- C68 H96 B40 -","4","1","","Kim, Soyeon; You, Dong Kyun; Kim, Namkyun; Shin, Ilsup; Kim, Dongwook; Lee, Kang Mun","Modulating radiative efficiency in <i>ortho</i>-carboranyl luminophores through electron-donating substituents: insights from intramolecular-charge-transfer-based emissions.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02897j","","","0.71073","MoKα","","0.0513","0.043","","","0.1057","0.1122","","","","","","1.052","","","","has coordinates","296153","2024-11-28","23:46:38",""
"7717583","11.2901","0.0006","9.1352","0.0004","25.977","0.0012","90","","93.4738","0.0018","90","","2674.3","0.2","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H38 B10 Si -","- C23 H38 B10 Si -","- C92 H152 B40 Si4 -","4","1","","Kim, Soyeon; You, Dong Kyun; Kim, Namkyun; Shin, Ilsup; Kim, Dongwook; Lee, Kang Mun","Modulating radiative efficiency in <i>ortho</i>-carboranyl luminophores through electron-donating substituents: insights from intramolecular-charge-transfer-based emissions.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02897j","","","0.71073","MoKα","","0.0984","0.0605","","","0.1184","0.1373","","","","","","1.07","","","","has coordinates","296153","2024-11-28","23:46:39",""
"7717584","9.0417","0.0004","11.243","0.0005","12.4505","0.0006","98.903","0.0015","93.8354","0.0017","91.7182","0.0018","1246.57","0.1","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H34 B10 Si -","- C21 H34 B10 Si -","- C42 H68 B20 Si2 -","2","1","","Kim, Soyeon; You, Dong Kyun; Kim, Namkyun; Shin, Ilsup; Kim, Dongwook; Lee, Kang Mun","Modulating radiative efficiency in <i>ortho</i>-carboranyl luminophores through electron-donating substituents: insights from intramolecular-charge-transfer-based emissions.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02897j","","","0.71073","MoKα","","0.0739","0.0517","","","0.1287","0.1424","","","","","","1.03","","","","has coordinates,has disorder","296153","2024-11-28","23:46:39",""
"7717585","11.0532","0.0006","13.0146","0.0006","19.2255","0.0009","95.7529","0.0018","90.2216","0.0019","105.569","0.0016","2649.4","0.2","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H38 B10 Si -","- C23 H38 B10 Si -","- C92 H152 B40 Si4 -","4","2","","Kim, Soyeon; You, Dong Kyun; Kim, Namkyun; Shin, Ilsup; Kim, Dongwook; Lee, Kang Mun","Modulating radiative efficiency in <i>ortho</i>-carboranyl luminophores through electron-donating substituents: insights from intramolecular-charge-transfer-based emissions.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02897j","","","0.71073","MoKα","","0.1236","0.0649","","","0.126","0.1526","","","","","","1.047","","","","has coordinates,has disorder","296153","2024-11-28","23:46:39",""
"7717586","9.3569","0.0006","10.8812","0.0006","12.1208","0.0007","98.2648","0.0019","94.752","0.002","92.699","0.002","1214.88","0.12","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H32 B10 Si -","- C20 H32 B10 Si -","- C40 H64 B20 Si2 -","2","1","","Kim, Soyeon; You, Dong Kyun; Kim, Namkyun; Shin, Ilsup; Kim, Dongwook; Lee, Kang Mun","Modulating radiative efficiency in <i>ortho</i>-carboranyl luminophores through electron-donating substituents: insights from intramolecular-charge-transfer-based emissions.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02897j","","","0.71073","MoKα","","0.0568","0.045","","","0.114","0.1229","","","","","","1.021","","","","has coordinates,has disorder","296153","2024-11-28","23:46:40",""
"7717587","11.5149","0.0007","14.8401","0.001","21.6004","0.0015","103.837","0.002","95.28","0.002","99.771","0.002","3497.9","0.4","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H38 B10 Si -","- C35 H38 B10 Si -","- C140 H152 B40 Si4 -","4","2","","Kim, Soyeon; You, Dong Kyun; Kim, Namkyun; Shin, Ilsup; Kim, Dongwook; Lee, Kang Mun","Modulating radiative efficiency in <i>ortho</i>-carboranyl luminophores through electron-donating substituents: insights from intramolecular-charge-transfer-based emissions.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02897j","","","0.71073","MoKα","","0.1139","0.068","","","0.1155","0.1368","","","","","","1.084","","","","has coordinates,has disorder","296153","2024-11-28","23:46:40",""
"7717588","13.651","0.004","18.181","0.005","11.1582","0.0019","90","","101.59","0.011","90","","2712.9","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 O4 Si -","- C28 H40 O4 Si -","- C112 H160 O16 Si4 -","4","1","","Thorwart, Thaddäus; Schmitt, Manuel; Greb, Lutz","Amplifying Lewis Acidity by Oxidation: Leveraging the Redox-Activity of Bis(3,6-di-tert-butyl-catecholato)silane","Dalton Transactions","2024","","","","","10.1039/D4DT03176H","","x-ray","0.71073","MoKα","","0.0778","0.0617","","","0.1627","0.1797","","","","","","1.067","","","","has coordinates","296173","2024-11-30","23:44:39",""
"7717589","6.257","0.0002","6.257","0.0002","6.257","0.0002","90","","90","","90","","244.962","0.014","293","2","293","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C2 Br0.85 I2.15 N Pb -","- C2.0004 Br0.84 I2.16 N0.9996 Pb -","- C2.0004 Br0.84 I2.16 N0.9996 Pb -","1","0.0208333","","Kucheriv, Olesia I.; Haleliuk, Dmytro A.; Shova, Sergiu; Gural'skiy, Il'ya A.","Fine tuning of optical band gap in mixed halide aziridinium lead perovskites","Dalton Transactions","2024","","","","","10.1039/D4DT02879A","","x-ray","1.54184","CuKα","","0.0673","0.0663","","","0.182","0.1852","","","","","","1.185","","","","has coordinates,has disorder","296174","2024-11-30","23:46:41",""
"7717590","6.0891","0.0002","6.0891","0.0002","6.0891","0.0002","90","","90","","90","","225.766","0.013","293","","293","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C2 Br2.01 I0.99 N Pb -","- C2.0004 Br2.01 I0.99 N0.9996 Pb -","- C2.0004 Br2.01 I0.99 N0.9996 Pb -","1","0.0208333","","Kucheriv, Olesia I.; Haleliuk, Dmytro A.; Shova, Sergiu; Gural'skiy, Il'ya A.","Fine tuning of optical band gap in mixed halide aziridinium lead perovskites","Dalton Transactions","2024","","","","","10.1039/D4DT02879A","","x-ray","0.71073","MoKα","","0.0474","0.0353","","","0.0822","0.0847","","","","","","1.001","","","","has coordinates,has disorder","296174","2024-11-30","23:46:48",""
"7717591","6.33861","0.00018","6.33861","0.00018","6.33861","0.00018","90","","90","","90","","254.673","0.013","250","0.4","250.15","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C2 Br0.09 I2.91 N Pb -","- C2.0004 Br0.087 I2.913 N0.9996 Pb -","- C2.0004 Br0.087 I2.913 N0.9996 Pb -","1","0.0208333","","Kucheriv, Olesia I.; Haleliuk, Dmytro A.; Shova, Sergiu; Gural'skiy, Il'ya A.","Fine tuning of optical band gap in mixed halide aziridinium lead perovskites","Dalton Transactions","2024","","","","","10.1039/D4DT02879A","","","0.71073","MoKα","","0.014","0.014","","","0.0428","0.0428","","","","","","1.25","","","","has coordinates,has disorder","296174","2024-11-30","23:46:49",""
"7717592","5.9968","0.0003","5.9968","0.0003","5.9968","0.0003","90","","90","","90","","215.655","0.019","293","2","293","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C2 Br2.8 I0.2 N Pb -","- C2.0004 Br2.79 I0.21 N0.9996 Pb -","- C2.0004 Br2.79 I0.21 N0.9996 Pb -","1","0.0208333","","Kucheriv, Olesia I.; Haleliuk, Dmytro A.; Shova, Sergiu; Gural'skiy, Il'ya A.","Fine tuning of optical band gap in mixed halide aziridinium lead perovskites","Dalton Transactions","2024","","","","","10.1039/D4DT02879A","","x-ray","1.54184","CuKα","","0.0437","0.0437","","","0.1073","0.1073","","","","","","1.174","","","","has coordinates,has disorder","296174","2024-11-30","23:46:50",""
"7717593","6.3506","0.0001","6.3506","0.0001","6.3506","0.0001","90","","90","","90","","256.12","0.007","250","0.3","250","0.3","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C2 Br0.04 I2.96 N Pb -","- C2.0004 Br0.03 I2.97 N0.9996 Pb -","- C2.0004 Br0.03 I2.97 N0.9996 Pb -","1","0.0208333","","Kucheriv, Olesia I.; Haleliuk, Dmytro A.; Shova, Sergiu; Gural'skiy, Il'ya A.","Fine tuning of optical band gap in mixed halide aziridinium lead perovskites","Dalton Transactions","2024","","","","","10.1039/D4DT02879A","","x-ray","0.71073","MoKα","","0.0302","0.03","","","0.0861","0.0861","","","","","","1.132","","","","has coordinates,has disorder","296174","2024-11-30","23:46:52",""
"7717594","6.1096","0.0001","6.1096","0.0001","6.1096","0.0001","90","","90","","90","","228.054","0.006","230","2","230","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C2 Br1.96 I1.04 N Pb -","- C2.0004 Br1.959 I1.041 N0.9996 Pb -","- C2.0004 Br1.959 I1.041 N0.9996 Pb -","1","0.0208333","","Kucheriv, Olesia I.; Haleliuk, Dmytro A.; Shova, Sergiu; Gural'skiy, Il'ya A.","Fine tuning of optical band gap in mixed halide aziridinium lead perovskites","Dalton Transactions","2024","","","","","10.1039/D4DT02879A","","","1.54184","CuKα","","0.0171","0.0171","","","0.0578","0.0578","","","","","","1.227","","","","has coordinates,has disorder","296174","2024-11-30","23:46:52",""
"7717595","6.0775","0.0003","6.0775","0.0003","6.0775","0.0003","90","","90","","90","","224.479","0.019","250","2","250","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C2 Br2.08 I0.92 N Pb -","- C2.0004 Br2.079 I0.921 N0.9996 Pb -","- C2.0004 Br2.079 I0.921 N0.9996 Pb -","1","0.0208333","","Kucheriv, Olesia I.; Haleliuk, Dmytro A.; Shova, Sergiu; Gural'skiy, Il'ya A.","Fine tuning of optical band gap in mixed halide aziridinium lead perovskites","Dalton Transactions","2024","","","","","10.1039/D4DT02879A","","x-ray","0.71073","MoKα","","0.0176","0.0176","","","0.0423","0.0423","","","","","","1.116","","","","has coordinates,has disorder","296174","2024-11-30","23:46:53",""
"7717596","9.0724","0.0005","9.1851","0.0005","13.8604","0.0007","88.933","0.004","78.708","0.004","63.108","0.006","1006.92","0.11","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H30 Sn -","- C22 H30 Sn -","- C44 H60 Sn2 -","2","1","","Lückert, Paula L.; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9-aluminafluorenes: molecular structures and reactivity","Dalton Transactions","2024","","","","","10.1039/D4DT03148B","","","0.71073","MoKα","","0.0347","0.0321","","","0.0778","0.0792","","","","","","1.143","","","","has coordinates","296187","2024-12-02","23:52:23",""
"7717597","14.1189","0.0005","7.9834","0.0003","22.9967","0.0007","90","","90","","90","","2592.12","0.16","173","2","173","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C20 H20 Al Br3 N4 -","- C20 H20 Al Br3 N4 -","- C80 H80 Al4 Br12 N16 -","4","0.5","","Lückert, Paula L.; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9-aluminafluorenes: molecular structures and reactivity","Dalton Transactions","2024","","","","","10.1039/D4DT03148B","","","0.71073","MoKα","","0.0381","0.0293","","","0.0706","0.0744","","","","","","1.054","","","","has coordinates,has disorder","296187","2024-12-02","23:52:23",""
"7717598","8.8787","0.0006","9.5697","0.0007","14.8476","0.0009","75.692","0.006","75.093","0.005","76.432","0.006","1161.41","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 Al Br N -","- C25 H29 Al Br N -","- C50 H58 Al2 Br2 N2 -","2","1","","Lückert, Paula L.; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9-aluminafluorenes: molecular structures and reactivity","Dalton Transactions","2024","","","","","10.1039/D4DT03148B","","","0.71073","MoKα","","0.0455","0.0355","","","0.0841","0.0894","","","","","","1.026","","","","has coordinates,has disorder","296187","2024-12-02","23:52:23",""
"7717599","9.2544","0.0011","12.0149","0.0011","17.0828","0.0017","90","","90.972","0.01","90","","1899.2","0.3","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H54 Al2 -","- C42 H54 Al2 -","- C84 H108 Al4 -","2","0.5","","Lückert, Paula L.; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9-aluminafluorenes: molecular structures and reactivity","Dalton Transactions","2024","","","","","10.1039/D4DT03148B","","","0.71073","MoKα","","0.0797","0.0627","","","0.1637","0.1725","","","","","","0.95","","","","has coordinates,has disorder","296187","2024-12-02","23:52:23",""
"7717600","10.6406","0.0006","11.0267","0.0008","11.4135","0.0007","106.286","0.006","94.576","0.005","104.445","0.006","1228.53","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H48 Al4 Br8 -","- C40 H48 Al4 Br8 -","- C40 H48 Al4 Br8 -","1","0.5","","Lückert, Paula L.; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9-aluminafluorenes: molecular structures and reactivity","Dalton Transactions","2024","","","","","10.1039/D4DT03148B","","","0.71073","MoKα","","0.0696","0.0456","","","0.0779","0.0857","","","","","","1.022","","","","has coordinates,has disorder","296187","2024-12-02","23:52:23",""
"7717601","13.1587","0.0008","14.9947","0.001","15.6441","0.0009","73.852","0.005","71.308","0.005","88.245","0.005","2802.8","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H54 Al2 -","- C42 H54 Al2 -","- C126 H162 Al6 -","3","1.5","","Lückert, Paula L.; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9-aluminafluorenes: molecular structures and reactivity","Dalton Transactions","2024","","","","","10.1039/D4DT03148B","","","0.71073","MoKα","","0.0706","0.0506","","","0.1289","0.1442","","","","","","1.034","","","","has coordinates,has disorder","296187","2024-12-02","23:52:23",""
"7717602","29.54","0.012","7.65","0.004","23.963","0.008","90","","116.36","0.04","90","","4852","4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H37 Al O -","- C25 H37 Al O -","- C200 H296 Al8 O8 -","8","1","","Lückert, Paula L.; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9-aluminafluorenes: molecular structures and reactivity","Dalton Transactions","2024","","","","","10.1039/D4DT03148B","","","0.71073","MoKα","","0.1682","0.0985","","","0.2257","0.2787","","","","","","0.976","","","","has coordinates","296187","2024-12-02","23:52:23",""
"7717603","9.462","0.0006","11.3383","0.0006","19.6914","0.0007","79.522","0.004","83.939","0.004","67.2","0.005","1913.57","0.19","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H59 Al -","- C44 H59 Al -","- C88 H118 Al2 -","2","1","","Lückert, Paula L.; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9-aluminafluorenes: molecular structures and reactivity","Dalton Transactions","2024","","","","","10.1039/D4DT03148B","","","0.71073","MoKα","","0.0774","0.0529","","","0.1318","0.1453","","","","","","1.033","","","","has coordinates,has disorder","296187","2024-12-02","23:52:24",""
"7717604","16.4386","0.0007","18.5881","0.0006","18.6041","0.0008","90","","113.92","0.005","90","","5196.5","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H35 Al N -","- C29 H35 Al N -","- C232 H280 Al8 N8 -","8","2","","Lückert, Paula L.; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9-aluminafluorenes: molecular structures and reactivity","Dalton Transactions","2024","","","","","10.1039/D4DT03148B","","","0.71073","MoKα","","0.0649","0.0481","","","0.1217","0.1346","","","","","","1.025","","","","has coordinates,has disorder","296187","2024-12-02","23:52:24",""
"7717605","19.2045","0.0015","15.4711","0.0011","9.503","0.0006","90","","90","","90","","2823.5","0.3","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H20 Al2 Br6 N4 -","- C20 H20 Al2 Br6 N4 -","- C80 H80 Al8 Br24 N16 -","4","1","","Lückert, Paula L.; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9-aluminafluorenes: molecular structures and reactivity","Dalton Transactions","2024","","","","","10.1039/D4DT03148B","","","0.71073","MoKα","","0.1008","0.0816","","","0.189","0.2021","","","","","","1.153","","","","has coordinates","296187","2024-12-02","23:52:24",""
"7717606","10.5399","0.0004","11.7073","0.0005","19.0482","0.0008","73.381","0.001","77.655","0.002","69.629","0.001","2094.24","0.15","193","2","192.9","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H58 Lu N2 P -","- C46 H58 Lu N2 P -","- C92 H116 Lu2 N4 P2 -","2","1","","Zhang, Lixin; Jiang, Wen","Phosphaguanidinate Yttrium Carbene, Carbyne and Carbide Complexes: Three Distinct C1 Functionalities","Dalton Transactions","2024","","","","","10.1039/D4DT03060E","","","0.71073","MoKα","","0.043","0.0372","","","0.0803","0.0829","","","","","","1.2","","","","has coordinates","296188","2024-12-02","23:56:39",""
"7717607","10.781","0.0007","12.3125","0.0008","23.2922","0.0015","88.012","0.003","84.891","0.003","67.907","0.002","2853.4","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H84 Lu N4 O2 P -","- C63 H84 Lu N4 O2 P -","- C126 H168 Lu2 N8 O4 P2 -","2","1","","Zhang, Lixin; Jiang, Wen","Phosphaguanidinate Yttrium Carbene, Carbyne and Carbide Complexes: Three Distinct C1 Functionalities","Dalton Transactions","2024","","","","","10.1039/D4DT03060E","","","1.34138","GaKα","","0.0466","0.0445","","","0.1166","0.1174","","","","","","1.219","","","","has coordinates","296188","2024-12-02","23:56:40",""
"7717608","15.5704","0.0006","18.4527","0.0006","16.5098","0.0006","90","","97.946","0.002","90","","4698","0.3","174","2","174","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H68 Lu N4 P -","- C55 H68 Lu N4 P -","- C220 H272 Lu4 N16 P4 -","4","1","","Zhang, Lixin; Jiang, Wen","Phosphaguanidinate Yttrium Carbene, Carbyne and Carbide Complexes: Three Distinct C1 Functionalities","Dalton Transactions","2024","","","","","10.1039/D4DT03060E","","","1.34138","GaKα","","0.0712","0.0613","","","0.1596","0.1659","","","","","","1.053","","","","has coordinates","296188","2024-12-02","23:56:40",""
"7717609","16.115","0.0014","16.9001","0.0016","19.322","0.002","90","","112.186","0.004","90","","4872.7","0.8","202","2","202.31","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H68 Al2 N2 P Y -","- C45 H68 Al2 N2 P Y -","- C180 H272 Al8 N8 P4 Y4 -","4","1","","Zhang, Lixin; Jiang, Wen","Phosphaguanidinate Yttrium Carbene, Carbyne and Carbide Complexes: Three Distinct C1 Functionalities","Dalton Transactions","2024","","","","","10.1039/D4DT03060E","","","0.71073","MoKα","","0.0776","0.0464","","","0.1078","0.1208","","","","","","1.038","","","","has coordinates","296188","2024-12-02","23:56:40",""
"7717610","15.5692","0.0014","18.5082","0.0016","16.5373","0.0015","90","","97.688","0.004","90","","4722.5","0.7","173","2","172.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H68 N4 P Y -","- C55 H68 N4 P Y -","- C220 H272 N16 P4 Y4 -","4","1","","Zhang, Lixin; Jiang, Wen","Phosphaguanidinate Yttrium Carbene, Carbyne and Carbide Complexes: Three Distinct C1 Functionalities","Dalton Transactions","2024","","","","","10.1039/D4DT03060E","","","1.34138","GaKα","","0.0519","0.0439","","","0.1111","0.1178","","","","","","1.043","","","","has coordinates","296188","2024-12-02","23:56:40",""
"7717611","12.7487","0.0005","18.7568","0.0007","17.9516","0.0007","90","","92.482","0.001","90","","4288.6","0.3","193","2","192.83","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H59 Al Lu N2 P -","- C42 H59 Al Lu N2 P -","- C168 H236 Al4 Lu4 N8 P4 -","4","1","","Zhang, Lixin; Jiang, Wen","Phosphaguanidinate Yttrium Carbene, Carbyne and Carbide Complexes: Three Distinct C1 Functionalities","Dalton Transactions","2024","","","","","10.1039/D4DT03060E","","","0.71073","MoKα","","0.0313","0.0218","","","0.0438","0.05","","","","","","1.1","","","","has coordinates","296188","2024-12-02","23:56:40",""
"7717612","12.962","0.008","19.845","0.012","22.439","0.014","90","","98.79","0.03","90","","5704","6","198","2","198","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H85 Lu N4 P -","- C64 H85 Lu N4 P -","- C256 H340 Lu4 N16 P4 -","4","1","","Zhang, Lixin; Jiang, Wen","Phosphaguanidinate Yttrium Carbene, Carbyne and Carbide Complexes: Three Distinct C1 Functionalities","Dalton Transactions","2024","","","","","10.1039/D4DT03060E","","","0.71073","MoKα","","0.0566","0.032","","","0.0654","0.0778","","","","","","1.051","","","","has coordinates","296188","2024-12-02","23:56:40",""
"7717613","12.0176","0.0006","18.7006","0.0011","19.404","0.0011","66.611","0.002","78.717","0.002","79.637","0.002","3899.7","0.4","193","2","193.29","","","","","","","","","6","P -1","-P 1","2","","","","- C82 H110 Al2 N4 P2 Y2 -","- C82 H110 Al2 N4 P2 Y2 -","- C164 H220 Al4 N8 P4 Y4 -","2","1","","Zhang, Lixin; Jiang, Wen","Phosphaguanidinate Yttrium Carbene, Carbyne and Carbide Complexes: Three Distinct C1 Functionalities","Dalton Transactions","2024","","","","","10.1039/D4DT03060E","","","0.71073","MoKα","","0.0533","0.0363","","","0.0798","0.0867","","","","","","1.044","","","","has coordinates","296188","2024-12-02","23:56:40",""
"7717614","19.836","0.0019","12.2333","0.0012","34.501","0.003","90","","93.891","0.004","90","","8352.7","1.4","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H115 Al3 N4 P2 Y2 -","- C84 H115 Al3 N4 P2 Y2 -","- C336 H460 Al12 N16 P8 Y8 -","4","1","","Zhang, Lixin; Jiang, Wen","Phosphaguanidinate Yttrium Carbene, Carbyne and Carbide Complexes: Three Distinct C1 Functionalities","Dalton Transactions","2024","","","","","10.1039/D4DT03060E","","","1.34139","GaKα","","0.0506","0.0418","","","0.0985","0.1053","","","","","","1.029","","","","has coordinates","296188","2024-12-02","23:56:40",""
"7717615","13.7051","0.0005","7.644","0.0002","10.7512","0.0004","90","","98.175","0.001","90","","1114.87","0.07","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 Fe N O2 S -","- C11 H13 Fe N O2 S -","- C44 H52 Fe4 N4 O8 S4 -","4","1","","Varmuzova, Vera; Cisarova, Ivana; Schulz, Jiří; Kalíková, Květa; Štěpnička, Petr","Pd-catalysed C–H bond functionalisation route to 1,2-dihydroferroceno[c]isoquinoline and its annellated derivatives and the reactivity of these compounds","Dalton Transactions","2024","","","","","10.1039/D4DT03063J","","","0.71073","MoKα","","0.0195","0.019","","","0.0493","0.0498","","","","","","1.037","","","","has coordinates","296203","2024-12-03","23:43:56",""
"7717616","8.3913","0.0008","14.5589","0.0012","16.3593","0.0017","67.187","0.007","88.963","0.007","73.568","0.007","1757.5","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H19 Fe N O2 S -","- C22 H19 Fe N O2 S -","- C88 H76 Fe4 N4 O8 S4 -","4","2","","Varmuzova, Vera; Cisarova, Ivana; Schulz, Jiří; Kalíková, Květa; Štěpnička, Petr","Pd-catalysed C–H bond functionalisation route to 1,2-dihydroferroceno[c]isoquinoline and its annellated derivatives and the reactivity of these compounds","Dalton Transactions","2024","","","","","10.1039/D4DT03063J","","","1.54178","CuKα","","0.1685","0.0741","","","0.155","0.1919","","","","","","0.975","","","","has coordinates","296203","2024-12-03","23:43:56",""
"7717617","11.9274","0.0002","15.8153","0.0003","11.2907","0.0002","90","","114.259","0.001","90","","1941.76","0.06","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Br Fe N O2 S -","- C22 H20 Br Fe N O2 S -","- C88 H80 Br4 Fe4 N4 O8 S4 -","4","1","","Varmuzova, Vera; Cisarova, Ivana; Schulz, Jiří; Kalíková, Květa; Štěpnička, Petr","Pd-catalysed C–H bond functionalisation route to 1,2-dihydroferroceno[c]isoquinoline and its annellated derivatives and the reactivity of these compounds","Dalton Transactions","2024","","","","","10.1039/D4DT03063J","","","0.71073","MoKα","","0.0183","0.0173","","","0.0421","0.0426","","","","","","1.04","","","","has coordinates","296203","2024-12-03","23:43:56",""
"7717618","9.3915","0.0004","10.651","0.0005","18.0749","0.0009","105.218","0.002","97.607","0.002","94.929","0.002","1715.44","0.14","120","2","120","2","","","","","","","","10","P -1","-P 1","2","","","","- C30 H36 Cl4 F6 Fe N O2 P Ru S -","- C30 H36 Cl4 F6 Fe N O2 P Ru S -","- C60 H72 Cl8 F12 Fe2 N2 O4 P2 Ru2 S2 -","2","1","","Varmuzova, Vera; Cisarova, Ivana; Schulz, Jiří; Kalíková, Květa; Štěpnička, Petr","Pd-catalysed C–H bond functionalisation route to 1,2-dihydroferroceno[c]isoquinoline and its annellated derivatives and the reactivity of these compounds","Dalton Transactions","2024","","","","","10.1039/D4DT03063J","","","0.71073","MoKα","","0.0192","0.0183","","","0.0463","0.047","","","","","","1.041","","","","has coordinates","296203","2024-12-03","23:43:57",""
"7717619","12.6893","0.0005","16.3022","0.0006","11.2724","0.0005","90","","112.868","0.001","90","","2148.57","0.15","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Br Fe N O2 S -","- C26 H22 Br Fe N O2 S -","- C104 H88 Br4 Fe4 N4 O8 S4 -","4","1","","Varmuzova, Vera; Cisarova, Ivana; Schulz, Jiří; Kalíková, Květa; Štěpnička, Petr","Pd-catalysed C–H bond functionalisation route to 1,2-dihydroferroceno[c]isoquinoline and its annellated derivatives and the reactivity of these compounds","Dalton Transactions","2024","","","","","10.1039/D4DT03063J","","","0.71073","MoKα","","0.0326","0.0304","","","0.0914","0.0941","","","","","","1.043","","","","has coordinates","296203","2024-12-03","23:43:58",""
"7717620","10.8319","0.0003","9.5698","0.0003","20.1927","0.0006","90","","100.296","0.001","90","","2059.45","0.11","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 Fe N O2 S -","- C26 H21 Fe N O2 S -","- C104 H84 Fe4 N4 O8 S4 -","4","1","","Varmuzova, Vera; Cisarova, Ivana; Schulz, Jiří; Kalíková, Květa; Štěpnička, Petr","Pd-catalysed C–H bond functionalisation route to 1,2-dihydroferroceno[c]isoquinoline and its annellated derivatives and the reactivity of these compounds","Dalton Transactions","2024","","","","","10.1039/D4DT03063J","","","0.71073","MoKα","","0.0249","0.0243","","","0.0625","0.0629","","","","","","1.053","","","","has coordinates","296203","2024-12-03","23:43:58",""
"7717621","15.7505","0.0003","12.2238","0.0002","17.1904","0.0003","90","","100.605","0.001","90","","3253.15","0.1","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 Fe N O2.25 S -","- C19 H19 Fe N O2.25 S -","- C152 H152 Fe8 N8 O18 S8 -","8","2","","Varmuzova, Vera; Cisarova, Ivana; Schulz, Jiří; Kalíková, Květa; Štěpnička, Petr","Pd-catalysed C–H bond functionalisation route to 1,2-dihydroferroceno[c]isoquinoline and its annellated derivatives and the reactivity of these compounds","Dalton Transactions","2024","","","","","10.1039/D4DT03063J","","","0.71073","MoKα","","0.0276","0.0267","","","0.068","0.0687","","","","","","1.034","","","","has coordinates","296203","2024-12-03","23:43:58",""
"7717622","23.8457","0.001","11.9269","0.0005","12.1075","0.0005","90","","94.159","0.002","90","","3434.4","0.2","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Br Fe N O2 S -","- C18 H18 Br Fe N O2 S -","- C144 H144 Br8 Fe8 N8 O16 S8 -","8","2","","Varmuzova, Vera; Cisarova, Ivana; Schulz, Jiří; Kalíková, Květa; Štěpnička, Petr","Pd-catalysed C–H bond functionalisation route to 1,2-dihydroferroceno[c]isoquinoline and its annellated derivatives and the reactivity of these compounds","Dalton Transactions","2024","","","","","10.1039/D4DT03063J","","","0.71073","MoKα","","0.0199","0.0183","","","0.0453","0.0462","","","","","","1.051","","","","has coordinates","296203","2024-12-03","23:43:58",""
"7717623","18.0702","0.0005","13.9237","0.0003","32.2579","0.0008","90","","91.586","0.001","90","","8113.1","0.3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C183 H154 Ag4 Cl6 I4 N4 P8 -","- C183 H154 Ag4 Cl6 I4 N4 P8 -","- C366 H308 Ag8 Cl12 I8 N8 P16 -","2","0.5","","Li, Xiao; Wei, shanyue; Zhang, Dong-Hai; Hu, Jia-Xuan; Hou, Chenlu; Lin, Ting-Ting; Chen, Xu-Lin; Lu, Can-Zhong","Silver(I)-Iodine Cluster with Efficient Thermally Activated Delayed Fluorescence and Suppressed Concentration Quenching","Dalton Transactions","2024","","","","","10.1039/D4DT02855D","","x-ray","0.71073","MoKα","","0.0811","0.043","","","0.0889","0.1103","","","","","","1.038","","","","has coordinates,has disorder","296204","2024-12-03","23:44:32",""
"7717624","41.92","0.04","5.948","0.005","9.899","0.011","90","","94.88","0.04","90","","2459","4","299","2","299","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H11 N3 O -","- C16 H11 N3 O -","- C128 H88 N24 O8 -","8","1","","Angarkhe, Priyanka R.; Sahoo, Satyajit; Deo, Simran Singh; Shankar, Kripa S. R.; Upadhyay, Manav; Mahiya, Kuldeep; Tripathy, Jagnyaseni; Behera, Rakesh K.; Mohapatra, Swagat K.","Structural and Optical Studies of Fluoride ion binding using N-heteroaromatic based ligands.","Dalton Transactions","2024","","","","","10.1039/D4DT02857K","","","0.71073","MoKα","","0.1544","0.068","","","0.1376","0.1796","","","","","","1.086","","","","has coordinates","296205","2024-12-03","23:45:18",""
"7717625","8.0639","0.001","8.1559","0.0011","10.4359","0.0014","99.948","0.005","108.024","0.004","96.408","0.005","632.8","0.15","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 N2 O S -","- C16 H10 N2 O S -","- C32 H20 N4 O2 S2 -","2","1","","Angarkhe, Priyanka R.; Sahoo, Satyajit; Deo, Simran Singh; Shankar, Kripa S. R.; Upadhyay, Manav; Mahiya, Kuldeep; Tripathy, Jagnyaseni; Behera, Rakesh K.; Mohapatra, Swagat K.","Structural and Optical Studies of Fluoride ion binding using N-heteroaromatic based ligands.","Dalton Transactions","2024","","","","","10.1039/D4DT02857K","","","0.71073","MoKα","","0.1035","0.0496","","","0.1111","0.1437","","","","","","1.105","","","","has coordinates","296205","2024-12-03","23:45:19",""
"7717626","19.939","0.007","16.407","0.005","20.147","0.006","90","","90.563","0.012","90","","6591","4","299","","299.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H54 F N3 O6 -","- C29 H54 F N3 O6 -","- C232 H432 F8 N24 O48 -","8","2","","Angarkhe, Priyanka R.; Sahoo, Satyajit; Deo, Simran Singh; Shankar, Kripa S. R.; Upadhyay, Manav; Mahiya, Kuldeep; Tripathy, Jagnyaseni; Behera, Rakesh K.; Mohapatra, Swagat K.","Structural and Optical Studies of Fluoride ion binding using N-heteroaromatic based ligands.","Dalton Transactions","2024","","","","","10.1039/D4DT02857K","","","0.71073","MoKα","","0.2421","0.0776","","","0.1732","0.2229","","","","","","0.866","","","","has coordinates","296205","2024-12-03","23:45:19",""
"7717627","8.2214","0.0014","17.687","0.003","23.149","0.003","90","","97.908","0.005","90","","3334.1","0.9","299","2","299","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H49.55 F N4 O3 -","- C32 H49.551 F N4 O3 -","- C128 H198.204 F4 N16 O12 -","4","1","","Angarkhe, Priyanka R.; Sahoo, Satyajit; Deo, Simran Singh; Shankar, Kripa S. R.; Upadhyay, Manav; Mahiya, Kuldeep; Tripathy, Jagnyaseni; Behera, Rakesh K.; Mohapatra, Swagat K.","Structural and Optical Studies of Fluoride ion binding using N-heteroaromatic based ligands.","Dalton Transactions","2024","","","","","10.1039/D4DT02857K","","","0.71073","MoKα","","0.104","0.0594","","","0.1739","0.1977","","","","","","1.076","","","","has coordinates,has disorder","296205","2024-12-03","23:45:19",""
"7717628","3.8217","0.0009","5.7898","0.0011","24.196","0.005","94.416","0.007","91.1","0.009","93.667","0.008","532.5","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H11 N2 O2.5 -","- C13 H11 N2 O2.5 -","- C26 H22 N4 O5 -","2","1","","Angarkhe, Priyanka R.; Sahoo, Satyajit; Deo, Simran Singh; Shankar, Kripa S. R.; Upadhyay, Manav; Mahiya, Kuldeep; Tripathy, Jagnyaseni; Behera, Rakesh K.; Mohapatra, Swagat K.","Structural and Optical Studies of Fluoride ion binding using N-heteroaromatic based ligands.","Dalton Transactions","2024","","","","","10.1039/D4DT02857K","","","0.71073","MoKα","","0.166","0.0695","","","0.145","0.2003","","","","","","1.084","","","","has coordinates","296205","2024-12-03","23:45:19",""
"7717629","8.2612","0.0012","9.5452","0.0014","9.9777","0.0012","94.986","0.004","93.564","0.004","98.378","0.005","773.21","0.19","299","2","299","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H46 F N3 O S -","- C32 H46 F N3 O S -","- C32 H46 F N3 O S -","1","1","","Angarkhe, Priyanka R.; Sahoo, Satyajit; Deo, Simran Singh; Shankar, Kripa S. R.; Upadhyay, Manav; Mahiya, Kuldeep; Tripathy, Jagnyaseni; Behera, Rakesh K.; Mohapatra, Swagat K.","Structural and Optical Studies of Fluoride ion binding using N-heteroaromatic based ligands.","Dalton Transactions","2024","","","","","10.1039/D4DT02857K","","","0.71073","MoKα","","0.1017","0.0574","","","0.1087","0.1245","","","","","","1.051","","","","has coordinates,has disorder","296205","2024-12-03","23:45:19",""
"7717630","11.4638","0.001","12.56","0.0011","16.3969","0.0014","77.05","0.003","78.707","0.003","78.617","0.003","2227","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H39 Cu3 N8 O14 S6 -","- C30 H38 Cu3 N8 O14 S6 -","- C60 H76 Cu6 N16 O28 S12 -","2","1","","Guo, Ting-Ting; Hua, Bing-Long; Guo, Zhuo-Yi; Zhang, Meng-Qi; Wang, Jin-Rong; An, Yan-Yan; Li, Xiao-Nan; Yan, Juan-Zhi","A copper(II)-based metal-organic framework: electrochemical sensing of Cd(II) and Pb(II) and adsorption of organic dyes.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02374a","","","0.71073","MoKα","","0.1385","0.0713","","","0.1812","0.2191","","","","","","1.024","","","","has coordinates","296206","2024-12-03","23:45:46",""
"7717631","6.9067","0.0001","11.6814","0.0002","18.0095","0.0003","90","","100.739","0.001","90","","1427.56","0.04","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Ni(II)-ethylenebisbiguanide","","- C6 H18 Cl2 N10 Ni O -","- C6 H18 Cl2 N10 Ni O -","- C24 H72 Cl8 N40 Ni4 O4 -","4","1","","Khatri, Jaipriya; Mari, Vasanthapandiyan; Sarkar, Aniruddha; Karmodak, Naiwrit; Dhar, Basab Bijayi","C-H Bond Chlorination and Bromination Using Water Soluble Nickel (II) guanidine Complexes","Dalton Transactions","2024","","","","","10.1039/D4DT02783C","","","0.71073","MoKα","","0.0348","0.0301","","","0.0712","0.0737","","","","","","1.099","","","","has coordinates","296207","2024-12-03","23:46:00",""
"7717632","13.433","0.002","11.0399","0.0016","14.619","0.002","90","","96.647","0.005","90","","2153.4","0.5","177","","177","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Ce(Cp')2(OEt)]2","","- C18 H31 Ce O Si2 -","- C18 H31 Ce O Si2 -","- C72 H124 Ce4 O4 Si8 -","4","1","","Brown, Adrian N.; Kelleher, Jack N.; Brown, Alexander M.; Saghy, Peter; Bohl, Joshua J.; Robinson, Jerome R.; Huh, Daniel N.","Synthesis and reduction of [(C<sub>5</sub>H<sub>4</sub>SiMe<sub>3</sub>)<sub>2</sub>Ln(μ-OR)]<sub>2</sub> (Ln = La, Ce) complexes: structural effects of bridging alkoxides.","Dalton transactions (Cambridge, England : 2003)","2024","53","47","18856","18864","10.1039/d4dt02137a","","","0.71073","MoKα","","0.0191","0.0184","","","0.0463","0.0466","","","","","","1.082","","","","has coordinates","296219","2024-12-04","23:00:25",""
"7717633","18.043","0.002","13.8611","0.0019","18.671","0.003","90","","100.767","0.005","90","","4587.3","1.1","173","","173","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","[Ce(Cp')2(OiPr)]2","","- C38 H66 Ce2 O2 Si4 -","- C38 H66 Ce2 O2 Si4 -","- C152 H264 Ce8 O8 Si16 -","4","1","","Brown, Adrian N.; Kelleher, Jack N.; Brown, Alexander M.; Saghy, Peter; Bohl, Joshua J.; Robinson, Jerome R.; Huh, Daniel N.","Synthesis and reduction of [(C<sub>5</sub>H<sub>4</sub>SiMe<sub>3</sub>)<sub>2</sub>Ln(μ-OR)]<sub>2</sub> (Ln = La, Ce) complexes: structural effects of bridging alkoxides.","Dalton transactions (Cambridge, England : 2003)","2024","53","47","18856","18864","10.1039/d4dt02137a","","","0.71073","MoKα","","0.0948","0.0527","","","0.1335","0.1583","","","","","","1.035","","","","has coordinates,has disorder","296219","2024-12-04","23:00:29",""
"7717634","18.0071","0.0007","13.843","0.0006","18.6821","0.0007","90","","101.345","0.002","90","","4565.9","0.3","173","","173","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","[La(Cp')2(OiPr)]2","","- C38 H66 La2 O2 Si4 -","- C38 H66 La2 O2 Si4 -","- C152 H264 La8 O8 Si16 -","4","1","","Brown, Adrian N.; Kelleher, Jack N.; Brown, Alexander M.; Saghy, Peter; Bohl, Joshua J.; Robinson, Jerome R.; Huh, Daniel N.","Synthesis and reduction of [(C<sub>5</sub>H<sub>4</sub>SiMe<sub>3</sub>)<sub>2</sub>Ln(μ-OR)]<sub>2</sub> (Ln = La, Ce) complexes: structural effects of bridging alkoxides.","Dalton transactions (Cambridge, England : 2003)","2024","53","47","18856","18864","10.1039/d4dt02137a","","","0.71073","MoKα","","0.0259","0.0226","","","0.0529","0.055","","","","","","1.069","","","","has coordinates,has disorder","296219","2024-12-04","23:00:30",""
"7717638","8.7098","0.0002","8.8878","0.0002","19.9949","0.0005","90","","98.082","0.002","90","","1532.45","0.06","104.1","0.5","104.1","0.5","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H24 Cl2 Cu N6 O9 -","- C30 H24 Cl2 Cu N6 O9 -","- C60 H48 Cl4 Cu2 N12 O18 -","2","1","","Biswas, Jyotiprokash; Sanden, Sebastian; Bhardwaj, Prabhakar; Siegmund, Daniel; Kumar, Pankaj; Apfel, Ulf-Peter","A Terpyridine based Copper Complex for Electrochemical Reduction of Nitrite to Nitric Oxide","Dalton Transactions","2024","","","","","10.1039/D4DT02777A","","x-ray","1.54184","CuKα","","0.047","0.0421","","","0.1023","0.105","","","","","","1.038","","","","has coordinates,has disorder","296244","2024-12-05","23:49:17",""
"7717639","7.7304","0.0004","10.1821","0.0005","12.9851","0.0007","79.875","0.004","78.508","0.004","73.768","0.004","953.8","0.09","104.2","0.7","104.2","0.7","","","","","","","","6","P -1","-P 1","2","","","","- C17 H14 Cl Cu N5 O6 -","- C17 H14 Cl Cu N5 O6 -","- C34 H28 Cl2 Cu2 N10 O12 -","2","1","","Biswas, Jyotiprokash; Sanden, Sebastian; Bhardwaj, Prabhakar; Siegmund, Daniel; Kumar, Pankaj; Apfel, Ulf-Peter","A Terpyridine based Copper Complex for Electrochemical Reduction of Nitrite to Nitric Oxide","Dalton Transactions","2024","","","","","10.1039/D4DT02777A","","x-ray","1.54184","CuKα","","0.034","0.0317","","","0.0858","0.0874","","","","","","1.052","","","","has coordinates","296244","2024-12-05","23:49:18",""
"7717640","8.6165","0.0004","8.6728","0.0004","27.0547","0.0008","98.785","0.003","97.177","0.003","97.049","0.003","1961.56","0.14","105.4","0.9","105.4","0.9","","","","","","","","6","P -1","-P 1","2","","","","- C17 H14 Cl2 Cu N4 O8 -","- C17 H14 Cl2 Cu N4 O8 -","- C68 H56 Cl8 Cu4 N16 O32 -","4","2","","Biswas, Jyotiprokash; Sanden, Sebastian; Bhardwaj, Prabhakar; Siegmund, Daniel; Kumar, Pankaj; Apfel, Ulf-Peter","A Terpyridine based Copper Complex for Electrochemical Reduction of Nitrite to Nitric Oxide","Dalton Transactions","2024","","","","","10.1039/D4DT02777A","","x-ray","1.54184","CuKα","","0.0553","0.0539","","","0.152","0.1543","","","","","","1.077","","","","has coordinates","296244","2024-12-05","23:49:18",""
"7717641","13.3459","0.0007","9.4549","0.0004","11.8624","0.0006","90","","99.053","0.005","90","","1478.2","0.13","100.01","0.12","100.01","0.12","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C15 H11 Cu N5 O4 -","- C15 H11 Cu N5 O4 -","- C60 H44 Cu4 N20 O16 -","4","0.5","","Biswas, Jyotiprokash; Sanden, Sebastian; Bhardwaj, Prabhakar; Siegmund, Daniel; Kumar, Pankaj; Apfel, Ulf-Peter","A Terpyridine based Copper Complex for Electrochemical Reduction of Nitrite to Nitric Oxide","Dalton Transactions","2024","","","","","10.1039/D4DT02777A","","x-ray","1.54184","CuKα","","0.0518","0.0492","","","0.1297","0.132","","","","","","1.061","","","","has coordinates,has disorder","296244","2024-12-05","23:49:18",""
"7717642","10.1663","0.0002","26.6284","0.0004","7.2548","0.0001","90","","101.129","0.002","90","","1927.03","0.06","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cu F6 N3 O3 P -","- C17 H16 Cu F6 N3 O3 P -","- C68 H64 Cu4 F24 N12 O12 P4 -","4","1","","Biswas, Jyotiprokash; Sanden, Sebastian; Bhardwaj, Prabhakar; Siegmund, Daniel; Kumar, Pankaj; Apfel, Ulf-Peter","A Terpyridine based Copper Complex for Electrochemical Reduction of Nitrite to Nitric Oxide","Dalton Transactions","2024","","","","","10.1039/D4DT02777A","","x-ray","1.54184","CuKα","","0.0499","0.0433","","","0.1154","0.1196","","","","","","1.07","","","","has coordinates","296244","2024-12-05","23:49:18",""
"7717643","20.2561","0.0001","37.4829","0.0003","17.4462","0.0001","90","","96.084","0.001","90","","13171.5","0.15","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 Cu2 N10 O4 -","- C34 H28 Cu2 N10 O4 -","- C544 H448 Cu32 N160 O64 -","16","4","","Biswas, Jyotiprokash; Sanden, Sebastian; Bhardwaj, Prabhakar; Siegmund, Daniel; Kumar, Pankaj; Apfel, Ulf-Peter","A Terpyridine based Copper Complex for Electrochemical Reduction of Nitrite to Nitric Oxide","Dalton Transactions","2024","","","","","10.1039/D4DT02777A","","x-ray","1.54184","CuKα","","0.059","0.0399","","","0.1027","0.1132","","","","","","1.013","","","","has coordinates,has disorder","296244","2024-12-05","23:49:18",""
"7717644","15.947","0.011","17.836","0.016","15.552","0.01","90","","113.15","0.02","90","","4067","5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H37 F6 N2 Ni P3 S2 -","- C40 H37 F6 N2 Ni P3 S2 -","- C160 H148 F24 N8 Ni4 P12 S8 -","4","1","","Pal, Sarvesh Kumar; Ansari, Toufik; Yadav, Chote Lal; Singh, Nanhai; Lama, Prem; Indra, Arindam; Kumar, Kamlesh","Ni(II)-dithiocarbamate and -diphosphine coordination complexes as pre-catalysts for electrochemical OER activity","Dalton Transactions","2024","","","","","10.1039/D4DT02447H","","","0.71073","MoKα","","0.1249","0.0838","","","0.2061","0.2326","","","","","","1.041","","","","has coordinates","296245","2024-12-05","23:50:05",""
"7717645","11.0237","0.0011","14.7281","0.0015","14.8606","0.0016","69.673","0.003","87.511","0.003","89.058","0.003","2260.4","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C49 H42 F6 Fe N Ni P3 S2 -","- C49 H42 F6 Fe N Ni P3 S2 -","- C98 H84 F12 Fe2 N2 Ni2 P6 S4 -","2","1","","Pal, Sarvesh Kumar; Ansari, Toufik; Yadav, Chote Lal; Singh, Nanhai; Lama, Prem; Indra, Arindam; Kumar, Kamlesh","Ni(II)-dithiocarbamate and -diphosphine coordination complexes as pre-catalysts for electrochemical OER activity","Dalton Transactions","2024","","","","","10.1039/D4DT02447H","","","0.71073","MoKα","","0.0465","0.0361","","","0.0808","0.0865","","","","","","1.036","","","","has coordinates","296245","2024-12-05","23:50:06",""
"7717646","16.1692","0.0009","18.0945","0.0008","15.4262","0.0007","90","","113.54","0.006","90","","4137.7","0.4","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H38 F6 N Ni P3 S2 -","- C41 H38 F6 N Ni P3 S2 -","- C164 H152 F24 N4 Ni4 P12 S8 -","4","1","","Pal, Sarvesh Kumar; Ansari, Toufik; Yadav, Chote Lal; Singh, Nanhai; Lama, Prem; Indra, Arindam; Kumar, Kamlesh","Ni(II)-dithiocarbamate and -diphosphine coordination complexes as pre-catalysts for electrochemical OER activity","Dalton Transactions","2024","","","","","10.1039/D4DT02447H","","","0.71073","MoKα","","0.1181","0.0764","","","0.2267","0.2898","","","","","","0.999","","","","has coordinates,has disorder","296245","2024-12-05","23:50:06",""
"7717647","13.8633","0.0004","14.168","0.0004","14.6572","0.0004","81.301","0.001","61.952","0.001","63.989","0.001","2277.94","0.12","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H41 F6 Fe N2 Ni P3 S2 -","- C48 H41 F6 Fe N2 Ni P3 S2 -","- C96 H82 F12 Fe2 N4 Ni2 P6 S4 -","2","1","","Pal, Sarvesh Kumar; Ansari, Toufik; Yadav, Chote Lal; Singh, Nanhai; Lama, Prem; Indra, Arindam; Kumar, Kamlesh","Ni(II)-dithiocarbamate and -diphosphine coordination complexes as pre-catalysts for electrochemical OER activity","Dalton Transactions","2024","","","","","10.1039/D4DT02447H","","","0.71073","MoKα","","0.0528","0.0466","","","0.1188","0.1241","","","","","","1.03","","","","has coordinates,has disorder","296245","2024-12-05","23:50:06",""
"7717671","12.8828","0.0007","24.2495","0.0013","7.6958","0.0004","90","","106.959","0.001","90","","2299.6","0.2","110","2","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Ni_dadt_Ni_NO_Cl","","- C21 H28 Cl N3 Ni2 O S2 -","- C21 H28 Cl N3 Ni2 O S2 -","- C84 H112 Cl4 N12 Ni8 O4 S8 -","4","1","","Jana, Manish; Hall, Michael B.; Darensbourg, Marcetta Y.","A sulfur-templated Ni-Ni' coordination polymer that relies on a polarizable nickel nitrosyl hub.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt03174a","","","1.54178","CuKα","","0.0369","0.0338","","","0.0841","0.0862","","","","","","1.124","","","","has coordinates","296899","2024-12-17","23:55:21",""
"7717672","12.1749","0.0003","8.9892","0.0002","13.4302","0.0003","90","","116.65","0.001","90","","1313.69","0.05","110","","110","","","","","","","","","6","P 1 21 1","P 2yb","4","","Ni_Dadt_Bz_Ni_NO_N3_MeCN","","- C23 H31 N7 Ni2 O S2 -","- C23 H31 N7 Ni2 O S2 -","- C46 H62 N14 Ni4 O2 S4 -","2","1","","Jana, Manish; Hall, Michael B.; Darensbourg, Marcetta Y.","A sulfur-templated Ni-Ni' coordination polymer that relies on a polarizable nickel nitrosyl hub.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt03174a","","","1.54178","CuKα","","0.0304","0.0285","","","0.0717","0.0725","","","","","","1.042","","","","has coordinates","296899","2024-12-17","23:55:22",""
"7717673","12.23","0.0007","9.0117","0.0005","13.4991","0.0008","90","","115.129","0.003","90","","1346.97","0.14","110","","110","","","","","","","","","6","P 1 21 1","P 2yb","4","","Ni_Dadt_Bz_Ni_NO_N3_DMF","","- C24 H35 N7 Ni2 O2 S2 -","- C24 H35 N7 Ni2 O2 S2 -","- C48 H70 N14 Ni4 O4 S4 -","2","1","","Jana, Manish; Hall, Michael B.; Darensbourg, Marcetta Y.","A sulfur-templated Ni-Ni' coordination polymer that relies on a polarizable nickel nitrosyl hub.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt03174a","","x-ray","1.54178","CuKα","","0.0495","0.0412","","","0.0893","0.0966","","","","","","1.074","","","","has coordinates","296899","2024-12-17","23:55:23",""
"7717674","12.0943","0.0004","9.0239","0.0003","12.99","0.0005","90","","114.259","0.002","90","","1292.51","0.08","110","","110","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H32 N6 Ni2 O2 S2 -","- C21 H28 N6 Ni2 O S2 -","- C42 H56 N12 Ni4 O2 S4 -","2","1","","Jana, Manish; Hall, Michael B.; Darensbourg, Marcetta Y.","A sulfur-templated Ni-Ni' coordination polymer that relies on a polarizable nickel nitrosyl hub.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt03174a","","x-ray","1.54178","CuKα","","0.0502","0.0487","","","0.1222","0.1236","","","","","","1.074","","","","has coordinates,has disorder","296899","2024-12-17","23:55:23",""
"7717675","12.177","0.001","12.5543","0.001","18.8033","0.0015","85.08","0.002","82.619","0.003","63.925","0.002","2559.2","0.4","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H62 Cl4 N6 Ni4 S4 -","- C46 H62 Cl4 N6 Ni4 S4 -","- C92 H124 Cl8 N12 Ni8 S8 -","2","1","","Jana, Manish; Hall, Michael B.; Darensbourg, Marcetta Y.","A sulfur-templated Ni-Ni' coordination polymer that relies on a polarizable nickel nitrosyl hub.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt03174a","","","0.71073","MoKα","","0.0439","0.0322","","","0.0826","0.0886","","","","","","1.039","","","","has coordinates","296899","2024-12-17","23:55:23",""
"7717676","9.7816","0.0004","15.5698","0.0006","18.7752","0.0007","92.798","0.002","93.041","0.002","92.763","0.002","2848.29","0.19","110","","110","","","","","","","","","8","P -1","-P 1","2","","","","- C26 H33 Cl N3 Ni2 O P S2 -","- C26 H33 Cl N3 Ni2 O P S2 -","- C104 H132 Cl4 N12 Ni8 O4 P4 S8 -","4","2","","Jana, Manish; Hall, Michael B.; Darensbourg, Marcetta Y.","A sulfur-templated Ni-Ni' coordination polymer that relies on a polarizable nickel nitrosyl hub.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt03174a","","x-ray","1.54178","CuKα","","0.0815","0.0677","","","0.1501","0.1573","","","","","","1.09","","","","has coordinates,has disorder","296899","2024-12-17","23:55:24",""
"7717677","6.6907","0.0013","10.312","0.002","11.929","0.002","109.49","0.03","104.54","0.03","96.73","0.03","732.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Cu4 S9 Sr3 Zr2 -","- Cu4 S9 Sr3 Zr2 -","- Cu8 S18 Sr6 Zr4 -","2","1","","Barman, Sayani; Yadav, Sweta; Ray, Akshay K.; Swati, ?; Deepa, M.; Niranjan, Manish K.; Prakash, Jai","Sr<sub>3</sub>Zr<sub>2</sub>Cu<sub>4</sub><i>Q</i><sub>9</sub> (<i>Q</i> = S and Se): two novel layered quaternary mixed transition metal chalcogenides.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02928c","","","0.71073","MoKα","","0.0578","0.0474","","","0.1177","0.1239","","","","","","1.087","","","","has coordinates","296900","2024-12-17","23:56:07",""
"7717678","6.9779","0.0014","10.685","0.002","12.302","0.003","109.18","0.03","105.38","0.03","96.56","0.03","814.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Cu3.99 Se9 Sr3 Zr2 -","- Cu3.986 Se9 Sr3 Zr2 -","- Cu7.972 Se18 Sr6 Zr4 -","2","1","","Barman, Sayani; Yadav, Sweta; Ray, Akshay K.; Swati, ?; Deepa, M.; Niranjan, Manish K.; Prakash, Jai","Sr<sub>3</sub>Zr<sub>2</sub>Cu<sub>4</sub><i>Q</i><sub>9</sub> (<i>Q</i> = S and Se): two novel layered quaternary mixed transition metal chalcogenides.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt02928c","","","0.71073","MoKα","","0.0824","0.0534","","","0.1057","0.1182","","","","","","1.022","","","","has coordinates","296900","2024-12-17","23:56:08",""
"7717679","18.1187","0.0005","18.2532","0.0005","19.0483","0.0006","90","","90","","90","","6299.7","0.3","120","0.1","120","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 B2 Br In N8 -","- C28 H40 B2 Br In N8 -","- C224 H320 B16 Br8 In8 N64 -","8","2","","Brothers, Henry R.; Chambenahalli, Raju; Nichol, Gary S.; Garden, Jennifer A.; Jenkins, David M.","Ring-opening polymerization of ε-caprolactone with a macrocyclic tetracarbene indium complex.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt03198a","","","1.54184","CuKα","","0.1048","0.0858","","","0.218","0.2362","","","","","","1.04","","","","has coordinates","296901","2024-12-17","23:56:43",""
"7717680","16.4341","0.0005","17.2956","0.0006","22.0312","0.0007","90","","90","","90","","6262.1","0.4","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H45 B2 In N8 O -","- C30 H45 B2 In N8 O -","- C240 H360 B16 In8 N64 O8 -","8","2","","Brothers, Henry R.; Chambenahalli, Raju; Nichol, Gary S.; Garden, Jennifer A.; Jenkins, David M.","Ring-opening polymerization of ε-caprolactone with a macrocyclic tetracarbene indium complex.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt03198a","","x-ray","0.71073","MoKα","","0.0209","0.0199","","","0.0494","0.0502","","","","","","1.049","","","","has coordinates","296901","2024-12-17","23:56:46",""
"7717685","11.6295","0.0002","14.5514","0.0003","15.1131","0.0003","110.462","0.002","92.463","0.002","106.895","0.002","2262.72","0.09","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H12 Ag Cl16 F6 N2 Sb -","- C36 H12 Ag Cl16 F6 N2 Sb -","- C72 H24 Ag2 Cl32 F12 N4 Sb2 -","2","1","","Mibu, Takuto; Matsuoka, Ryota; Nagasaka, Masanari; Kusamoto, Tetsuro","Emission enhancement in a luminescent polychlorinated diphenylpyridylmethyl radical through coordination to silver(I).","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt03129f","","x-ray","0.71073","MoKα","","0.0415","0.0309","","","0.0678","0.0711","","","","","","1.073","","","","has coordinates,has disorder","296903","2024-12-17","23:58:00",""