# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-10-07T23:21:09+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (year = 2024 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1569774","6.504","0.0002","23.3098","0.0008","11.7604","0.0004","90","","93.774","0.003","90","","1779.09","0.1","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H10 N2 S7 -","- C17 H10 N2 S7 -","- C68 H40 N8 S28 -","4","1","","Tomimatsu, Akihiro; Suizu, Rie; Nakazawa, Miyabi; Shirahata, Takashi; Misaki, Yohji; Kinoshita, Naoya; Awaga, Kunio","Optoelectronic conversion and polarization hysteresis in organic MISM and MISIM devices with DA-type single-component molecules.","Faraday discussions","2024","250","0","96","109","10.1039/d3fd00125c","","","0.71073","MoKα","","0.0593","0.0379","","","0.0697","0.0757","","","","","","1.047","","","","has coordinates,has disorder","290996","2024-04-04","23:53:51",""
"1570094","17.915","0.0008","22.4618","0.0009","25.0531","0.0008","90","","90","","90","","10081.4","0.7","100","2","100","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C47.25 H43.5 Cl2.5 F10 Ir N4 O4 -","- C47.262 H43.527 Cl2.5 F10 Ir N4 O4 -","- C378.096 H348.216 Cl20 F80 Ir8 N32 O32 -","8","1","","Tan, Yi Zhen; Wu, Xiangyang; Lu, Yunpeng; Chiba, Shunsuke; Yeow, Edwin K. L.","Towards catalytic redox-active iridium polypyridyl complex by in situ photosubstitution","Catalysis Science & Technology","2024","14","1","66","75","10.1039/D3CY00942D","","x-ray","0.71073","MoKα","","0.0918","0.0477","","","0.1185","0.1493","","","","","","1.066","","","","has coordinates,has disorder","289310","2024-02-04","10:57:35",""
"1570095","25.7551","0.0005","19.7204","0.0004","22.789","0.0004","90","","90","","90","","11574.6","0.4","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C53 H52 F10 Ir N5 O4 -","- C52.5 H52 F10 Ir N5 O4 -","- C420 H416 F80 Ir8 N40 O32 -","8","1","","Tan, Yi Zhen; Wu, Xiangyang; Lu, Yunpeng; Chiba, Shunsuke; Yeow, Edwin K. L.","Towards catalytic redox-active iridium polypyridyl complex by in situ photosubstitution","Catalysis Science & Technology","2024","14","1","66","75","10.1039/D3CY00942D","","x-ray","0.71073","MoKα","","0.1087","0.0851","","","0.23","0.2591","","","","","","1.115","","","","has coordinates,has disorder","289310","2024-02-04","10:57:36",""
"1570192","12.554","0.005","14.479","0.004","15.943","0.006","90","","105.032","0.014","90","","2798.8","1.7","100","","100","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 -","- C40 H34 -","- C160 H136 -","4","1","","Appiarius, Yannik; Míguez-Lago, Sandra; Puylaert, Pim; Wolf, Noah; Kumar, Sourabh; Molkenthin, Martin; Miguel, Delia; Neudecker, Tim; Juríček, Michal; Campaña, Araceli G; Staubitz, Anne","Boosting quantum yields and circularly polarized luminescence of penta- and hexahelicenes by doping with two BN-groups.","Chemical science","2024","15","2","466","476","10.1039/d3sc02685j","","","0.71073","MoKα","","0.0694","0.0498","","","0.1253","0.1399","","","","","","1.032","","","","has coordinates","289424","2024-02-04","11:33:15",""
"1570193","29.1349","0.0009","13.8389","0.0005","14.8881","0.0006","90","","92.953","0.001","90","","5994.8","0.4","100","","100","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 -","- C44 H36 -","- C352 H288 -","8","1","","Appiarius, Yannik; Míguez-Lago, Sandra; Puylaert, Pim; Wolf, Noah; Kumar, Sourabh; Molkenthin, Martin; Miguel, Delia; Neudecker, Tim; Juríček, Michal; Campaña, Araceli G; Staubitz, Anne","Boosting quantum yields and circularly polarized luminescence of penta- and hexahelicenes by doping with two BN-groups.","Chemical science","2024","15","2","466","476","10.1039/d3sc02685j","","","0.71073","MoKα","","0.0745","0.0534","","","0.1227","0.1345","","","","","","1.017","","","","has coordinates","289424","2024-02-04","11:33:15",""
"1570194","29.2871","0.0011","13.7319","0.0005","15.0245","0.0005","90","","94.365","0.002","90","","6024.8","0.4","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 B2 N2 -","- C40 H36 B2 N2 -","- C320 H288 B16 N16 -","8","1","","Appiarius, Yannik; Míguez-Lago, Sandra; Puylaert, Pim; Wolf, Noah; Kumar, Sourabh; Molkenthin, Martin; Miguel, Delia; Neudecker, Tim; Juríček, Michal; Campaña, Araceli G; Staubitz, Anne","Boosting quantum yields and circularly polarized luminescence of penta- and hexahelicenes by doping with two BN-groups.","Chemical science","2024","15","2","466","476","10.1039/d3sc02685j","","","0.71073","MoKα","","0.0719","0.0527","","","0.1349","0.1473","","","","","","1.035","","","","has coordinates","289424","2024-02-04","11:33:15",""
"1570195","17.5703","0.0006","8.2181","0.0003","20.6544","0.0008","90","","107.203","0.001","90","","2848.96","0.18","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 B2 N2 -","- C36 H34 B2 N2 -","- C144 H136 B8 N8 -","4","1","","Appiarius, Yannik; Míguez-Lago, Sandra; Puylaert, Pim; Wolf, Noah; Kumar, Sourabh; Molkenthin, Martin; Miguel, Delia; Neudecker, Tim; Juríček, Michal; Campaña, Araceli G; Staubitz, Anne","Boosting quantum yields and circularly polarized luminescence of penta- and hexahelicenes by doping with two BN-groups.","Chemical science","2024","15","2","466","476","10.1039/d3sc02685j","","","0.71073","MoKα","","0.0714","0.0508","","","0.1188","0.1283","","","","","","1.039","","","","has coordinates","289424","2024-02-04","11:33:15",""
"1570196","13.0913","0.0014","14.9897","0.0016","19.698","0.002","86.55","0.004","86.961","0.004","69.776","0.004","3618.4","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C38.5 H33 B2 Cl N4 -","- C38.5 H33 B2 Cl N4 -","- C154 H132 B8 Cl4 N16 -","4","2","","Appiarius, Yannik; Míguez-Lago, Sandra; Puylaert, Pim; Wolf, Noah; Kumar, Sourabh; Molkenthin, Martin; Miguel, Delia; Neudecker, Tim; Juríček, Michal; Campaña, Araceli G; Staubitz, Anne","Boosting quantum yields and circularly polarized luminescence of penta- and hexahelicenes by doping with two BN-groups.","Chemical science","2024","15","2","466","476","10.1039/d3sc02685j","","","0.71073","MoKα","","0.095","0.061","","","0.1369","0.1527","","","","","","1.026","","","","has coordinates","289424","2024-02-04","11:33:15",""
"1570197","21.8649","0.0009","12.8104","0.0008","22.9768","0.0011","90","","108.44","0.002","90","","6105.3","0.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 B2 Br2 N2 -","- C36 H32 B2 Br2 N2 -","- C288 H256 B16 Br16 N16 -","8","2","","Appiarius, Yannik; Míguez-Lago, Sandra; Puylaert, Pim; Wolf, Noah; Kumar, Sourabh; Molkenthin, Martin; Miguel, Delia; Neudecker, Tim; Juríček, Michal; Campaña, Araceli G; Staubitz, Anne","Boosting quantum yields and circularly polarized luminescence of penta- and hexahelicenes by doping with two BN-groups.","Chemical science","2024","15","2","466","476","10.1039/d3sc02685j","","","0.71073","MoKα","","0.0696","0.0423","","","0.0853","0.0957","","","","","","1.031","","","","has coordinates","289424","2024-02-04","11:33:15",""
"1570214","13.6447","0.0015","16.79","0.002","18.809","0.002","111.312","0.004","99.798","0.003","90.068","0.004","3946.5","0.8","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H50 Au Cl2 N3 -","- C45 H50 Au Cl2 N3 -","- C180 H200 Au4 Cl8 N12 -","4","2","","Au-Yeung, Cathay Chai; Leung, Ming-Yi; Lai, Shiu-Lun; Cheng, Shun-Cheung; Li, Lok-Kwan; Tang, Man-Chung; Kwok, Wing-Kei; Ko, Chi-Chiu; Chan, Mei-Yee; Yam, Vivian Wing-Wah","Thermally activated delayed fluorescence tetradentate ligand-containing gold(III) complexes with preferential molecular orientation and their application in organic light-emitting devices.","Materials horizons","2024","11","1","151","162","10.1039/d3mh00910f","","x-ray","0.71073","MoKα","","0.065","0.0428","","","0.0888","0.0999","","","","","","1.083","","","","has coordinates","289651","2024-02-04","12:33:33",""
"1570270","9.4947","0.0002","15.7979","0.0003","14.4936","0.0003","90","","93.65","0.002","90","","2169.58","0.08","300","0.1","300","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H42 Cl2 Cu2 N6 O15 -","- C38 H42 Cl2 Cu2 N6 O15 -","- C76 H84 Cl4 Cu4 N12 O30 -","2","1","","Haldar, Rajashi; Kumar, Ajay; Mandal, Dipankar; Shanmugam, Maheswaran","Deciphering the anisotropic energy harvesting responses of an above room temperature molecular ferroelectric copper(II) complex single crystal.","Materials horizons","2024","11","2","454","459","10.1039/d3mh01336g","","x-ray","0.71073","MoKα","","0.0451","0.0382","","","0.0905","0.0955","","","","","","1.027","","","","has coordinates","289652","2024-02-04","12:33:43",""
"1570271","9.3868","0.0002","15.5499","0.0003","14.4461","0.0002","90","","93.944","0.002","90","","2103.61","0.07","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H42 Cl2 Cu2 N6 O15 -","- C38 H42 Cl2 Cu2 N6 O15 -","- C76 H84 Cl4 Cu4 N12 O30 -","2","1","","Haldar, Rajashi; Kumar, Ajay; Mandal, Dipankar; Shanmugam, Maheswaran","Deciphering the anisotropic energy harvesting responses of an above room temperature molecular ferroelectric copper(II) complex single crystal.","Materials horizons","2024","11","2","454","459","10.1039/d3mh01336g","","x-ray","0.71073","MoKα","","0.0325","0.0285","","","0.0609","0.0629","","","","","","1.029","","","","has coordinates","289652","2024-02-04","12:33:43",""
"1570302","23.295","0.004","10.179","0.002","10.6479","0.0019","90","","97.284","0.006","90","","2504.5","0.8","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 F N4 O4 -","- C27 H33 F N4 O4 -","- C108 H132 F4 N16 O16 -","4","1","LQ5053","Chen, An; Cai, Peishan; Peng, Yayun; Guo, Minshan; Su, Yuan; Cai, Ting","The role of alkyl chain length in the melt and solution crystallization of paliperidone aliphatic prodrugs.","IUCrJ","2024","11","Pt 1","23","33","10.1107/S2052252523009582","","","0.71073","MoKα","","0.1746","0.0974","","","0.2334","0.2707","","","","","","1.109","","","","has coordinates","289698","2024-02-05","12:10:56",""
"1570303","26.953","0.011","10.08","0.004","10.753","0.004","90","","92.658","0.012","90","","2918","2","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H41 F N4 O4 -","- C31 H41 F N4 O4 -","- C124 H164 F4 N16 O16 -","4","1","","Chen, An; Cai, Peishan; Peng, Yayun; Guo, Minshan; Su, Yuan; Cai, Ting","The role of alkyl chain length in the melt and solution crystallization of paliperidone aliphatic prodrugs.","IUCrJ","2024","11","Pt 1","23","33","10.1107/S2052252523009582","","","0.71073","MoKα","","0.1921","0.0827","","","0.1807","0.2323","","","","","","1.011","","","","has coordinates","289698","2024-02-05","12:10:57",""
"1570304","31.029","0.003","9.9381","0.001","10.8384","0.0011","90","","99.374","0.003","90","","3297.6","0.6","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H49 F N4 O4 -","- C35 H49 F N4 O4 -","- C140 H196 F4 N16 O16 -","4","1","","Chen, An; Cai, Peishan; Peng, Yayun; Guo, Minshan; Su, Yuan; Cai, Ting","The role of alkyl chain length in the melt and solution crystallization of paliperidone aliphatic prodrugs.","IUCrJ","2024","11","Pt 1","23","33","10.1107/S2052252523009582","","","0.71073","MoKα","","0.1392","0.059","","","0.1112","0.1483","","","","","","1.051","","","","has coordinates","289698","2024-02-05","12:10:57",""
"1570305","34.188","0.003","9.828","0.0009","10.8068","0.0009","90","","92.992","0.003","90","","3626.1","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H57 F N4 O4 -","- C39 H57 F N4 O4 -","- C156 H228 F4 N16 O16 -","4","1","","Chen, An; Cai, Peishan; Peng, Yayun; Guo, Minshan; Su, Yuan; Cai, Ting","The role of alkyl chain length in the melt and solution crystallization of paliperidone aliphatic prodrugs.","IUCrJ","2024","11","Pt 1","23","33","10.1107/S2052252523009582","","","0.71073","MoKα","","0.1155","0.0556","","","0.1165","0.1462","","","","","","1.016","","","","has coordinates","289698","2024-02-05","12:10:57",""
"1570363","7.948","0.002","8.256","0.002","10.775","0.003","75.188","0.008","78.772","0.008","73.732","0.008","650.4","0.3","298","2","298","","","","","","","","","5","P -1","-P 1","2","","Cobaltbromide_Pyridine3_methylpyrazole","","- C10 H11 Br2 Co N3 -","- C10 H11 Br2 Co N3 -","- C20 H22 Br4 Co2 N6 -","2","1","","Kumar, Rohit; Srivastava, Ankit Kumar; Nagarasu, Palaniyappan; Madhu, Vedichi; Balaraman, Ekambaram","A general and expedient amination of alcohols catalysed by a single-site (NN)Co(ii)-bidentate complex under solventless conditions","Catalysis Science & Technology","2024","14","1","98","109","10.1039/D3CY00809F","","","0.71073","MoKα","","0.0249","0.024","","","0.0579","0.0588","","","","","","1.075","","","","has coordinates","289311","2024-02-04","10:57:44",""
"1570368","36.1","0.6","19.23","0.07","7.97","0.05","90","","90","","90","","5533","10","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","NO2-PDI","","","- C34 H29 N3 O6 -","- C34 H29 N3 O6 -","- C272 H232 N24 O48 -","8","1","","Mathew, Renny; Mazumder, Aniruddha; Kumar, Praveen; Matula, Julie; Mohamed, Sharmarke; Brazda, Petr; Hariharan, Mahesh; Thomas, Brijith","Unveiling the topology of partially disordered micro-crystalline nitro-perylenediimide with X-aggregate stacking: an integrated approach.","Chemical science","2024","15","2","490","499","10.1039/d3sc05514k","","electron","0.0251","electron","","0.3278","0.223","","","0.2168","0.2289","","","","0","0","3.9855","","","","has coordinates","289415","2024-02-04","11:31:20",""
"1570373","13.2705","0.001","21.6957","0.0016","22.113","0.0017","111.223","0.003","102.466","0.003","104.738","0.003","5394.3","0.7","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C136 H90 Cl2 N4 O16 -","- C136 H90 Cl2 N4 O16 -","- C272 H180 Cl4 N8 O32 -","2","2","","Weh, Manuel; Kroeger, Asja A.; Anhalt, Olga; Karton, Amir; Würthner, Frank","Mutual induced fit transition structure stabilization of corannulene's bowl-to-bowl inversion in a perylene bisimide cyclophane.","Chemical science","2024","15","2","609","617","10.1039/d3sc05341e","","","1.54178","CuKα","","0.0515","0.0503","","","0.1461","0.1478","","","","","","1.015","","","","has coordinates,has disorder","289413","2024-02-04","11:31:00",""
"1570384","6.95","0.0004","9.8071","0.0006","11.6221","0.0005","90.667","0.004","105.074","0.004","107.794","0.005","724.72","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 F4 O3 S -","- C15 H12 F4 O3 S -","- C30 H24 F8 O6 S2 -","2","1","","Mathuri, Ashis; Pal, Buddhadeb; Pramanik, Milan; Manna, Anupam; Mal, Prasenjit","Enhancing the photocatalytic efficiency and stability of CsPbBr3 nanocrystals for visible-light driven aerobic diaryl thio/seleno etherification","Catalysis Science & Technology","2024","14","1","183","189","10.1039/D3CY01478A","","x-ray","0.71073","MoKα","","0.0356","0.0313","","","0.0803","0.0827","","","","","","0.992","","","","has coordinates","289312","2024-02-04","10:57:51",""
"1570409","17.9065","0.0003","15.4002","0.0003","7.3943","0.0001","90","","90","","90","","2039.08","0.06","298","","298","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C40 H20 Cl4 O7 S8 -","- C40 H20 Cl4 O7 S8 -","- C80 H40 Cl8 O14 S16 -","2","0.5","","Li, Tao; Liu, Jia-Chuan; Liu, En-Ping; Liu, Bai-Tong; Wang, Jing-Yu; Liao, Pei-Yu; Jia, Jian-Hua; Feng, Yuanning; Tong, Ming-Liang","NIR-II photothermal conversion and imaging based on a cocrystal containing twisted components.","Chemical science","2024","15","5","1692","1699","10.1039/d3sc03532h","","x-ray","1.3405","GaKα","","0.0592","0.0555","","","0.1774","0.1827","","","","","","1.07","","","","has coordinates","289400","2024-02-04","11:27:17",""
"1570410","13.343","0.008","10.807","0.006","14.322","0.009","90","","111.45","0.02","90","","1922","2","201","2","201.34","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H4 Cl4 N0.25 O6 -","- C24 H6 Cl4 O6 -","- C96 H24 Cl16 O24 -","4","1","","Li, Tao; Liu, Jia-Chuan; Liu, En-Ping; Liu, Bai-Tong; Wang, Jing-Yu; Liao, Pei-Yu; Jia, Jian-Hua; Feng, Yuanning; Tong, Ming-Liang","NIR-II photothermal conversion and imaging based on a cocrystal containing twisted components.","Chemical science","2024","15","5","1692","1699","10.1039/d3sc03532h","","","0.71073","MoKα","","0.0409","0.0325","","","0.0843","0.0889","","","","","","1.018","","","","has coordinates","289400","2024-02-04","11:27:17",""
"1570411","15.37851","0.00009","22.32456","0.00014","7.70669","0.00005","90","","91.6555","0.0005","90","","2644.74","0.03","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Br2 N2 O4 S2 -","- C28 H24 Br2 N2 O4 S2 -","- C112 H96 Br8 N8 O16 S8 -","4","1","","Zhao, Lingli; Cao, Yanyan; Qin, Hanwen; He, Xi; Zhao, Zhiyuan; Guo, Yunlong; Chen, Huajie","Synthesis and charge-transport properties of novel π-conjugated polymers incorporating core-extended naphtho[2,1-b:3,4-b′]dithiophene diimides","Polymer Chemistry","2024","15","2","59","70","10.1039/D3PY01186K","","x-ray","1.54184","CuKα","","0.0286","0.0271","","","0.0722","0.0732","","","","","","1.041","","","","has coordinates,has disorder","289649","2024-02-04","12:33:07",""
"1570412","10.0726","0.0003","14.3581","0.0004","15.3628","0.0004","109.639","0.003","95.666","0.002","108.274","0.003","1934.6","0.11","125","","125","","","","","","","","","4","P -1","-P 1","2","","","","- C52 H40 N4 O2 -","- C52 H40 N4 O2 -","- C104 H80 N8 O4 -","2","1","","Sudhakar, Pagidi; Gupta, Abhishek Kumar; Cordes, David B.; Zysman-Colman, Eli","Thermally activated delayed fluorescence emitters showing wide-range near-infrared piezochromism and their use in deep-red OLEDs.","Chemical science","2024","15","2","545","554","10.1039/d3sc05188a","","x-ray","1.54184","CuKα","","0.0494","0.0416","","","0.1114","0.1179","","","","","","1.051","","","","has coordinates","289420","2024-02-04","11:32:01",""
"1570413","5.9658","0.0002","17.8685","0.0007","25.1599","0.001","76.932","0.004","86.233","0.003","86.248","0.003","2603.41","0.17","125","","125","","","","","","","","","4","P -1","-P 1","2","","","","- C64 H64 N4 O2 -","- C64 H64 N4 O2 -","- C128 H128 N8 O4 -","2","1","","Sudhakar, Pagidi; Gupta, Abhishek Kumar; Cordes, David B.; Zysman-Colman, Eli","Thermally activated delayed fluorescence emitters showing wide-range near-infrared piezochromism and their use in deep-red OLEDs.","Chemical science","2024","15","2","545","554","10.1039/d3sc05188a","","x-ray","1.54184","CuKα","","0.1192","0.0604","","","0.1358","0.1678","","","","","","1.016","","","","has coordinates,has disorder","289420","2024-02-04","11:32:01",""
"1570414","7.1815","0.0003","17.3109","0.0007","46.2197","0.0017","90","","90","","90","","5746","0.4","173.01","0.1","173.01","0.1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C33 H22 F7 N3 O2 -","- C33 H22 F7 N3 O2 -","- C264 H176 F56 N24 O16 -","8","1","","Cheng, Qiuhong; Hao, Aiyou; Xing, Pengyao","Selective chiral dimerization and folding driven by arene-perfluoroarene force.","Chemical science","2024","15","2","618","628","10.1039/d3sc05212e","","x-ray","1.54184","CuKα","","0.0634","0.0522","","","0.1467","0.1567","","","","","","0.857","","","","has coordinates","289414","2024-02-04","11:31:13",""
"1570415","8.3043","0.0002","8.691","0.0002","20.6746","0.0004","80.978","0.002","81.965","0.002","67.556","0.003","1356.82","0.06","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C33 H22 F7 N3 O2 -","- C33 H22 F7 N3 O2 -","- C66 H44 F14 N6 O4 -","2","1","","Cheng, Qiuhong; Hao, Aiyou; Xing, Pengyao","Selective chiral dimerization and folding driven by arene-perfluoroarene force.","Chemical science","2024","15","2","618","628","10.1039/d3sc05212e","","x-ray","1.54184","CuKα","","0.0677","0.0574","","","0.1627","0.1729","","","","","","1.072","","","","has coordinates","289414","2024-02-04","11:31:13",""
"1570416","17.8394","0.0003","8.2183","0.0002","22.8962","0.0005","90","","102.884","0.002","90","","3272.29","0.12","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C79 H64 F14 N6 O4 -","- C79 H64 F14 N6 O4 -","- C158 H128 F28 N12 O8 -","2","1","","Cheng, Qiuhong; Hao, Aiyou; Xing, Pengyao","Selective chiral dimerization and folding driven by arene-perfluoroarene force.","Chemical science","2024","15","2","618","628","10.1039/d3sc05212e","","x-ray","1.54184","CuKα","","0.1279","0.1107","","","0.2864","0.299","","","","","","1.064","","","","has coordinates","289414","2024-02-04","11:31:13",""
"1570417","22.8294","0.0003","9.4458","0.0001","31.1842","0.0005","90","","90.301","0.002","90","","6724.53","0.16","173","0.1","173","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C73 H57 Cl3 F14 N6 O4 -","- C73 H57 Cl3 F14 N6 O4 -","- C292 H228 Cl12 F56 N24 O16 -","4","1","","Cheng, Qiuhong; Hao, Aiyou; Xing, Pengyao","Selective chiral dimerization and folding driven by arene-perfluoroarene force.","Chemical science","2024","15","2","618","628","10.1039/d3sc05212e","","x-ray","1.54184","CuKα","","0.1445","0.1282","","","0.3922","0.4079","","","","","","1.708","","","","has coordinates","289414","2024-02-04","11:31:13",""
"1570418","8.6927","0.0009","29.467","0.003","11.3135","0.0012","90","","112.393","0.003","90","","2679.4","0.5","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C61 H80 O13 -","- C61 H80 O13 -","- C122 H160 O26 -","2","1","","He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin","Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers.","Chemical science","2024","15","4","1260","1270","10.1039/d3sc05233h","","","1.54178","CuKα","","0.043","0.0428","","","0.1162","0.1165","","","","","","1.015","","","","has coordinates","289410","2024-02-04","11:30:35",""
"1570419","8.7346","0.0003","9.9202","0.0003","28.6562","0.0008","90","","90","","90","","2483.03","0.13","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 O4 -","- C30 H34 O4 -","- C120 H136 O16 -","4","1","","He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin","Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers.","Chemical science","2024","15","4","1260","1270","10.1039/d3sc05233h","","","1.54178","CuKα","","0.0514","0.0511","","","0.1454","0.1463","","","","","","1.085","","","","has coordinates","289410","2024-02-04","11:30:35",""
"1570420","8.8971","0.0002","15.2326","0.0003","18.8392","0.0003","90","","90","","90","","2553.2","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 O4 -","- C30 H38 O4 -","- C120 H152 O16 -","4","1","","He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin","Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers.","Chemical science","2024","15","4","1260","1270","10.1039/d3sc05233h","","","1.54178","CuKα","","0.0345","0.0344","","","0.0889","0.089","","","","","","1.068","","","","has coordinates","289410","2024-02-04","11:30:35",""
"1570421","8.7065","0.0002","13.1797","0.0002","22.9727","0.0004","90","","90","","90","","2636.1","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H40 O5 -","- C30 H40 O5 -","- C120 H160 O20 -","4","1","","He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin","Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers.","Chemical science","2024","15","4","1260","1270","10.1039/d3sc05233h","","","1.54178","CuKα","","0.0318","0.0307","","","0.0794","0.0806","","","","","","1.048","","","","has coordinates","289410","2024-02-04","11:30:35",""
"1570422","8.6842","0.0002","15.4286","0.0003","19.2929","0.0004","90","","90","","90","","2584.96","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H40 O4 -","- C30 H40 O4 -","- C120 H160 O16 -","4","1","","He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin","Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers.","Chemical science","2024","15","4","1260","1270","10.1039/d3sc05233h","","","1.54178","CuKα","","0.044","0.0438","","","0.1145","0.1147","","","","","","1.045","","","","has coordinates","289410","2024-02-04","11:30:35",""
"1570423","8.733","0.0005","9.9169","0.0006","28.6719","0.0017","90","","90","","90","","2483.1","0.3","101","2","101","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 O4 -","- C30 H34 O4 -","- C120 H136 O16 -","4","1","","He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin","Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers.","Chemical science","2024","15","4","1260","1270","10.1039/d3sc05233h","","","1.54178","CuKα","","0.0396","0.0376","","","0.0978","0.0997","","","","","","1.043","","","","has coordinates","289410","2024-02-04","11:30:36",""
"1570424","8.2056","0.0002","9.4771","0.0002","16.4429","0.0003","90","","90","","90","","1278.69","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O -","- C15 H22 O -","- C60 H88 O4 -","4","1","","He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin","Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers.","Chemical science","2024","15","4","1260","1270","10.1039/d3sc05233h","","","1.54178","CuKα","","0.0312","0.0302","","","0.0802","0.0813","","","","","","1.101","","","","has coordinates","289410","2024-02-04","11:30:36",""
"1570425","8.2085","0.0003","9.4732","0.0003","16.4463","0.0006","90","","90","","90","","1278.88","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O -","- C15 H22 O -","- C60 H88 O4 -","4","1","","He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin","Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers.","Chemical science","2024","15","4","1260","1270","10.1039/d3sc05233h","","","1.54178","CuKα","","0.0309","0.0306","","","0.0789","0.0791","","","","","","1.061","","","","has coordinates","289410","2024-02-04","11:30:36",""
"1570432","9.611","0.002","15.13","0.003","21.533","0.005","91.969","0.008","96.72","0.009","101.57","0.009","3041.1","1.1","170","","170","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H85.6 F12 Mg N14 O8 S4 -","- C34 H85.6 F12 Mg N14 O8 S4 -","- C68 H171.2 F24 Mg2 N28 O16 S8 -","2","1","","Wang, Min; Sun, Wenhao; Zhang, Kun; Zhang, Zhonghua; Du, Aobing; Dong, Shanmu; Zhang, Jinlei; Liu, Jing; Chen, Xi; Zhou, Zhenfang; Li, Fujun; Li, Zhenjiang; Li, Guicun; Cui, Guanglei","Synergy between the coordination and trace ionization of co-solvents enables reversible magnesium electroplating/stripping behavior","Energy & Environmental Science","2024","17","2","630","641","10.1039/D3EE02450D","","","0.71073","MoKα","","0.1099","0.064","","","0.1495","0.1746","","","","","","1.042","","","","has coordinates,has disorder","289562","2024-02-04","12:15:58",""
"1570433","5.5541","0.0004","6.6179","0.0011","6.964","0.003","90","","103.835","0.019","90","","248.55","0.12","295","2","295","2","","","3300000","","","","","3","P 1 21/c 1","-P 2ybc","14","","dimethyl ether","","- C2 H6 O -","- C2 H6 O -","- C8 H24 O4 -","4","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0776","0.0708","","","0.1861","0.1927","","","","","","1.204","","","","has coordinates","289697","2024-02-05","12:10:00",""
"1570434","5.5277","0.0004","6.527","0.01","6.8941","0.0005","90","","103.869","0.006","90","","241.5","0.4","295","2","295","2","","","3900000","","","","","3","P 1 21/c 1","-P 2ybc","14","","dimethyl ether","","- C2 H6 O -","- C2 H6 O -","- C8 H24 O4 -","4","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0728","0.069","","","0.1661","0.1724","","","","","","1.192","","","","has coordinates","289697","2024-02-05","12:10:09",""
"1570435","5.5073","0.0004","6.493","0.005","6.8431","0.0008","90","","103.848","0.008","90","","237.59","0.19","295","2","295","2","","","4300000","","","","","3","P 1 21/c 1","-P 2ybc","14","","dimethyl ether","","- C2 H6 O -","- C2 H6 O -","- C8 H24 O4 -","4","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0566","0.0525","","","0.1326","0.1399","","","","","","1.181","","","","has coordinates","289697","2024-02-05","12:10:16",""
"1570436","4.3394","0.0012","8.414","0.002","12.821","0.006","90.55","0.04","93.89","0.06","90.83","0.02","467","0.3","295","2","295","2","","","4500000","","","","","3","P -1","-P 1","2","","dimethyl ether","","- C2 H6 O -","- C2 H6 O -","- C16 H48 O8 -","8","4","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0628","0.0554","","","0.1474","0.1553","","","","","","1.131","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570437","4.2888","0.0017","8.3045","0.0018","12.7912","0.0013","90.249","0.012","93.92","0.02","90.14","0.03","454.5","0.2","295","2","295","2","","","5600000","","","","","3","P -1","-P 1","2","","dimethyl ether","","- C2 H6 O -","- C2 H6 O -","- C16 H48 O8 -","8","4","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.1296","0.1173","","","0.2518","0.2604","","","","","","1.135","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570438","4.25","0.004","8.198","0.003","12.6105","0.0019","90.641","0.019","93.97","0.03","90.04","0.05","438.3","0.4","295","2","295","2","","","7300000","","","","","3","P -1","-P 1","2","","dimethyl ether","","- C2 H6 O -","- C2 H6 O -","- C16 H48 O8 -","8","4","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.1062","0.0793","","","0.1688","0.1868","","","","","","1.055","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570439","6.8268","0.0003","8.1428","0.0017","7.7731","0.0003","90","","93.443","0.004","90","","431.32","0.09","295","2","295","2","","","1850000","","","","","3","P 1 21/c 1","-P 2ybc","14","","diethyl ether","","- C4 H10 O -","- C4 H10 O -","- C16 H40 O4 -","4","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0403","0.0353","","","0.095","0.0988","","","","","","1.121","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570440","6.7948","0.0003","8.0952","0.0012","7.7259","0.0002","90","","93.621","0.003","90","","424.12","0.07","295","2","295","2","","","2150000","","","","","3","P 1 21/c 1","-P 2ybc","14","","diethyl ether","","- C4 H10 O -","- C4 H10 O -","- C16 H40 O4 -","4","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0367","0.0327","","","0.0883","0.0928","","","","","","1.168","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570441","6.7759","0.0003","8.0552","0.0014","7.6873","0.0002","90","","93.713","0.003","90","","418.7","0.08","295","2","295","2","","","2450000","","","","","3","P 1 21/c 1","-P 2ybc","14","","diethyl ether","","- C4 H10 O -","- C4 H10 O -","- C16 H40 O4 -","4","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0421","0.039","","","0.1069","0.111","","","","","","1.138","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570442","6.7612","0.0003","8.0271","0.0015","7.6687","0.0003","90","","93.784","0.004","90","","415.29","0.08","295","2","295","2","","","2650000","","","","","3","P 1 21/c 1","-P 2ybc","14","","diethyl ether","","- C4 H10 O -","- C4 H10 O -","- C16 H40 O4 -","4","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0423","0.0388","","","0.1073","0.111","","","","","","1.088","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570443","7.7073","0.0012","4.0885","0.0004","13.233","0.002","90","","93.793","0.016","90","","416.08","0.1","295","2","295","2","","","2650000","","","","","3","I 1 2/a 1","-I 2ya","15","","diethyl ether","","- C4 H10 O -","- C4 H10 O -","- C16 H40 O4 -","4","0.5","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0417","0.0371","","","0.1052","0.1085","","","","","","1.13","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570444","5.1196","0.0004","5.6659","0.001","7.2999","0.0004","97.275","0.008","102.728","0.006","96.747","0.01","202.56","0.04","295","2","295","2","","","2800000","","","","","3","P -1","-P 1","2","","diethyl ether","","- C4 H10 O -","- C4 H10 O -","- C8 H20 O2 -","2","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0419","0.0388","","","0.098","0.1","","","","","","1.179","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570445","5.0809","0.0005","5.6329","0.001","7.2451","0.001","97.382","0.013","102.749","0.01","97.002","0.011","198.13","0.05","295","2","295","2","","","3450000","","","","","3","P -1","-P 1","2","","diethyl ether","","- C4 H10 O -","- C4 H10 O -","- C8 H20 O2 -","2","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.1071","0.1011","","","0.338","0.3608","","","","","","1.788","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570446","5.072","0.003","5.629","0.002","7.215","0.005","97.43","0.05","102.91","0.06","97.15","0.05","196.6","0.2","295","2","295","2","","","3700000","","","","","3","P -1","-P 1","2","","diethyl ether","","- C4 H10 O -","- C4 H10 O -","- C8 H20 O2 -","2","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0553","0.0489","","","0.1344","0.1407","","","","","","1.166","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570447","5.0182","0.0019","5.575","0.003","7.136","0.003","97.36","0.04","102.81","0.03","97.72","0.04","190.31","0.15","295","2","295","2","","","4900000","","","","","3","P -1","-P 1","2","","diethyl ether","","- C4 H10 O -","- C4 H10 O -","- C8 H20 O2 -","2","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0739","0.061","","","0.1665","0.1816","","","","","","1.086","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570448","9.416","0.004","4.1817","0.0003","15.579","0.007","90","","101.23","0.05","90","","601.7","0.4","295","2","295","2","","","1700000","","","","","3","P 1 21/c 1","-P 2ybc","14","","dipropyl ether","","- C6 H14 O -","- C6 H14 O -","- C24 H56 O4 -","4","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0661","0.0455","","","0.1296","0.1513","","","","","","1.077","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570449","9.368","0.008","4.1229","0.0004","15.434","0.004","90","","100.84","0.06","90","","585.5","0.5","295","2","295","2","","","2100000","","","","","3","P 1 21/c 1","-P 2ybc","14","","dipropyl ether","","- C6 H14 O -","- C6 H14 O -","- C24 H56 O4 -","4","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0723","0.0524","","","0.1255","0.1416","","","","","","1.053","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570450","9.293","0.007","4.0686","0.0002","15.1855","0.001","90","","100.35","0.03","90","","564.8","0.4","295","2","295","2","","","2800000","","","","","3","P 1 21/c 1","-P 2ybc","14","","dipropyl ether","","- C6 H14 O -","- C6 H14 O -","- C24 H56 O4 -","4","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0591","0.0456","","","0.1256","0.1447","","","","","","1.082","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570451","9.198","0.009","4.0064","0.0003","14.9459","0.0015","90","","99.54","0.04","90","","543.2","0.5","295","2","295","2","","","3850000","","","","","3","P 1 21/c 1","-P 2ybc","14","","dipropyl ether","","- C6 H14 O -","- C6 H14 O -","- C24 H56 O4 -","4","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0424","0.0308","","","0.081","0.09","","","","","","1.111","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570452","9.099","0.012","3.9465","0.0003","14.649","0.008","90","","98.32","0.1","90","","520.5","0.8","295","2","295","2","","","5300000","","","","","3","P 1 21/c 1","-P 2ybc","14","","dipropyl ether","","- C6 H14 O -","- C6 H14 O -","- C24 H56 O4 -","4","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0666","0.0469","","","0.1081","0.1229","","","","","","1.06","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570453","6.10213","0.00005","7.30975","0.00006","29.70773","0.00019","92.3183","0.0006","93.944","0.0006","114.298","0.0008","1201.43","0.018","180","2","180","2","","","","","","","","4","P 1","P 1","1","","","","- C54 H74 N2 O8 -","- C54 H74 N2 O8 -","- C54 H74 N2 O8 -","1","1","","Zhang, Fan; Wang, Su-Jing; Xiao, Wen; Yu, Ming-Zhu; Sha, Feng; Wu, Ruibo; Xiang, Zheng","Harnessing the catalytic plasticity of the ent-kaurene synthase from Bradyrhizobium japonicum to produce the ent-rosane and ent-pimarane scaffolds","Catalysis Science & Technology","2024","14","2","306","314","10.1039/D3CY00115F","","","1.54184","CuKα","","0.0326","0.0322","","","0.0887","0.0891","","","","","","1.082","","","","has coordinates","289314","2024-02-04","10:58:31",""
"1570470","9.5342","0.0009","6.5619","0.0004","9.7191","0.001","90","","115.851","0.012","90","","547.2","0.1","179.99","0.1","179.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 O4 -","- C5 H6 O4 -","- C20 H24 O16 -","4","1","","Zhou, Tong; Guo, Yu-Ting; Yang, Chun; Meng, Xian-Bin; Du, Fu-Sheng; Li, Zi-Chen","High-Tg PLA copolymers via base-catalyzed transesterification of PLA with 2,5,7-trioxabicyclo[2.2.2]octan-6-one","Polymer Chemistry","2024","15","3","156","165","10.1039/D3PY01250F","","x-ray","0.71073","MoKα","","0.0807","0.0634","","","0.153","0.1626","","","","","","1.024","","","","has coordinates,has disorder","289650","2024-02-04","12:33:16",""
"1570471","6.6336","0.0003","10.5499","0.0006","18.8351","0.0015","90","","90","","90","","1318.15","0.14","180","0.1","180","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C48 H64 O32 -","8","1","","Zhou, Tong; Guo, Yu-Ting; Yang, Chun; Meng, Xian-Bin; Du, Fu-Sheng; Li, Zi-Chen","High-Tg PLA copolymers via base-catalyzed transesterification of PLA with 2,5,7-trioxabicyclo[2.2.2]octan-6-one","Polymer Chemistry","2024","15","3","156","165","10.1039/D3PY01250F","","x-ray","0.71073","MoKα","","0.0597","0.0426","","","0.1085","0.1181","","","","","","1.025","","","","has coordinates","289650","2024-02-04","12:33:16",""
"1570472","6.6147","0.0001","8.8811","0.0002","11.0758","0.0002","90","","90","","90","","650.66","0.02","100","0.11","100","0.11","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C24 H32 O16 -","4","1","","Zhou, Tong; Guo, Yu-Ting; Yang, Chun; Meng, Xian-Bin; Du, Fu-Sheng; Li, Zi-Chen","High-Tg PLA copolymers via base-catalyzed transesterification of PLA with 2,5,7-trioxabicyclo[2.2.2]octan-6-one","Polymer Chemistry","2024","15","3","156","165","10.1039/D3PY01250F","","x-ray","1.54184","CuKα","","0.0271","0.0254","","","0.0606","0.0613","","","","","","1.038","","","","has coordinates","289650","2024-02-04","12:33:16",""
"1570473","11.1805","0.0001","9.2464","0.0001","11.1482","0.0001","90","","105.801","0.001","90","","1108.94","0.019","169.99","0.1","169.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 O5 -","- C12 H14 O5 -","- C48 H56 O20 -","4","1","","Zhou, Tong; Guo, Yu-Ting; Yang, Chun; Meng, Xian-Bin; Du, Fu-Sheng; Li, Zi-Chen","High-Tg PLA copolymers via base-catalyzed transesterification of PLA with 2,5,7-trioxabicyclo[2.2.2]octan-6-one","Polymer Chemistry","2024","15","3","156","165","10.1039/D3PY01250F","","x-ray","1.54184","CuKα","","0.0341","0.0336","","","0.0867","0.0869","","","","","","1.104","","","","has coordinates","289650","2024-02-04","12:33:16",""
"1570474","11.7418","0.0001","34.0977","0.0004","8.4778","0.0001","90","","90","","90","","3394.24","0.06","170.01","0.1","170.01","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C17 H20 O9 -","- C17 H20 O9 -","- C136 H160 O72 -","8","2","","Zhou, Tong; Guo, Yu-Ting; Yang, Chun; Meng, Xian-Bin; Du, Fu-Sheng; Li, Zi-Chen","High-Tg PLA copolymers via base-catalyzed transesterification of PLA with 2,5,7-trioxabicyclo[2.2.2]octan-6-one","Polymer Chemistry","2024","15","3","156","165","10.1039/D3PY01250F","","x-ray","1.54184","CuKα","","0.0377","0.0366","","","0.1007","0.1018","","","","","","1.027","","","","has coordinates","289650","2024-02-04","12:33:16",""
"1570475","19.1884","0.0005","10.6212","0.0003","20.1144","0.0005","90","","107.614","0.001","90","","3907.2","0.18","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H44 Cl N2 Pd -","- C47 H44 Cl N2 Pd -","- C188 H176 Cl4 N8 Pd4 -","4","1","","Liu, Yue; Yang, Gang; Li, Chao; Tan, Chen; Chen, Min","Ligand pre-inserted α-diimine palladium catalysts and mechanism studies in olefin polymerization","Polymer Chemistry","2024","15","1","40","45","10.1039/D3PY01011B","","","0.71073","MoKα","","0.0662","0.0596","","","0.1702","0.1758","","","","","","1.062","","","","has coordinates,has disorder","289645","2024-02-04","12:32:34",""
"1570476","15.119","0.003","15.12","0.003","24.857","0.005","90","","103.91","0.03","90","","5516","2","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H35 Cl N2 Pd -","- C26 H35 Cl N2 Pd -","- C208 H280 Cl8 N16 Pd8 -","8","4","","Liu, Yue; Yang, Gang; Li, Chao; Tan, Chen; Chen, Min","Ligand pre-inserted α-diimine palladium catalysts and mechanism studies in olefin polymerization","Polymer Chemistry","2024","15","1","40","45","10.1039/D3PY01011B","","","0.71073","MoKα","","0.136","0.1223","","","0.3","0.3147","","","","","","1.3","","","","has coordinates","289645","2024-02-04","12:32:34",""
"1570477","10.034","0.0003","19.1514","0.0007","20.3631","0.0006","100.585","0.001","95.043","0.001","104.58","0.001","3685.4","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C81 H60 B F24 N3 Pd -","- C81 H60 B F24 N3 Pd -","- C162 H120 B2 F48 N6 Pd2 -","2","1","","Liu, Yue; Yang, Gang; Li, Chao; Tan, Chen; Chen, Min","Ligand pre-inserted α-diimine palladium catalysts and mechanism studies in olefin polymerization","Polymer Chemistry","2024","15","1","40","45","10.1039/D3PY01011B","","","0.71073","MoKα","","0.0679","0.0553","","","0.1375","0.1478","","","","","","1.05","","","","has coordinates,has disorder","289645","2024-02-04","12:32:34",""
"1570480","14.8596","0.0003","25.1992","0.0004","18.793","0.0005","90","","108.689","0.003","90","","6666","0.3","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H144 Fe3 K4 N8 O24 Sn18 -","- C72 H144 Fe3 K4 N8 O24 Sn18 -","- C144 H288 Fe6 K8 N16 O48 Sn36 -","2","0.5","","Li, Zi-Sheng; Chen, Wei-Xing; Morgan, Harry W. T.; Shu, Cong-Cong; McGrady, John E.; Sun, Zhong-Ming","Snap-shots of cluster growth: structure and properties of a Zintl ion with an Fe<sub>3</sub> core, [Fe<sub>3</sub>Sn<sub>18</sub>]<sup>4</sup>.","Chemical science","2024","15","3","1018","1026","10.1039/d3sc04709a","","x-ray","1.54184","CuKα","","0.0523","0.0428","","","0.1069","0.1116","","","","","","1.025","","","","has coordinates","289426","2024-02-04","11:33:40",""
"1570481","13.02736","0.00013","7.6261","0.00007","13.31312","0.00013","90","","97.9813","0.0009","90","","1309.82","0.02","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H33 N O4 -","- C32 H33 N O4 -","- C64 H66 N2 O8 -","2","1","","Han, Zhengyu; Zhu, Biao; Zang, Yu; Zhang, Chaoshen; Dong, Xiu-Qin; Huang, Hai; Sun, Jianwei","Primary activation of <i>para</i>-quinone methides by chiral phosphoric acid for enantioselective construction of tetraarylmethanes.","Chemical science","2024","15","2","720","725","10.1039/d3sc05014a","","x-ray","1.54184","CuKα","","0.0256","0.0247","","","0.0647","0.0652","","","","","","1.032","","","","has coordinates","289416","2024-02-04","11:31:26",""
"1570482","9.406","0.0002","11.1167","0.0002","15.5637","0.0003","75.81","0.002","72.977","0.002","66.135","0.002","1408.04","0.05","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H25 Al F6 N2 O6 S2 -","- C23 H25 Al F6 N2 O6 S2 -","- C46 H50 Al2 F12 N4 O12 S4 -","2","1","","Dissanayake, Deepamali; Draper, Alysia; Liu, Zhizhou; Jaunnoo, Neelofur; Haven, Joris J.; Forsyth, Craig; McKay, Alasdair I.; Junkers, Tanja; Vidović, Dragoslav","Lewis acid catalysed polymerisation of cyclopentenone.","Chemical science","2024","15","2","639","643","10.1039/d3sc05186b","","","1.54184","CuKα","","0.0455","0.0396","","","0.1015","0.1059","","","","","","1.05","","","","has coordinates","289422","2024-02-04","11:32:23",""
"1570483","20.7709","0.0003","10.3593","0.0001","13.0575","0.0002","90","","118.364","0.002","90","","2472.31","0.07","273","2","273","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19 H17 Al F6 N2 O6 S2 -","- C19 H17 Al F6 N2 O6 S2 -","- C76 H68 Al4 F24 N8 O24 S8 -","4","0.5","","Dissanayake, Deepamali; Draper, Alysia; Liu, Zhizhou; Jaunnoo, Neelofur; Haven, Joris J.; Forsyth, Craig; McKay, Alasdair I.; Junkers, Tanja; Vidović, Dragoslav","Lewis acid catalysed polymerisation of cyclopentenone.","Chemical science","2024","15","2","639","643","10.1039/d3sc05186b","","","1.54178","CuKα","","0.0449","0.0416","","","0.12","0.1235","","","","","","1.09","","","","has coordinates,has disorder","289422","2024-02-04","11:32:23",""
"1570484","6.2994","0.0001","22.3513","0.0004","14.5043","0.0002","90","","90.524","0.001","90","","2042.12","0.06","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H42 Al2 Cl4 N4 -","- C41 H42 Al2 Cl4 N4 -","- C82 H84 Al4 Cl8 N8 -","2","0.5","","Dissanayake, Deepamali; Draper, Alysia; Liu, Zhizhou; Jaunnoo, Neelofur; Haven, Joris J.; Forsyth, Craig; McKay, Alasdair I.; Junkers, Tanja; Vidović, Dragoslav","Lewis acid catalysed polymerisation of cyclopentenone.","Chemical science","2024","15","2","639","643","10.1039/d3sc05186b","","","1.54184","CuKα","","0.0517","0.0483","","","0.1346","0.1383","","","","","","1.071","","","","has coordinates,has disorder","289422","2024-02-04","11:32:23",""
"1570485","19.8087","0.0001","19.8087","0.0001","28.7268","0.0002","90","","90","","120","","9761.8","0.1","100","0.1","100","0.1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C96 H90 Fe6 In13 N12 O42 -","- C96 H90 Fe6 In13 N12 O42 -","- C288 H270 Fe18 In39 N36 O126 -","3","0.166667","","Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian","Aggregate assembly of ferrocene functionalized indium-oxo clusters.","Chemical science","2024","15","2","726","735","10.1039/d3sc05824g","","x-ray","1.3405","GaKα","","0.0676","0.0628","","","0.1894","0.1921","","","","","","1.117","","","","has coordinates","289423","2024-02-04","11:32:58",""
"1570486","19.6313","0.0008","22.929","0.0006","13.3713","0.0004","90","","95.854","0.003","90","","5987.4","0.3","99.99","0.1","99.99","0.1","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C68 H56 Cl2 Fe4 In13 N8 O38 -","- C68 H56 Cl2 Fe4 In13 N8 O38 -","- C136 H112 Cl4 Fe8 In26 N16 O76 -","2","0.25","","Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian","Aggregate assembly of ferrocene functionalized indium-oxo clusters.","Chemical science","2024","15","2","726","735","10.1039/d3sc05824g","","x-ray","1.3405","GaKα","","0.0539","0.0483","","","0.1318","0.1356","","","","","","1.05","","","","has coordinates","289423","2024-02-04","11:32:58",""
"1570487","21.2041","0.0003","25.0454","0.0003","13.8544","0.0002","90","","103.783","0.0015","90","","7145.74","0.17","179.97","0.1","179.97","0.1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C106 H86 Fe6 In13 O52 -","- C106 H86 Fe6 In13 O52 -","- C212 H172 Fe12 In26 O104 -","2","0.25","","Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian","Aggregate assembly of ferrocene functionalized indium-oxo clusters.","Chemical science","2024","15","2","726","735","10.1039/d3sc05824g","","x-ray","1.3405","Gakα","","0.0642","0.0576","","","0.1622","0.169","","","","","","1.062","","","","has coordinates,has disorder","289423","2024-02-04","11:32:58",""
"1570488","32.0443","0.0007","14.9493","0.0003","28.0793","0.0007","90","","94.153","0.002","90","","13415.8","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H78 Fe6 In13 O48 -","- C78 H78 Fe6 In13 O48 -","- C312 H312 Fe24 In52 O192 -","4","0.5","","Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian","Aggregate assembly of ferrocene functionalized indium-oxo clusters.","Chemical science","2024","15","2","726","735","10.1039/d3sc05824g","","x-ray","1.3405","GaKα","","0.0611","0.0457","","","0.1321","0.1396","","","","","","1.077","","","","has coordinates","289423","2024-02-04","11:32:58",""
"1570489","16.1506","0.0001","16.1506","0.0001","65.6859","0.0003","90","","90","","120","","14838.2","0.15","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C95 H66 Cl3 Fe6 In7 O28 P -","- C95 H65.9997 Cl3 Fe6 In7 O28 P -","- C570 H395.998 Cl18 Fe36 In42 O168 P6 -","6","0.333333","","Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian","Aggregate assembly of ferrocene functionalized indium-oxo clusters.","Chemical science","2024","15","2","726","735","10.1039/d3sc05824g","","x-ray","1.3405","GaKα","","0.0259","0.0241","","","0.0693","0.0701","","","","","","1.062","","","","has coordinates,has disorder","289423","2024-02-04","11:32:58",""
"1570490","35.1846","0.0004","35.1846","0.0004","15.853","0.0004","90","","90","","90","","19625.3","0.6","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C304 H216 Fe24 In28 N8 O116 -","- C304 H224 Fe24 In28 N8 O116 -","- C608 H448 Fe48 In56 N16 O232 -","2","0.25","","Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian","Aggregate assembly of ferrocene functionalized indium-oxo clusters.","Chemical science","2024","15","2","726","735","10.1039/d3sc05824g","","x-ray","1.3405","GaKα","","0.1105","0.0644","","","0.1758","0.2001","","","","","","1.013","","","","has coordinates","289423","2024-02-04","11:32:58",""
"1570491","25.3175","0.0003","25.3175","0.0003","29.8382","0.0004","90","","90","","120","","16563.2","0.4","100.01","0.1","100.01","0.1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C88 H84 Fe6 In7 N6 O28 -","- C88 H83.3637 Fe6 In7 N6 O28 -","- C528 H500.182 Fe36 In42 N36 O168 -","6","0.333333","","Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian","Aggregate assembly of ferrocene functionalized indium-oxo clusters.","Chemical science","2024","15","2","726","735","10.1039/d3sc05824g","","x-ray","1.3405","GaKα","","0.0472","0.045","","","0.1279","0.1297","","","","","","1.044","","","","has coordinates,has disorder","289423","2024-02-04","11:32:58",""
"1570492","27.37206","0.00019","15.00755","0.00012","31.8968","0.0003","90","","94.0511","0.0007","90","","13070.1","0.19","100.01","0.1","100.01","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C92 H96 Fe6 In13 N6 O46 -","- C92 H96 Fe6 In13 N6 O46 -","- C368 H384 Fe24 In52 N24 O184 -","4","0.5","","Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian","Aggregate assembly of ferrocene functionalized indium-oxo clusters.","Chemical science","2024","15","2","726","735","10.1039/d3sc05824g","","x-ray","1.3405","GaKα","","0.0685","0.0641","","","0.1829","0.1872","","","","","","1.082","","","","has coordinates","289423","2024-02-04","11:32:58",""
"1570493","15.4037","0.0002","20.7536","0.0003","25.173","0.0003","90","","93.511","0.001","90","","8032.26","0.18","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C120 H84 Fe12 In12 O60 -","- C120 H84 Fe12 In12 O60 -","- C240 H168 Fe24 In24 O120 -","2","0.5","","Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian","Aggregate assembly of ferrocene functionalized indium-oxo clusters.","Chemical science","2024","15","2","726","735","10.1039/d3sc05824g","","x-ray","0.71073","GaKα","","0.2289","0.212","","","0.5627","0.5776","","","","","","2.714","","","","has coordinates","289423","2024-02-04","11:32:58",""
"1570494","18.7431","0.0005","18.7639","0.0005","19.9485","0.0006","65.084","0.003","76.898","0.002","60.275","0.003","5524.1","0.3","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C48 H128 Cl11 Cu24 Gd6 N12 O138 -","- C48 H128 Cl11 Cu24 Gd6 N12 O138 -","- C48 H128 Cl11 Cu24 Gd6 N12 O138 -","1","0.5","","Chen, Jia-Nan; Pan, Zhong-Hua; Qiu, Qi-Hao; Wang, Cheng; Long, La-Sheng; Zheng, Lan-Sun; Kong, Xiang-Jian","Soluble Gd<sub>6</sub>Cu<sub>24</sub> clusters: effective molecular electrocatalysts for water oxidation.","Chemical science","2024","15","2","511","515","10.1039/d3sc05849b","","x-ray","1.54184","CuKα","","0.0596","0.0542","","","0.1395","0.1447","","","","","","1.039","","","","has coordinates,has disorder","289421","2024-02-04","11:32:16",""
"1570495","20.0889","0.0006","20.0889","0.0006","57.4977","0.0009","90","","90","","120","","20095.3","0.9","100.01","0.1","100.01","0.1","","","","","","","","7","R -3 :H","-R 3","148","","","","- C73 H156 Cl16 Cu24 Gd6 N36 O151 -","- C73 H156 Cl16 Cu24 Gd6 N36 O151 -","- C219 H468 Cl48 Cu72 Gd18 N108 O453 -","3","0.166667","","Chen, Jia-Nan; Pan, Zhong-Hua; Qiu, Qi-Hao; Wang, Cheng; Long, La-Sheng; Zheng, Lan-Sun; Kong, Xiang-Jian","Soluble Gd<sub>6</sub>Cu<sub>24</sub> clusters: effective molecular electrocatalysts for water oxidation.","Chemical science","2024","15","2","511","515","10.1039/d3sc05849b","","x-ray","1.54184","CuKα","","0.1122","0.092","","","0.2772","0.3022","","","","","","1.083","","","","has coordinates,has disorder","289421","2024-02-04","11:32:16",""
"1570496","6.2918","0.0001","7.9579","0.0001","37.036","0.0005","90","","90","","90","","1854.37","0.05","99.9","0.3","99.9","0.3","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O4 S2 -","- C19 H21 N O4 S2 -","- C76 H84 N4 O16 S8 -","4","1","","Lipilin, Dmitry L.; Zubkov, Mikhail O.; Kosobokov, Mikhail D.; Dilman, Alexander D.","Direct conversion of carboxylic acids to free thiols <i>via</i> radical relay acridine photocatalysis enabled by N-O bond cleavage.","Chemical science","2024","15","2","644","650","10.1039/d3sc05513b","","x-ray","1.54184","CuKα","","0.0481","0.0463","","","0.1209","0.1219","","","","","","1.086","","","","has coordinates","289417","2024-02-04","11:31:32",""
"1570497","21.7245","0.0004","8.151","0.0001","27.6097","0.0005","90","","108.074","0.002","90","","4647.79","0.14","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 Cl2 N3 O3 Pt -","- C24 H21 Cl2 N3 O3 Pt -","- C192 H168 Cl16 N24 O24 Pt8 -","8","2","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","1.54184","CuKα","","0.0666","0.0658","","","0.1669","0.1677","","","","","","1.047","","","","has coordinates","289429","2024-02-04","11:34:40",""
"1570498","12.139","0.002","6.8997","0.0013","22.664","0.004","90","","104.348","0.007","90","","1839","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 F2 N3 O2 Pt -","- C22 H15 F2 N3 O2 Pt -","- C88 H60 F8 N12 O8 Pt4 -","4","1","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","0.4119","Synchrotron","","0.017","0.0168","","","0.0457","0.0459","","","","","","1.063","","","","has coordinates","289429","2024-02-04","11:34:40",""
"1570499","12.577","0.013","8.202","0.005","20.223","0.012","90","","103.1","0.02","90","","2032","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N3 O2 Pt S -","- C24 H17 N3 O2 Pt S -","- C96 H68 N12 O8 Pt4 S4 -","4","1","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","0.4118","Synchrotron","","0.0254","0.0244","","","0.0653","0.0661","","","","","","1.047","","","","has coordinates","289429","2024-02-04","11:34:40",""
"1570500","8.5147","0.0002","16.3288","0.0004","28.9929","0.0008","90","","97.377","0.002","90","","3997.66","0.18","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H61 Cl N4 O3 Pt -","- C42 H61 Cl N4 O3 Pt -","- C168 H244 Cl4 N16 O12 Pt4 -","4","1","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","0.81082","Synchrotron","","0.094","0.0805","","","0.1908","0.202","","","","","","1.075","","","","has coordinates","289429","2024-02-04","11:34:40",""
"1570501","29.7626","0.0016","5.095","0.0003","25.3909","0.0013","90","","98.831","0.007","90","","3804.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N3 O2.5 Pt -","- C24 H18 N3 O2.5 Pt -","- C192 H144 N24 O20 Pt8 -","8","2","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","0.4119","Synchrotron","","0.02","0.0198","","","0.0517","0.0519","","","","","","1.114","","","","has coordinates","289429","2024-02-04","11:34:40",""
"1570502","20.783","0.005","23.203","0.006","22.652","0.005","90","","90.778","0.004","90","","10922","5","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C114 H122 Cl7 N13 O12 Pt4 -","- C114 H122 Cl7 N13 O12 Pt4 -","- C456 H488 Cl28 N52 O48 Pt16 -","4","0.5","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","0.81082","Synchrotron","","0.0869","0.0739","","","0.1995","0.2118","","","","","","1.075","","","","has coordinates,has disorder","289429","2024-02-04","11:34:40",""
"1570503","28.1013","0.0006","8.2546","0.0002","17.2008","0.0004","90","","90","","90","","3989.98","0.16","90","2","90","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C41 H55 Cl3 N4 O2 Pt -","- C41 H55 Cl3 N4 O2 Pt -","- C164 H220 Cl12 N16 O8 Pt4 -","4","1","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","0.81106","Synchrotron","","0.049","0.0466","","","0.106","0.1074","","","","","","1.144","","","","has coordinates","289429","2024-02-04","11:34:40",""
"1570504","21.437","0.003","8.3346","0.0012","22.655","0.004","90","","90","","90","","4047.7","1.1","90","2","90","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C42 H61 Cl N4 O2 Pt -","- C42 H61 Cl N4 O2 Pt -","- C168 H244 Cl4 N16 O8 Pt4 -","4","1","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","0.71073","MoKα","","0.059","0.0528","","","0.1375","0.142","","","","","","1.004","","","","has coordinates","289429","2024-02-04","11:34:40",""
"1570505","16.8798","0.0014","16.7488","0.0014","29.324","0.003","90","","98.644","0.002","90","","8196.2","1.3","90","2","90","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C39.67 H54.34 Cl2.67 F2 N4 O2 Pt -","- C39.6715 H54.343 Cl2.6715 F2 N4 O2 Pt -","- C317.372 H434.744 Cl21.372 F16 N32 O16 Pt8 -","8","4","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","0.81082","Synchrotron","","0.0653","0.0593","","","0.1523","0.1592","","","","","","1.065","","","","has coordinates","289429","2024-02-04","11:34:40",""
"1570506","17.716","0.008","17.001","0.007","27.332","0.012","90","","90","","90","","8232","6","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H57 Cl3 N4 O2 Pt -","- C42 H57 Cl3 N4 O2 Pt -","- C336 H456 Cl24 N32 O16 Pt8 -","8","1","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","0.71073","MoKα","","0.125","0.0964","","","0.2422","0.2688","","","","","","1.026","","","","has coordinates,has disorder","289429","2024-02-04","11:34:40",""
"1570507","13.5379","0.0002","18.5737","0.0003","19.8643","0.0003","62.469","0.002","72.905","0.001","86.326","0.001","4218.34","0.14","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H70 Au Cl9 N10 O4 Pt2 -","- C96 H70 Au Cl9 N10 O4 Pt2 -","- C192 H140 Au2 Cl18 N20 O8 Pt4 -","2","1","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","1.54184","CuKα","","0.0452","0.0385","","","0.1099","0.1136","","","","","","1.006","","","","has coordinates,has disorder","289429","2024-02-04","11:34:40",""
"1570508","47.3103","0.0011","8.5434","0.0002","21.0894","0.0005","90","","96.468","0.002","90","","8469.9","0.3","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42.95 H60.9 Cl1.95 F2 N4 O2 Pt -","- C42.95 H60.9 Cl1.95 F2 N4 O2 Pt -","- C343.6 H487.2 Cl15.6 F16 N32 O16 Pt8 -","8","1","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","0.81082","Synchrotron","","0.0521","0.0505","","","0.1285","0.1296","","","","","","1.117","","","","has coordinates,has disorder","289429","2024-02-04","11:34:40",""
"1570509","22.024","0.002","22.024","0.002","21.509","0.002","90","","90","","90","","10433.1","1.7","90","2","90","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C112 H116 Cl13 N13 O12 Pt4 -","- C108 H112 Cl N13 O12 Pt4 -","- C432 H448 Cl4 N52 O48 Pt16 -","4","0.25","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","0.81082","Synchrotron","","0.136","0.1029","","","0.2296","0.2525","","","","","","1.173","","","","has coordinates","289429","2024-02-04","11:34:40",""
"1570510","15.447","0.002","5.8857","0.0006","29.629","0.004","90","","91.258","0.005","90","","2693.1","0.6","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","S5","S5","","- C60 H46 N4 -","- C60 H46 N4 -","- C120 H92 N8 -","2","0.5","","Wang, Hui; Liu, Hui; Wang, Mingsen; Hou, Jiaheng; Li, Yongjun; Wang, Yuancheng; Zhao, Yingjie","Cucurbituril-based supramolecular host-guest complexes: single-crystal structures and dual-state fluorescence enhancement.","Chemical science","2024","15","2","458","465","10.1039/d3sc04813f","","x-ray","0.71073","MoKα","","0.1365","0.0714","","","0.1903","0.235","","","","","","1.011","","","","has coordinates","289418","2024-02-04","11:31:45",""
"1570511","13.107","0.0007","17.0258","0.001","25.9476","0.0013","75.072","0.005","85.004","0.004","77.546","0.005","5460.3","0.5","170","2","170","2","","","","","","","","5","P -1","-P 1","2","M1_CB[7]","M1_CB[7]","","- C148 H142 I4 N60 O28 -","- C148 H142 I4 N60 O28 -","- C148 H142 I4 N60 O28 -","1","0.5","","Wang, Hui; Liu, Hui; Wang, Mingsen; Hou, Jiaheng; Li, Yongjun; Wang, Yuancheng; Zhao, Yingjie","Cucurbituril-based supramolecular host-guest complexes: single-crystal structures and dual-state fluorescence enhancement.","Chemical science","2024","15","2","458","465","10.1039/d3sc04813f","","","1.54184","CuKα","","0.2256","0.1841","","","0.3377","0.3531","","","","","","1.045","","","","has coordinates","289418","2024-02-04","11:31:46",""
"1570512","18.6227","0.0004","18.6227","0.0004","90.614","0.003","90","","90","","90","","31425.4","1.4","220","2","220","2","","","","","","","","5","P -4 2 c","P -4 2c","112","M1_CB[8]","M1_CB[8]","","- C160 H150 I4 N68 O32 -","- C160 H150 I3.999 N68 O32 -","- C640 H600 I15.996 N272 O128 -","4","0.5","","Wang, Hui; Liu, Hui; Wang, Mingsen; Hou, Jiaheng; Li, Yongjun; Wang, Yuancheng; Zhao, Yingjie","Cucurbituril-based supramolecular host-guest complexes: single-crystal structures and dual-state fluorescence enhancement.","Chemical science","2024","15","2","458","465","10.1039/d3sc04813f","","x-ray","0.71073","MoKα","","0.1406","0.088","","","0.2464","0.2812","","","","","","1.049","","","","has coordinates,has disorder","289418","2024-02-04","11:31:46",""
"1570520","9.3561","0.0001","12.3477","0.0002","18.1889","0.0003","90","","90","","90","","2101.3","0.05","296.15","","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H28 Cl6 In N3 O -","- C10 H28 Cl6 In N3 O -","- C40 H112 Cl24 In4 N12 O4 -","4","1","","Li, Dong-Yang; Kang, Huai-Yuan; Liu, Yu-Hang; Zhang, Jie; Yue, Cheng-Yang; Yan, Dongpeng; Lei, Xiao-Wu","A 0D hybrid lead-free halide with near-unity photoluminescence quantum yield toward multifunctional optoelectronic applications.","Chemical science","2024","15","3","953","963","10.1039/d3sc05245a","","","0.71073","MoKα","","0.0276","0.0237","","","0.0543","0.0558","","","","","","1.0168","","","","has coordinates","289428","2024-02-04","11:34:07",""
"1570521","35.662","0.002","8.8757","0.0006","15.3809","0.0009","90","","90","","90","","4868.4","0.5","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C13 H25 F6 Fe N3 O7 S2 -","- C13 H25 F6 Fe N3 O7 S2 -","- C104 H200 F48 Fe8 N24 O56 S16 -","8","1","","Devi, Tarali; Dutta, Kuheli; Deutscher, Jennifer; Mebs, Stefan; Kuhlmann, Uwe; Haumann, Michael; Cula, Beatrice; Dau, Holger; Hildebrandt, Peter; Ray, Kallol","A high-spin alkylperoxo-iron(iii) complex with <i>cis</i>-anionic ligands: implications for the superoxide reductase mechanism.","Chemical science","2024","15","2","528","533","10.1039/d3sc05603a","","","0.71073","MoKα","","0.076","0.0417","","","0.0803","0.0901","","","","","","1.017","","","","has coordinates","289419","2024-02-04","11:31:54",""
"1570522","10.6428","0.0018","16.779","0.002","18.282","0.003","109.298","0.005","101.65","0.006","92.667","0.006","2995.1","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C76.5 H72.5 N Ni O2 P -","- C76.5 H72.5 N Ni O2 P -","- C153 H145 N2 Ni2 O4 P2 -","2","1","","Birajdar, Rajkumar S.; Gonnade, Rajesh G.; Chikkali, Samir H.","Regulating the polyethylene microstructure by increasing steric crowding in naphthoxy imine-ligated Ni(ii) complexes","Polymer Chemistry","2024","15","4","292","302","10.1039/D3PY01010D","","","0.71073","MoKα","","0.0667","0.0545","","","0.14","0.1531","","","","","","1.053","","","","has coordinates","289647","2024-02-04","12:32:52",""
"1570523","11.4531","0.0019","13.695","0.002","14.417","0.003","77.01","0.006","66.853","0.005","71.002","0.005","1953.8","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H46 N Ni O P -","- C48 H46 N Ni O P -","- C96 H92 N2 Ni2 O2 P2 -","2","1","","Birajdar, Rajkumar S.; Gonnade, Rajesh G.; Chikkali, Samir H.","Regulating the polyethylene microstructure by increasing steric crowding in naphthoxy imine-ligated Ni(ii) complexes","Polymer Chemistry","2024","15","4","292","302","10.1039/D3PY01010D","","","0.71073","MoKα","","0.0722","0.0509","","","0.0825","0.0893","","","","","","1.068","","","","has coordinates,has disorder","289647","2024-02-04","12:32:52",""
"1570524","9.3181","0.0012","10.1498","0.0012","19.648","0.002","103.844","0.004","97.992","0.005","92.327","0.004","1781.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H40 N Ni O P -","- C45 H40 N Ni O P -","- C90 H80 N2 Ni2 O2 P2 -","2","1","","Birajdar, Rajkumar S.; Gonnade, Rajesh G.; Chikkali, Samir H.","Regulating the polyethylene microstructure by increasing steric crowding in naphthoxy imine-ligated Ni(ii) complexes","Polymer Chemistry","2024","15","4","292","302","10.1039/D3PY01010D","","","0.71073","MoKα","","0.0586","0.0385","","","0.0888","0.0979","","","","","","1.039","","","","has coordinates","289647","2024-02-04","12:32:52",""
"1570526","33.9435","0.0014","5.7917","0.0002","17.1106","0.0008","90","","102.733","0.002","90","","3281.1","0.2","193","2","193","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 O3 -","- C20 H20 O3 -","- C160 H160 O24 -","8","1","","Hou, Jingwei; Li, Xiaohong; Yan, Kaiyu; Zhang, Lei; Loh, Teck-Peng; Xie, Peizhong","Uracil-Cu(i) catalyst: allylation of cyclopropanols with Morita-Baylis-Hillman alcohols under water-tolerant conditions.","Chemical science","2024","15","3","1143","1149","10.1039/d3sc04890j","","","0.71073","MoKα","","0.0632","0.045","","","0.0995","0.1099","","","","","","1.02","","","","has coordinates","289432","2024-02-04","11:35:10",""
"1570527","23.6994","0.0002","8.0465","0.0001","33.4683","0.0002","90","","99.912","0.001","90","","6287.04","0.1","173","2","173","2","","","","","","","synthesis as described","7","I 1 2/a 1","-I 2ya","15","","","","- C30 H31 B F4 Mn N5 O3 -","- C30 H31 B F4 Mn N5 O3 -","- C240 H248 B8 F32 Mn8 N40 O24 -","8","1","","Gulyaeva, Ekaterina S.; Osipova, Elena S.; Kovalenko, Sergey A.; Filippov, Oleg A.; Belkova, Natalia V.; Vendier, Laure; Canac, Yves; Shubina, Elena S.; Valyaev, Dmitry A.","Two active species from a single metal halide precursor: a case study of highly productive Mn-catalyzed dehydrogenation of amine-boranes <i>via</i> intermolecular bimetallic cooperation.","Chemical science","2024","15","4","1409","1417","10.1039/d3sc05356c","","x-ray","1.54184","CuKα","","0.0387","0.0365","","","0.1003","0.1023","","","","","","1.042","","","","has coordinates","289406","2024-02-04","11:29:51",""
"1570528","19.766","0.008","15.67","0.006","17.052","0.007","90","","95.937","0.014","90","","5253","4","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H62 B2 Cl2 Mn N5 O3 -","- C56 H62 B2 Cl2 Mn N5 O3 -","- C224 H248 B8 Cl8 Mn4 N20 O12 -","4","1","","Gulyaeva, Ekaterina S.; Osipova, Elena S.; Kovalenko, Sergey A.; Filippov, Oleg A.; Belkova, Natalia V.; Vendier, Laure; Canac, Yves; Shubina, Elena S.; Valyaev, Dmitry A.","Two active species from a single metal halide precursor: a case study of highly productive Mn-catalyzed dehydrogenation of amine-boranes <i>via</i> intermolecular bimetallic cooperation.","Chemical science","2024","15","4","1409","1417","10.1039/d3sc05356c","","x-ray","0.71073","MoKα","","0.0553","0.0444","","","0.1112","0.1186","","","","","","1.051","","","","has coordinates","289406","2024-02-04","11:29:52",""
"1570529","12.8509","0.0002","12.404","0.0002","21.802","0.0004","90","","90","","90","","3475.29","0.1","150","2","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H16 S3 Si -","- C19 H16 S3 Si -","- C152 H128 S24 Si8 -","8","1","","Sun, Zhen; Xu, Wan; Qiu, Shuai; Ma, Zhiying; Li, Chunli; Zhang, Sheng; Wang, Hua","Thia[<i>n</i>]helicenes with long persistent phosphorescence.","Chemical science","2024","15","3","1077","1087","10.1039/d3sc05480b","","","0.71073","MoKα","","0.0401","0.0304","","","0.0714","0.0774","","","","","","1.042","","","","has coordinates","289434","2024-02-04","11:36:01",""
"1570530","7.373","0.004","8.088","0.005","14.38","0.008","94.58","0.02","99.657","0.016","114.95","0.02","755.5","0.8","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 S3 Si -","- C15 H14 S3 Si -","- C30 H28 S6 Si2 -","2","1","","Sun, Zhen; Xu, Wan; Qiu, Shuai; Ma, Zhiying; Li, Chunli; Zhang, Sheng; Wang, Hua","Thia[<i>n</i>]helicenes with long persistent phosphorescence.","Chemical science","2024","15","3","1077","1087","10.1039/d3sc05480b","","","0.71073","MoKα","","0.1095","0.0999","","","0.2545","0.2673","","","","","","1.159","","","","has coordinates","289434","2024-02-04","11:36:01",""
"1570531","14.2989","0.0003","12.2575","0.0002","12.9384","0.0002","90","","96.91","0.001","90","","2251.23","0.07","150","2","149.98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 S3 Si -","- C27 H20 S3 Si -","- C108 H80 S12 Si4 -","4","1","","Sun, Zhen; Xu, Wan; Qiu, Shuai; Ma, Zhiying; Li, Chunli; Zhang, Sheng; Wang, Hua","Thia[<i>n</i>]helicenes with long persistent phosphorescence.","Chemical science","2024","15","3","1077","1087","10.1039/d3sc05480b","","","0.71073","MoKα","","0.0353","0.0293","","","0.0759","0.0805","","","","","","1.036","","","","has coordinates","289434","2024-02-04","11:36:01",""
"1570532","21.1138","0.0008","7.7627","0.0002","24.2285","0.0008","90","","90","","90","","3971.1","0.2","150","2","149.97","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H18 S3 Si -","- C23 H18 S3 Si -","- C184 H144 S24 Si8 -","8","1","","Sun, Zhen; Xu, Wan; Qiu, Shuai; Ma, Zhiying; Li, Chunli; Zhang, Sheng; Wang, Hua","Thia[<i>n</i>]helicenes with long persistent phosphorescence.","Chemical science","2024","15","3","1077","1087","10.1039/d3sc05480b","","","0.71073","MoKα","","0.059","0.045","","","0.1133","0.1254","","","","","","1.038","","","","has coordinates","289434","2024-02-04","11:36:01",""
"1570533","6.00483","0.00006","7.13118","0.0001","37.8376","0.0004","90","","91.6595","0.0009","90","","1619.58","0.03","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 O -","- C20 H18 N2 O -","- C80 H72 N8 O4 -","4","1","","Zhao, Yuanyuan; Li, Xinyue; Homölle, Simon L; Wang, Bin; Ackermann, Lutz","Electrochemical assembly of isoxazoles <i>via</i> a four-component domino reaction.","Chemical science","2024","15","3","1117","1122","10.1039/d3sc05946d","","x-ray","1.54184","CuKα","","0.0451","0.043","","","0.1216","0.1241","","","","","","1.04","","","","has coordinates","289430","2024-02-04","11:34:48",""
"1570534","7.6734","0.0002","11.85","0.0003","13.3321","0.0003","104.364","0.002","97.514","0.002","93.655","0.002","1158.45","0.05","100","0.13","100","0.13","","","","","","","","7","P -1","-P 1","2","","","","- C18 H14 Br Mn N2 O3 S -","- C18 H14 Br Mn N2 O3 S -","- C36 H28 Br2 Mn2 N4 O6 S2 -","2","1","","Das, Kuhali; Kundu, Abhishek; Sarkar, Koushik; Adhikari, Debashis; Maji, Biplab","Catalytic acceptorless dehydrogenative borylation of styrenes enabled by a molecularly defined manganese complex.","Chemical science","2024","15","3","1098","1105","10.1039/d3sc05523j","","x-ray","1.54184","CuKα","","0.0426","0.0398","","","0.1099","0.1128","","","","","","1.065","","","","has coordinates","289433","2024-02-04","11:35:25",""
"1570535","13.2068","0.0004","15.5782","0.0005","9.4496","0.0003","90","","98.364","0.003","90","","1923.47","0.11","106","9","106","9","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Manganesepentacarbonylbromidequinolinethiophene","","- C19 H16 Br Mn N2 O3 S -","- C19 H16 Br Mn N2 O3 S -","- C76 H64 Br4 Mn4 N8 O12 S4 -","4","1","","Das, Kuhali; Kundu, Abhishek; Sarkar, Koushik; Adhikari, Debashis; Maji, Biplab","Catalytic acceptorless dehydrogenative borylation of styrenes enabled by a molecularly defined manganese complex.","Chemical science","2024","15","3","1098","1105","10.1039/d3sc05523j","","x-ray","0.71073","MoKα","","0.0586","0.0504","","","0.1353","0.1398","","","","","","1.051","","","","has coordinates","289433","2024-02-04","11:35:26",""
"1570536","6.0499","0.0006","10.3177","0.0009","16.6641","0.0015","101.437","0.007","92.135","0.006","101.786","0.007","994.76","0.16","271.55","","271.55","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C42 H52 N4 O6 -","2","1","","Hasebe, Shodai; Hagiwara, Yuki; Ueno, Takashi; Asahi, Toru; Koshima, Hideko","Negative to positive axial thermal expansion switching of an organic crystal: contribution to multistep photoactuation.","Chemical science","2024","15","3","1088","1097","10.1039/d3sc04796b","","","1.54187","CuKα","","0.1085","0.072","","","0.1685","0.1885","","","","","","1.1","","","","has coordinates,has disorder","289431","2024-02-04","11:35:01",""
"1570537","6.0419","0.0006","10.3191","0.0011","16.7479","0.0018","101.248","0.007","92.177","0.006","101.546","0.007","1000.17","0.19","288.35","","288.35","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C42 H52 N4 O6 -","2","1","","Hasebe, Shodai; Hagiwara, Yuki; Ueno, Takashi; Asahi, Toru; Koshima, Hideko","Negative to positive axial thermal expansion switching of an organic crystal: contribution to multistep photoactuation.","Chemical science","2024","15","3","1088","1097","10.1039/d3sc04796b","","","1.54187","CuKα","","0.1169","0.0745","","","0.1729","0.195","","","","","","1.086","","","","has coordinates,has disorder","289431","2024-02-04","11:35:01",""
"1570538","6.0399","0.0007","10.3202","0.0011","16.7772","0.0018","101.178","0.007","92.181","0.006","101.469","0.007","1002.25","0.19","296.75","","296.75","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C42 H52 N4 O6 -","2","1","","Hasebe, Shodai; Hagiwara, Yuki; Ueno, Takashi; Asahi, Toru; Koshima, Hideko","Negative to positive axial thermal expansion switching of an organic crystal: contribution to multistep photoactuation.","Chemical science","2024","15","3","1088","1097","10.1039/d3sc04796b","","","1.54187","CuKα","","0.1222","0.0797","","","0.182","0.2019","","","","","","1.149","","","","has coordinates,has disorder","289431","2024-02-04","11:35:01",""
"1570539","6.0394","0.0008","10.3207","0.0013","16.801","0.002","101.124","0.007","92.18","0.006","101.408","0.007","1004.1","0.2","305.15","","305.15","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C42 H52 N4 O6 -","2","1","","Hasebe, Shodai; Hagiwara, Yuki; Ueno, Takashi; Asahi, Toru; Koshima, Hideko","Negative to positive axial thermal expansion switching of an organic crystal: contribution to multistep photoactuation.","Chemical science","2024","15","3","1088","1097","10.1039/d3sc04796b","","","1.54187","CuKα","","0.1284","0.0802","","","0.1901","0.2133","","","","","","1.12","","","","has coordinates,has disorder","289431","2024-02-04","11:35:01",""
"1570540","6.0405","0.0008","10.323","0.0013","16.826","0.002","101.079","0.007","92.174","0.006","101.364","0.007","1006.3","0.2","313.55","","313.55","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C42 H52 N4 O6 -","2","1","","Hasebe, Shodai; Hagiwara, Yuki; Ueno, Takashi; Asahi, Toru; Koshima, Hideko","Negative to positive axial thermal expansion switching of an organic crystal: contribution to multistep photoactuation.","Chemical science","2024","15","3","1088","1097","10.1039/d3sc04796b","","","1.54187","CuKα","","0.1342","0.0823","","","0.1982","0.2249","","","","","","1.094","","","","has coordinates,has disorder","289431","2024-02-04","11:35:01",""
"1570541","6.0445","0.0009","10.33","0.0014","16.853","0.002","101.035","0.007","92.153","0.006","101.338","0.007","1009.6","0.2","321.95","","321.95","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C42 H52 N4 O6 -","2","1","","Hasebe, Shodai; Hagiwara, Yuki; Ueno, Takashi; Asahi, Toru; Koshima, Hideko","Negative to positive axial thermal expansion switching of an organic crystal: contribution to multistep photoactuation.","Chemical science","2024","15","3","1088","1097","10.1039/d3sc04796b","","","1.54187","CuKα","","0.1424","0.0861","","","0.2163","0.2458","","","","","","1.094","","","","has coordinates,has disorder","289431","2024-02-04","11:35:01",""
"1570542","6.0455","0.0006","10.3195","0.001","16.7114","0.0017","101.333","0.007","92.155","0.006","101.65","0.007","997.93","0.18","279.95","","279.95","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C42 H52 N4 O6 -","2","1","","Hasebe, Shodai; Hagiwara, Yuki; Ueno, Takashi; Asahi, Toru; Koshima, Hideko","Negative to positive axial thermal expansion switching of an organic crystal: contribution to multistep photoactuation.","Chemical science","2024","15","3","1088","1097","10.1039/d3sc04796b","","","1.54187","CuKα","","0.1131","0.0738","","","0.1741","0.1973","","","","","","1.107","","","","has coordinates,has disorder","289431","2024-02-04","11:35:01",""
"1570543","6.0467","0.001","10.3324","0.0017","16.871","0.003","101","0.007","92.143","0.006","101.307","0.007","1011.5","0.3","330.35","","330.35","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C42 H52 N4 O6 -","2","1","","Hasebe, Shodai; Hagiwara, Yuki; Ueno, Takashi; Asahi, Toru; Koshima, Hideko","Negative to positive axial thermal expansion switching of an organic crystal: contribution to multistep photoactuation.","Chemical science","2024","15","3","1088","1097","10.1039/d3sc04796b","","","1.54187","CuKα","","0.1427","0.0865","","","0.2088","0.2395","","","","","","1.08","","","","has coordinates,has disorder","289431","2024-02-04","11:35:01",""
"1570544","9.6712","0.0002","10.1319","0.0002","25.4616","0.0004","90","","96.565","0.002","90","","2478.56","0.08","123.15","","123.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","methyl 2-((diphenylmethylene)amino)-3-(1-methylcyclohexyl)-2-(p-tolyl)propanoate","","- C31 H35 N O2 -","- C31 H35 N O2 -","- C124 H140 N4 O8 -","4","1","","Okumatsu, Daichi; Kiyokawa, Kensuke; Bao Nguyen, Linh Tran; Abe, Manabu; Minakata, Satoshi","Photoexcitation of (diarylmethylene)amino benziodoxolones for alkylamination of styrene derivatives with carboxylic acids.","Chemical science","2024","15","3","1068","1076","10.1039/d3sc06090j","","x-ray","1.54184","CuKα","","0.0433","0.0406","","","0.106","0.1086","","","","","","1.046","","","","has coordinates","289427","2024-02-04","11:33:53",""
"1570545","9.0767","0.0001","10.2335","0.0002","25.6684","0.0003","90","","96.542","0.001","90","","2368.72","0.06","123.15","","123.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","methyl 2-((diphenylmethylene)amino)-4,4-dimethyl-2-(p-tolyl)pentanoate","","- C28 H31 N O2 -","- C28 H31 N O2 -","- C112 H124 N4 O8 -","4","1","","Okumatsu, Daichi; Kiyokawa, Kensuke; Bao Nguyen, Linh Tran; Abe, Manabu; Minakata, Satoshi","Photoexcitation of (diarylmethylene)amino benziodoxolones for alkylamination of styrene derivatives with carboxylic acids.","Chemical science","2024","15","3","1068","1076","10.1039/d3sc06090j","","x-ray","1.54184","CuKα","","0.0472","0.0413","","","0.1051","0.1107","","","","","","1.056","","","","has coordinates,has disorder","289427","2024-02-04","11:33:53",""
"1570546","10.3382","0.0002","15.2358","0.0002","17.3918","0.0002","107.109","0.001","95.894","0.001","102.639","0.001","2513.4","0.07","123.15","","123.15","","","","","","","","","3","P -1","-P 1","2","","N-(2-(1-methylcyclohexyl)-1,1-di(pyridin-2-yl)ethyl)-1,1-diphenylmethanimine","","- C32 H33 N3 -","- C32 H33 N3 -","- C128 H132 N12 -","4","2","","Okumatsu, Daichi; Kiyokawa, Kensuke; Bao Nguyen, Linh Tran; Abe, Manabu; Minakata, Satoshi","Photoexcitation of (diarylmethylene)amino benziodoxolones for alkylamination of styrene derivatives with carboxylic acids.","Chemical science","2024","15","3","1068","1076","10.1039/d3sc06090j","","x-ray","1.54184","CuKα","","0.0477","0.0402","","","0.1011","0.1058","","","","","","1.038","","","","has coordinates","289427","2024-02-04","11:33:53",""
"1570547","10.232","0.003","10.735","0.004","16.557","0.008","85.248","0.014","72.999","0.017","74.424","0.014","1675.3","1.1","99.99","","99.99","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H26 Cl Cu N3 O4 S2 -","- C36 H26 Cl Cu N3 O4 S2 -","- C72 H52 Cl2 Cu2 N6 O8 S4 -","2","1","","Mandal, Mukunda; Buss, Joshua A.; Chen, Si-Jie; Cramer, Christopher J.; Stahl, Shannon S.","Mechanistic insights into radical formation and functionalization in copper/<i>N</i>-fluorobenzenesulfonimide radical-relay reactions.","Chemical science","2024","15","4","1364","1373","10.1039/d3sc03597b","","x-ray","0.71073","MoKα","K-L~3~","0.06","0.0397","","","0.0942","0.1009","","","","","","1.049","","","","has coordinates","289409","2024-02-04","11:30:21",""
"1570555","23.4819","0.0013","23.4819","0.0013","33.2671","0.0009","90","","90","","90","","18343.5","1.5","123","","123","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C70 H60 N2 O6 P2 Pt -","- C70 H60 N2 O6 P2 Pt -","- C560 H480 N16 O48 P16 Pt8 -","8","1","","Horiuchi, Takashi; Makino, Soya; Sano, Natsuhiro; Sogawa, Hiromitsu; Sanda, Fumio","Synthesis of geometry-controlled platinum-containing polymers bearing optically active bidentate phosphine ligands","Polymer Chemistry","2024","15","4","303","309","10.1039/D3PY01074K","","","0.71075","MoKα","","0.0976","0.05","","","0.1198","0.1365","","","","","","0.971","","","","has coordinates","289648","2024-02-04","12:33:01",""
"1570556","14.1876","0.0004","14.5939","0.0003","26.9748","0.0005","90","","90","","90","","5585.2","0.2","173","0.14","173","0.14","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H34 Fe N2 O2 Zn -","- C30 H34 Fe N2 O2 Zn -","- C240 H272 Fe8 N16 O16 Zn8 -","8","1","","Perez-Jimenez, Marina; Crimmin, Mark R.","Photochemical H<sub>2</sub> activation by an Zn-Fe heterometallic: a mechanistic investigation.","Chemical science","2024","15","4","1424","1430","10.1039/d3sc05966a","","x-ray","1.54184","CuKα","","0.06","0.041","","","0.0905","0.104","","","","","","1.034","","","","has coordinates","289407","2024-02-04","11:30:02",""
"1570557","10.6485","0.0009","15.0229","0.001","20.9423","0.0012","89.192","0.005","89.647","0.006","84.943","0.006","3336.8","0.4","172.95","0.1","172.95","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C71 H94 Fe2 N4 O3 Zn2 -","- C71 H94 Fe2 N4 O3 Zn2 -","- C142 H188 Fe4 N8 O6 Zn4 -","2","1","","Perez-Jimenez, Marina; Crimmin, Mark R.","Photochemical H<sub>2</sub> activation by an Zn-Fe heterometallic: a mechanistic investigation.","Chemical science","2024","15","4","1424","1430","10.1039/d3sc05966a","","x-ray","1.54184","CuKα","","0.0925","0.0541","","","0.1219","0.1452","","","","","","1.048","","","","has coordinates","289407","2024-02-04","11:30:03",""
"1570558","11.1406","0.0008","16.2422","0.0011","35.82","0.003","96.234","0.004","92.497","0.004","101.357","0.004","6303","0.8","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C185 H151 N3 -","- C185 H151 N3 -","- C370 H302 N6 -","2","1","","Ruan, Lan; Luo, Wanhua; Zhang, Haifan; Liu, Peng; Shi, Yong; An, Peng","Cycl[2,2,4]azine-embedded non-alternant nanographenes containing fused antiaromatic azepine ring.","Chemical science","2024","15","4","1511","1519","10.1039/d3sc05515a","","","1.54178","CuKα","","0.0951","0.0705","","","0.1929","0.2109","","","","","","1.073","","","","has coordinates,has disorder","289408","2024-02-04","11:30:14",""
"1570559","8.5075","0.0002","9.6128","0.0002","16.4841","0.0004","90","","90","","90","","1348.08","0.05","99.9","0.6","100.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N -","- C17 H18 N -","- C68 H72 N4 -","4","1","","Rago, Alexander J.; Ye, Rong; Liu, Xin; Dong, Guangbin","A four-component reaction to access 3,3-disubstituted indolines <i>via</i> the palladium-norbornene-catalyzed <i>ortho</i> amination/<i>ipso</i> conjunctive coupling.","Chemical science","2024","15","4","1318","1323","10.1039/d3sc06409c","","","1.54184","CuKα","","0.049","0.0454","","","0.1197","0.129","","","","","","1.083","","","","has coordinates,has disorder","289412","2024-02-04","11:30:49",""
"1570562","9.141","0.003","14.09","0.004","14.188","0.003","94.82","0.02","92.36","0.02","107.67","0.03","1730.7","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H36 Cl2 N10 Ni O S2 -","- C30 H36 Cl2 N10 Ni O S2 -","- C60 H72 Cl4 N20 Ni2 O2 S4 -","2","1","","Dharmasivam, Mahendiran; Kaya, Busra; Wijesinghe, Tharushi P.; Richardson, Vera; Harmer, Jeffrey R.; Gonzalvez, Miguel A.; Lewis, William; Azad, Mahan Gholam; Bernhardt, Paul V.; Richardson, Des R.","Differential transmetallation of complexes of the anti-cancer thiosemicarbazone, Dp4e4mT: effects on anti-proliferative efficacy, redox activity, oxy-myoglobin and oxy-hemoglobin oxidation.","Chemical science","2024","15","3","974","990","10.1039/d3sc05723b","","x-ray","1.54184","CuKα","","0.2326","0.1045","","","0.2267","0.2878","","","","","","0.967","","","","has coordinates","289425","2024-02-04","11:33:33",""
"1570563","9.5625","0.0003","13.6735","0.0004","13.8397","0.0005","73.376","0.003","77.366","0.003","86.693","0.003","1691.94","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H35 Cl Cu N10 O5 S2 -","- C30 H35 Cl Cu N10 O5 S2 -","- C60 H70 Cl2 Cu2 N20 O10 S4 -","2","1","","Dharmasivam, Mahendiran; Kaya, Busra; Wijesinghe, Tharushi P.; Richardson, Vera; Harmer, Jeffrey R.; Gonzalvez, Miguel A.; Lewis, William; Azad, Mahan Gholam; Bernhardt, Paul V.; Richardson, Des R.","Differential transmetallation of complexes of the anti-cancer thiosemicarbazone, Dp4e4mT: effects on anti-proliferative efficacy, redox activity, oxy-myoglobin and oxy-hemoglobin oxidation.","Chemical science","2024","15","3","974","990","10.1039/d3sc05723b","","x-ray","1.54184","CuKα","K-L~2,3~","0.0467","0.0406","","","0.1087","0.1148","","","","","","1.026","","","","has coordinates,has disorder","289425","2024-02-04","11:33:33",""
"1570564","10.7315","0.001","10.8268","0.0012","14.7436","0.0013","109.844","0.009","91.411","0.007","103.463","0.009","1556.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 N10 S2 Zn -","- C30 H32 N10 S2 Zn -","- C60 H64 N20 S4 Zn2 -","2","1","","Dharmasivam, Mahendiran; Kaya, Busra; Wijesinghe, Tharushi P.; Richardson, Vera; Harmer, Jeffrey R.; Gonzalvez, Miguel A.; Lewis, William; Azad, Mahan Gholam; Bernhardt, Paul V.; Richardson, Des R.","Differential transmetallation of complexes of the anti-cancer thiosemicarbazone, Dp4e4mT: effects on anti-proliferative efficacy, redox activity, oxy-myoglobin and oxy-hemoglobin oxidation.","Chemical science","2024","15","3","974","990","10.1039/d3sc05723b","","x-ray","1.54184","CuKα","","0.0408","0.0362","","","0.0938","0.0969","","","","","","1.054","","","","has coordinates,has disorder","289425","2024-02-04","11:33:33",""
"1570565","8.7832","0.0003","11.7181","0.0003","17.1171","0.0004","92.486","0.002","102.138","0.002","94.766","0.002","1713.04","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Ga(Dp4e4mT)2","","- C30 H34 Ga N11 O4 S2 -","- C30 H32 Ga N11.004 O4.013 S2 -","- C60 H64 Ga2 N22.008 O8.026 S4 -","2","1","","Dharmasivam, Mahendiran; Kaya, Busra; Wijesinghe, Tharushi P.; Richardson, Vera; Harmer, Jeffrey R.; Gonzalvez, Miguel A.; Lewis, William; Azad, Mahan Gholam; Bernhardt, Paul V.; Richardson, Des R.","Differential transmetallation of complexes of the anti-cancer thiosemicarbazone, Dp4e4mT: effects on anti-proliferative efficacy, redox activity, oxy-myoglobin and oxy-hemoglobin oxidation.","Chemical science","2024","15","3","974","990","10.1039/d3sc05723b","","x-ray","1.54184","CuKα","","0.0497","0.0432","","","0.1204","0.1265","","","","","","1.042","","","","has coordinates,has disorder","289425","2024-02-04","11:33:33",""
"1570566","22.7746","0.0012","14.2349","0.0007","23.3316","0.0009","90","","91.509","0.004","90","","7561.3","0.6","190","2","190","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H38 Cl Co N10 O2 S2 -","- C31 H38 Cl Co N10 O2 S2 -","- C248 H304 Cl8 Co8 N80 O16 S16 -","8","1","","Dharmasivam, Mahendiran; Kaya, Busra; Wijesinghe, Tharushi P.; Richardson, Vera; Harmer, Jeffrey R.; Gonzalvez, Miguel A.; Lewis, William; Azad, Mahan Gholam; Bernhardt, Paul V.; Richardson, Des R.","Differential transmetallation of complexes of the anti-cancer thiosemicarbazone, Dp4e4mT: effects on anti-proliferative efficacy, redox activity, oxy-myoglobin and oxy-hemoglobin oxidation.","Chemical science","2024","15","3","974","990","10.1039/d3sc05723b","","x-ray","1.54184","CuKα","","0.0934","0.0792","","","0.2323","0.2456","","","","","","1.042","","","","has coordinates","289425","2024-02-04","11:33:33",""
"1570567","10.0507","0.0003","10.5184","0.0003","17.5993","0.0004","73.219","0.002","81.923","0.002","69.997","0.003","1672.06","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H16 Cl N5 Pd S -","- C15 H16 Cl N5 Pd S -","- C60 H64 Cl4 N20 Pd4 S4 -","4","2","","Dharmasivam, Mahendiran; Kaya, Busra; Wijesinghe, Tharushi P.; Richardson, Vera; Harmer, Jeffrey R.; Gonzalvez, Miguel A.; Lewis, William; Azad, Mahan Gholam; Bernhardt, Paul V.; Richardson, Des R.","Differential transmetallation of complexes of the anti-cancer thiosemicarbazone, Dp4e4mT: effects on anti-proliferative efficacy, redox activity, oxy-myoglobin and oxy-hemoglobin oxidation.","Chemical science","2024","15","3","974","990","10.1039/d3sc05723b","","x-ray","1.54184","CuKα","","0.0343","0.0307","","","0.0803","0.083","","","","","","1.059","","","","has coordinates","289425","2024-02-04","11:33:33",""
"1570572","18.1753","0.0003","22.3961","0.0003","29.9843","0.0006","90","","90","","90","","12205.3","0.4","150","","150","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C59 H104 K La Si4 -","- C55.5 H100 K La Si4 -","- C444 H800 K8 La8 Si32 -","8","1","","Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W.","It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers.","Chemical science","2024","15","4","1338","1347","10.1039/d3sc03746k","","x-ray","0.71073","MoKα","","0.0509","0.0428","","","0.1151","0.1184","","","","","","1.039","","","","has coordinates,has disorder","289405","2024-02-04","11:29:31",""
"1570573","18.1753","0.0003","22.3961","0.0003","29.9843","0.0006","90","","90","","90","","12205.3","0.4","150","","150","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C55.5 H100 Ce K Si4 -","- C55.5 H100 Ce K Si4 -","- C444 H800 Ce8 K8 Si32 -","8","1","","Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W.","It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers.","Chemical science","2024","15","4","1338","1347","10.1039/d3sc03746k","","x-ray","0.71073","MoKα","","0.0338","0.0287","","","0.0665","0.0685","","","","","","1.026","","","","has coordinates,has disorder","289405","2024-02-04","11:29:32",""
"1570574","14.8785","0.0008","17.3956","0.0007","21.4878","0.0012","90","","97.196","0.004","90","","5517.7","0.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H96 K Nd Si4 -","- C52 H96 K Nd Si4 -","- C208 H384 K4 Nd4 Si16 -","4","1","","Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W.","It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers.","Chemical science","2024","15","4","1338","1347","10.1039/d3sc03746k","","x-ray","0.71073","MoKα","","0.1061","0.0555","","","0.1191","0.1452","","","","","","1.027","","","","has coordinates","289405","2024-02-04","11:29:32",""
"1570575","14.9492","0.0004","17.4712","0.0005","21.5754","0.0005","90","","97.134","0.002","90","","5591.4","0.3","180","","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H96 K La Si4 -","- C52 H96 K La Si4 -","- C208 H384 K4 La4 Si16 -","4","1","","Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W.","It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers.","Chemical science","2024","15","4","1338","1347","10.1039/d3sc03746k","","x-ray","0.71073","MoKα","","0.075","0.0433","","","0.0967","0.1079","","","","","","1.019","","","","has coordinates","289405","2024-02-04","11:29:32",""
"1570576","14.9574","0.0004","17.5114","0.0004","21.5769","0.0005","90","","97.154","0.002","90","","5607.5","0.2","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H96 K Pr Si4 -","- C52 H96 K Pr Si4 -","- C208 H384 K4 Pr4 Si16 -","4","1","","Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W.","It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers.","Chemical science","2024","15","4","1338","1347","10.1039/d3sc03746k","","x-ray","0.71073","MoKα","","0.0743","0.0393","","","0.0684","0.0792","","","","","","1.065","","","","has coordinates","289405","2024-02-04","11:29:32",""
"1570577","16.0025","0.0003","32.4257","0.0007","46.6302","0.0007","90","","90","","90","","24196.1","0.8","150","","150","","","","","","","","","5","F 2 d d","F -2d 2","43","","","","- C59 H104 Er K Si4 -","- C59 H104 Er K Si4 -","- C944 H1664 Er16 K16 Si64 -","16","1","","Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W.","It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers.","Chemical science","2024","15","4","1338","1347","10.1039/d3sc03746k","","x-ray","0.71073","MoKα","","0.0282","0.0239","","","0.0585","0.0592","","","","","","1.003","","","","has coordinates,has disorder","289405","2024-02-04","11:29:32",""
"1570578","21.4286","0.0005","15.456","0.0002","18.8223","0.0004","90","","102.374","0.002","90","","6089.1","0.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H101 Ce K O0.5 Si4 -","- C54 H101 Ce K O0.5 Si4 -","- C216 H404 Ce4 K4 O2 Si16 -","4","1","","Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W.","It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers.","Chemical science","2024","15","4","1338","1347","10.1039/d3sc03746k","","x-ray","0.71073","MoKα","","0.0493","0.0318","","","0.0806","0.0894","","","","","","1.04","","","","has coordinates","289405","2024-02-04","11:29:32",""
"1570579","14.843","0.002","17.3279","0.0017","21.557","0.002","90","","97.33","0.01","90","","5499.1","1.1","130","","130","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H96 K Lu Si4 -","- C52 H96 K Lu Si4 -","- C208 H384 K4 Lu4 Si16 -","4","1","","Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W.","It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers.","Chemical science","2024","15","4","1338","1347","10.1039/d3sc03746k","","x-ray","0.71073","MoKα","","0.0682","0.0327","","","0.0555","0.0602","","","","","","0.885","","","","has coordinates,has disorder","289405","2024-02-04","11:29:32",""
"1570580","14.8618","0.0009","17.3571","0.0008","21.5304","0.0017","90","","97.39","0.006","90","","5507.8","0.6","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H95 Er K Si4 -","- C52 H95 Er K Si4 -","- C208 H380 Er4 K4 Si16 -","4","1","","Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W.","It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers.","Chemical science","2024","15","4","1338","1347","10.1039/d3sc03746k","","x-ray","0.71073","MoKα","","0.0305","0.0226","","","0.0587","0.0604","","","","","","0.954","","","","has coordinates","289405","2024-02-04","11:29:32",""
"1570581","13.8875","0.0003","33.4663","0.0009","26.021","0.0006","90","","92.638","0.002","90","","12080.8","0.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C118 H208 K2 Pr2 Si8 -","- C118 H208 K2 Pr2 Si8 -","- C472 H832 K8 Pr8 Si32 -","4","1","","Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W.","It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers.","Chemical science","2024","15","4","1338","1347","10.1039/d3sc03746k","","x-ray","0.71073","MoKα","","0.1331","0.0695","","","0.1323","0.1549","","","","","","1.063","","","","has coordinates,has disorder","289405","2024-02-04","11:29:32",""
"1570582","21.8845","0.0002","22.1526","0.0003","49.1884","0.0004","91.508","0.001","101.282","0.001","118.372","0.001","20379","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C300 H449 Ag54 Br4 S30 -","- C300 H449 Ag54 Br4 S30 -","- C600 H898 Ag108 Br8 S60 -","2","1","","Li, Haoqi; Wei, Xiao; Kang, Xi; Zhu, Manzhou","Effects of bromine-containing counterion salts in directing the structures of medium-sized silver nanoclusters.","Nanoscale","2024","16","3","1254","1259","10.1039/d3nr05464k","","","1.54186","CuKα","","0.1006","0.0888","","","0.2453","0.2576","","","","","","1.028","","","","has coordinates,has disorder","289574","2024-02-04","12:18:50",""
"1570583","47.2631","0.0008","24.0336","0.0003","35.4451","0.0004","90","","90","","90","","40262.2","1","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C284 H391 Ag52 Br4 S30 -","- C284 H389 Ag52 Br4 S30 -","- C1136 H1556 Ag208 Br16 S120 -","4","0.5","","Li, Haoqi; Wei, Xiao; Kang, Xi; Zhu, Manzhou","Effects of bromine-containing counterion salts in directing the structures of medium-sized silver nanoclusters.","Nanoscale","2024","16","3","1254","1259","10.1039/d3nr05464k","","","1.54178","CuKα","","0.1502","0.1167","","","0.2971","0.322","","","","","","1.096","","","","has coordinates,has disorder","289574","2024-02-04","12:18:50",""
"1570584","38.512","0.0006","21.966","0.0004","49.9423","0.0009","90","","107.332","0.001","90","","40330.6","1.2","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C300 H446 Ag58 Br4 N2 O6 S30 -","- C300 H446 Ag58 Br4 N2 O6 S30 -","- C1200 H1784 Ag232 Br16 N8 O24 S120 -","4","0.5","","Li, Haoqi; Wei, Xiao; Kang, Xi; Zhu, Manzhou","Effects of bromine-containing counterion salts in directing the structures of medium-sized silver nanoclusters.","Nanoscale","2024","16","3","1254","1259","10.1039/d3nr05464k","","","1.54186","CuKα","","0.1261","0.0924","","","0.2564","0.2868","","","","","","0.986","","","","has coordinates,has disorder","289574","2024-02-04","12:18:50",""
"1570585","5.8943","0.0005","13.4561","0.0011","27.524","0.002","90","","90","","90","","2183","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 Cl N2 O3 -","- C26 H21 Cl N2 O3 -","- C104 H84 Cl4 N8 O12 -","4","1","","Formen, Jeffrey S. S. K.; Hassan, Diandra S.; Wolf, Christian","Chemometric sensing of stereoisomeric compound mixtures with a redox-responsive optical probe.","Chemical science","2024","15","4","1498","1504","10.1039/d3sc05706b","","","0.71073","MoKα","","0.0308","0.0262","","","0.0597","0.0617","","","","","","1.057","","","","has coordinates","289404","2024-02-04","11:27:50",""
"1570586","14.879","0.006","8.126","0.003","19.752","0.007","90","","99.543","0.012","90","","2355.1","1.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 N O3 S Se -","- C26 H25 N O3 S Se -","- C104 H100 N4 O12 S4 Se4 -","4","1","","Das, Kousik; Pedada, Abhilash; Singha, Tushar; Hari, Durga Prasad","Strain-enabled radical spirocyclization cascades: rapid access to spirocyclobutyl lactones and - lactams.","Chemical science","2024","15","9","3182","3191","10.1039/d3sc05700c","","","0.71076","MoKα","","0.1028","0.0759","","","0.156","0.1685","","","","","","1.122","","","","has coordinates","290137","2024-03-04","20:05:20",""
"1570587","6.1782","0.0002","11.4363","0.0004","31.3637","0.0009","90","","90","","90","","2216.03","0.12","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 Cl N O3 S -","- C26 H24 Cl N O3 S -","- C104 H96 Cl4 N4 O12 S4 -","4","1","","Das, Kousik; Pedada, Abhilash; Singha, Tushar; Hari, Durga Prasad","Strain-enabled radical spirocyclization cascades: rapid access to spirocyclobutyl lactones and - lactams.","Chemical science","2024","15","9","3182","3191","10.1039/d3sc05700c","","","0.71073","MoKα","","0.055","0.0525","","","0.1143","0.1157","","","","","","1.102","","","","has coordinates","290137","2024-03-04","20:05:20",""
"1570588","25.3","0.005","14.98","0.003","39.47","0.008","90","","95.44","0.03","90","","14892","5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15",";NdSc2N@Ih(7)-C80/NiOEP/Benzene;","","","- C128 H56 N5 Nd Ni Sc2 -","- C128 H56 N5 Nd Ni Sc2 -","- C1024 H448 N40 Nd8 Ni8 Sc16 -","8","1","","Yang, Wei; Rosenkranz, Marco; Velkos, Georgios; Ziegs, Frank; Dubrovin, Vasilii; Schiemenz, Sandra; Spree, Lukas; de Souza Barbosa, Matheus Felipe; Guillemard, Charles; Valvidares, Manuel; Büchner, Bernd; Liu, Fupin; Avdoshenko, Stanislav M.; Popov, Alexey A.","Covalency <i>versus</i> magnetic axiality in Nd molecular magnets: Nd-photoluminescence, strong ligand-field, and unprecedented nephelauxetic effect in fullerenes NdM<sub>2</sub>N@C<sub>80</sub> (M = Sc, Lu, Y).","Chemical science","2024","15","6","2141","2157","10.1039/d3sc05146c","","","0.82656","synchrotron","","0.0466","0.0457","","","0.1325","0.136","","","","","","1.035","","","","has coordinates","290124","2024-03-04","20:02:28",""
"1570589","8.4013","0.0003","12.0178","0.0004","11.5178","0.0005","90","","91.359","0.004","90","","1162.57","0.08","149.99","0.1","149.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Cesium tetraperoxovanadate","Cesium tetraperoxovanadate trihydrate","","- Cs3 O11 V -","- Cs3 O11 V -","- Cs12 O44 V4 -","4","1","","Ribó, Eduard Garrido; Mao, Zhiwei; Hirschi, Jacob S.; Linsday, Taylor; Bach, Karlie; Walter, Eric D.; Simons, Casey R.; Zuehlsdorff, Tim J.; Nyman, May","Implementing vanadium peroxides as direct air carbon capture materials.","Chemical science","2024","15","5","1700","1713","10.1039/d3sc05381d","","x-ray","0.71073","MoKα","","0.0419","0.032","","","0.0816","0.0853","","","","","","1.018","","","","has coordinates","289399","2024-02-04","11:27:10",""
"1570590","6.8447","0.0002","23.2894","0.0005","7.8276","0.0002","90","","112.399","0.003","90","","1153.65","0.06","229.99","0.1","230.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Rubidium tetraperoxovanadate","Rubidium tetraperoxovanadate dihydroperoxo hydrate","","- O13 Rb3 V -","- O13 Rb3 V -","- O52 Rb12 V4 -","4","1","","Ribó, Eduard Garrido; Mao, Zhiwei; Hirschi, Jacob S.; Linsday, Taylor; Bach, Karlie; Walter, Eric D.; Simons, Casey R.; Zuehlsdorff, Tim J.; Nyman, May","Implementing vanadium peroxides as direct air carbon capture materials.","Chemical science","2024","15","5","1700","1713","10.1039/d3sc05381d","","","1.54184","CuKα","","0.0583","0.0514","","","0.1382","0.1638","","","","","","1.117","","","","has coordinates","289399","2024-02-04","11:27:10",""
"1570591","10.3503","0.0002","8.7745","0.0002","14.9164","0.0003","90","","104.498","0.002","90","","1311.55","0.05","150","0.2","150","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H33 N3 O4 -","- C31 H33 N3 O4 -","- C62 H66 N6 O8 -","2","1","","Waly, Sara M. A.; Benniston, Andrew C.; Harriman, Anthony","Deducing the conformational space for an octa-proline helix.","Chemical science","2024","15","5","1657","1671","10.1039/d3sc05287g","","x-ray","1.54184","CuKα","","0.0345","0.0313","","","0.0775","0.0791","","","","","","1.067","","","","has coordinates","289401","2024-02-04","11:27:23",""
"1570592","8.6715","0.0001","9.651","0.0001","15.2097","0.0002","90","","90","","90","","1272.88","0.03","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 F2 -","- C17 H14 F2 -","- C68 H56 F8 -","4","1","","Chakrabarti, Kaushik; Wade Wolfe, Michael M.; Guo, Shuo; Tucker, Joseph W.; Lee, Jisun; Szymczak, Nathaniel K.","A metal-free strategy to construct fluoroalkyl-olefin linkages using fluoroalkanes.","Chemical science","2024","15","5","1752","1757","10.1039/d3sc05616c","","x-ray","1.54184","CuKα","","0.0396","0.0386","","","0.1027","0.1038","","","","","","1.081","","","","has coordinates","289402","2024-02-04","11:27:30",""
"1570594","15.4579","0.0002","15.5609","0.0003","15.5042","0.0003","90","","90","","90","","3729.36","0.11","300","1","300","1","","","","","","","","3","C c c a :2","-C 2a 2ac","68","","","","- Al22.53 Ru7 Si -","- Al22.532 Ru7 Si -","- Al180.256 Ru56 Si8 -","8","0.5","","Kitahara, Koichi; Takakura, Hiroyuki; Iwasaki, Yutaka; Kimura, Kaoru","Phase Equilibria in Aluminium–Ruthenium–Silicon System near 1200 Kelvin","Materials Transactions","2024","65","1","18","26","10.2320/matertrans.MT-M2023128","","x-ray","0.71073","MoKα","","0.0312","0.029","","","0.0827","0.084","","","","","","1.164","","","","has coordinates","288546","2023-12-25","02:20:37",""
"1570595","7.755","0.00004","7.755","0.00004","7.755","0.00004","90","","90","","90","","466.386","0.004","300","1","300","1","","","","","","","","3","P m -3","-P 2 2 3","200","","","","- Al22.43 Ru6.88 Si1.79 -","- Al22.432 Ru6.88 Si1.792 -","- Al22.432 Ru6.88 Si1.792 -","1","0.0416667","","Kitahara, Koichi; Takakura, Hiroyuki; Iwasaki, Yutaka; Kimura, Kaoru","Phase Equilibria in Aluminium–Ruthenium–Silicon System near 1200 Kelvin","Materials Transactions","2024","65","1","18","26","10.2320/matertrans.MT-M2023128","","x-ray","0.71073","MoKα","","0.0165","0.0161","","","0.0356","0.0357","","","","","","1.221","","","","has coordinates","288547","2023-12-25","02:20:55",""
"1570596","12.62636","0.00007","12.62636","0.00007","26.70599","0.00016","90","","90","","120","","3687.19","0.04","300","1","300","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Al85.85 Ru23 Si11.1 -","- Al85.856 Ru23 Si11.1 -","- Al171.712 Ru46 Si22.2 -","2","0.0833333","","Kitahara, Koichi; Takakura, Hiroyuki; Iwasaki, Yutaka; Kimura, Kaoru","Phase Equilibria in Aluminium–Ruthenium–Silicon System near 1200 Kelvin","Materials Transactions","2024","65","1","18","26","10.2320/matertrans.MT-M2023128","","x-ray","0.71073","MoKα","","0.0138","0.012","","","0.0246","0.025","","","","","","1.262","","","","has coordinates","288548","2023-12-25","02:21:24",""
"1570597","14.8784","0.0008","17.2401","0.0009","21.4396","0.0011","90.821","0.001","90.355","0.0009","98.1446","0.0009","5443.2","0.5","93","2","93","2","","","","","","","","9","P -1","-P 1","2","","[(TMTACN)Fe(II)-(OH)-Mn(III)poat]OTf","","- C52 H64 F3 Fe Mn N7 O7 P3 S -","- C52 H64 F3 Fe Mn N7 O7 P3 S -","- C208 H256 F12 Fe4 Mn4 N28 O28 P12 S4 -","4","2","","Lee, Justin L.; Biswas, Saborni; Ziller, Joseph W.; Bominaar, Emile L.; Hendrich, Michael P.; Borovik, A. S.","Accessing a synthetic Fe<sup>III</sup>Mn<sup>IV</sup> core to model biological heterobimetallic active sites.","Chemical science","2024","15","8","2817","2826","10.1039/d3sc04900k","","","0.71073","MoKα","","0.0881","0.0474","","","0.0855","0.0978","","","","","","1.001","","","","has coordinates,has disorder","290113","2024-03-04","19:58:52",""
"1570598","14.5521","0.0014","15.0662","0.0015","16.7358","0.0016","70.9679","0.0015","65.6681","0.0015","82.915","0.0016","3160.3","0.5","133","2","133","2","","","","","","","","10","P -1","-P 1","2","","[(TMTACN)Fe(III)-(O)-Mn(III)poat]OTf","","- C53.5 H66 Cl3 F3 Fe Mn N7 O7 P3 S -","- C53.5 H66 Cl3 F3 Fe Mn N7 O7 P3 S -","- C107 H132 Cl6 F6 Fe2 Mn2 N14 O14 P6 S2 -","2","1","","Lee, Justin L.; Biswas, Saborni; Ziller, Joseph W.; Bominaar, Emile L.; Hendrich, Michael P.; Borovik, A. S.","Accessing a synthetic Fe<sup>III</sup>Mn<sup>IV</sup> core to model biological heterobimetallic active sites.","Chemical science","2024","15","8","2817","2826","10.1039/d3sc04900k","","","0.71073","MoKα","","0.0967","0.0731","","","0.1859","0.2047","","","","","","1.046","","","","has coordinates,has disorder","290113","2024-03-04","19:58:52",""
"1570599","16.7414","0.0009","14.8414","0.0008","26.8159","0.0015","90","","92.1641","0.001","90","","6658.1","0.6","93","2","93","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","[(TMTACN)Fe(III)-(O)-Mn(III)poat](OTf)2","","- C54 H65 Cl3 F6 Fe Mn N7 O10 P3 S2 -","- C54 H65 Cl3 F6 Fe Mn N7 O10 P3 S2 -","- C216 H260 Cl12 F24 Fe4 Mn4 N28 O40 P12 S8 -","4","1","","Lee, Justin L.; Biswas, Saborni; Ziller, Joseph W.; Bominaar, Emile L.; Hendrich, Michael P.; Borovik, A. S.","Accessing a synthetic Fe<sup>III</sup>Mn<sup>IV</sup> core to model biological heterobimetallic active sites.","Chemical science","2024","15","8","2817","2826","10.1039/d3sc04900k","","","0.71073","MoKα","","0.0459","0.0344","","","0.0851","0.0914","","","","","","1.034","","","","has coordinates,has disorder","290113","2024-03-04","19:58:52",""
"1570601","14.7648","0.0005","11.9997","0.0005","9.965","0.0005","90","","90","","90","","1765.53","0.13","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H21 B Cl I O2 -","- C15 H21 B Cl I O2 -","- C60 H84 B4 Cl4 I4 O8 -","4","1","","Seidler, Gesa; Schwenzer, Max; Clausen, Florian; Daniliuc, Constantin G.; Studer, Armido","Borylative transition metal-free couplings of vinyl iodides with various nucleophiles, alkenes or alkynes.","Chemical science","2024","15","5","1672","1678","10.1039/d3sc06131k","","x-ray","0.71073","MoKα","","0.0284","0.0237","","","0.0432","0.0448","","","","","","1.055","","","","has coordinates,has disorder","289403","2024-02-04","11:27:43",""
"1570602","9.2744","0.0003","11.9893","0.0004","21.6544","0.0009","98.33","0.003","102.067","0.002","103.257","0.002","2244.36","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H33 B O2 Si -","- C21 H33 B O2 Si -","- C84 H132 B4 O8 Si4 -","4","2","","Seidler, Gesa; Schwenzer, Max; Clausen, Florian; Daniliuc, Constantin G.; Studer, Armido","Borylative transition metal-free couplings of vinyl iodides with various nucleophiles, alkenes or alkynes.","Chemical science","2024","15","5","1672","1678","10.1039/d3sc06131k","","x-ray","1.54178","CuKα","","0.0807","0.0522","","","0.1182","0.1342","","","","","","1.029","","","","has coordinates,has disorder","289403","2024-02-04","11:27:43",""
"1570603","6.3808","0.0007","12.5531","0.001","26.558","0.003","90","","91.822","0.008","90","","2126.2","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 B O4 -","- C23 H29 B O4 -","- C92 H116 B4 O16 -","4","1","","Seidler, Gesa; Schwenzer, Max; Clausen, Florian; Daniliuc, Constantin G.; Studer, Armido","Borylative transition metal-free couplings of vinyl iodides with various nucleophiles, alkenes or alkynes.","Chemical science","2024","15","5","1672","1678","10.1039/d3sc06131k","","x-ray","1.54178","CuKα","","0.1574","0.0903","","","0.2266","0.2777","","","","","","1.028","","","","has coordinates,has disorder","289403","2024-02-04","11:27:43",""
"1570604","12.9545","0.0005","20.8834","0.0008","16.8105","0.0007","90","","110.893","0.002","90","","4248.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 B O2 -","- C24 H31 B O2 -","- C192 H248 B8 O16 -","8","2","","Seidler, Gesa; Schwenzer, Max; Clausen, Florian; Daniliuc, Constantin G.; Studer, Armido","Borylative transition metal-free couplings of vinyl iodides with various nucleophiles, alkenes or alkynes.","Chemical science","2024","15","5","1672","1678","10.1039/d3sc06131k","","x-ray","1.54178","CuKα","","0.0638","0.0429","","","0.0948","0.1063","","","","","","1.028","","","","has coordinates","289403","2024-02-04","11:27:43",""
"1570605","11.8688","0.0002","17.6865","0.0003","12.6092","0.0003","90","","116.407","0.001","90","","2370.71","0.08","101","2","101","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H35 B O2 Si -","- C24 H35 B O2 Si -","- C96 H140 B4 O8 Si4 -","4","1","","Seidler, Gesa; Schwenzer, Max; Clausen, Florian; Daniliuc, Constantin G.; Studer, Armido","Borylative transition metal-free couplings of vinyl iodides with various nucleophiles, alkenes or alkynes.","Chemical science","2024","15","5","1672","1678","10.1039/d3sc06131k","","x-ray","1.54178","CuKα","","0.0586","0.0432","","","0.0994","0.1091","","","","","","1.034","","","","has coordinates","289403","2024-02-04","11:27:43",""
"1570606","9.8635","0.0005","11.6173","0.0006","12.5223","0.0007","100.723","0.003","106.987","0.003","111.523","0.003","1205.26","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H35 B Fe O2 -","- C27 H35 B Fe O2 -","- C54 H70 B2 Fe2 O4 -","2","1","","Seidler, Gesa; Schwenzer, Max; Clausen, Florian; Daniliuc, Constantin G.; Studer, Armido","Borylative transition metal-free couplings of vinyl iodides with various nucleophiles, alkenes or alkynes.","Chemical science","2024","15","5","1672","1678","10.1039/d3sc06131k","","x-ray","1.54178","CuKα","","0.0905","0.08","","","0.2113","0.2211","","","","","","1.065","","","","has coordinates,has disorder","289403","2024-02-04","11:27:43",""
"1570607","25","0.003","25","0.003","25","0.003","90","","90","","90","","15625","3","293","2","293","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Zeolite Y","","- Na0.23 O2.17 Si1.04 -","- Na0.234783 O2.17391 Si1.04348 -","- Na43.2 O400 Si192 -","184","0.958333","OF5002","Hogan-Lamarre, Pascal; Luo, Yi; Bücker, Robert; Miller, R. J. Dwayne; Zou, Xiaodong","STEM SerialED: achieving high-resolution data for ab initio structure determination of beam-sensitive nanocrystalline materials.","IUCrJ","2024","11","Pt 1","62","72","10.1107/S2052252523009661","","electron","0.0251","electron","","0.2498","0.22","","","0.4966","0.5144","","","","","","1.621","","","","has coordinates","294012","2024-08-06","22:09:24",""
"1570608","25","0.003","25","0.003","25","0.003","90","","90","","90","","15625","3","293","2","293","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Zeolite Y","","- Na21.6 O201.92 Si96 -","- Na21.6 O201.92 Si96 -","- Na43.2 O403.84 Si192 -","2","0.0104167","","Hogan-Lamarre, Pascal; Luo, Yi; Bücker, Robert; Miller, R. J. Dwayne; Zou, Xiaodong","STEM SerialED: achieving high-resolution data for ab initio structure determination of beam-sensitive nanocrystalline materials.","IUCrJ","2024","11","Pt 1","62","72","10.1107/S2052252523009661","","electron","0.0196","electron","","0.3127","0.301","","","0.6077","0.6136","","","","","","2.052","","","","has coordinates","294012","2024-08-06","22:09:24",""
"1570609","43.269","0.005","43.269","0.005","43.269","0.005","90","","90","","90","","81008","16","293","2","293","2","","","","","","","","3","I -4 3 m","I -4 2 3","217","","ZSM-25","","- Na156 O2880 Si1440 -","- Na156 O2880 Si1440 -","- Na156 O2880 Si1440 -","1","0.0208333","","Hogan-Lamarre, Pascal; Luo, Yi; Bücker, Robert; Miller, R. J. Dwayne; Zou, Xiaodong","STEM SerialED: achieving high-resolution data for ab initio structure determination of beam-sensitive nanocrystalline materials.","IUCrJ","2024","11","Pt 1","62","72","10.1107/S2052252523009661","","electron","0.0196","electron","","0.3351","0.2684","","","0.5468","0.5815","","","","","","1.566","","","","has coordinates","294012","2024-08-06","22:09:24",""
"1570610","16.3155","0.0003","16.3155","0.0003","29.6131","0.0005","90","","90","","120","","6826.8","0.2","200","0.1","199.99","0.1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C72 H109 Ag14 Cl O -","- C72 H108 Ag14 Cl -","- C216 H324 Ag42 Cl3 -","3","0.166667","","Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang","X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters.","Nanoscale","2024","16","5","2662","2671","10.1039/d3nr05409h","","","1.54184","CuKα","","0.0559","0.0495","","","0.1393","0.1438","","","","","","1.064","","","","has coordinates,has disorder","289573","2024-02-04","12:18:13",""
"1570611","16.3057","0.0004","16.3057","0.0004","29.6423","0.0007","90","","90","","120","","6825.3","0.3","199.99","0.1","199.99","0.1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C72 H109 Ag14 Cl O -","- C72 H108 Ag14 Cl -","- C216 H324 Ag42 Cl3 -","3","0.166667","","Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang","X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters.","Nanoscale","2024","16","5","2662","2671","10.1039/d3nr05409h","","","1.54184","CuKα","","0.1011","0.0856","","","0.2487","0.2612","","","","","","1.052","","","","has coordinates,has disorder","289573","2024-02-04","12:18:13",""
"1570612","16.3356","0.0008","16.3356","0.0008","29.4449","0.0014","90","","90","","120","","6804.7","0.6","200","0.1","200.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C72 H109 Ag14 Cl O -","- C70.29 H102.87 Ag14 Cl -","- C210.87 H308.61 Ag42 Cl3 -","3","0.166667","","Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang","X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters.","Nanoscale","2024","16","5","2662","2671","10.1039/d3nr05409h","","","0.71073","MoKα","","0.0701","0.0439","","","0.1284","0.1395","","","","","","1.043","","","","has coordinates,has disorder","289573","2024-02-04","12:18:13",""
"1570613","16.1523","0.0006","16.1523","0.0006","29.3979","0.0016","90","","90","","120","","6642.3","0.5","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","Ag14 II Ga 100K","","- C75 H118 Ag14 Cl O -","- C75 H118 Ag14 Cl O -","- C225 H354.001 Ag42 Cl3 O3 -","3","0.166667","","Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang","X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters.","Nanoscale","2024","16","5","2662","2671","10.1039/d3nr05409h","","","1.34139","GaKα","","0.0768","0.0662","","","0.1881","0.198","","","","","","1.049","","","","has coordinates,has disorder","289573","2024-02-04","12:18:13",""
"1570614","16.541","0.0009","16.541","0.0009","29.8249","0.0019","90","","90","","120","","7067","0.7","200.01","0.1","200.01","0.1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H108 Ag14 B Cl F4 -","- C72 H108 Ag14 Cl -","- C216 H324 Ag42 Cl3 -","3","0.166667","","Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang","X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters.","Nanoscale","2024","16","5","2662","2671","10.1039/d3nr05409h","","x-ray","0.71073","MoKα","","0.0698","0.0466","","","0.1364","0.148","","","","","","1.06","","","","has coordinates,has disorder","289573","2024-02-04","12:18:13",""
"1570615","16.438","0.003","16.438","0.003","29.9","0.007","90","","90","","120","","6997","2","302","","302","","","","","","","","","5","R -3 :H","-R 3","148","","AG14 II Ga 300K","","- C72 H109 Ag14 Cl O -","- C72 H109 Ag14 Cl O -","- C216 H327.001 Ag42 Cl3 O3 -","3","0.166667","","Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang","X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters.","Nanoscale","2024","16","5","2662","2671","10.1039/d3nr05409h","","","1.34139","GaKα","","0.0779","0.0671","","","0.1921","0.2031","","","","","","1.071","","","","has coordinates,has disorder","289573","2024-02-04","12:18:13",""
"1570616","21.8992","0.0008","21.8992","0.0008","15.485","0.0008","90","","90","","120","","6431.3","0.5","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C72 H109 Ag14 F O -","- C72 H108 Ag14 F -","- C216 H324 Ag42 F3 -","3","0.166667","","Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang","X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters.","Nanoscale","2024","16","5","2662","2671","10.1039/d3nr05409h","","","1.34139","GaKα","","0.0745","0.0501","","","0.132","0.1446","","","","","","1.07","","","","has coordinates,has disorder","289573","2024-02-04","12:18:13",""
"1570617","21.8873","0.0007","21.8873","0.0007","15.5998","0.0008","90","","90","","120","","6471.9","0.4","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C72 H109 Ag14 Cl O -","- C72 H108 Ag14 Cl -","- C216 H324 Ag42 Cl3 -","3","0.166667","","Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang","X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters.","Nanoscale","2024","16","5","2662","2671","10.1039/d3nr05409h","","","1.34139","GaKα","","0.1041","0.0969","","","0.2236","0.2266","","","","","","1.192","","","","has coordinates,has disorder","289573","2024-02-04","12:18:13",""
"1570618","21.96","0.0006","21.96","0.0006","15.4656","0.0007","90","","90","","120","","6459","0.4","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C72 H109 Ag14 Br O -","- C72 H108 Ag14 Br -","- C216 H324 Ag42 Br3 -","3","0.166667","","Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang","X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters.","Nanoscale","2024","16","5","2662","2671","10.1039/d3nr05409h","","","1.34139","GaKα","","0.0674","0.0496","","","0.1435","0.1528","","","","","","1.075","","","","has coordinates,has disorder","289573","2024-02-04","12:18:13",""
"1570619","13.155","0.003","12.7828","0.001","15.378","0.002","90","","100.227","0.013","90","","2544.8","0.7","298.14","","298.14","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3.39 H4.36 Mn0.12 N0.36 O0.24 -","- C3.39394 H4.36364 Mn0.121212 N0.363636 O0.242424 -","- C112 H144 Mn4 N12 O8 -","33","8.25","","Mahato, Samyadeb; VandeVen, Warren; MacNeil, Gregory A.; Pulfer, Jason M.; Storr, Tim","Untangling ancillary ligand donation <i>versus</i> locus of oxidation effects on metal nitride reactivity.","Chemical science","2024","15","6","2211","2220","10.1039/d3sc05403a","","","1.54178","CuKα","","0.0439","0.0361","","","0.0933","0.0971","","","","","","1.081","","","","has coordinates","290120","2024-03-04","20:00:27",""
"1570620","26.659","0.001","26.659","0.001","10.103","0.0004","90","","90","","120","","6218.3","0.4","298","2","298","2","","","","","","","","4","P -3 1 m","-P 3 2","162","Zr-BPT","","","- C60.33 H36.33 O64.66 Zr12 -","- C60.33 H36.33 O64.66 Zr12 -","- C120.66 H72.66 O129.32 Zr24 -","2","0.166667","","Shiraishi, Kyoko; Otsubo, Kazuya; Kato, Kenichi; Sadakiyo, Masaaki","A novel threefold interpenetrated zirconium metal-organic framework exhibiting separation ability for strong acids.","Chemical science","2024","15","4","1441","1448","10.1039/d3sc04171a","powder diffraction","","0.8001","synchrotronradiation","","0.02075","","","","","","0.02075","0.04695","2.8194","","","","","","","has coordinates","289411","2024-02-04","11:30:42",""
"1570621","22.8051","0.0003","22.8051","0.0003","8.2792","0.0002","90","","90","","90","","4305.78","0.13","293","2","293","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C29 H18 F3 N -","- C29 H18 F3 N -","- C232 H144 F24 N8 -","8","1","","Kato, Yugo; Nishimura, Kazutoshi; Nishii, Yuji; Hirano, Koji","Direct synthesis of spirobifluorenes by formal dehydrative coupling of biaryls and fluorenones.","Chemical science","2024","15","6","2112","2117","10.1039/d3sc05977d","","x-ray","1.54184","CuKα","","0.0997","0.0918","","","0.2877","0.2963","","","","","","1.098","","","","has coordinates,has disorder","290122","2024-03-04","20:01:30",""
"1570622","10.9754","0.0002","12.115","0.0004","12.3347","0.0003","116.431","0.003","95.048","0.002","94.47","0.002","1450.31","0.08","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H39 N -","- C38 H39 N -","- C76 H78 N2 -","2","1","","Kato, Yugo; Nishimura, Kazutoshi; Nishii, Yuji; Hirano, Koji","Direct synthesis of spirobifluorenes by formal dehydrative coupling of biaryls and fluorenones.","Chemical science","2024","15","6","2112","2117","10.1039/d3sc05977d","","x-ray","1.54184","CuKα","","0.0829","0.0723","","","0.204","0.2161","","","","","","1.066","","","","has coordinates,has disorder","290122","2024-03-04","20:01:30",""
"1570623","27.4355","0.0003","7.9543","0.0001","31.2422","0.0003","90","","91.937","0.001","90","","6814.1","0.13","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C94 H90 N2 -","- C94 H90 N2 -","- C376 H360 N8 -","4","1","","Kato, Yugo; Nishimura, Kazutoshi; Nishii, Yuji; Hirano, Koji","Direct synthesis of spirobifluorenes by formal dehydrative coupling of biaryls and fluorenones.","Chemical science","2024","15","6","2112","2117","10.1039/d3sc05977d","","x-ray","1.54184","CuKα","","0.059","0.0548","","","0.1401","0.1435","","","","","","1.032","","","","has coordinates,has disorder","290122","2024-03-04","20:01:30",""
"1570624","15.719","0.0003","8.3643","0.0001","33.8437","0.0005","90","","101.487","0.002","90","","4360.59","0.12","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C64 H42 N2 -","- C64 H42 N2 -","- C256 H168 N8 -","4","1","","Kato, Yugo; Nishimura, Kazutoshi; Nishii, Yuji; Hirano, Koji","Direct synthesis of spirobifluorenes by formal dehydrative coupling of biaryls and fluorenones.","Chemical science","2024","15","6","2112","2117","10.1039/d3sc05977d","","x-ray","1.54184","CuKα","","0.0752","0.0691","","","0.1621","0.1659","","","","","","1.134","","","","has coordinates,has disorder","290122","2024-03-04","20:01:30",""
"1570625","15.0249","0.0002","11.6534","0.0001","16.3566","0.0002","90","","97.312","0.001","90","","2840.61","0.06","263","2","263","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N0.5 -","- C18 H19 N0.5 -","- C144 H152 N4 -","8","2","","Kato, Yugo; Nishimura, Kazutoshi; Nishii, Yuji; Hirano, Koji","Direct synthesis of spirobifluorenes by formal dehydrative coupling of biaryls and fluorenones.","Chemical science","2024","15","6","2112","2117","10.1039/d3sc05977d","","x-ray","1.54184","CuKα","","0.0581","0.053","","","0.1437","0.15","","","","","","1.061","","","","has coordinates,has disorder","290122","2024-03-04","20:01:30",""
"1570626","12.0253","0.0005","14.285","0.0008","15.2395","0.0006","63.792","0.005","67.462","0.004","77.789","0.004","2166.5","0.2","273","2","273","2","","","","","","","","2","P -1","-P 1","2","","","","- C52 H42 -","- C52 H42 -","- C104 H84 -","2","1","","Kato, Yugo; Nishimura, Kazutoshi; Nishii, Yuji; Hirano, Koji","Direct synthesis of spirobifluorenes by formal dehydrative coupling of biaryls and fluorenones.","Chemical science","2024","15","6","2112","2117","10.1039/d3sc05977d","","x-ray","1.54184","CuKα","","0.0649","0.0539","","","0.1612","0.1699","","","","","","1.052","","","","has coordinates,has disorder","290122","2024-03-04","20:01:30",""
"1570627","10.381","0.0001","14.348","0.0002","15.6103","0.0001","94.929","0.001","102.901","0.001","107.046","0.001","2138.07","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H45 Cl2 N -","- C58 H45 Cl2 N -","- C116 H90 Cl4 N2 -","2","1","","Kato, Yugo; Nishimura, Kazutoshi; Nishii, Yuji; Hirano, Koji","Direct synthesis of spirobifluorenes by formal dehydrative coupling of biaryls and fluorenones.","Chemical science","2024","15","6","2112","2117","10.1039/d3sc05977d","","x-ray","1.54184","CuKα","","0.0439","0.0396","","","0.1069","0.1104","","","","","","1.069","","","","has coordinates,has disorder","290122","2024-03-04","20:01:30",""
"1570628","12.2354","0.0004","14.2615","0.0004","20.8253","0.0006","90","","98.248","0.003","90","","3596.33","0.19","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H26 Cl6 S -","- C44 H26 Cl6 S -","- C176 H104 Cl24 S4 -","4","1","","Kato, Yugo; Nishimura, Kazutoshi; Nishii, Yuji; Hirano, Koji","Direct synthesis of spirobifluorenes by formal dehydrative coupling of biaryls and fluorenones.","Chemical science","2024","15","6","2112","2117","10.1039/d3sc05977d","","x-ray","0.71073","MoKα","","0.0759","0.0564","","","0.1565","0.1728","","","","","","1.054","","","","has coordinates","290122","2024-03-04","20:01:30",""
"1570629","22.0314","0.0004","12.4409","0.0002","26.6247","0.0004","90","","112.159","0.002","90","","6758.6","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C84 H92 S2 -","- C84 H92 S2 -","- C336 H368 S8 -","4","1","","Kato, Yugo; Nishimura, Kazutoshi; Nishii, Yuji; Hirano, Koji","Direct synthesis of spirobifluorenes by formal dehydrative coupling of biaryls and fluorenones.","Chemical science","2024","15","6","2112","2117","10.1039/d3sc05977d","","x-ray","1.54184","CuKα","","0.1079","0.0946","","","0.2904","0.3334","","","","","","1.384","","","","has coordinates,has disorder","290122","2024-03-04","20:01:30",""
"1570630","5.23281","0.00004","11.33461","0.00009","22.611","0.0002","90","","90","","90","","1341.1","0.019","150.01","0.1","150.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","","Obieta, Maria; Urgoitia, Garazi; Herrero, María Teresa; SanMartin, Raul","Efficient iron-catalyzed direct acylation of amines with carboxylic acids and esters under oxygenated conditions","Catalysis Science & Technology","2024","14","2","478","488","10.1039/D3CY01429K","","x-ray","1.54184","CuKα","","0.0286","0.0281","","","0.0721","0.0725","","","","","","1.075","","","","has coordinates","289313","2024-02-04","10:58:23",""
"1570631","5.4042","0.0001","22.6075","0.0004","23.7568","0.0004","90","","95.144","0.002","90","","2890.81","0.09","170","0.1","170","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C136 H152 N8 O16 -","8","4","","Obieta, Maria; Urgoitia, Garazi; Herrero, María Teresa; SanMartin, Raul","Efficient iron-catalyzed direct acylation of amines with carboxylic acids and esters under oxygenated conditions","Catalysis Science & Technology","2024","14","2","478","488","10.1039/D3CY01429K","","x-ray","1.54184","CuKα","","0.0704","0.0601","","","0.1633","0.1738","","","","","","1.131","","","","has coordinates,has disorder","289313","2024-02-04","10:58:23",""
"1570632","10.65","0.0004","11.2963","0.0004","15.0976","0.0005","111.368","0.003","93.137","0.003","92.33","0.003","1685.35","0.11","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C39 H41 Cu Ge N2 -","- C39 H41 Cu Ge N2 -","- C78 H82 Cu2 Ge2 N4 -","2","1","","Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J.","The structures and reactivity of NHC-supported copper(i) triphenylgermyls","Chemical Science","2024","15","2","584","593","10.1039/D3SC05862J","","x-ray","0.71073","MoKα","","0.0437","0.0328","","","0.0795","0.0853","","","","","","1.04","","","","has coordinates","288659","2024-01-03","23:19:29",""
"1570633","8.9616","0.0001","19.7494","0.0001","20.04","0.0002","90","","100.99","0.001","90","","3481.76","0.06","150","0.1","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H43 Cu Ge N2 -","- C40 H43 Cu Ge N2 -","- C160 H172 Cu4 Ge4 N8 -","4","1","","Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J.","The structures and reactivity of NHC-supported copper(i) triphenylgermyls","Chemical Science","2024","15","2","584","593","10.1039/D3SC05862J","","","1.54184","CuKα","","0.0284","0.027","","","0.0722","0.0733","","","","","","1.082","","","","has coordinates","288659","2024-01-03","23:19:30",""
"1570634","16.2264","0.0003","10.8168","0.0003","20.4792","0.0007","90","","90","","90","","3594.46","0.17","150.01","0.1","150.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C40 H46 Cu N3 O -","- C40 H46 Cu N3 O -","- C160 H184 Cu4 N12 O4 -","4","1","","Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J.","The structures and reactivity of NHC-supported copper(i) triphenylgermyls","Chemical Science","2024","15","2","584","593","10.1039/D3SC05862J","","","1.54184","CuKα","","0.0615","0.0522","","","0.1377","0.1468","","","","","","1.045","","","","has coordinates,has disorder","288659","2024-01-03","23:19:31",""
"1570635","13.1905","0.0005","18.6418","0.0007","20.1369","0.001","66.024","0.004","81.401","0.003","69.363","0.004","4233.9","0.4","150.01","0.1","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C92 H102 Cu2 Ge2 N4 S4 -","- C92 H102 Cu2 Ge2 N4 S4 -","- C184 H204 Cu4 Ge4 N8 S8 -","2","1","","Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J.","The structures and reactivity of NHC-supported copper(i) triphenylgermyls","Chemical Science","2024","15","2","584","593","10.1039/D3SC05862J","","","1.54184","CuKα","","0.0469","0.0383","","","0.0923","0.0978","","","","","","1.015","","","","has coordinates,has disorder","288659","2024-01-03","23:19:31",""
"1570636","10.22373","0.00004","20.07164","0.00009","22.27774","0.00011","90","","98.8634","0.0004","90","","4516.96","0.04","150","0.1","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H60 Cu Ge N3 S -","- C50 H60 Cu Ge N3 S -","- C200 H240 Cu4 Ge4 N12 S4 -","4","1","","Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J.","The structures and reactivity of NHC-supported copper(i) triphenylgermyls","Chemical Science","2024","15","2","584","593","10.1039/D3SC05862J","","","1.54184","CuKα","","0.0295","0.0289","","","0.074","0.0745","","","","","","1.058","","","","has coordinates,has disorder","288659","2024-01-03","23:19:31",""
"1570637","12.3095","0.0002","19.8911","0.0003","18.5854","0.0004","90","","91.1959","0.0018","90","","4549.63","0.14","150","0.7","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H57 Cu Ge N2 -","- C53 H57 Cu Ge N2 -","- C212 H228 Cu4 Ge4 N8 -","4","1","","Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J.","The structures and reactivity of NHC-supported copper(i) triphenylgermyls","Chemical Science","2024","15","2","584","593","10.1039/D3SC05862J","","","0.71073","MoKα","","0.095","0.0531","","","0.1142","0.129","","","","","","1.098","","","","has coordinates","288659","2024-01-03","23:19:31",""
"1570638","11.0264","0.0001","19.2655","0.0003","20.3965","0.0003","86.283","0.001","77.281","0.001","73.472","0.001","4051.84","0.1","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C90 H102 Cu2 Ge2 N4 -","- C90 H102 Cu2 Ge2 N4 -","- C180 H204 Cu4 Ge4 N8 -","2","1","","Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J.","The structures and reactivity of NHC-supported copper(i) triphenylgermyls","Chemical Science","2024","15","2","584","593","10.1039/D3SC05862J","","","1.54184","CuKα","","0.0372","0.0348","","","0.0925","0.0943","","","","","","1.065","","","","has coordinates,has disorder","288659","2024-01-03","23:19:31",""
"1570639","14.9501","0.0003","19.7103","0.0003","16.1176","0.0003","90","","105.269","0.002","90","","4581.74","0.15","150","0.7","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H57 Cu Ge N2 -","- C53 H57 Cu Ge N2 -","- C212 H228 Cu4 Ge4 N8 -","4","1","","Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J.","The structures and reactivity of NHC-supported copper(i) triphenylgermyls","Chemical Science","2024","15","2","584","593","10.1039/D3SC05862J","","","0.71073","MoKα","","0.051","0.0323","","","0.0711","0.0798","","","","","","1.023","","","","has coordinates","288659","2024-01-03","23:19:31",""
"1570640","11.48162","0.00007","30.4535","0.0002","14.25277","0.00012","90","","94.8925","0.0007","90","","4965.4","0.06","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H57 Cu Ge N4 O2 -","- C59 H57 Cu Ge N4 O2 -","- C236 H228 Cu4 Ge4 N16 O8 -","4","1","","Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J.","The structures and reactivity of NHC-supported copper(i) triphenylgermyls","Chemical Science","2024","15","2","584","593","10.1039/D3SC05862J","","","1.54184","CuKα","","0.0545","0.0512","","","0.1262","0.128","","","","","","1.163","","","","has coordinates","288659","2024-01-03","23:19:32",""
"1570641","12.0126","0.0001","17.1438","0.0001","19.7933","0.0001","90","","90","","90","","4076.26","0.05","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H55 Cu Ge N2 -","- C46 H55 Cu Ge N2 -","- C184 H220 Cu4 Ge4 N8 -","4","1","","Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J.","The structures and reactivity of NHC-supported copper(i) triphenylgermyls","Chemical Science","2024","15","2","584","593","10.1039/D3SC05862J","","x-ray","1.54184","CuKα","","0.0566","0.0564","","","0.1432","0.1433","","","","","","1.121","","","","has coordinates,has disorder","288659","2024-01-03","23:19:32",""
"1570642","9.0139","0.0015","14.186","0.002","8.9545","0.0014","90","","90.487","0.007","90","","1145","0.3","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 O12 Ti2 -","- C20 H26 O12 Ti2 -","- C40 H52 O24 Ti4 -","2","0.5","","Hou, Jinle; Huang, Nahui; Acharya, Dinesh; Liu, Yuxin; Zhu, Jiaying; Teng, Jiaxin; Wang, Zhi; Qu, Konggang; Zhang, Xianxi; Sun, Di","All-catecholate-stabilized black titanium-oxo clusters for efficient photothermal conversion.","Chemical science","2024","15","7","2655","2664","10.1039/d3sc05617a","","","1.54178","CuKα","","0.0472","0.0448","","","0.1198","0.1218","","","","","","1.092","","","","has coordinates","290128","2024-03-04","20:03:19",""
"1570643","15.114","0.004","16.444","0.005","17.284","0.005","63.041","0.009","64.513","0.013","71.596","0.009","3417.2","1.7","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C134 H100 O58 Ti16 -","- C134 H100 O58 Ti16 -","- C134 H100 O58 Ti16 -","1","0.5","","Hou, Jinle; Huang, Nahui; Acharya, Dinesh; Liu, Yuxin; Zhu, Jiaying; Teng, Jiaxin; Wang, Zhi; Qu, Konggang; Zhang, Xianxi; Sun, Di","All-catecholate-stabilized black titanium-oxo clusters for efficient photothermal conversion.","Chemical science","2024","15","7","2655","2664","10.1039/d3sc05617a","","","1.54178","CuKα","","0.1185","0.0737","","","0.1865","0.2212","","","","","","1.05","","","","has coordinates","290128","2024-03-04","20:03:20",""
"1570644","16.79","0.003","16.977","0.003","17.003","0.003","113.206","0.007","113.379","0.006","98.474","0.007","3814.6","1.3","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C154 H136 O56 Ti16 -","- C154 H136 O56 Ti16 -","- C154 H136 O56 Ti16 -","1","0.5","","Hou, Jinle; Huang, Nahui; Acharya, Dinesh; Liu, Yuxin; Zhu, Jiaying; Teng, Jiaxin; Wang, Zhi; Qu, Konggang; Zhang, Xianxi; Sun, Di","All-catecholate-stabilized black titanium-oxo clusters for efficient photothermal conversion.","Chemical science","2024","15","7","2655","2664","10.1039/d3sc05617a","","","1.54178","CuKα","","0.1346","0.0894","","","0.2563","0.2961","","","","","","1.039","","","","has coordinates","290128","2024-03-04","20:03:20",""
"1570645","13.7327","0.0007","14.2235","0.0007","23.4194","0.0012","87.685","0.002","89.986","0.002","66.441","0.002","4189.1","0.4","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C72 H79 O29 Ti8 -","- C72 H79 O29 Ti8 -","- C144 H158 O58 Ti16 -","2","1","","Hou, Jinle; Huang, Nahui; Acharya, Dinesh; Liu, Yuxin; Zhu, Jiaying; Teng, Jiaxin; Wang, Zhi; Qu, Konggang; Zhang, Xianxi; Sun, Di","All-catecholate-stabilized black titanium-oxo clusters for efficient photothermal conversion.","Chemical science","2024","15","7","2655","2664","10.1039/d3sc05617a","","","0.71073","MoKα","","0.0502","0.0414","","","0.1073","0.1147","","","","","","1.046","","","","has coordinates,has disorder","290128","2024-03-04","20:03:20",""
"1570646","9.774","0.01","14.769","0.014","18.881","0.019","95.08","0.03","95.96","0.04","92.17","0.03","2697","5","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H13 F25 N4 O S2 -","- C59 H13 F25 N4 O S2 -","- C118 H26 F50 N8 O2 S4 -","2","1","","Sun, Meng; Xie, Yongshu; Baryshnikov, Glib; Li, Chengjie; Sha, Feng; Wu, Xinyan; Ågren, Hans; Li, Shijun; Li, Qizhao","Mono- and bis-Pd(ii) complexes of N-confused dithiahexaphyrin(1.1.1.1.1.0) with the absorption and aromaticity modulated by Pd(ii) coordination, macrocycle contraction and ancillary ligands.","Chemical science","2024","15","6","2047","2054","10.1039/d3sc05473j","","","0.71073","MoKα","","0.2084","0.1215","","","0.3026","0.3407","","","","","","1.086","","","","has coordinates","290123","2024-03-04","20:02:13",""
"1570647","16.9156","0.0014","17.3251","0.0016","19.0029","0.0017","70.416","0.003","65.162","0.002","76.985","0.003","4738.3","0.7","213","","213","","","","","","","","","9","P -1","-P 1","2","","","","- C77 H27 Cl F25 N4 O P Pd S2 -","- C77 H27 Cl F25 N4 O P Pd S2 -","- C154 H54 Cl2 F50 N8 O2 P2 Pd2 S4 -","2","1","","Sun, Meng; Xie, Yongshu; Baryshnikov, Glib; Li, Chengjie; Sha, Feng; Wu, Xinyan; Ågren, Hans; Li, Shijun; Li, Qizhao","Mono- and bis-Pd(ii) complexes of N-confused dithiahexaphyrin(1.1.1.1.1.0) with the absorption and aromaticity modulated by Pd(ii) coordination, macrocycle contraction and ancillary ligands.","Chemical science","2024","15","6","2047","2054","10.1039/d3sc05473j","","","0.71073","MoKα","","0.0575","0.0471","","","0.144","0.1539","","","","","","1.028","","","","has coordinates","290123","2024-03-04","20:02:14",""
"1570648","12.633","0.002","16.87","0.003","18.51","0.003","113.418","0.004","96.893","0.004","108.505","0.004","3292.5","1","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H11 F25 N4 O Pd S2 -","- C59 H11 F25 N4 O Pd S2 -","- C118 H22 F50 N8 O2 Pd2 S4 -","2","1","","Sun, Meng; Xie, Yongshu; Baryshnikov, Glib; Li, Chengjie; Sha, Feng; Wu, Xinyan; Ågren, Hans; Li, Shijun; Li, Qizhao","Mono- and bis-Pd(ii) complexes of N-confused dithiahexaphyrin(1.1.1.1.1.0) with the absorption and aromaticity modulated by Pd(ii) coordination, macrocycle contraction and ancillary ligands.","Chemical science","2024","15","6","2047","2054","10.1039/d3sc05473j","","","0.71073","MoKα","","0.1102","0.0708","","","0.1827","0.2058","","","","","","0.977","","","","has coordinates","290123","2024-03-04","20:02:14",""
"1570649","17.633","0.003","18.145","0.003","19.027","0.003","104.695","0.004","103.672","0.005","112.112","0.004","5067.6","1.5","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H12 F20 N4 O Pd S2 -","- C52 H12 F20 N4 O Pd S2 -","- C208 H48 F80 N16 O4 Pd4 S8 -","4","2","","Sun, Meng; Xie, Yongshu; Baryshnikov, Glib; Li, Chengjie; Sha, Feng; Wu, Xinyan; Ågren, Hans; Li, Shijun; Li, Qizhao","Mono- and bis-Pd(ii) complexes of N-confused dithiahexaphyrin(1.1.1.1.1.0) with the absorption and aromaticity modulated by Pd(ii) coordination, macrocycle contraction and ancillary ligands.","Chemical science","2024","15","6","2047","2054","10.1039/d3sc05473j","","","0.71073","MoKα","","0.0919","0.0685","","","0.2122","0.2321","","","","","","1.031","","","","has coordinates","290123","2024-03-04","20:02:14",""
"1570650","14.977","0.002","16.782","0.002","16.991","0.002","106.814","0.004","90.699","0.005","107.905","0.004","3866","0.8","213","2","213.15","","","","","","","","","8","P -1","-P 1","2","","","","- C87 H36 F25 N6 O P Pd2 S2 -","- C87 H36 F25 N6 O P Pd2 S2 -","- C174 H72 F50 N12 O2 P2 Pd4 S4 -","2","1","","Sun, Meng; Xie, Yongshu; Baryshnikov, Glib; Li, Chengjie; Sha, Feng; Wu, Xinyan; Ågren, Hans; Li, Shijun; Li, Qizhao","Mono- and bis-Pd(ii) complexes of N-confused dithiahexaphyrin(1.1.1.1.1.0) with the absorption and aromaticity modulated by Pd(ii) coordination, macrocycle contraction and ancillary ligands.","Chemical science","2024","15","6","2047","2054","10.1039/d3sc05473j","","","0.71073","MoKα","","0.089","0.0651","","","0.1592","0.1715","","","","","","1.0337","","","","has coordinates","290123","2024-03-04","20:02:14",""
"1570693","9.8733","0.0009","11.5417","0.001","17.0581","0.0017","90","","95.13","0.009","90","","1936.1","0.3","169.99","0.1","169.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 B F N O2 -","- C22 H23 B F N O2 -","- C88 H92 B4 F4 N4 O8 -","4","1","","Chen, Zunsheng; Nie, Biao; Li, Xiaoning; Liu, Teng; Li, Chunsheng; Huang, Jiuzhong","Ligand-controlled regiodivergent Ni-catalyzed <i>trans</i>-hydroboration/carboboration of internal alkynes with B<sub>2</sub>pin<sub>2</sub>.","Chemical science","2024","15","6","2236","2242","10.1039/d3sc04184k","","x-ray","0.71073","MoKα","","0.0627","0.0475","","","0.1094","0.1198","","","","","","1.045","","","","has coordinates","290125","2024-03-04","20:02:40",""
"1570694","7.0732","0.0003","12.8154","0.0005","12.8838","0.0005","109.101","0.004","103.862","0.004","102.475","0.004","1014.75","0.09","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C23 H26 B N O2 -","- C23 H26 B N O2 -","- C46 H52 B2 N2 O4 -","2","1","","Chen, Zunsheng; Nie, Biao; Li, Xiaoning; Liu, Teng; Li, Chunsheng; Huang, Jiuzhong","Ligand-controlled regiodivergent Ni-catalyzed <i>trans</i>-hydroboration/carboboration of internal alkynes with B<sub>2</sub>pin<sub>2</sub>.","Chemical science","2024","15","6","2236","2242","10.1039/d3sc04184k","","x-ray","1.54184","CuKα","","0.0884","0.0838","","","0.2317","0.2377","","","","","","1.037","","","","has coordinates","290125","2024-03-04","20:02:40",""
"1570695","14.9832","0.0005","9.6904","0.0004","13.4858","0.0004","90","","100.376","0.003","90","","1926.03","0.12","166","20","166","20","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 B N O2 -","- C20 H28 B N O2 -","- C80 H112 B4 N4 O8 -","4","1","","Chen, Zunsheng; Nie, Biao; Li, Xiaoning; Liu, Teng; Li, Chunsheng; Huang, Jiuzhong","Ligand-controlled regiodivergent Ni-catalyzed <i>trans</i>-hydroboration/carboboration of internal alkynes with B<sub>2</sub>pin<sub>2</sub>.","Chemical science","2024","15","6","2236","2242","10.1039/d3sc04184k","","x-ray","1.54184","CuKα","","0.0795","0.0634","","","0.1697","0.1779","","","","","","1.086","","","","has coordinates","290125","2024-03-04","20:02:40",""
"1570696","10.1597","0.0002","10.2937","0.0002","11.2498","0.0003","79.933","0.002","89.723","0.002","76.12","0.002","1123.73","0.04","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 B N O2 -","- C22 H24 B N O2 -","- C44 H48 B2 N2 O4 -","2","1","","Chen, Zunsheng; Nie, Biao; Li, Xiaoning; Liu, Teng; Li, Chunsheng; Huang, Jiuzhong","Ligand-controlled regiodivergent Ni-catalyzed <i>trans</i>-hydroboration/carboboration of internal alkynes with B<sub>2</sub>pin<sub>2</sub>.","Chemical science","2024","15","6","2236","2242","10.1039/d3sc04184k","","x-ray","1.54184","CuKα","","0.0665","0.0649","","","0.1629","0.1641","","","","","","1.065","","","","has coordinates","290125","2024-03-04","20:02:40",""
"1570697","9.6547","0.001","10.2621","0.0013","10.6861","0.0015","102.169","0.011","105.217","0.01","103.684","0.01","949.7","0.2","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 B N O2 -","- C22 H24 B N O2 -","- C44 H48 B2 N2 O4 -","2","1","","Chen, Zunsheng; Nie, Biao; Li, Xiaoning; Liu, Teng; Li, Chunsheng; Huang, Jiuzhong","Ligand-controlled regiodivergent Ni-catalyzed <i>trans</i>-hydroboration/carboboration of internal alkynes with B<sub>2</sub>pin<sub>2</sub>.","Chemical science","2024","15","6","2236","2242","10.1039/d3sc04184k","","x-ray","0.71073","MoKα","","0.0626","0.0498","","","0.1141","0.1232","","","","","","1.076","","","","has coordinates","290125","2024-03-04","20:02:40",""
"1570698","14.9152","0.0016","9.8681","0.0009","18.7455","0.0019","90","","111.468","0.004","90","","2567.6","0.5","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H27 F2 N3 O -","- C32 H27 F2 N3 O -","- C128 H108 F8 N12 O4 -","4","1","","Jiang, Yonggang; Liu, Dongxiang; Zhang, Lening; Qin, Cuirong; Li, Hui; Yang, Haitao; Walsh, Patrick J.; Yang, Xiaodong","Efficient construction of functionalized pyrroloindolines through cascade radical cyclization/intermolecular coupling.","Chemical science","2024","15","6","2205","2210","10.1039/d3sc05210a","","x-ray","0.71073","MoKα","","0.064","0.0503","","","0.1114","0.1184","","","","","","1.075","","","","has coordinates","290121","2024-03-04","20:00:39",""
"1570699","10.1447","0.0005","26.4984","0.0013","10.7233","0.0004","90","","106.691","0.002","90","","2761.2","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H31 F2 N3 O2 -","- C33 H31 F2 N3 O2 -","- C132 H124 F8 N12 O8 -","4","1","","Jiang, Yonggang; Liu, Dongxiang; Zhang, Lening; Qin, Cuirong; Li, Hui; Yang, Haitao; Walsh, Patrick J.; Yang, Xiaodong","Efficient construction of functionalized pyrroloindolines through cascade radical cyclization/intermolecular coupling.","Chemical science","2024","15","6","2205","2210","10.1039/d3sc05210a","","x-ray","0.71073","MoKα","","0.0721","0.0477","","","0.0987","0.1112","","","","","","1.047","","","","has coordinates","290121","2024-03-04","20:00:48",""
"1570700","32.828","0.003","32.828","0.003","17.2912","0.0017","90","","90","","90","","18634","3","170","","170","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C19 H26 N Ni O -","- C19 H26 N Ni O -","- C608 H832 N32 Ni32 O32 -","32","2","","Tian, Wanlu; Li, Chao; Tan, Chen; Chen, Min","Lewis acid-induced homo- and heterogeneous nickel catalysts for ethylene polymerization and copolymerization with polar monomers","Polymer Chemistry","2024","15","7","631","638","10.1039/D3PY01266B","","","0.71073","MoKα","","0.1118","0.0761","","","0.1774","0.1992","","","","","","1.015","","","","has coordinates,has disorder","290285","2024-03-04","20:46:43",""
"1570701","20.652","0.0017","4.902","0.0014","21.645","0.0014","90","","109.11","0.011","90","","2070.5","0.6","100","2","100","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C34 H19 B -","- C34 H19 B -","- C136 H76 B4 -","4","1","","Schnitzlein, Matthias; Shoyama, Kazutaka; Würthner, Frank","A highly fluorescent bora[6]helicene exhibiting circularly polarized light emission.","Chemical science","2024","15","8","2984","2989","10.1039/d3sc05171d","","","0.61992","synchrotron","","0.0794","0.0738","","","0.2748","0.2818","","","","","","1.164","","","","has coordinates","290114","2024-03-04","19:59:06",""
"1570702","34.63","0.0019","34.63","0.0019","4.803","0.0004","90","","90","","120","","4988.2","0.6","100","2","100","2","","","","","","","","3","R 3 :H","R 3","146","","","","- C34 H19 B -","- C34 H19 B -","- C306 H171 B9 -","9","1","","Schnitzlein, Matthias; Shoyama, Kazutaka; Würthner, Frank","A highly fluorescent bora[6]helicene exhibiting circularly polarized light emission.","Chemical science","2024","15","8","2984","2989","10.1039/d3sc05171d","","","0.6199","synchrotron","","0.0523","0.0474","","","0.1249","0.1291","","","","","","1.068","","","","has coordinates","290114","2024-03-04","19:59:06",""
"1570703","26.86","0.02","14.399","0.015","16.935","0.017","90","","106.99","0.11","90","","6264","11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C88 H64 B N3 O4 -","- C88 H64 B N3 O4 -","- C352 H256 B4 N12 O16 -","4","1","","Schnitzlein, Matthias; Shoyama, Kazutaka; Würthner, Frank","A highly fluorescent bora[6]helicene exhibiting circularly polarized light emission.","Chemical science","2024","15","8","2984","2989","10.1039/d3sc05171d","","","0.6199","synchrotron","","0.3558","0.1427","","","0.3528","0.4546","","","","","","1.179","","","","has coordinates","290114","2024-03-04","19:59:06",""
"1570704","13.6947","0.0012","23.467","0.002","5.2287","0.0006","90","","90","","90","","1680.4","0.3","100","0.5","100","0.5","","","","","","","","4","P 21 21 2","P 2 2ab","18","","5,6-Dimethylbenzo[<i>d</i>][1,3]oxatellurole","","- C9 H10 O Te -","- C9 H10 O Te -","- C72 H80 O8 Te8 -","8","2","HB4459","Ponzo, Samantha; Turner, Alanna; Fronczek, Frank R.; Junk, Thomas","5,6-Dimethylbenzo[d][1,3]oxatellurole","IUCrData","2024","9","1","","","10.1107/S2414314623010763","","","0.56086","AgKα","","0.0424","0.033","","","0.0585","0.0609","","","","","","1.054","","","","has coordinates","288715","2024-01-06","02:46:18",""
"1570705","10.9589","0.0004","9.328","0.0004","12.7255","0.0006","90","","90","","90","","1300.86","0.1","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","<i>rac</i>-Hydroxyisovaleric acid","<i>rac</i>-2-Hydroxy-3-methylbutanoic acid","","- C5 H10 O3 -","- C5 H10 O3 -","- C40 H80 O24 -","8","1","BT4145","Dasi, Lukhanyo; Hosten, Eric Cyriel; Betz, Richard","rac-Hydroxyisovaleric acid","IUCrData","2024","9","1","","","10.1107/S2414314623010933","","","0.71073","MoKα","","0.0425","0.0354","","","0.1011","0.1069","","","","","","1.049","","","","has coordinates","288716","2024-01-06","02:46:42",""
"1570723","3.8964","0.0001","3.8964","0.0001","41.289","0.0012","90","","90","","90","","626.85","0.03","","","298","","","","100","","","","","6","I 4/m m m","-I 4 2","139","Ca5(Sc0.4Ti0.6)4Fe2As2O11","","","- As2 Ca5 Fe2.38 O11 Sc1.62 Ti2.4 -","- As2 Ca5 Fe2 O11 Sc1.64 Ti2.36 -","- As4 Ca10 Fe4 O22 Sc3.28 Ti4.72 -","2","0.0625","","Simura, R.; Yatsu, Y.; Sakai, N.; Yamane, H.; Ogino, H.","Crystal structure of Ca5(Sc0.4Ti0.6)4Fe2As2O11","Journal of the Ceramic Society of Japan","2024","132","","34","37","10.2109/jcersj2.23163","","","","","","","","","","","","","","","","","","","","","has coordinates","288951","2024-01-08","02:47:25",""
"1570724","9.5459","0.0002","19.1854","0.0005","11.5679","0.0003","90","","93.009","0.001","90","","2115.65","0.09","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H23 Br N2 O2 S -","- C22 H23 Br N2 O2 S -","- C88 H92 Br4 N8 O8 S4 -","4","2","","Bulger, Ana S.; Nasrallah, Daniel J.; Tena Meza, Arismel; Garg, Neil K.","Enantioselective nickel-catalyzed Mizoroki-Heck cyclizations of amide electrophiles.","Chemical science","2024","15","7","2593","2600","10.1039/d3sc05797f","","","1.54178","CuKα","","0.0375","0.0329","","","0.07","0.0712","","","","","","1.04","","","","has coordinates","290130","2024-03-04","20:03:39",""
"1570745","17.1513","0.0008","13.5641","0.0007","20.7152","0.0009","90","","98.907","0.002","90","","4761.1","0.4","100","","100","","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H63 Ge N2 P Si -","- C55 H63 Ge N2 P Si -","- C220 H252 Ge4 N8 P4 Si4 -","4","1","","Sarkar, Debotra; Dutta, Sayan; Hanusch, Franziska; Koley, Debasis; Inoue, Shigeyoshi","Synthesis and reactivity of N-heterocyclic carbene (NHC)-supported heavier nitrile ylides.","Chemical science","2024","15","7","2391","2397","10.1039/d3sc06430a","","x-ray","0.71073","MoKα","","0.0337","0.0287","","","0.0721","0.0774","","","","","","1.075","","","","has coordinates","290131","2024-03-04","20:03:52",""
"1570746","12.462","0.01","15.316","0.011","14.954","0.009","90","","97.32","0.03","90","","2831","3","100","","100","","","","","","","","see text","7","P 1 21 1","P 2yb","4","","","","- C63 H79 N2 O2 P Si Sn -","- C63 H79 N2 O2 P Si Sn -","- C126 H158 N4 O4 P2 Si2 Sn2 -","2","1","","Sarkar, Debotra; Dutta, Sayan; Hanusch, Franziska; Koley, Debasis; Inoue, Shigeyoshi","Synthesis and reactivity of N-heterocyclic carbene (NHC)-supported heavier nitrile ylides.","Chemical science","2024","15","7","2391","2397","10.1039/d3sc06430a","","x-ray","0.71073","MoKα","","0.0239","0.0204","","","0.0475","0.049","","","","","","1.035","","","","has coordinates","290131","2024-03-04","20:03:53",""
"1570747","10.922","0.005","20.846","0.011","26.946","0.013","90","","94.951","0.019","90","","6112","5","100","","100","","","","","","","","see text","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H79 Ge N2 O2 P Si -","- C66 H79 Ge N2 O2 P Si -","- C264 H316 Ge4 N8 O8 P4 Si4 -","4","1","","Sarkar, Debotra; Dutta, Sayan; Hanusch, Franziska; Koley, Debasis; Inoue, Shigeyoshi","Synthesis and reactivity of N-heterocyclic carbene (NHC)-supported heavier nitrile ylides.","Chemical science","2024","15","7","2391","2397","10.1039/d3sc06430a","","x-ray","0.71073","MoKα","","0.069","0.0502","","","0.1129","0.1248","","","","","","1.089","","","","has coordinates,has disorder","290131","2024-03-04","20:03:53",""
"1570748","13.13","0.004","13.51","0.004","17.559","0.005","91.771","0.012","105.725","0.016","107.874","0.009","2831.2","1.5","100","","100","","","","","","","","see text","7","P -1","-P 1","2","","","","- C59 H73 Ge N2 O P5 Si -","- C59 H73 Ge N2 O P5 Si -","- C118 H146 Ge2 N4 O2 P10 Si2 -","2","1","","Sarkar, Debotra; Dutta, Sayan; Hanusch, Franziska; Koley, Debasis; Inoue, Shigeyoshi","Synthesis and reactivity of N-heterocyclic carbene (NHC)-supported heavier nitrile ylides.","Chemical science","2024","15","7","2391","2397","10.1039/d3sc06430a","","x-ray","0.71073","MoKα","","0.039","0.0322","","","0.0765","0.0814","","","","","","1.049","","","","has coordinates,has disorder","290131","2024-03-04","20:03:53",""
"1570749","24.596","0.005","28.305","0.006","29.247","0.006","64.888","0.008","81.085","0.009","81.878","0.009","18149","7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C243 H359 B2 Cl21 Cu58 F8 P8 S24 -","- C243 H359 B2 Cl21 Cu58 F8 P8 S24 -","- C486 H718 B4 Cl42 Cu116 F16 P16 S48 -","2","1","","Das, Anish Kumar; Biswas, Sourav; Pal, Amit; Manna, Surya Sekhar; Sardar, Avirup; Mondal, Pradip Kumar; Sahoo, Basudev; Pathak, Biswarup; Mandal, Sukhendu","A thiolated copper-hydride nanocluster with chloride bridging as a catalyst for carbonylative C-N coupling of aryl amines under mild conditions: a combined experimental and theoretical study.","Nanoscale","2024","16","7","3583","3590","10.1039/d3nr05912j","","","0.71073","MoKα","","0.3605","0.1233","","","0.2983","0.4415","","","","","","0.912","","","","has coordinates","291005","2024-04-04","23:56:20",""
"1570750","7.9583","0.0002","11.2703","0.0002","16.008","0.0005","83.0428","0.0018","86.9392","0.0013","76.5236","0.0018","1385.51","0.06","223","","223","","","","","","","","","4","P -1","-P 1","2","cis-Jasmone 4-methylthiosemicarbazone","<i>N</i>-Methyl-2-{3-methyl-2-[(2<i>Z</i>)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}hydrazinecarbothioamide","","- C13 H21 N3 S -","- C13 H21 N3 S -","- C52 H84 N12 S4 -","4","2","","Oliveira, Adriano Bof de; Bresolin, Leandro; Beck, Johannes; Daniels, Jörg","N-Methyl-2-{3-methyl-2-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}hydrazinecarbothioamide","IUCrData","2024","9","1","","","10.1107/S2414314624000130","","x-ray","0.71073","MoKα","","0.1129","0.0522","","","0.1144","0.1399","","","","","","1.031","","","","has coordinates,has disorder","289013","2024-01-10","02:47:29",""
"1570759","19.7309","0.0002","16.8006","0.0002","24.9013","0.0002","90","","93.538","0.001","90","","8238.82","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C120 H104 Cu4 N12 O38 -","- C120 H104 Cu4 N12 O38 -","- C240 H208 Cu8 N24 O76 -","2","0.5","","Doñagueda Suso, Beatriz; Wang, Zaoming; Kennedy, Alan R.; Fletcher, Ashleigh J.; Furukawa, Shuhei; Craig, Gavin A.","Improving the gas sorption capacity in lantern-type metal-organic polyhedra by a scrambled cage method.","Chemical science","2024","15","8","2857","2866","10.1039/d3sc06140j","","","1.54184","CuKα","","0.083","0.0782","","","0.2422","0.2468","","","","","","1.048","","","","has coordinates,has disorder","290117","2024-03-04","19:59:53",""
"1570760","19.9031","0.0002","16.7668","0.0001","24.9964","0.0002","90","","94.081","0.001","90","","8320.43","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C148.66 H167.11 Cu4 N18.66 O46.56 -","- C148.668 H167.12 Cu4 N18.66 O46.56 -","- C297.336 H334.24 Cu8 N37.32 O93.12 -","2","0.5","","Doñagueda Suso, Beatriz; Wang, Zaoming; Kennedy, Alan R.; Fletcher, Ashleigh J.; Furukawa, Shuhei; Craig, Gavin A.","Improving the gas sorption capacity in lantern-type metal-organic polyhedra by a scrambled cage method.","Chemical science","2024","15","8","2857","2866","10.1039/d3sc06140j","","","1.54184","CuKα","","0.1073","0.0995","","","0.3353","0.347","","","","","","1.593","","","","has coordinates,has disorder","290117","2024-03-04","19:59:54",""
"1570761","19.9329","0.0002","16.7488","0.0002","25.2197","0.0002","90","","94.831","0.001","90","","8389.74","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C151.32 H173.29 Cu4 N18.66 O46.56 -","- C151.316 H173.292 Cu4 N18.66 O46.56 -","- C302.632 H346.584 Cu8 N37.32 O93.12 -","2","0.5","","Doñagueda Suso, Beatriz; Wang, Zaoming; Kennedy, Alan R.; Fletcher, Ashleigh J.; Furukawa, Shuhei; Craig, Gavin A.","Improving the gas sorption capacity in lantern-type metal-organic polyhedra by a scrambled cage method.","Chemical science","2024","15","8","2857","2866","10.1039/d3sc06140j","","","1.54184","CuKα","","0.1104","0.105","","","0.3576","0.366","","","","","","1.7","","","","has coordinates,has disorder","290117","2024-03-04","19:59:54",""
"1570762","19.834","0.0002","16.8359","0.0002","25.5694","0.0002","90","","96.331","0.001","90","","8486.15","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C138.88 H142.27 Cu4 N15.16 O44.67 -","- C138.88 H142.262 Cu4 N15.158 O44.672 -","- C277.76 H284.524 Cu8 N30.316 O89.344 -","2","0.5","","Doñagueda Suso, Beatriz; Wang, Zaoming; Kennedy, Alan R.; Fletcher, Ashleigh J.; Furukawa, Shuhei; Craig, Gavin A.","Improving the gas sorption capacity in lantern-type metal-organic polyhedra by a scrambled cage method.","Chemical science","2024","15","8","2857","2866","10.1039/d3sc06140j","","","1.54184","CuKα","","0.1453","0.1366","","","0.4207","0.4323","","","","","","1.963","","","","has coordinates,has disorder","290117","2024-03-04","19:59:54",""
"1570763","10.854","0.005","10.173","0.005","16.146","0.007","90","","95.651","0.014","90","","1774.1","1.4","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 N O3 S -","- C22 H15 N O3 S -","- C88 H60 N4 O12 S4 -","4","1","","Shi, Zhaojiang; Dong, Shicheng; Liu, Ting; Wang, Wei-Zhen; Li, Nan; Yuan, Yaofeng; Zhu, Jun; Ye, Ke-Yin","Electrochemical cascade migratory <i>versus ortho</i>-cyclization of 2-alkynylbenzenesulfonamides.","Chemical science","2024","15","8","2827","2832","10.1039/d3sc05229j","","","0.71073","MoKα","","0.064","0.0407","","","0.0901","0.0983","","","","","","1.067","","","","has coordinates","290111","2024-03-04","19:58:22",""
"1570764","8.9567","0.0012","10.129","0.0013","11.0747","0.0014","115.736","0.004","95.407","0.004","101.18","0.004","869.6","0.2","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H15 N O3 S -","- C22 H15 N O3 S -","- C44 H30 N2 O6 S2 -","2","1","","Shi, Zhaojiang; Dong, Shicheng; Liu, Ting; Wang, Wei-Zhen; Li, Nan; Yuan, Yaofeng; Zhu, Jun; Ye, Ke-Yin","Electrochemical cascade migratory <i>versus ortho</i>-cyclization of 2-alkynylbenzenesulfonamides.","Chemical science","2024","15","8","2827","2832","10.1039/d3sc05229j","","","0.71073","MoKα","","0.0628","0.0456","","","0.114","0.1221","","","","","","1.036","","","","has coordinates","290111","2024-03-04","19:58:22",""
"1570765","13.7479","0.0009","17.9258","0.0009","14.2154","0.0008","90","","94.773","0.003","90","","3491.1","0.3","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H15 N O3 S -","- C22 H15 N O3 S -","- C176 H120 N8 O24 S8 -","8","1","","Shi, Zhaojiang; Dong, Shicheng; Liu, Ting; Wang, Wei-Zhen; Li, Nan; Yuan, Yaofeng; Zhu, Jun; Ye, Ke-Yin","Electrochemical cascade migratory <i>versus ortho</i>-cyclization of 2-alkynylbenzenesulfonamides.","Chemical science","2024","15","8","2827","2832","10.1039/d3sc05229j","","","0.71073","MoKα","","0.0399","0.032","","","0.0813","0.0841","","","","","","1.042","","","","has coordinates","290111","2024-03-04","19:58:22",""
"1570766","8.9045","0.0005","10.4068","0.0005","11.071","0.0006","63.033","0.002","71.405","0.002","75.259","0.002","859.28","0.08","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H15 N O3 S -","- C22 H15 N O3 S -","- C44 H30 N2 O6 S2 -","2","1","","Shi, Zhaojiang; Dong, Shicheng; Liu, Ting; Wang, Wei-Zhen; Li, Nan; Yuan, Yaofeng; Zhu, Jun; Ye, Ke-Yin","Electrochemical cascade migratory <i>versus ortho</i>-cyclization of 2-alkynylbenzenesulfonamides.","Chemical science","2024","15","8","2827","2832","10.1039/d3sc05229j","","","0.71073","MoKα","","0.0324","0.0308","","","0.0771","0.0781","","","","","","1.062","","","","has coordinates","290111","2024-03-04","19:58:22",""
"1570767","8.086","0.003","5.5939","0.0014","38.073","0.011","90","","94.504","0.01","90","","1716.8","0.9","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 N O4 S -","- C21 H13 N O4 S -","- C84 H52 N4 O16 S4 -","4","1","","Shi, Zhaojiang; Dong, Shicheng; Liu, Ting; Wang, Wei-Zhen; Li, Nan; Yuan, Yaofeng; Zhu, Jun; Ye, Ke-Yin","Electrochemical cascade migratory <i>versus ortho</i>-cyclization of 2-alkynylbenzenesulfonamides.","Chemical science","2024","15","8","2827","2832","10.1039/d3sc05229j","","","0.71073","MoKα","","0.1055","0.0513","","","0.1048","0.1233","","","","","","1.012","","","","has coordinates","290111","2024-03-04","19:58:22",""
"1570768","9.6958","0.0003","17.1453","0.0005","18.5627","0.0006","85.106","0.002","77.072","0.002","78.794","0.002","2947.43","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Diadamantanocyclophane dialdehyde (DADA)","","","- C44 H50 O2 S4 -","- C44 H50 O2 S4 -","- C132 H150 O6 S12 -","3","1.5","","Mohanan, Manikandan; Zhang, Xinran; Gavvalapalli, Nagarjuna","π-Face strapped monomers enable self-stabilized hyperbranched π-conjugated polymer particles","Polymer Chemistry","2024","15","5","422","430","10.1039/D3PY01158E","","","0.71073","MoKα","","0.1073","0.0559","","","0.1169","0.1388","","","","","","1.012","","","","has coordinates","289646","2024-02-04","12:32:43",""
"1570769","10.8836","0.0004","10.8836","0.0004","47.541","0.005","90","","90","","90","","5631.4","0.7","100","2","100","2","","","","","","","","5","I 41","I 4bw","80","","copper tetraisopropylporphyrin dichloromethane solvate","","- C130 H148 Cl4 Cu4 N16 -","- C130 H148 Cl4 Cu4 N16 -","- C260 H296 Cl8 Cu8 N32 -","2","0.25","","Kazmierczak, Nathanael P.; Lopez, Nathan E.; Luedecke, Kaitlin M.; Hadt, Ryan G.","Determining the key vibrations for spin relaxation in ruffled Cu(ii) porphyrins <i>via</i> resonance Raman spectroscopy.","Chemical science","2024","15","7","2380","2390","10.1039/d3sc05774g","","","1.54178","CuKα","","0.0468","0.0408","","","0.1104","0.1165","","","","","","1.04","","","","has coordinates,has disorder","290132","2024-03-04","20:04:02",""
"1570770","9.9467","0.0004","10.7574","0.0006","19.8365","0.0009","90","","90","","90","","2122.52","0.17","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 O4 Si -","- C21 H26 N2 O4 Si -","- C84 H104 N8 O16 Si4 -","4","1","","Guerzoni, Michael G.; van Ingen, Yara; Babaahmadi, Rasool; Wirth, Thomas; Richards, Emma; Melen, Rebecca L.","An un-forgotten classic: the nitro-Mannich reaction between nitrones and silyl nitronates catalysed by B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>.","Chemical science","2024","15","7","2648","2654","10.1039/d3sc05672d","","","0.71073","MoKα","","0.0418","0.0354","","","0.0816","0.0858","","","","","","1.03","","","","has coordinates","290129","2024-03-04","20:03:33",""
"1570771","15.3631","0.0005","11.8472","0.0003","22.4626","0.0007","90","","90.492","0.003","90","","4088.3","0.2","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H26 N2 O3 Si -","- C19 H26 N2 O3 Si -","- C152 H208 N16 O24 Si8 -","8","2","","Guerzoni, Michael G.; van Ingen, Yara; Babaahmadi, Rasool; Wirth, Thomas; Richards, Emma; Melen, Rebecca L.","An un-forgotten classic: the nitro-Mannich reaction between nitrones and silyl nitronates catalysed by B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>.","Chemical science","2024","15","7","2648","2654","10.1039/d3sc05672d","","","0.71073","MoKα","","0.0409","0.0364","","","0.0952","0.0988","","","","","","1.025","","","","has coordinates","290129","2024-03-04","20:03:33",""
"1570772","13.0639","0.0004","11.4369","0.0003","19.0593","0.0005","90","","93.949","0.002","90","","2840.9","0.14","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H13 B F15 N O -","- C32 H13 B F15 N O -","- C128 H52 B4 F60 N4 O4 -","4","1","","Guerzoni, Michael G.; van Ingen, Yara; Babaahmadi, Rasool; Wirth, Thomas; Richards, Emma; Melen, Rebecca L.","An un-forgotten classic: the nitro-Mannich reaction between nitrones and silyl nitronates catalysed by B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>.","Chemical science","2024","15","7","2648","2654","10.1039/d3sc05672d","","","1.54178","CuKα","","0.0587","0.0458","","","0.1243","0.1369","","","","","","1.013","","","","has coordinates","290129","2024-03-04","20:03:33",""
"1570773","18.4252","0.0005","8.0582","0.0003","20.1712","0.0006","90","","107.799","0.003","90","","2851.55","0.16","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H13 B F15 N O -","- C32 H13 B F15 N O -","- C128 H52 B4 F60 N4 O4 -","4","1","","Guerzoni, Michael G.; van Ingen, Yara; Babaahmadi, Rasool; Wirth, Thomas; Richards, Emma; Melen, Rebecca L.","An un-forgotten classic: the nitro-Mannich reaction between nitrones and silyl nitronates catalysed by B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>.","Chemical science","2024","15","7","2648","2654","10.1039/d3sc05672d","","","1.54178","CuKα","","0.0626","0.0514","","","0.1287","0.1353","","","","","","1.149","","","","has coordinates","290129","2024-03-04","20:03:33",""
"1570774","9.0442","0.0006","9.8687","0.0006","16.26","0.001","83.784","0.005","80.686","0.005","75.18","0.005","1381.1","0.15","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H11 B F15 N O -","- C31 H11 B F15 N O -","- C62 H22 B2 F30 N2 O2 -","2","1","","Guerzoni, Michael G.; van Ingen, Yara; Babaahmadi, Rasool; Wirth, Thomas; Richards, Emma; Melen, Rebecca L.","An un-forgotten classic: the nitro-Mannich reaction between nitrones and silyl nitronates catalysed by B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>.","Chemical science","2024","15","7","2648","2654","10.1039/d3sc05672d","","","1.54178","CuKα","","0.0727","0.0575","","","0.1472","0.1609","","","","","","1.057","","","","has coordinates","290129","2024-03-04","20:03:33",""
"1570778","14.7877","0.0006","9.9287","0.0004","9.523","0.0003","90","","95.233","0.004","90","","1392.36","0.09","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichlorido(4,7-dimethoxy-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)","","- C14 H12 Cl2 N2 O2 Zn -","- C14 H12 Cl2 N2 O2 Zn -","- C56 H48 Cl8 N8 O8 Zn4 -","4","0.5","WM4203","Rose, Nalani P.; Arman, Hadi D.; Adrian, Rafael A.","Dichlorido(4,7-dimethoxy-1,10-phenanthroline-κ2 N,N′)zinc(II)","IUCrData","2024","9","1","","","10.1107/S2414314624000373","","x-ray","1.54184","CuKα","","0.031","0.0284","","","0.0768","0.0783","","","","","","1.07","","","","has coordinates","289079","2024-01-13","02:43:26",""
"1570779","6.5385","0.0002","16.7263","0.0008","19.0096","0.0011","90","","90","","90","","2078.98","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>trans</i>-Dichloridobis[(<i>S</i>)-(–)-1-(4-methylphenyl)ethylamine-κ<i>N</i>]palladium(II)","","- C18 H26 Cl2 N2 Pd -","- C18 H26 Cl2 N2 Pd -","- C72 H104 Cl8 N8 Pd4 -","4","1","WM4204","Hernández Téllez, Guadalupe; Moreno Morales, Gloria E.; Sharma, Pankaj; Gonzalez, Rodary; Anzaldo, Bertin","trans-Dichloridobis[(S)-(−)-1-(4-methylphenyl)ethylamine-κN]palladium(II)","IUCrData","2024","9","1","","","10.1107/S2414314624000361","","","0.71073","MoKα","","0.0798","0.0492","","","0.0851","0.0954","","","","","","1.046","","","","has coordinates","289080","2024-01-13","02:43:52",""
"1570780","9.4435","0.0003","9.4435","0.0003","15.3288","0.0006","90","","90","","120","","1183.87","0.07","296","","296","","","","","","","","","4","P 63 c m","P 6c -2","185","","","","- Ba2 F31 K3 Zr6 -","- Ba2 F31 K3 Zr6 -","- Ba4 F62 K6 Zr12 -","2","0.166667","","Yan, Mei; Tang, Ru-Ling; Yao, Wen-Dong; Liu, Wenlong; Guo, Sheng-Ping","Exploring a new short-wavelength nonlinear optical fluoride material featuring unprecedented polar <i>cis</i>-[Zr<sub>6</sub>F<sub>34</sub>]<sup>10-</sup> clusters.","Chemical science","2024","15","8","2883","2888","10.1039/d3sc06683e","","","0.71073","MoKα","","0.0163","0.0163","","","0.0376","0.0377","","","","","","1.166","","","","has coordinates","290118","2024-03-04","20:00:00",""
"1570781","15.28922","0.00015","16.70934","0.00013","27.2586","0.0002","90","","93.5087","0.0008","90","","6950.78","0.1","110","0.1","110","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C78 H65 Cl F6 P5 Pd3 Sb -","- C78 H65 Cl F6 P5 Pd3 Sb -","- C312 H260 Cl4 F24 P20 Pd12 Sb4 -","4","1","","Jeddi, Neda; Scott, Neil W. J.; Tanner, Theo; Beaumont, Simon K.; Fairlamb, Ian J. S.","Evidence for Suzuki-Miyaura cross-couplings catalyzed by ligated Pd<sub>3</sub>-clusters: from cradle to grave.","Chemical science","2024","15","8","2763","2777","10.1039/d3sc06447f","","x-ray","1.54184","CuKα","","0.0366","0.0303","","","0.0776","0.0827","","","","","","0.996","","","","has coordinates","290110","2024-03-04","19:58:13",""
"1570782","5.4496","0.0002","20.6183","0.0006","13.2918","0.0004","90","","99.854","0.001","90","","1471.45","0.08","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","29","","- C17 H10 Br N O3 -","- C17 H10 Br N O3 -","- C68 H40 Br4 N4 O12 -","4","1","","He, Yi; Wang, Juanjuan; Zhu, Tongtong; Zheng, Zhaojing; Wei, Hao","Nitrogen atom insertion into arenols to access benzazepines.","Chemical science","2024","15","7","2612","2617","10.1039/d3sc05367a","","","1.34138","GaKα","","0.0374","0.0344","","","0.0934","0.0962","","","","","","1.081","","","","has coordinates","290127","2024-03-04","20:02:58",""
"1570783","7.762","0.0005","12.9308","0.0009","15.9453","0.001","90","","94.829","0.002","90","","1594.73","0.18","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","399","","- C21 H15 N O3 -","- C21 H15 N O3 -","- C84 H60 N4 O12 -","4","1","","He, Yi; Wang, Juanjuan; Zhu, Tongtong; Zheng, Zhaojing; Wei, Hao","Nitrogen atom insertion into arenols to access benzazepines.","Chemical science","2024","15","7","2612","2617","10.1039/d3sc05367a","","","1.34138","GaKα","","0.1257","0.0477","","","0.0962","0.1195","","","","","","0.947","","","","has coordinates","290127","2024-03-04","20:02:58",""
"1570784","7.7369","0.0006","9.7927","0.0009","16.8291","0.0016","90","","100.727","0.004","90","","1252.78","0.19","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","375","","- C15 H12 N2 O3 -","- C15 H12 N2 O3 -","- C60 H48 N8 O12 -","4","1","","He, Yi; Wang, Juanjuan; Zhu, Tongtong; Zheng, Zhaojing; Wei, Hao","Nitrogen atom insertion into arenols to access benzazepines.","Chemical science","2024","15","7","2612","2617","10.1039/d3sc05367a","","","1.34138","GaKα","","0.1478","0.0935","","","0.2433","0.3017","","","","","","1.084","","","","has coordinates","290127","2024-03-04","20:02:58",""
"1570785","9.2818","0.0003","14.7927","0.0005","19.3153","0.0007","90","","95.886","0.001","90","","2638.06","0.16","105","","105","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 Cu F15 P -","- C22 H27 Cu F15 P -","- C88 H108 Cu4 F60 P4 -","4","1","","Sievers, Robin; Reimann, Marc; Kub, Nico G.; Rupf, Susanne M.; Kaupp, Martin; Malischewski, Moritz","Synthesis and structural characterization of stable coinage metal (Cu, Ag, Au) cyclopentadienyl complexes.","Chemical science","2024","15","8","2990","2995","10.1039/d3sc06299f","","","0.71073","MoKα","","0.0764","0.0658","","","0.1896","0.2008","","","","","","1.06","","","","has coordinates,has disorder","290112","2024-03-04","19:58:37",""
"1570786","9.4791","0.0008","10.7301","0.0009","14.7059","0.0013","90.169","0.003","90.23","0.003","116.097","0.003","1343.2","0.2","105","","105","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H27 Ag F15 P -","- C22 H27 Ag F15 P -","- C44 H54 Ag2 F30 P2 -","2","1","","Sievers, Robin; Reimann, Marc; Kub, Nico G.; Rupf, Susanne M.; Kaupp, Martin; Malischewski, Moritz","Synthesis and structural characterization of stable coinage metal (Cu, Ag, Au) cyclopentadienyl complexes.","Chemical science","2024","15","8","2990","2995","10.1039/d3sc06299f","","","0.71073","MoKα","","0.0424","0.0403","","","0.1148","0.1169","","","","","","1.082","","","","has coordinates","290112","2024-03-04","19:58:37",""
"1570787","10.7338","0.0003","17.1617","0.0006","17.323","0.0006","112.222","0.001","102.595","0.001","104.552","0.001","2679.07","0.16","105","","105","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H27 Au F15 P -","- C22 H27 Au F15 P -","- C88 H108 Au4 F60 P4 -","4","2","","Sievers, Robin; Reimann, Marc; Kub, Nico G.; Rupf, Susanne M.; Kaupp, Martin; Malischewski, Moritz","Synthesis and structural characterization of stable coinage metal (Cu, Ag, Au) cyclopentadienyl complexes.","Chemical science","2024","15","8","2990","2995","10.1039/d3sc06299f","","","1.54178","CuKα","","0.0362","0.0332","","","0.103","0.1067","","","","","","1.126","","","","has coordinates","290112","2024-03-04","19:58:37",""
"1570788","10.7938","0.0003","19.4422","0.0005","17.8596","0.0005","90","","104.394","0.003","90","","3630.28","0.18","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Nd(Cptt)3","","- C39 H63 Nd -","- C39 H63 Nd -","- C156 H252 Nd4 -","4","1","","Nodaraki, Lydia E.; Liu, Jingjing; Ariciu, Ana-Maria; Ortu, Fabrizio; Oakley, Meagan S.; Birnoschi, Letitia; Gransbury, Gemma K.; Cobb, Philip J.; Emerson-King, Jack; Chilton, Nicholas F.; Mills, David P.; McInnes, Eric J. L.; Tuna, Floriana","Metal-carbon bonding in early lanthanide substituted cyclopentadienyl complexes probed by pulsed EPR spectroscopy.","Chemical science","2024","15","8","3003","3010","10.1039/d3sc06175b","","","0.71073","MoKα","","0.065","0.0451","","","0.0856","0.0968","","","","","","1.064","","","","has coordinates","290109","2024-03-04","19:58:04",""
"1570789","10.7001","0.0008","18.4935","0.0009","19.7113","0.0013","83.299","0.005","77.365","0.006","74.64","0.005","3662.9","0.4","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H63 La -","- C39 H63 La -","- C156 H252 La4 -","4","2","","Nodaraki, Lydia E.; Liu, Jingjing; Ariciu, Ana-Maria; Ortu, Fabrizio; Oakley, Meagan S.; Birnoschi, Letitia; Gransbury, Gemma K.; Cobb, Philip J.; Emerson-King, Jack; Chilton, Nicholas F.; Mills, David P.; McInnes, Eric J. L.; Tuna, Floriana","Metal-carbon bonding in early lanthanide substituted cyclopentadienyl complexes probed by pulsed EPR spectroscopy.","Chemical science","2024","15","8","3003","3010","10.1039/d3sc06175b","","","0.71073","MoKα","","0.095","0.0559","","","0.0809","0.0926","","","","","","0.996","","","","has coordinates,has disorder","290109","2024-03-04","19:58:05",""
"1570790","10.4236","0.0003","17.9728","0.0005","17.9093","0.0005","90","","90.648","0.002","90","","3354.94","0.16","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C136 H198 Mn4 N8 O9 P8 -","- C136 H198 Mn4 N8 O9 P8 -","- C136 H198 Mn4 N8 O9 P8 -","1","0.25","","Thiyagarajan, Subramanian; Diskin-Posner, Yael; Montag, Michael; Milstein, David","Manganese-catalyzed base-free addition of saturated nitriles to unsaturated nitriles by template catalysis.","Chemical science","2024","15","7","2571","2577","10.1039/d3sc04935c","","x-ray","0.71073","MoKα","","0.0585","0.0434","","","0.0999","0.1057","","","","","","1.072","","","","has coordinates","290126","2024-03-04","20:02:50",""
"1570791","9.5026","0.0005","16.911","0.0006","21.3649","0.001","90","","100.11","0.004","90","","3380","0.3","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H49 Mn N2 O2 P2 -","- C34 H49 Mn N2 O2 P2 -","- C136 H196 Mn4 N8 O8 P8 -","4","2","","Thiyagarajan, Subramanian; Diskin-Posner, Yael; Montag, Michael; Milstein, David","Manganese-catalyzed base-free addition of saturated nitriles to unsaturated nitriles by template catalysis.","Chemical science","2024","15","7","2571","2577","10.1039/d3sc04935c","","x-ray","1.54184","CuKα","","0.0978","0.0888","","","0.2071","0.214","","","","","","1.058","","","","has coordinates","290126","2024-03-04","20:02:50",""
"1570792","12.718","0.0005","8.3994","0.0003","5.375","0.0002","90","","90","","90","","574.18","0.04","281.7","0.2","281.7","0.2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Lu Na O6 Se2 -","- Lu Na O6 Se2 -","- Lu4 Na4 O24 Se8 -","4","1","","Li, Peng-Fei; Hu, Chun-Li; Mao, Jiang-Gao; Kong, Fang","A UV non-hydrogen pure selenite nonlinear optical material for achieving balanced properties through framework-optimized structural transformation.","Materials horizons","2024","11","7","1704","1709","10.1039/d3mh01790g","","x-ray","0.71073","MoKα","","0.0214","0.02","","","0.0416","0.0419","","","","","","1","","","","has coordinates","291073","2024-04-05","00:19:10",""
"1570793","13.9175","0.0004","14.8192","0.0004","19.2412","0.0005","89.702","0.002","77.628","0.002","79.792","0.002","3812.69","0.18","172.99","0.1","172.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C85 H94 B N5 -","- C85 H94 B N5 -","- C170 H188 B2 N10 -","2","1","","Du, Mingxu; Mai, Minqiang; Zhang, Dongdong; Duan, Lian; Zhang, Yuewei","Stereo effects for efficient synthesis of orange-red multiple resonance emitters centered on a pyridine ring.","Chemical science","2024","15","9","3148","3154","10.1039/d3sc06470k","","x-ray","1.54184","CuKα","","0.074","0.0656","","","0.1843","0.1923","","","","","","1.037","","","","has coordinates,has disorder","290136","2024-03-04","20:05:12",""
"1570794","10.681","0.0002","13.7656","0.0002","22.8895","0.0004","90","","93.616","0.001","90","","3358.75","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(SIMes)AgBHT","(SIMes)AgOAr","","- C36 H49 Ag N2 O -","- C36 H49 Ag N2 O -","- C144 H196 Ag4 N8 O4 -","4","1","","Hansen, Colin; Docherty, Scott R.; Cao, Weicheng; Yakimov, Alexander V.; Copéret, Christophe","<sup>109</sup>Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials.","Chemical science","2024","15","8","3028","3032","10.1039/d3sc04067d","","x-ray","1.54184","CuKα","","0.0266","0.0262","","","0.0737","0.074","","","","","","1.146","","","","has coordinates","290116","2024-03-04","19:59:34",""
"1570795","10.1212","0.0001","11.216","0.0002","14.9017","0.0002","109.269","0.001","90.061","0.001","109.016","0.001","1498.5","0.04","100.01","0.1","100.15","","","","","","","","","4","P -1","-P 1","2","","(IMes)AgMes","","- C33.5 H39 Ag N2 -","- C33.5 H39 Ag N2 -","- C67 H78 Ag2 N4 -","2","1","","Hansen, Colin; Docherty, Scott R.; Cao, Weicheng; Yakimov, Alexander V.; Copéret, Christophe","<sup>109</sup>Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials.","Chemical science","2024","15","8","3028","3032","10.1039/d3sc04067d","","","1.54184","CuKα","","0.026","0.0259","","","0.0715","0.0716","","","","","","1.098","","","","has coordinates,has disorder","290116","2024-03-04","19:59:34",""
"1570796","15.7456","0.0003","16.8545","0.0004","19.8172","0.0005","90","","90","","90","","5259.2","0.2","100.1","0.3","100.1","0.3","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(SIMes)AgMes","","- C30 H37 Ag N2 -","- C30 H37 Ag N2 -","- C240 H296 Ag8 N16 -","8","1","","Hansen, Colin; Docherty, Scott R.; Cao, Weicheng; Yakimov, Alexander V.; Copéret, Christophe","<sup>109</sup>Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials.","Chemical science","2024","15","8","3028","3032","10.1039/d3sc04067d","","x-ray","1.54184","CuKα","","0.0384","0.0372","","","0.1024","0.1035","","","","","","1.088","","","","has coordinates","290116","2024-03-04","19:59:34",""
"1570797","17.3928","0.0006","14.3855","0.0004","17.9551","0.0006","90","","112.995","0.004","90","","4135.5","0.3","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(SIMes)AgMe","","- C22 H29 Ag N2 -","- C22 H29 Ag N2 -","- C176 H232 Ag8 N16 -","8","2","","Hansen, Colin; Docherty, Scott R.; Cao, Weicheng; Yakimov, Alexander V.; Copéret, Christophe","<sup>109</sup>Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials.","Chemical science","2024","15","8","3028","3032","10.1039/d3sc04067d","","x-ray","1.54184","CuKα","","0.033","0.032","","","0.0877","0.0884","","","","","","1.113","","","","has coordinates","290116","2024-03-04","19:59:34",""
"1570798","11.1099","0.0002","16.5691","0.0002","19.2966","0.0003","90","","104.487","0.002","90","","3439.2","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(SIMes)AgOTBOS","(SIMes)Ag(OSi(OtBu)3)","","- C33 H53 Ag N2 O4 Si -","- C33 H53 Ag N2 O4 Si -","- C132 H212 Ag4 N8 O16 Si4 -","4","1","","Hansen, Colin; Docherty, Scott R.; Cao, Weicheng; Yakimov, Alexander V.; Copéret, Christophe","<sup>109</sup>Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials.","Chemical science","2024","15","8","3028","3032","10.1039/d3sc04067d","","x-ray","1.54184","CuKα","","0.03","0.0298","","","0.085","0.0852","","","","","","1.129","","","","has coordinates","290116","2024-03-04","19:59:34",""
"1570799","11.1581","0.0002","16.6129","0.0002","19.1762","0.0003","90","","104.952","0.002","90","","3434.31","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(IMes)AgTBOS","(IMes)Ag(OSi(OtBu)3)","","- C33 H51 Ag N2 O4 Si -","- C33 H51 Ag N2 O4 Si -","- C132 H204 Ag4 N8 O16 Si4 -","4","1","","Hansen, Colin; Docherty, Scott R.; Cao, Weicheng; Yakimov, Alexander V.; Copéret, Christophe","<sup>109</sup>Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials.","Chemical science","2024","15","8","3028","3032","10.1039/d3sc04067d","","x-ray","0.71073","MoKα","","0.0485","0.038","","","0.0857","0.09","","","","","","1.19","","","","has coordinates","290116","2024-03-04","19:59:34",""
"1570800","20.852","0.004","44.031","0.012","13.785","0.004","90","","90","","90","","12656","6","100","","100","","","","","","","","","5","F d d 2","F 2 -2d","43","(SIMes)AgHMDS","(SIMes)Ag(N(SiMe3)2)","","- C27 H44 Ag N3 Si2 -","- C27 H44 Ag N3 Si2 -","- C432 H704 Ag16 N48 Si32 -","16","1","","Hansen, Colin; Docherty, Scott R.; Cao, Weicheng; Yakimov, Alexander V.; Copéret, Christophe","<sup>109</sup>Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials.","Chemical science","2024","15","8","3028","3032","10.1039/d3sc04067d","","","0.71073","MoKα","","0.0373","0.0329","","","0.0623","0.0642","","","","","","1.096","","","","has coordinates","290116","2024-03-04","19:59:34",""
"1570801","9.061","0.012","11.978","0.012","12.657","0.016","107.62","0.04","110.74","0.04","93.69","0.04","1202","3","193","2","193","2","","","","","","","","3","P 1","P 1","1","","","","- C26 H38 O6 -","- C26 H38 O6 -","- C52 H76 O12 -","2","2","","Yan, Dexiu; Matsuda, Yudai","Global genome mining-driven discovery of an unusual biosynthetic logic for fungal polyketide-terpenoid hybrids.","Chemical science","2024","15","8","3011","3017","10.1039/d3sc06001b","","","1.54178","CuKα","","0.0498","0.0454","","","0.1164","0.1216","","","","","","1.051","","","","has coordinates","290119","2024-03-04","20:00:08",""
"1570802","21.6821","0.0011","5.327","0.0004","22.9919","0.0015","90","","114.126","0.005","90","","2423.6","0.3","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H11 N O -","- C18 H11 N O -","- C144 H88 N8 O8 -","8","1","","Jiang, Wenlin; Liu, Ming; Li, Yanxun; Lin, Francis R.; Jen, Alex K.-Y.","Rational molecular design of multifunctional self-assembled monolayers for efficient hole selection and buried interface passivation in inverted perovskite solar cells.","Chemical science","2024","15","8","2778","2785","10.1039/d3sc05485c","","","1.54178","CuKα","","0.0407","0.0384","","","0.1037","0.1064","","","","","","1.068","","","","has coordinates","290115","2024-03-04","19:59:15",""
"1570803","15.7172","0.0003","5.2891","0.0001","31.0413","0.0007","90","","90","","90","","2580.46","0.09","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H11 N S -","- C18 H11 N S -","- C144 H88 N8 S8 -","8","2","","Jiang, Wenlin; Liu, Ming; Li, Yanxun; Lin, Francis R.; Jen, Alex K.-Y.","Rational molecular design of multifunctional self-assembled monolayers for efficient hole selection and buried interface passivation in inverted perovskite solar cells.","Chemical science","2024","15","8","2778","2785","10.1039/d3sc05485c","","","1.54178","CuKα","","0.0574","0.0509","","","0.1378","0.1458","","","","","","1.066","","","","has coordinates","290115","2024-03-04","19:59:16",""
"1570804","3.9819","0.0003","14.7672","0.0009","11.4435","0.0008","90","","94.161","0.007","90","","671.12","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H11 N3 O3 -","- C17 H11 N3 O3 -","- C34 H22 N6 O6 -","2","1","","Lv, Youming; Ye, Hebo; You, Lei","Multiple control of azoquinoline based molecular photoswitches.","Chemical science","2024","15","9","3290","3299","10.1039/d3sc05879d","","","1.3405","GaKα","","0.0863","0.0653","","","0.1683","0.1811","","","","","","1.013","","","","has coordinates","290134","2024-03-04","20:04:53",""
"1570805","9.1825","0.0005","9.2868","0.0007","10.5049","0.0008","91.395","0.006","104.674","0.006","99.577","0.005","852.44","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 N3 O6 S -","- C18 H15 N3 O6 S -","- C36 H30 N6 O12 S2 -","2","1","","Lv, Youming; Ye, Hebo; You, Lei","Multiple control of azoquinoline based molecular photoswitches.","Chemical science","2024","15","9","3290","3299","10.1039/d3sc05879d","","","1.3405","GaKα","","0.106","0.0657","","","0.1984","0.2205","","","","","","1.073","","","","has coordinates,has disorder","290134","2024-03-04","20:04:53",""
"1570806","7.4257","0.0002","13.6826","0.0004","15.0095","0.0005","80.434","0.003","78.161","0.003","81.361","0.003","1461.12","0.08","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 N6 O8 Zn -","- C34 H24 N6 O8 Zn -","- C68 H48 N12 O16 Zn2 -","2","1","","Lv, Youming; Ye, Hebo; You, Lei","Multiple control of azoquinoline based molecular photoswitches.","Chemical science","2024","15","9","3290","3299","10.1039/d3sc05879d","","x-ray","1.3405","GaKα","","0.0567","0.0482","","","0.1419","0.1481","","","","","","1.064","","","","has coordinates","290134","2024-03-04","20:04:53",""
"1570807","10.3354","0.0004","10.6777","0.0004","13.1615","0.0003","97.249","0.002","95.452","0.002","92.065","0.003","1432.66","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H22 Co N6 O7 -","- C34 H22 Co N6 O7 -","- C68 H44 Co2 N12 O14 -","2","1","","Lv, Youming; Ye, Hebo; You, Lei","Multiple control of azoquinoline based molecular photoswitches.","Chemical science","2024","15","9","3290","3299","10.1039/d3sc05879d","","","1.3405","GaKα","","0.0579","0.0482","","","0.1292","0.1356","","","","","","1.084","","","","has coordinates","290134","2024-03-04","20:04:53",""
"1570808","6.963","0.0006","12.2129","0.001","15.0009","0.0012","90","","98.316","0.008","90","","1262.24","0.18","100","0.2","100","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 N3 O2 -","- C16 H11 N3 O2 -","- C64 H44 N12 O8 -","4","1","","Lv, Youming; Ye, Hebo; You, Lei","Multiple control of azoquinoline based molecular photoswitches.","Chemical science","2024","15","9","3290","3299","10.1039/d3sc05879d","","x-ray","1.3405","GaKα","","0.0657","0.0589","","","0.1703","0.1771","","","","","","1.077","","","","has coordinates","290134","2024-03-04","20:04:53",""
"1570809","7.0419","0.0001","19.2513","0.0003","12.7175","0.0002","90","","100.513","0.002","90","","1695.12","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Bis(4-amino-3-nitrobenzoato-κ<i>O</i>)bis(4-amino-3-nitrobenzoic acid-κ<i>O</i>)diaquamanganese(II) dihydrate","","- C28 H30 Mn N8 O20 -","- C28 H30 Mn N8 O20 -","- C56 H60 Mn2 N16 O40 -","2","0.5","BV4050","Narmanova, Feruza S.; Turaev, Khayit Kh.; Ibragimov, Aziz B.; Ashurov, Jamshid M.","Synthesis and structure of trans-bis(4-amino-3-nitrobenzoato-κO)bis(4-amino-3-nitrobenzoic acid-κO)diaquamanganese(II) dihydrate","IUCrData","2024","9","1","","","10.1107/S2414314624000403","","","1.54184","CuKα","","0.0386","0.0348","","","0.0946","0.0972","","","","","","1.057","","","","has coordinates","289171","2024-01-20","02:49:16",""
"1570811","11.3235","0.0008","11.3235","0.0008","11.3235","0.0008","90","","90","","90","","1451.92","0.18","296","2","296","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Tetratitanium dinickel carbide","","- C Ni2 Ti4 -","- C Ni2 Ti4 -","- C16 Ni32 Ti64 -","16","0.0833333","WM4205","Liu, Huizi; Liang, Xinyu; Liu, Yibo; Fan, Changzeng; Wen, Bin; Zhang, Lifeng","Crystal structure of Ti4Ni2C","IUCrData","2024","9","1","","","10.1107/S2414314624000439","","","0.71073","MoKα","","0.0259","0.0237","","","0.0508","0.051","","","","","","1.216","","","","has coordinates","289173","2024-01-20","02:50:26",""
"1570812","13.389","0.004","13.389","0.004","13.389","0.004","90","","90","","90","","2400.2","1.2","100","","100","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Tetramethylammonium (henicosafluoridotetrabromate(V))-bromine pentafluoride (1/1)","","- C4 H12 Br5 F26 N -","- C4 H11.9997 Br5 F25.999 N -","- C16 H47.9988 Br20 F103.996 N4 -","4","0.333333","","Möbs, Martin; Graubner, Tim; Karttunen, Antti J.; Kraus, Florian","[Br<sub>4</sub>F<sub>21</sub>]<sup>-</sup> - a unique molecular tetrahedral interhalogen ion containing a μ<sub>4</sub>-bridging fluorine atom surrounded by BrF<sub>5</sub> molecules.","Chemical science","2024","15","9","3273","3278","10.1039/d3sc06688f","","","0.71073","MoKα","","0.0273","0.0248","","","0.0645","0.0655","","","","","","1.035","","","","has coordinates,has disorder","290135","2024-03-04","20:05:03",""
"1570813","23.8532","0.0003","21.0638","0.0003","21.3167","0.0003","90","","97.97","0.001","90","","10606.9","0.3","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C50 H51 B F15 K N O4 -","- C50 H51 B F15 K N O4 -","- C400 H408 B8 F120 K8 N8 O32 -","8","1","","Morales, Agustín; Gonçalves, Caroline; Sournia-Saquet, Alix; Vendier, Laure; Lledós, Agustí; Baslé, Olivier; Bontemps, Sébastien","Single electron reduction of NHC-CO<sub>2</sub>-borane compounds.","Chemical science","2024","15","9","3165","3173","10.1039/d3sc06325a","","x-ray","1.54184","CuKα","","0.0582","0.0529","","","0.1471","0.1518","","","","","","1.032","","","","has coordinates,has disorder","290133","2024-03-04","20:04:33",""
"1570814","11.4874","0.0002","20.6397","0.0004","15.6705","0.0003","90","","92.13","0.002","90","","3712.85","0.12","100","2","99.99","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C42 H32 B F15 N2 O2 -","- C42 H32 B F15 N2 O2 -","- C168 H128 B4 F60 N8 O8 -","4","1","","Morales, Agustín; Gonçalves, Caroline; Sournia-Saquet, Alix; Vendier, Laure; Lledós, Agustí; Baslé, Olivier; Bontemps, Sébastien","Single electron reduction of NHC-CO<sub>2</sub>-borane compounds.","Chemical science","2024","15","9","3165","3173","10.1039/d3sc06325a","","x-ray","1.54184","CuKα","","0.027","0.0264","","","0.0684","0.0687","","","","","","1.059","","","","has coordinates","290133","2024-03-04","20:04:33",""
"1570815","12.0583","0.0001","16.6138","0.0001","21.2222","0.0002","90","","96.569","0.001","90","","4223.62","0.06","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H36 B F15 N2 O2 -","- C46 H36 B F15 N2 O2 -","- C184 H144 B4 F60 N8 O8 -","4","1","","Morales, Agustín; Gonçalves, Caroline; Sournia-Saquet, Alix; Vendier, Laure; Lledós, Agustí; Baslé, Olivier; Bontemps, Sébastien","Single electron reduction of NHC-CO<sub>2</sub>-borane compounds.","Chemical science","2024","15","9","3165","3173","10.1039/d3sc06325a","","x-ray","1.54184","CuKα","","0.0458","0.038","","0.1088","0.1028","0.1088","","","","","","0.9784","","","","has coordinates","290133","2024-03-04","20:04:33",""
"1570816","32.364","0.007","11.022","0.002","23.039","0.005","90","","93.043","0.01","90","","8207","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C43 H37 B Cl2 F15 N O2 -","- C43 H37 B Cl2 F15 N O2 -","- C344 H296 B8 Cl16 F120 N8 O16 -","8","1","","Morales, Agustín; Gonçalves, Caroline; Sournia-Saquet, Alix; Vendier, Laure; Lledós, Agustí; Baslé, Olivier; Bontemps, Sébastien","Single electron reduction of NHC-CO<sub>2</sub>-borane compounds.","Chemical science","2024","15","9","3165","3173","10.1039/d3sc06325a","","","0.71073","MoKα","","0.037","0.032","","","0.0765","0.0802","","","","","","1.045","","","","has coordinates,has disorder","290133","2024-03-04","20:04:33",""
"1570817","17.6111","0.0004","17.6111","0.0004","26.4443","0.0006","90","","90","","90","","8201.7","0.3","173","2","173","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C12 H36 Ga3 Ho -","- C12 H36 Ga3 Ho -","- C192 H576 Ga48 Ho16 -","16","1","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.0434","0.0404","","","0.0773","0.0782","","","","","","1.395","","","","has coordinates","290838","2024-04-04","22:45:42",""
"1570818","10.8711","0.0006","15.7025","0.0009","12.4891","0.0007","90","","102.07","0.001","90","","2084.8","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H36 Dy Ga3 -","- C12 H36 Dy Ga3 -","- C48 H144 Dy4 Ga12 -","4","0.5","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.0196","0.0189","","","0.0479","0.0483","","","","","","1.065","","","","has coordinates","290838","2024-04-04","22:45:42",""
"1570819","11.8446","0.0008","12.0811","0.0008","15.8693","0.0011","81.388","0.002","80.802","0.002","66.125","0.002","2040.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H58 Al B Ho N7 -","- C35 H58 Al B Ho N7 -","- C70 H116 Al2 B2 Ho2 N14 -","2","1","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.0656","0.0432","","","0.0908","0.0992","","","","","","1.046","","","","has coordinates,has disorder","290838","2024-04-04","22:45:42",""
"1570820","11.4785","0.0019","17.511","0.003","14.619","0.002","90","","105.928","0.004","90","","2825.6","0.8","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C55 H91 B N9 O3 Y -","- C55 H91 B N9 O3 Y -","- C110 H182 B2 N18 O6 Y2 -","2","1","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.1104","0.0971","","","0.2325","0.2385","","","","","","1.115","","","","has coordinates,has disorder","290838","2024-04-04","22:45:42",""
"1570821","10.767","0.005","12.621","0.006","17.188","0.009","77.029","0.013","81.681","0.016","88.061","0.009","2252.1","1.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H69 B Ho N7 -","- C44 H69 B Ho N7 -","- C88 H138 B2 Ho2 N14 -","2","1","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.0371","0.0344","","","0.0907","0.0925","","","","","","1.057","","","","has coordinates","290838","2024-04-04","22:45:42",""
"1570822","9.564","0.0011","23.328","0.003","18.369","0.002","90","","100.874","0.002","90","","4024.7","0.8","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38.5 H62 Al0.86 B Dy Ga0.14 N7 -","- C38.5 H62 Al0.855 B Dy Ga0.145 N7 -","- C154 H248 Al3.42 B4 Dy4 Ga0.58 N28 -","4","1","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.0462","0.0334","","","0.0719","0.0773","","","","","","1.042","","","","has coordinates,has disorder","290838","2024-04-04","22:45:42",""
"1570823","41.94","0.003","11.5627","0.0007","19.9969","0.0012","90","","102.894","0.001","90","","9452.8","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46.5 H71 B Dy N9 -","- C46.5 H71 B Dy N9 -","- C372 H568 B8 Dy8 N72 -","8","1","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.0629","0.0385","","","0.0773","0.087","","","","","","1.022","","","","has coordinates","290838","2024-04-04","22:45:42",""
"1570824","21.5531","0.0009","11.2886","0.0005","19.1515","0.0008","90","","108.049","0.001","90","","4430.4","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C43 H68 Al B Ho N7 -","- C43 H68 Al B Ho N7 -","- C172 H272 Al4 B4 Ho4 N28 -","4","1","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.0237","0.0216","","","0.0429","0.0438","","","","","","1.015","","","","has coordinates,has disorder","290838","2024-04-04","22:45:42",""
"1570825","12.1758","0.0012","17.8931","0.0017","23.26","0.002","90","","96.643","0.002","90","","5033.5","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49.5 H76 B Dy N8 -","- C49.5 H76 B Dy N8 -","- C198 H304 B4 Dy4 N32 -","4","1","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.082","0.0439","","","0.0888","0.1048","","","","","","1.018","","","","has coordinates,has disorder","290838","2024-04-04","22:45:42",""
"1570826","41.814","0.002","11.5565","0.0006","20.0524","0.001","90","","102.683","0.002","90","","9453.4","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46.5 H71 B Ho N9 -","- C46.5 H71 B Ho N9 -","- C372 H568 B8 Ho8 N72 -","8","1","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.1002","0.0519","","","0.0805","0.0939","","","","","","1.013","","","","has coordinates","290838","2024-04-04","22:45:42",""
"1570827","42.723","0.006","10.3005","0.0013","21.324","0.002","90","","90.449","0.002","90","","9384","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H72 B2 Dy N7 -","- C44 H72 B2 Dy N7 -","- C352 H576 B16 Dy8 N56 -","8","1","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.0552","0.0376","","","0.0806","0.0888","","","","","","1.022","","","","has coordinates","290838","2024-04-04","22:45:42",""
"1570828","10.851","0.002","20.269","0.004","22.192","0.005","96.949","0.003","96.699","0.003","100.067","0.003","4722.8","1.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H80 B Ho N8 O -","- C48 H80 B Ho N8 O -","- C192 H320 B4 Ho4 N32 O4 -","4","2","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.0703","0.0412","","","0.0832","0.0941","","","","","","1.01","","","","has coordinates,has disorder","290838","2024-04-04","22:45:42",""
"1570829","11.6084","0.001","18.3503","0.0015","18.8307","0.0015","90","","98.396","0.002","90","","3968.3","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H61 B Dy N7 -","- C37 H61 B Dy N7 -","- C148 H244 B4 Dy4 N28 -","4","1","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.0368","0.0279","","","0.0623","0.0667","","","","","","1.052","","","","has coordinates,has disorder","290838","2024-04-04","22:45:42",""
"1570830","9.8291","0.001","13.4472","0.0012","18.5931","0.0017","96.149","0.002","100.699","0.002","110.456","0.002","2222.7","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39.5 H67 B Ga Ho N6 -","- C39.5 H67 B Ga Ho N6 -","- C79 H134 B2 Ga2 Ho2 N12 -","2","1","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.0601","0.0469","","","0.1284","0.137","","","","","","1.09","","","","has coordinates,has disorder","290838","2024-04-04","22:45:42",""
"1570831","19.7303","0.0009","11.5097","0.0005","37.3911","0.0018","90","","90","","90","","8491.1","0.7","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H69 B Dy N7 O1.5 -","- C42 H69 B Dy N7 O1.5 -","- C336 H552 B8 Dy8 N56 O12 -","8","2","","Rieser, Theresa E.; Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Terminal dysprosium and holmium organoimides.","Chemical science","2024","15","10","3562","3570","10.1039/d3sc06584g","","","0.71073","MoKα","","0.0371","0.0316","","","0.0645","0.0669","","","","","","1.04","","","","has coordinates","290838","2024-04-04","22:45:42",""
"1570832","6.60006","0.00018","7.7434","0.0003","55.33","0.0013","90","","90","","90","","2827.75","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H46 O17 -","- C23 H46 O17 -","- C92 H184 O68 -","4","1","","Arishi, Amr A.; Shang, Zhuo; Lacey, Ernest; Crombie, Andrew; Vuong, Daniel; Li, Hang; Bracegirdle, Joe; Turner, Peter; Lewis, William; Flematti, Gavin R.; Piggott, Andrew M.; Chooi, Yit-Heng","Discovery and heterologous biosynthesis of glycosylated polyketide luteodienoside A reveals unprecedented glucinol-mediated product offloading by a fungal carnitine <i>O</i>-acyltransferase domain.","Chemical science","2024","15","9","3349","3356","10.1039/d3sc05008d","","x-ray","1.54184","CuKα","","0.0562","0.0528","","","0.0992","0.1013","","","","","","1.146","","","","has coordinates","290138","2024-03-04","20:05:30",""
"1570833","27.2958","0.0011","10.3051","0.0004","25.7535","0.001","90","","109.129","0.0017","90","","6844.1","0.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H34 N O6 P Pd S -","- C34 H34 N O6 P Pd S -","- C272 H272 N8 O48 P8 Pd8 S8 -","8","1","","Mirabal, Rafael A.; Buratynski, Javan A.; Scott, Ryan J.; Schipper, Derek J.","A palladium precatalyst for direct arylation polymerization","Polymer Chemistry","2024","15","9","847","852","10.1039/D3PY00878A","","","0.71073","MoKα","","0.0715","0.0424","","","0.0802","0.0847","","","","","","1.326","","","","has coordinates","290286","2024-03-04","20:46:53",""
"1570834","7.6542","0.0002","8.5911","0.0003","16.6247","0.0005","90","","94.622","0.003","90","","1089.65","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C6 H12 Cd Cl3 N3 -","- C6 H12 Cd Cl3 N3 -","- C24 H48 Cd4 Cl12 N12 -","4","1","","Xiao, Guowei; Ma, Yu-Juan; Qi, Zhenhong; Fang, Xiaoyu; Chen, Tianhong; Yan, Dongpeng","A flexible ligand and halogen engineering enable one phosphor-based full-color persistent luminescence in hybrid perovskitoids.","Chemical science","2024","15","10","3625","3632","10.1039/d3sc06845e","","","1.54178","CuKα","","0.0497","0.0494","","","0.1297","0.1299","","","","","","1.024","","","","has coordinates","290841","2024-04-04","22:46:36",""
"1570835","7.9948","0.0001","8.6736","0.0001","16.9504","0.0003","90","","95.696","0.002","90","","1169.6","0.03","100","0.1","100","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C6 H12 Br3 Cd N3 O0 -","- C6 H12 Br3 Cd N3 -","- C24 H48 Br12 Cd4 N12 -","4","1","","Xiao, Guowei; Ma, Yu-Juan; Qi, Zhenhong; Fang, Xiaoyu; Chen, Tianhong; Yan, Dongpeng","A flexible ligand and halogen engineering enable one phosphor-based full-color persistent luminescence in hybrid perovskitoids.","Chemical science","2024","15","10","3625","3632","10.1039/d3sc06845e","","","1.54178","CuKα","","0.055","0.054","","","0.1596","0.161","","","","","","1.041","","","","has coordinates","290841","2024-04-04","22:46:36",""
"1570836","7.1135","0.0003","7.7569","0.0003","8.8801","0.0004","90","","91.575","0.003","90","","489.81","0.04","282.01","0.1","282.01","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H11 Cd Cl2 N3 -","- C6 H11 Cd Cl2 N3 -","- C12 H22 Cd2 Cl4 N6 -","2","0.5","","Xiao, Guowei; Ma, Yu-Juan; Qi, Zhenhong; Fang, Xiaoyu; Chen, Tianhong; Yan, Dongpeng","A flexible ligand and halogen engineering enable one phosphor-based full-color persistent luminescence in hybrid perovskitoids.","Chemical science","2024","15","10","3625","3632","10.1039/d3sc06845e","","","1.54178","CuKα","","0.0664","0.0641","","","0.1819","0.1906","","","","","","1.042","","","","has coordinates","290841","2024-04-04","22:46:36",""
"1570837","9.0513","0.0002","8.0055","0.0002","14.166","0.0003","90","","90.092","0.002","90","","1026.47","0.04","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 Br2 Cd N3 O0 -","- C6 H11 Br2 Cd N3 -","- C24 H44 Br8 Cd4 N12 -","4","1","","Xiao, Guowei; Ma, Yu-Juan; Qi, Zhenhong; Fang, Xiaoyu; Chen, Tianhong; Yan, Dongpeng","A flexible ligand and halogen engineering enable one phosphor-based full-color persistent luminescence in hybrid perovskitoids.","Chemical science","2024","15","10","3625","3632","10.1039/d3sc06845e","","","1.54178","CuKα","","0.0532","0.0524","","","0.1492","0.1496","","","","","","1.088","","","","has coordinates","290841","2024-04-04","22:46:36",""
"1570838","7.2184","0.0002","8.1651","0.0002","8.9205","0.0002","90","","90.782","0.002","90","","525.72","0.02","282","2","282","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C6 H11 Br2 Cd N3 O0 -","- C6 H11 Br2 Cd N3 -","- C12 H22 Br4 Cd2 N6 -","2","0.5","","Xiao, Guowei; Ma, Yu-Juan; Qi, Zhenhong; Fang, Xiaoyu; Chen, Tianhong; Yan, Dongpeng","A flexible ligand and halogen engineering enable one phosphor-based full-color persistent luminescence in hybrid perovskitoids.","Chemical science","2024","15","10","3625","3632","10.1039/d3sc06845e","","","1.54178","CuKα","","0.0498","0.0491","","","0.1376","0.1383","","","","","","1.09","","","","has coordinates","290841","2024-04-04","22:46:36",""
"1570839","8.9307","0.0003","7.6716","0.0002","14.0159","0.0004","90","","92.145","0.003","90","","959.6","0.05","99.97","0.15","99.97","0.15","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 Cd Cl2 N3 O0 -","- C6 H11 Cd Cl2 N3 -","- C24 H44 Cd4 Cl8 N12 -","4","1","","Xiao, Guowei; Ma, Yu-Juan; Qi, Zhenhong; Fang, Xiaoyu; Chen, Tianhong; Yan, Dongpeng","A flexible ligand and halogen engineering enable one phosphor-based full-color persistent luminescence in hybrid perovskitoids.","Chemical science","2024","15","10","3625","3632","10.1039/d3sc06845e","","","1.54178","CuKα","","0.0615","0.06","","","0.1878","0.1886","","","","","","1.085","","","","has coordinates","290841","2024-04-04","22:46:36",""
"1570840","12.558","0.003","16.386","0.003","18.212","0.004","90","","103.9","0.03","90","","3637.8","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1D-DGIST-18","","- C30 H39 N O11 S5 Zn -","- C30 H39 N O11 S5 Zn -","- C120 H156 N4 O44 S20 Zn4 -","4","1","","Jin, Kangwoo; Park, Nohyoon; Ahn, Yongdeok; Seo, Daeha; Moon, Dohyun; Sung, Jooyoung; Park, Jinhee","Solvent-induced structural transformation in a one-dimensional coordination polymer.","Nanoscale","2024","16","9","4571","4577","10.1039/d4nr00265b","","","0.7","synchrotron","","0.0624","0.0574","","","0.1624","0.1668","","","","","","1.072","","","","has coordinates,has disorder","291006","2024-04-04","23:56:37",""
"1570841","8.563","0.0017","16.995","0.003","17.633","0.004","90","","101.24","0.03","90","","2516.9","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1D-DGIST-18'","","- C22 H17 N O8 S Zn -","- C22 H17 N O8 S Zn -","- C88 H68 N4 O32 S4 Zn4 -","4","1","","Jin, Kangwoo; Park, Nohyoon; Ahn, Yongdeok; Seo, Daeha; Moon, Dohyun; Sung, Jooyoung; Park, Jinhee","Solvent-induced structural transformation in a one-dimensional coordination polymer.","Nanoscale","2024","16","9","4571","4577","10.1039/d4nr00265b","","","0.7","synchrotron","","0.1845","0.1148","","","0.3481","0.3789","","","","","","1.185","","","","has coordinates,has disorder","291006","2024-04-04","23:56:37",""
"1570842","18.659","0.004","19.486","0.004","17.039","0.003","90","","122.41","0.03","90","","5230","3","253","2","253","2","","","","","","","","5","C 1 c 1","C -2yc","9","","3D-DGIST-18","","- C49 H39 N5 O15 Zn2 -","- C49 H39 N5 O15 Zn2 -","- C196 H156 N20 O60 Zn8 -","4","1","","Jin, Kangwoo; Park, Nohyoon; Ahn, Yongdeok; Seo, Daeha; Moon, Dohyun; Sung, Jooyoung; Park, Jinhee","Solvent-induced structural transformation in a one-dimensional coordination polymer.","Nanoscale","2024","16","9","4571","4577","10.1039/d4nr00265b","","","0.7","synchrotron","","0.0394","0.0387","","","0.1059","0.1066","","","","","","1.044","","","","has coordinates,has disorder","291006","2024-04-04","23:56:37",""
"1570843","6.774","0.002","13.257","0.004","20.637","0.006","90","","97.183","0.008","90","","1838.7","0.9","300","2","300","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C24 H15 N3 O3 -","- C24 H15 N3 O3 -","- C96 H60 N12 O12 -","4","1","","Pandit, Sulekha Kumari KUMARI; Das, Sanjana; Das, Gopal","Self-assembled Emissive Probe for Efficient Sensing of Fe(III) and Cysteine in the Physiological Medium: Application in Real Water and Food Sample","Sensors & Diagnostics","2024","","","","","10.1039/D3SD00306J","","","0.71073","MoKα","","0.2365","0.1464","","","0.4017","0.4682","","","","","","1.51","","","","has coordinates","289228","2024-01-31","02:47:59",""
"1570844","9.3426","0.0007","13.6019","0.0009","19.5752","0.0013","75.524","0.002","76.84","0.002","89.604","0.002","2342","0.3","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H41 N2 O -","- C25 H41 N2 O -","- C100 H164 N8 O4 -","4","2","","Vermersch, François; Wang, Victor T.; Abdellaoui, Mehdi; Jazzar, Rodolphe; Bertrand, Guy","Ambiphilicity of ring-expanded N-heterocyclic carbenes.","Chemical science","2024","15","10","3707","3710","10.1039/d3sc04543a","","x-ray","0.71073","MoKα","","0.1265","0.0626","","","0.1315","0.1566","","","","","","0.979","","","","has coordinates","290837","2024-04-04","22:44:26",""
"1570845","9.9626","0.0002","12.7843","0.0002","13.6552","0.0002","69.243","0.001","75.674","0.001","87.52","0.001","1573.84","0.05","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C38 H50 N2 -","- C38 H50 N2 -","- C76 H100 N4 -","2","1","","Vermersch, François; Wang, Victor T.; Abdellaoui, Mehdi; Jazzar, Rodolphe; Bertrand, Guy","Ambiphilicity of ring-expanded N-heterocyclic carbenes.","Chemical science","2024","15","10","3707","3710","10.1039/d3sc04543a","","x-ray","1.54178","CuKα","K-L~3~","0.0486","0.0397","","","0.0965","0.1023","","","","","","1.036","","","","has coordinates","290837","2024-04-04","22:44:26",""
"1570846","10.4427","0.0009","24.913","0.002","11.5295","0.0009","90","","116.382","0.004","90","","2687.1","0.4","100.15","","100.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H45 N3 -","- C29 H45 N3 -","- C116 H180 N12 -","4","1","","Vermersch, François; Wang, Victor T.; Abdellaoui, Mehdi; Jazzar, Rodolphe; Bertrand, Guy","Ambiphilicity of ring-expanded N-heterocyclic carbenes.","Chemical science","2024","15","10","3707","3710","10.1039/d3sc04543a","","x-ray","1.54178","CuKα","K-L~3~","0.0645","0.0479","","","0.1204","0.1317","","","","","","1.032","","","","has coordinates","290837","2024-04-04","22:44:26",""
"1570847","10.1396","0.0004","20.3171","0.0008","19.4251","0.0007","90","","100.025","0.001","90","","3940.6","0.3","273.15","","273.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C47 H65 N3 -","- C47 H65 N3 -","- C188 H260 N12 -","4","1","","Vermersch, François; Wang, Victor T.; Abdellaoui, Mehdi; Jazzar, Rodolphe; Bertrand, Guy","Ambiphilicity of ring-expanded N-heterocyclic carbenes.","Chemical science","2024","15","10","3707","3710","10.1039/d3sc04543a","","x-ray","0.71073","MoKα","K-L~3~","0.0665","0.0441","","","0.0961","0.1063","","","","","","1.026","","","","has coordinates,has disorder","290837","2024-04-04","22:44:26",""
"1570848","20.277","0.003","10.5458","0.0012","18.401","0.002","90","","92.839","0.006","90","","3930","0.8","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C46 H63 N3 -","- C46 H63 N3 -","- C184 H252 N12 -","4","1","","Vermersch, François; Wang, Victor T.; Abdellaoui, Mehdi; Jazzar, Rodolphe; Bertrand, Guy","Ambiphilicity of ring-expanded N-heterocyclic carbenes.","Chemical science","2024","15","10","3707","3710","10.1039/d3sc04543a","","x-ray","1.54178","CuKα","K-L~3~","0.0986","0.0714","","","0.1465","0.1601","","","","","","1.089","","","","has coordinates","290837","2024-04-04","22:44:26",""
"1570849","15.926","0.0009","15.8347","0.0008","14.355","0.0008","90","","116.049","0.002","90","","3252.4","0.3","273.15","","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H50 N2 Se -","- C36 H50 N2 Se -","- C144 H200 N8 Se4 -","4","1","","Vermersch, François; Wang, Victor T.; Abdellaoui, Mehdi; Jazzar, Rodolphe; Bertrand, Guy","Ambiphilicity of ring-expanded N-heterocyclic carbenes.","Chemical science","2024","15","10","3707","3710","10.1039/d3sc04543a","","x-ray","0.71073","MoKα","K-L~3~","0.0425","0.032","","","0.0768","0.0824","","","","","","1.023","","","","has coordinates","290837","2024-04-04","22:44:26",""
"1570850","19.8071","0.0009","13.3759","0.0007","17.5615","0.0008","90","","110.97","0.002","90","","4344.5","0.4","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 N2 Se -","- C24 H32 N2 Se -","- C192 H256 N16 Se8 -","8","1","","Vermersch, François; Wang, Victor T.; Abdellaoui, Mehdi; Jazzar, Rodolphe; Bertrand, Guy","Ambiphilicity of ring-expanded N-heterocyclic carbenes.","Chemical science","2024","15","10","3707","3710","10.1039/d3sc04543a","","","0.71073","MoKα","","0.0254","0.0218","","","0.0539","0.0555","","","","","","1.0371","","","","has coordinates","290837","2024-04-04","22:44:26",""
"1570851","10.8568","0.0004","19.2449","0.0008","21.6617","0.0007","87.096","0.001","78.386","0.001","85.535","0.002","4417","0.3","173","2","173","","","","","","","","","4","P -1","-P 1","2","","","","- C93 H124 Lu2 N6 -","- C93 H124 Lu2 N6 -","- C186 H248 Lu4 N12 -","2","1","","Jiang, Wen; Rajeshkumar, Thayalan; Guo, Mengyue; Lin, Yuejian; Maron, Laurent; Zhang, Lixin","Rare-earth metal ethylene and ethyne complexes.","Chemical science","2024","15","10","3495","3501","10.1039/d3sc06599e","","","0.71073","MoKα","","0.047","0.0311","","","0.067","0.0726","","","","","","1.022","","","","has coordinates","290839","2024-04-04","22:46:10",""
"1570852","21.3577","0.0008","11.1948","0.0004","21.482","0.0009","90","","90.068","0.002","90","","5136.2","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C102 H153 Al4 N10 Y2 -","- C102 H163 Al4 N10 Y2 -","- C204 H326 Al8 N20 Y4 -","2","1","","Jiang, Wen; Rajeshkumar, Thayalan; Guo, Mengyue; Lin, Yuejian; Maron, Laurent; Zhang, Lixin","Rare-earth metal ethylene and ethyne complexes.","Chemical science","2024","15","10","3495","3501","10.1039/d3sc06599e","","","1.34138","GaKα","","0.0832","0.0687","","","0.1773","0.191","","","","","","1.009","","","","has coordinates","290839","2024-04-04","22:46:11",""
"1570853","13.5651","0.0005","18.5143","0.0007","19.5102","0.0007","63.387","0.002","78.245","0.002","77.166","0.002","4240.7","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H128 Al2 N6 Y2 -","- C92 H128 Al2 N6 Y2 -","- C184 H256 Al4 N12 Y4 -","2","1","","Jiang, Wen; Rajeshkumar, Thayalan; Guo, Mengyue; Lin, Yuejian; Maron, Laurent; Zhang, Lixin","Rare-earth metal ethylene and ethyne complexes.","Chemical science","2024","15","10","3495","3501","10.1039/d3sc06599e","","","1.34138","GaKα","","0.0698","0.0557","","","0.1494","0.161","","","","","","1.038","","","","has coordinates,has disorder","290839","2024-04-04","22:46:11",""
"1570854","11.4571","0.0012","19.681","0.003","21.041","0.003","90","","99.503","0.003","90","","4679.4","1.1","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H66 Al N3 Y -","- C49 H73 Al N3 Y -","- C196 H292 Al4 N12 Y4 -","4","1","","Jiang, Wen; Rajeshkumar, Thayalan; Guo, Mengyue; Lin, Yuejian; Maron, Laurent; Zhang, Lixin","Rare-earth metal ethylene and ethyne complexes.","Chemical science","2024","15","10","3495","3501","10.1039/d3sc06599e","","","0.71073","MoKα","","0.0748","0.0412","","","0.0974","0.1101","","","","","","1.028","","","","has coordinates,has disorder","290839","2024-04-04","22:46:11",""
"1570855","11.4749","0.0004","19.6122","0.0007","20.979","0.0009","90","","99.088","0.001","90","","4662","0.3","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H73 Al Lu N3 -","- C49 H71 Al Lu N3 -","- C196 H284 Al4 Lu4 N12 -","4","1","","Jiang, Wen; Rajeshkumar, Thayalan; Guo, Mengyue; Lin, Yuejian; Maron, Laurent; Zhang, Lixin","Rare-earth metal ethylene and ethyne complexes.","Chemical science","2024","15","10","3495","3501","10.1039/d3sc06599e","","","0.71073","MoKα","","0.0441","0.0277","","","0.0602","0.0661","","","","","","1.01","","","","has coordinates,has disorder","290839","2024-04-04","22:46:11",""
"1570856","21.5841","0.0006","30.8815","0.0009","16.132","0.0005","90","","94.119","0.001","90","","10725","0.5","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C110 H176 Al4 N6 Y2 -","- C110 H176 Al4 N6 Y2 -","- C440 H704 Al16 N24 Y8 -","4","1","","Jiang, Wen; Rajeshkumar, Thayalan; Guo, Mengyue; Lin, Yuejian; Maron, Laurent; Zhang, Lixin","Rare-earth metal ethylene and ethyne complexes.","Chemical science","2024","15","10","3495","3501","10.1039/d3sc06599e","","","1.34139","GaKα","","0.0553","0.0478","","","0.122","0.129","","","","","","1.021","","","","has coordinates,has disorder","290839","2024-04-04","22:46:11",""
"1570857","5.3341","0.0011","7.7048","0.0016","20.413","0.004","90","","90","","90","","838.9","0.3","150","2","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 O3 -","- C9 H14 O3 -","- C36 H56 O12 -","4","1","","Shan, Si-Yi; Zhang, Wei; Cao, Qing; Ye, Yun-Cong; Cai, Zhongzheng; Zhu, Jian-Bo","cis-Fused cyclohexane promoted the chemical recycling of polycarbonate to monomer","Polymer Chemistry","2024","15","11","1070","1076","10.1039/D4PY00005F","","","1.54178","CuKα","","0.0312","0.031","","","0.0774","0.0775","","","","","","1.096","","","","has coordinates","291071","2024-04-05","00:18:33",""
"1570858","12.1089","0.0003","13.3568","0.0003","14.0513","0.0004","90","","98.955","0.003","90","","2244.9","0.1","100","0.13","100","0.13","","","","","","","","7","P 1 21 1","P 2yb","4","","Bis[2,6-bis(benzimidazol-2-yl)pyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']nickel(II) bis(trifluoromethanesulfonate) diethyl ether monosolvate","","- C44 H36 F6 N10 Ni O7 S2 -","- C44 H36 F6 N10 Ni O7 S2 -","- C88 H72 F12 N20 Ni2 O14 S4 -","2","1","VM4063","Ruiz, Sarah E.; Arman, Hadi D.; Adrian, Rafael A.","Bis[2,6-bis(benzimidazol-2-yl)pyridine-κ3 N,N′,N′′]nickel(II) bis(trifluoromethanesulfonate) diethyl ether monosolvate","IUCrData","2024","9","1","","","10.1107/S2414314624000889","","x-ray","1.54184","CuKα","","0.0597","0.0575","","","0.1351","0.1364","","","","","","1.07","","","","has coordinates","289259","2024-02-01","03:25:22",""
"1570859","20.0056","0.0004","29.2892","0.0006","8.03827","0.00016","90","","95.696","0.002","90","","4686.75","0.16","140","0.1","140","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H57 Au3 N6 O3 -","- C48 H57 Au3 N6 O3 -","- C192 H228 Au12 N24 O12 -","4","1","","Eren, Noga; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Molecular imine cages with π-basic Au<sub>3</sub>(pyrazolate) faces.","Chemical science","2024","15","10","3539","3544","10.1039/d3sc06280e","","x-ray","0.71073","MoKα","","0.0558","0.0295","","","0.0519","0.0575","","","","","","0.998","","","","has coordinates,has disorder","290842","2024-04-04","22:47:13",""
"1570860","8.3005","0.0006","17.0876","0.001","19.6636","0.0009","68.3","0.005","87.8","0.005","82.613","0.005","2569.7","0.3","229.99","0.1","229.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C49.25 H59.5 Au3 Cl2.5 N6 O3 -","- C48 H57 Au3 N6 O3 -","- C96 H114 Au6 N12 O6 -","2","1","","Eren, Noga; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Molecular imine cages with π-basic Au<sub>3</sub>(pyrazolate) faces.","Chemical science","2024","15","10","3539","3544","10.1039/d3sc06280e","","x-ray","1.54184","CuKα","","0.1083","0.0609","","","0.1546","0.1994","","","","","","1.011","","","","has coordinates,has disorder","290842","2024-04-04","22:47:14",""
"1570861","15.634","0.0003","17.1978","0.0002","25.4548","0.0004","94.8137","0.0012","107.046","0.0015","107.447","0.0015","6130.61","0.19","140","0.1","140","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C109 H140 Au6 Cl8 N18 -","- C105 H132 Au6 N18 -","- C210 H264 Au12 N36 -","2","1","","Eren, Noga; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Molecular imine cages with π-basic Au<sub>3</sub>(pyrazolate) faces.","Chemical science","2024","15","10","3539","3544","10.1039/d3sc06280e","","x-ray","1.54184","CuKα","","0.062","0.0446","","","0.1119","0.1184","","","","","","1.047","","","","has coordinates,has disorder","290842","2024-04-04","22:47:14",""
"1570862","20.8869","0.0006","21.3091","0.0007","21.4286","0.0004","96.246","0.002","97.033","0.002","105.196","0.003","9035.4","0.5","140","","140","","","","","","","","","5","P -1","-P 1","2","","","","- C132.75 H163.5 Au6 Cl25.5 N18 -","- C120 H138 Au6 N18 -","- C240 H276 Au12 N36 -","2","1","","Eren, Noga; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Molecular imine cages with π-basic Au<sub>3</sub>(pyrazolate) faces.","Chemical science","2024","15","10","3539","3544","10.1039/d3sc06280e","","x-ray","1.54184","CuKα","","0.078","0.0536","","","0.1577","0.1671","","","","","","1.053","","","","has coordinates","290842","2024-04-04","22:47:14",""
"1570863","27.6564","0.0002","27.7466","0.0003","28.2657","0.0003","112.451","0.001","94.9615","0.0008","119.208","0.001","16466.2","0.4","229.99","0.1","229.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C241.5 H301.5 Au12 Cl51 N40 -","- C216 H276 Au12 N40 -","- C432 H552 Au24 N80 -","2","1","","Eren, Noga; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Molecular imine cages with π-basic Au<sub>3</sub>(pyrazolate) faces.","Chemical science","2024","15","10","3539","3544","10.1039/d3sc06280e","","x-ray","1.54184","CuKα","","0.0863","0.0684","","","0.1956","0.205","","","","","","1.054","","","","has coordinates","290842","2024-04-04","22:47:14",""
"1570864","22.1659","0.00019","24.2178","0.0002","26.9851","0.0002","91.9058","0.0007","104.092","0.0008","94.9457","0.0007","13975.5","0.2","140.15","","140.15","","","","","","","","","6","P -1","-P 1","2","","","","- C280 H276 Au12 Cl12 D4 N40 -","- C278 H276 Au12 Cl6 D2 N40 -","- C556 H552 Au24 Cl12 D4 N80 -","2","1","","Eren, Noga; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Molecular imine cages with π-basic Au<sub>3</sub>(pyrazolate) faces.","Chemical science","2024","15","10","3539","3544","10.1039/d3sc06280e","","x-ray","1.54184","CuKα","","0.0669","0.0598","","","0.1644","0.1693","","","","","","1.045","","","","has coordinates,has disorder","290842","2024-04-04","22:47:14",""
"1570865","27.2311","0.0003","27.3567","0.0003","27.4198","0.0004","62.4166","0.0013","79.9283","0.0011","72.2345","0.0009","17227.7","0.4","229.99","0.1","229.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C312 H298 Au12 Cl52 N40 -","- C286 H272 Au12 N40 -","- C572 H544 Au24 N80 -","2","1","","Eren, Noga; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Molecular imine cages with π-basic Au<sub>3</sub>(pyrazolate) faces.","Chemical science","2024","15","10","3539","3544","10.1039/d3sc06280e","","x-ray","1.54184","CuKα","","0.0751","0.057","","","0.1642","0.1738","","","","","","1.06","","","","has coordinates","290842","2024-04-04","22:47:14",""
"1570866","10.1199","0.0001","10.1199","0.0001","38.9943","0.0004","90","","90","","90","","3993.5","0.07","100","0.1","100","0.1","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","R-Sb","","- C27 H60 Cl6 N2 O12 Sb -","- C27 H60 Cl6 N2 O12 Sb -","- C108 H240 Cl24 N8 O48 Sb4 -","4","0.5","","Han, Xiao; Cheng, Puxin; Han, Shanshan; Wang, Zhihua; Guan, Junjie; Han, Wenqing; Shi, Rongchao; Chen, Songhua; Zheng, Yongshen; Xu, Jialiang; Bu, Xian-He","Multi-stimuli-responsive luminescence enabled by crown ether anchored chiral antimony halide phosphors.","Chemical science","2024","15","10","3530","3538","10.1039/d3sc06362c","","","1.54178","CuKα","","0.0652","0.0639","","","0.1861","0.1875","","","","","","1.075","","","","has coordinates","290840","2024-04-04","22:46:23",""
"1570867","10.3335","0.0002","14.7221","0.0004","13.4584","0.0004","90","","97.826","0.002","90","","2028.37","0.09","100","0.1","100","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","rac-Sb","","- C27 H60 Cl6 N2 O12 Sb -","- C27 H60 Cl6 N2 O12 Sb -","- C54 H120 Cl12 N4 O24 Sb2 -","2","0.5","","Han, Xiao; Cheng, Puxin; Han, Shanshan; Wang, Zhihua; Guan, Junjie; Han, Wenqing; Shi, Rongchao; Chen, Songhua; Zheng, Yongshen; Xu, Jialiang; Bu, Xian-He","Multi-stimuli-responsive luminescence enabled by crown ether anchored chiral antimony halide phosphors.","Chemical science","2024","15","10","3530","3538","10.1039/d3sc06362c","","x-ray","0.71073","MoKα","","0.1118","0.1023","","","0.2833","0.2917","","","","","","1.051","","","","has coordinates,has disorder","290840","2024-04-04","22:46:24",""
"1570868","9.1622","0.0001","10.5718","0.0002","19.3536","0.0004","90","","90","","90","","1874.61","0.06","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","S-er an-SbCl","","- C6 H24 Cl7 N4 Sb -","- C6 H24 Cl7 N4 Sb -","- C24 H96 Cl28 N16 Sb4 -","4","1","","Han, Xiao; Cheng, Puxin; Han, Shanshan; Wang, Zhihua; Guan, Junjie; Han, Wenqing; Shi, Rongchao; Chen, Songhua; Zheng, Yongshen; Xu, Jialiang; Bu, Xian-He","Multi-stimuli-responsive luminescence enabled by crown ether anchored chiral antimony halide phosphors.","Chemical science","2024","15","10","3530","3538","10.1039/d3sc06362c","","x-ray","0.71073","MoKα","","0.0139","0.0135","","","0.0288","0.0289","","","","","","1.046","","","","has coordinates","290840","2024-04-04","22:46:24",""
"1570869","10.11536","0.00004","10.11536","0.00004","38.9841","0.0002","90","","90","","90","","3988.87","0.03","100","2","100","0.1","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C27 H60 Cl6 N2 O12 Sb -","- C27 H60 Cl6 N2 O12 Sb -","- C108 H240 Cl24 N8 O48 Sb4 -","4","0.5","","Han, Xiao; Cheng, Puxin; Han, Shanshan; Wang, Zhihua; Guan, Junjie; Han, Wenqing; Shi, Rongchao; Chen, Songhua; Zheng, Yongshen; Xu, Jialiang; Bu, Xian-He","Multi-stimuli-responsive luminescence enabled by crown ether anchored chiral antimony halide phosphors.","Chemical science","2024","15","10","3530","3538","10.1039/d3sc06362c","","","1.54178","CuKα","","0.066","0.0652","","","0.1762","0.177","","","","","","1.058","","","","has coordinates,has disorder","290840","2024-04-04","22:46:24",""
"1570870","9.2535","0.0018","14.9","0.003","17.885","0.004","90","","101.861","0.004","90","","2413.3","0.9","296.15","","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H34 O -","- C29 H34 O -","- C116 H136 O4 -","4","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","","0.71073","MoKα","","0.104","0.0567","","","0.1514","0.1763","","","","","","1.03","","","","has coordinates,has disorder","290864","2024-04-04","22:56:30",""
"1570871","12.8327","0.0004","13.0654","0.0003","15.244","0.0005","94.104","0.002","114.041","0.003","108.338","0.002","2156.01","0.13","283","1","283","1","","","","","","","","4","P -1","-P 1","2","","","","- C54 H53 Br O -","- C54 H53 Br O -","- C108 H106 Br2 O2 -","2","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","x-ray","1.54184","CuKα","","0.1686","0.1461","","","0.4206","0.4423","","","","","","1.831","","","","has coordinates","290864","2024-04-04","22:56:31",""
"1570872","7.2553","0.0015","20.45","0.004","18.243","0.004","90","","100.989","0.004","90","","2657.1","1","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 O -","- C33 H36 O -","- C132 H144 O4 -","4","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","","0.71073","MoKα","","0.1499","0.0723","","","0.1984","0.2446","","","","","","1.019","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570873","8.6293","0.0012","12.4614","0.0017","26.146","0.004","90","","94.519","0.002","90","","2802.8","0.7","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C35 H38 O -","- C35 H38 O -","- C140 H152 O4 -","4","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","","0.71073","MoKα","","0.0705","0.0553","","","0.1372","0.1499","","","","","","1.064","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570874","12.819","0.003","13.093","0.003","14.822","0.003","93.696","0.005","114.031","0.004","108.413","0.005","2101.6","0.8","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H48 Cl2 O -","- C52 H48 Cl2 O -","- C104 H96 Cl4 O2 -","2","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","","0.71073","MoKα","","0.1634","0.0812","","","0.205","0.2373","","","","","","1.093","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570875","12.8029","0.0002","13.1018","0.0002","15.0559","0.0003","93.947","0.002","113.886","0.002","108.27","0.002","2136.32","0.08","302.47","0.1","302.47","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C53 H51 I O -","- C53 H51 I O -","- C106 H102 I2 O2 -","2","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","x-ray","1.54184","CuKα","","0.1006","0.089","","","0.2625","0.2771","","","","","","1.12","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570876","11.3897","0.0003","18.137","0.0004","19.2706","0.0005","83.875","0.002","81.204","0.002","81.729","0.002","3878.46","0.17","292.5","0.9","292.5","0.9","","","","","","","","3","P -1","-P 1","2","","","","- C51 H46 O -","- C51 H46 O -","- C204 H184 O4 -","4","2","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","x-ray","1.54184","CuKα","","0.0776","0.0563","","","0.1552","0.167","","","","","","1.059","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570877","18.7443","0.0006","10.4995","0.0003","24.1927","0.0008","90","","110.663","0.004","90","","4455","0.3","302.33","0.1","302.33","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C53 H49 Cl3 O -","- C53 H49 Cl3 O -","- C212 H196 Cl12 O4 -","4","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","x-ray","1.54184","CuKα","","0.0952","0.0832","","","0.2708","0.284","","","","","","1.067","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570878","13.254","0.003","11.559","0.0016","38.103","0.005","90","","90","","90","","5837.5","1.7","296","2","296.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C37 H38 O -","- C37 H38 O -","- C296 H304 O8 -","8","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","","0.71073","MoKα","","0.0975","0.058","","","0.1279","0.1495","","","","","","1.0934","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570879","12.795","0.009","13.079","0.009","14.955","0.01","93.844","0.009","114.095","0.009","108.298","0.009","2113","3","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C52 H48 Br2 O -","- C52 H48 Br2 O -","- C104 H96 Br4 O2 -","2","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","","0.71073","MoKα","","0.2441","0.0907","","","0.2321","0.3248","","","","","","0.9525","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570880","11.3923","0.0002","18.1449","0.0005","19.2809","0.0005","83.916","0.002","81.263","0.002","81.85","0.002","3885.01","0.16","285.7","0.8","285.7","0.8","","","","","","","","3","P -1","-P 1","2","","","","- C51 H46 O -","- C51 H46 O -","- C204 H184 O4 -","4","2","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","x-ray","1.54184","CuKα","","0.0526","0.0457","","","0.1326","0.1383","","","","","","1.076","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570881","11.379","0.0002","18.1303","0.0003","19.2624","0.0004","83.876","0.002","81.273","0.002","81.763","0.002","3872.71","0.13","291","1","291","1","","","","","","","","3","P -1","-P 1","2","","","","- C51 H46 O -","- C51 H46 O -","- C204 H184 O4 -","4","2","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","x-ray","1.54184","CuKα","","0.0767","0.0573","","","0.1555","0.1682","","","","","","1.072","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570882","13.074","0.004","13.147","0.004","14.493","0.005","69.147","0.007","66.505","0.007","89.161","0.008","2111.3","1.2","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C52 H51 I O2 -","- C51.944 H50.832 I0.944 O2 -","- C103.888 H101.664 I1.888 O4 -","2","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","","0.71073","MoKα","","0.1159","0.0845","","","0.2268","0.2664","","","","","","1.078","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570883","9.3608","0.0017","14.084","0.003","14.199","0.003","66.933","0.003","81.559","0.003","75.738","0.003","1666.6","0.6","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","","","- C43 H42 O -","- C43 H42 O -","- C86 H84 O2 -","2","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","","0.71073","MoKα","","0.0964","0.0651","","","0.189","0.2188","","","","","","1.072","","","","has coordinates","290864","2024-04-04","22:56:31",""
"1570884","12.8128","0.0004","12.9995","0.0004","15.1372","0.0004","93.822","0.001","114.442","0.001","108.377","0.001","2120.8","0.11","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C53 H50 Cl2 O -","- C53 H50 Cl2 O -","- C106 H100 Cl4 O2 -","2","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","","1.34138","GaKα","","0.0641","0.0519","","","0.1551","0.1653","","","","","","1.1","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570885","12.8123","0.0005","13.0931","0.0005","14.9329","0.0005","93.704","0.003","113.887","0.004","108.24","0.004","2121.92","0.17","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H51 Br O -","- C53 H51 Br O -","- C106 H102 Br2 O2 -","2","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","x-ray","1.54184","CuKα","","0.132","0.0998","","","0.273","0.2954","","","","","","1.055","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570886","12.8331","0.0003","13.021","0.0003","15.1558","0.0003","93.893","0.002","114.337","0.002","108.437","0.002","2130.7","0.1","303","0.1","303","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C53 H50 Cl2 O -","- C53 H50 Cl2 O -","- C106 H100 Cl4 O2 -","2","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","x-ray","1.54184","CuKα","","0.0655","0.0587","","","0.1835","0.1943","","","","","","1.119","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570887","12.8218","0.0002","13.0029","0.0002","15.1355","0.0002","93.833","0.001","114.434","0.001","108.369","0.001","2122.79","0.06","288","0.1","288","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C53 H50 Cl2 O -","- C53 H50 Cl2 O -","- C106 H100 Cl4 O2 -","2","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","x-ray","1.54184","CuKα","","0.0692","0.0653","","","0.1942","0.1982","","","","","","1.095","","","","has coordinates","290864","2024-04-04","22:56:31",""
"1570888","12.84138","0.00018","13.04491","0.00019","15.1875","0.0002","94.0644","0.0012","114.237","0.0015","108.442","0.0013","2140.66","0.07","318","0.1","318","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C53 H50 Cl2 O -","- C53 H50 Cl2 O -","- C106 H100 Cl4 O2 -","2","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","x-ray","1.54184","CuKα","","0.0631","0.0578","","","0.1712","0.1764","","","","","","1.076","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570889","12.86643","0.00019","13.09253","0.00019","15.2541","0.0002","94.3619","0.0012","114.007","0.0015","108.555","0.0013","2161.74","0.07","348","0.1","348","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C53 H50 Cl2 O -","- C53 H50 Cl2 O -","- C106 H100 Cl4 O2 -","2","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","x-ray","1.54184","CuKα","","0.0736","0.0664","","","0.2045","0.2123","","","","","","1.1","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570890","12.85566","0.00017","13.0694","0.00017","15.2213","0.0002","94.2229","0.0011","114.117","0.0014","108.484","0.0012","2151.92","0.06","333","0.1","333","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C53 H50 Cl2 O -","- C53 H50 Cl2 O -","- C106 H100 Cl4 O2 -","2","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","x-ray","1.54184","CuKα","","0.0699","0.0632","","","0.1961","0.2037","","","","","","1.08","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570891","11.3817","0.0017","18.157","0.003","19.306","0.003","83.855","0.002","81.23","0.002","81.719","0.002","3887.2","1.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C51 H46 O -","- C51 H46 O -","- C204 H184 O4 -","4","2","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","","0.71073","MoKα","","0.1008","0.0731","","","0.196","0.2234","","","","","","1.0625","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570892","23.4881","0.0012","30.1131","0.0018","48.101","0.003","90","","90","","90","","34022","3","296","2","296","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","Ni10(pMPT)20","","- C140 H140 Ni10 S20 -","- C140 H140 Ni10 S20 -","- C1120 H1120 Ni80 S160 -","8","0.25","","Xiang, Huixin; Cheng, Ranran; Ruan, Chenhao; Meng, Changqing; Gan, Yuzheng; Cheng, Wanyu; Zhao, Yue; Xu, Cong-Qiao; Li, Jun; Yao, Chuanhao","A homologous series of macrocyclic Ni clusters: synthesis, structures, and catalytic properties.","Nanoscale","2024","16","9","4563","4570","10.1039/d3nr06015b","","","0.71073","MoKα","","0.0845","0.0413","","","0.1216","0.1648","","","","","","0.959","","","","has coordinates","291008","2024-04-04","23:57:38",""
"1570893","28.916","0.007","28.916","0.007","69.42","0.03","90","","90","","120","","50268","3","173","","173","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Ni9(pMPT)18","","- C126 H126 Ni9 S18 -","- C126 H126 Ni9 S18 -","- C1512 H1512 Ni108 S216 -","12","0.333333","","Xiang, Huixin; Cheng, Ranran; Ruan, Chenhao; Meng, Changqing; Gan, Yuzheng; Cheng, Wanyu; Zhao, Yue; Xu, Cong-Qiao; Li, Jun; Yao, Chuanhao","A homologous series of macrocyclic Ni clusters: synthesis, structures, and catalytic properties.","Nanoscale","2024","16","9","4563","4570","10.1039/d3nr06015b","","x-ray","1.34139","GaKα","","0.0961","0.0666","","","0.1969","0.2151","","","","","","1.073","","","","has coordinates","291008","2024-04-04","23:57:38",""
"1570894","15.8579","0.0017","19.165","0.002","19.177","0.002","87.841","0.004","81.039","0.004","82.464","0.004","5706.5","1","193","","193","","","","","","","","","4","P 1","P 1","1","","Ni12(pMPT)24","","- C168 H168 Ni12 S24 -","- C168 H168 Ni12 S24 -","- C168 H168 Ni12 S24 -","1","1","","Xiang, Huixin; Cheng, Ranran; Ruan, Chenhao; Meng, Changqing; Gan, Yuzheng; Cheng, Wanyu; Zhao, Yue; Xu, Cong-Qiao; Li, Jun; Yao, Chuanhao","A homologous series of macrocyclic Ni clusters: synthesis, structures, and catalytic properties.","Nanoscale","2024","16","9","4563","4570","10.1039/d3nr06015b","","x-ray","0.71073","MoKα","","0.1108","0.0892","","","0.2578","0.2765","","","","","","1.022","","","","has coordinates","291008","2024-04-04","23:57:38",""
"1570895","23.683","0.003","27.568","0.004","29.823","0.004","90.121","0.007","90.422","0.007","98.048","0.007","19279","5","193","2","193","","","","","","","","","5","P -1","-P 1","2","","Ni11(pMPT)22","","- C308 H308 Ag0 Ni22 S44 -","- C308 H308 Ni22 S44 -","- C616 H616 Ni44 S88 -","2","1","","Xiang, Huixin; Cheng, Ranran; Ruan, Chenhao; Meng, Changqing; Gan, Yuzheng; Cheng, Wanyu; Zhao, Yue; Xu, Cong-Qiao; Li, Jun; Yao, Chuanhao","A homologous series of macrocyclic Ni clusters: synthesis, structures, and catalytic properties.","Nanoscale","2024","16","9","4563","4570","10.1039/d3nr06015b","","x-ray","1.34139","GaKα","","0.3337","0.148","","","0.3939","0.4836","","","","","","1.127","","","","has coordinates","291008","2024-04-04","23:57:38",""
"1570896","8.566","0.003","9.831","0.004","11.508","0.004","75.764","0.004","79.755","0.004","88.092","0.004","924.3","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H43 Br2 Co N8 O8 -","- C30 H43 Br2 Co N8 O8 -","- C30 H43 Br2 Co N8 O8 -","1","0.5","","Hu, Hong-Zhi; Yan, Yi-Bo; Wang, Na; Adila, Abuduheni; Liu, Yang; Liu, Zun-Qi","Phase Transition and Switchable Dielectric Properties of a Three-Dimensional Hydrogen-Bonding Framework Based on Cobalt (Ⅲ), o-Bromoaniline, and 18-Crown-6","Crystals","2024","14","1","87","","10.3390/cryst14010087","","","0.71073","MoKα","","0.0579","0.0489","","","0.1277","0.1343","","","","","","1.088","","","","has coordinates","289653","2024-02-04","18:12:23",""
"1570897","8.724","0.003","9.687","0.003","11.556","0.004","77.799","0.004","78.954","0.004","88.451","0.004","936.8","0.5","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H43 Br2 Co N8 O8 -","- C30 H43 Br2 Co N8 O8 -","- C30 H43 Br2 Co N8 O8 -","1","0.5","","Hu, Hong-Zhi; Yan, Yi-Bo; Wang, Na; Adila, Abuduheni; Liu, Yang; Liu, Zun-Qi","Phase Transition and Switchable Dielectric Properties of a Three-Dimensional Hydrogen-Bonding Framework Based on Cobalt (Ⅲ), o-Bromoaniline, and 18-Crown-6","Crystals","2024","14","1","87","","10.3390/cryst14010087","","","0.71073","MoKα","","0.0947","0.07","","","0.1738","0.1918","","","","","","1.054","","","","has coordinates","289654","2024-02-04","18:12:34",""
"1570898","9.834","0.009","12.609","0.01","16.946","0.016","90","","90.94","0.03","90","","2101","3","100","","100","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C19 H30 N3 O6.5 S -","- C19 H30 N3 O6.5 S -","- C76 H120 N12 O26 S4 -","4","2","","Buikin, Petr A.; Vologzhanina, Anna V.; Korlyukov, Alexander A.","Sumatriptan Succinate Hemi(Ethanol Solvate)","Molbank","2024","2024","1","M1766","","10.3390/M1766","","","0.71073","MoKα","","0.0561","0.0467","","","0.1134","0.1188","","","","","","1.025","","","","has coordinates","289656","2024-02-05","03:59:15",""
"1570899","10.1725","0.0003","10.5825","0.0003","18.4246","0.0005","90","","90","","90","","1983.42","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H17 O3 P -","- C26 H17 O3 P -","- C104 H68 O12 P4 -","4","1","","Ferraro, Valentina; Castro, Jesús; Bortoluzzi, Marco","Luminescent Behavior of Zn(II) and Mn(II) Halide Derivatives of 4-Phenyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-Oxide and Single-Crystal X-ray Structure Determination of the Ligand.","Molecules (Basel, Switzerland)","2024","29","1","239","","10.3390/molecules29010239","","","0.71073","MoKα","","0.0277","0.0273","","","0.0731","0.0734","","","","","","1.091","","","","has coordinates","289657","2024-02-05","05:05:52",""
"1570900","12.091","0.002","12.295","0.002","12.729","0.003","82.9","0.03","82.85","0.03","89.24","0.03","1863.2","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H43 Cl N O7 P Pd -","- C41 H43 Cl N O7 P Pd -","- C82 H86 Cl2 N2 O14 P2 Pd2 -","2","1","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.0506","0.0431","","","0.1143","0.1214","","","","","","1.085","","","","has coordinates,has disorder","289659","2024-02-05","05:06:11",""
"1570901","14.982","0.003","13.237","0.003","16.829","0.003","90","","112.78","0.03","90","","3077.1","1.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H33 Cl N O4 P Pd -","- C34 H33 Cl N O4 P Pd -","- C136 H132 Cl4 N4 O16 P4 Pd4 -","4","1","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.0823","0.0746","","","0.2366","0.2458","","","","","","1.138","","","","has coordinates,has disorder","289660","2024-02-05","05:06:26",""
"1570902","15.295","0.003","10.691","0.002","19.12","0.004","90","","99.74","0.03","90","","3081.4","1.1","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Cl F3 N O4 P Pd -","- C34 H30 Cl F3 N O4 P Pd -","- C136 H120 Cl4 F12 N4 O16 P4 Pd4 -","4","1","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.0273","0.026","","","0.0732","0.0741","","","","","","1.051","","","","has coordinates","289661","2024-02-05","05:06:41",""
"1570903","19.569","0.004","9.821","0.002","17.575","0.004","90","","90","","90","","3377.7","1.2","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C35 H37 Cl N O7 P Pd -","- C35 H37 Cl N O7 P Pd -","- C140 H148 Cl4 N4 O28 P4 Pd4 -","4","1","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.0278","0.0252","","","0.0647","0.066","","","","","","1.062","","","","has coordinates,has disorder","289662","2024-02-05","05:06:56",""
"1570904","9.905","0.002","34.151","0.007","9.978","0.002","90","","90.58","0.03","90","","3375","1.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H32 Cl4 N O4 P Pd -","- C33 H32 Cl4 N O4 P Pd -","- C132 H128 Cl16 N4 O16 P4 Pd4 -","4","2","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.0357","0.0343","","","0.0854","0.0866","","","","","","1.008","","","","has coordinates","289663","2024-02-05","05:07:12",""
"1570905","15.006","0.003","10.701","0.002","18.944","0.004","90","","95.65","0.03","90","","3027.2","1.1","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 Cl F3 N O4 P Pd -","- C32 H28 Cl F3 N O4 P Pd -","- C128 H112 Cl4 F12 N4 O16 P4 Pd4 -","4","1","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.0267","0.0262","","","0.0685","0.069","","","","","","1.076","","","","has coordinates","289664","2024-02-05","05:07:26",""
"1570906","10.17","0.002","18.904","0.004","17.274","0.003","90","","90.09","0.03","90","","3321","1.1","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Cl4 N O4 P Pd -","- C32 H28 Cl4 N O4 P Pd -","- C128 H112 Cl16 N4 O16 P4 Pd4 -","4","1","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.0901","0.0591","","","0.1746","0.2077","","","","","","1.031","","","","has coordinates,has disorder","289665","2024-02-05","05:07:42",""
"1570907","12.186","0.002","12.335","0.002","13.003","0.003","83.54","0.03","81.05","0.03","88.43","0.03","1918.4","0.7","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H43 Cl N O7 P Pd -","- C41 H43 Cl N O7 P Pd -","- C82 H86 Cl2 N2 O14 P2 Pd2 -","2","1","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.0443","0.0405","","","0.1207","0.1263","","","","","","1.042","","","","has coordinates,has disorder","289666","2024-02-05","05:07:57",""
"1570908","19.544","0.004","9.842","0.002","17.561","0.004","90","","90","","90","","3377.9","1.2","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C35 H37 Cl N O7 P Pd -","- C35 H37 Cl N O7 P Pd -","- C140 H148 Cl4 N4 O28 P4 Pd4 -","4","1","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.0422","0.0332","","","0.0822","0.0861","","","","","","1.083","","","","has coordinates,has disorder","289667","2024-02-05","05:08:14",""
"1570909","15.157","0.003","13.336","0.003","17.127","0.003","90","","112.74","0.03","90","","3192.8","1.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H33 Cl N O4 P Pd -","- C34 H33 Cl N O4 P Pd -","- C136 H132 Cl4 N4 O16 P4 Pd4 -","4","1","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.041","0.0351","","","0.1082","0.115","","","","","","1.041","","","","has coordinates","289668","2024-02-05","05:08:33",""
"1570910","10.1482","0.0009","11.1855","0.001","11.7055","0.0011","111.285","0.003","97.429","0.003","108.425","0.003","1128.98","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 Cu N4 O9 -","- C23 H20 Cu N4 O9 -","- C46 H40 Cu2 N8 O18 -","2","1","","Lin, Shu-Yu; Shen, Yi-Lin; Chen, Wei-Hao; Govindaraj, Manivannan; Chen, Jhy-Der","Cu(II) Coordination Polymers Containing Mixed Ligands with Different Flexibilities: Structural Diversity and Iodine Adsorption.","Molecules (Basel, Switzerland)","2024","29","2","311","","10.3390/molecules29020311","","","0.71073","MoKα","","0.0755","0.0555","","","0.1419","0.1668","","","","","","1.054","","","","has coordinates","289669","2024-02-05","05:09:38",""
"1570911","8.9062","0.0002","11.2565","0.0003","22.7418","0.0005","99.7718","0.0014","94.3827","0.0015","105.873","0.0014","2142.95","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H53 Cu1.5 N6 O17.5 -","- C36 H53 Cu1.5 N6 O17.5 -","- C72 H106 Cu3 N12 O35 -","2","1","","Lin, Shu-Yu; Shen, Yi-Lin; Chen, Wei-Hao; Govindaraj, Manivannan; Chen, Jhy-Der","Cu(II) Coordination Polymers Containing Mixed Ligands with Different Flexibilities: Structural Diversity and Iodine Adsorption.","Molecules (Basel, Switzerland)","2024","29","2","311","","10.3390/molecules29020311","","","0.71073","MoKα","","0.1158","0.055","","","0.1228","0.1452","","","","","","1.015","","","","has coordinates","289669","2024-02-05","05:09:39",""
"1570912","18.8531","0.0006","25.8032","0.0008","17.4503","0.0006","90","","99.4362","0.0019","90","","8374.2","0.5","191","2","191","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H27 Cu N2 O7 -","- C36 H27 Cu N2 O7 -","- C288 H216 Cu8 N16 O56 -","8","1","","Lin, Shu-Yu; Shen, Yi-Lin; Chen, Wei-Hao; Govindaraj, Manivannan; Chen, Jhy-Der","Cu(II) Coordination Polymers Containing Mixed Ligands with Different Flexibilities: Structural Diversity and Iodine Adsorption.","Molecules (Basel, Switzerland)","2024","29","2","311","","10.3390/molecules29020311","","","0.71073","MoKα","","0.1022","0.0536","","","0.1164","0.1345","","","","","","0.99","","","","has coordinates,has disorder","289669","2024-02-05","05:09:39",""
"1570913","16.5969","0.0004","13.9067","0.0004","17.611","0.0005","90","","90.2248","0.0009","90","","4064.73","0.19","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H38 Cu4 N4 O16 -","- C40 H38 Cu4 N4 O16 -","- C160 H152 Cu16 N16 O64 -","4","0.5","","Lin, Shu-Yu; Shen, Yi-Lin; Chen, Wei-Hao; Govindaraj, Manivannan; Chen, Jhy-Der","Cu(II) Coordination Polymers Containing Mixed Ligands with Different Flexibilities: Structural Diversity and Iodine Adsorption.","Molecules (Basel, Switzerland)","2024","29","2","311","","10.3390/molecules29020311","","","0.71073","MoKα","","0.0323","0.0265","","","0.069","0.0747","","","","","","1.085","","","","has coordinates,has disorder","289669","2024-02-05","05:09:39",""
"1570914","20.9682","0.001","25.3489","0.0011","18.1699","0.0008","90","","90","","90","","9657.7","0.8","165","2","165","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C100.5 H104 Cu3 N8 O20.5 -","- C100.5 H98 Cu3 N8 O20.5 -","- C402 H392 Cu12 N32 O82 -","4","1","","Lin, Shu-Yu; Shen, Yi-Lin; Chen, Wei-Hao; Govindaraj, Manivannan; Chen, Jhy-Der","Cu(II) Coordination Polymers Containing Mixed Ligands with Different Flexibilities: Structural Diversity and Iodine Adsorption.","Molecules (Basel, Switzerland)","2024","29","2","311","","10.3390/molecules29020311","","","0.71073","MoKα","","0.0664","0.0526","","","0.1408","0.1503","","","","","","1.026","","","","has coordinates,has disorder","289669","2024-02-05","05:09:39",""
"1570915","22.0739","0.0018","24.3392","0.0018","17.9481","0.0015","90","","90","","90","","9642.8","1.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C101 H101 Cu3 N9 O19 -","- C101 H99 Cu3 N9 O19 -","- C404 H396 Cu12 N36 O76 -","4","1","","Lin, Shu-Yu; Shen, Yi-Lin; Chen, Wei-Hao; Govindaraj, Manivannan; Chen, Jhy-Der","Cu(II) Coordination Polymers Containing Mixed Ligands with Different Flexibilities: Structural Diversity and Iodine Adsorption.","Molecules (Basel, Switzerland)","2024","29","2","311","","10.3390/molecules29020311","","","0.71073","MoKα","","0.1364","0.0571","","","0.1019","0.1244","","","","","","1.002","","","","has coordinates,has disorder","289669","2024-02-05","05:09:39",""
"1570916","13.644","0.012","25.64","0.02","29.54","0.03","90","","90","","90","","10334","16","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C56 H51 Cl2 N8 O4.5 -","- C56 H51 Cl2 N8 O4.5 -","- C448 H408 Cl16 N64 O36 -","8","1","","Li, Yong; He, Liujun; Qin, Hongxia; Liu, Yao; Yang, Binxin; Xu, Zhigang; Yang, Donglin","A Facile Ugi/Ullmann Cascade Reaction to Access Fused Indazolo-Quinoxaline Derivatives with Potent Anticancer Activity.","Molecules (Basel, Switzerland)","2024","29","2","464","","10.3390/molecules29020464","","","0.71073","MoKα","","0.1786","0.0572","","","0.1171","0.1455","","","","","","0.85","","","","has coordinates","289670","2024-02-05","05:10:10",""
"1570917","20.3737","0.0006","12.9319","0.0003","20.6857","0.0006","90","","106.129","0.001","90","","5235.6","0.2","296","2","296","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C45.5 H25 Al Eu F18 N3 O12 -","- C46.5 H25 Al Eu F18 N3 O12 -","- C186 H100 Al4 Eu4 F72 N12 O48 -","4","1","","Gallo, Elisa; Bellucci, Luca; Carlotto, Silvia; Bottaro, Gregorio; Babetto, Luca; Giordano, Luca; Marchetti, Fabio; Samaritani, Simona; Armelao, Lidia; Labella, Luca","Aluminium 8-Hydroxyquinolinate <i>N</i>-Oxide as a Precursor to Heterometallic Aluminium-Lanthanide Complexes.","Molecules (Basel, Switzerland)","2024","29","2","451","","10.3390/molecules29020451","","","0.71073","MoKα","","0.0791","0.0512","","","0.129","0.145","","","","","","1.054","","","","has coordinates,has disorder","289671","2024-02-05","05:10:30",""
"1570918","8.2312","0.0019","16.306","0.003","12.099","0.003","90","","90","","90","","1623.9","0.6","100","1","100","1","","","","","","","","3","P n a 21","P 2c -2n","33","Bat-intermediate-down","","","- C19 H18 O8 -","- C19 H18 O8 -","- C76 H72 O32 -","4","1","","Kamma, Koteswara Rao; Cho, Joungmo; Won, Hyo Jun; Nam, So-Yeon; Le, Ngan Hong; Jung, Je Hyeong; Lee, Kee-In","Synthetic Studies toward 5,6,7,3',4'-Monomethoxytetrahydroxyflavones: Synthesis of Pedalitin.","Molecules (Basel, Switzerland)","2024","29","2","513","","10.3390/molecules29020513","","","0.71073","MoKa","","0.0552","0.0492","","","0.1038","0.1065","","","","","","1.087","","","","has coordinates","289672","2024-02-05","05:10:49",""
"1570919","8.9444","0.0001","10.971","0.0002","13.8699","0.0002","108.253","0.002","93.627","0.001","112.862","0.002","1164.11","0.04","298","","298","","","","","","","","","3","P -1","-P 1","2","","Ac-B","","- C24 H20 O11 -","- C24 H20 O11 -","- C48 H40 O22 -","2","1","","Kamma, Koteswara Rao; Cho, Joungmo; Won, Hyo Jun; Nam, So-Yeon; Le, Ngan Hong; Jung, Je Hyeong; Lee, Kee-In","Synthetic Studies toward 5,6,7,3',4'-Monomethoxytetrahydroxyflavones: Synthesis of Pedalitin.","Molecules (Basel, Switzerland)","2024","29","2","513","","10.3390/molecules29020513","","x-ray","1.54184","CuKα","","0.063","0.0543","","","0.1661","0.1754","","","","","","1.076","","","","has coordinates,has disorder","289673","2024-02-05","05:11:07",""
"1570920","17.9683","0.0009","7.3231","0.0004","17.3899","0.0008","90","","91.123","0.002","90","","2287.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 Cl2 N3 Pt S -","- C8 H11 Cl2 N3 Pt S -","- C64 H88 Cl16 N24 Pt8 S8 -","8","2","","Fernandez-Delgado, Elena Estirado, Samuel Rodriguez, Ana B. Vinuelas-Zahinos, Emilio Luna-Giles, Francisco Espino, Javier Pariente, Jose A.","Synthesis, characterization, crystal structures and cytotoxic activity of Pt(II) complexes with N,N-donor ligands in tumor cell lines","Polyhedron","2024","248","","116756","","10.1016/j.poly.2023.116756","","","0.71073","MoKα","","0.0793","0.0597","","","0.14","0.15","","","","","","1.054","","","","has coordinates","289699","2024-02-05","16:22:40",""
"1570921","7.4526","0.0003","17.5917","0.0007","18.3383","0.0008","90","","90","","90","","2404.22","0.17","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H13 Cl2 N3 Pt S -","- C9 H13 Cl2 N3 Pt S -","- C72 H104 Cl16 N24 Pt8 S8 -","8","1","","Fernandez-Delgado, Elena Estirado, Samuel Rodriguez, Ana B. Vinuelas-Zahinos, Emilio Luna-Giles, Francisco Espino, Javier Pariente, Jose A.","Synthesis, characterization, crystal structures and cytotoxic activity of Pt(II) complexes with N,N-donor ligands in tumor cell lines","Polyhedron","2024","248","","116756","","10.1016/j.poly.2023.116756","","","0.71073","MoKα","","0.052","0.029","","","0.0499","0.0555","","","","","","1.027","","","","has coordinates","289700","2024-02-05","16:24:34",""
"1570928","16.359","0.003","6.5479","0.0011","9.5918","0.0017","90","","90","","90","","1027.4","0.3","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H12 Br3 Cu2 N -","- C4 H12 Br3 Cu2 N -","- C16 H48 Br12 Cu8 N4 -","4","0.5","","Hassan, Nahid; Nagaraja, Suneetha; Saha, Sauvik; Tarafder, Kartick; Ballav, Nirmalya","Excitonic cuprophilic interactions in one-dimensional hybrid organic-inorganic crystals.","Chemical science","2024","15","11","4075","4085","10.1039/d3sc06255d","","","0.71073","MoKα","","0.0258","0.0241","","","0.0944","0.0971","","","","","","0.86","","","","has coordinates","290853","2024-04-04","22:50:25",""
"1570929","16.535","0.002","7.0771","0.0009","9.6517","0.0011","90","","90","","90","","1129.4","0.2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H12 Ag2 Br3 N -","- C4 H12 Ag2 Br3 N -","- C16 H48 Ag8 Br12 N4 -","4","0.5","","Hassan, Nahid; Nagaraja, Suneetha; Saha, Sauvik; Tarafder, Kartick; Ballav, Nirmalya","Excitonic cuprophilic interactions in one-dimensional hybrid organic-inorganic crystals.","Chemical science","2024","15","11","4075","4085","10.1039/d3sc06255d","","","0.71073","MoKα","","0.0252","0.0222","","","0.048","0.0489","","","","","","1.217","","","","has coordinates,has disorder","290853","2024-04-04","22:50:25",""
"1570930","13.6717","0.0012","16.5727","0.0014","19.6345","0.0017","85.336","0.002","85.8","0.002","78.852","0.002","4342.8","0.6","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H30 B N O3 -","- C23 H30 B N O3 -","- C184 H240 B8 N8 O24 -","8","4","","Geng, Hui-Qing; Zhao, Yan-Hua; Yang, Peng; Wu, Xiao-Feng","Copper-catalyzed carbonylative multi-component borylamidation of alkenes for synthesizing γ-boryl amides with CO as both methylene and carbonyl sources.","Chemical science","2024","15","11","3996","4004","10.1039/d4sc00156g","","","0.71073","MoKα","","0.0746","0.0561","","","0.1413","0.1572","","","","","","1.025","","","","has coordinates,has disorder","290861","2024-04-04","22:53:12",""
"1570931","12.5971","0.0005","16.0044","0.0008","16.598","0.0008","87.861","0.002","89.132","0.001","85.016","0.002","3331.1","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C67.5 H57.75 Cd2 N8.75 O14.25 S4 -","- C67.5 H54.75 Cd2 N8.75 O14.25 S4 -","- C135 H109.5 Cd4 N17.5 O28.5 S8 -","2","1","","Wang, Lei; Qiao, Si-Bo; Chen, Yan-Ting; Ma, Xun; Wei, Wei-Ming; Zhang, Jun; Du, Lin; Zhao, Qi-Hua","[2 + 2] cycloaddition and its photomechanical effects on 1D coordination polymers with reversible amide bonds and coordination site regulation.","Chemical science","2024","15","11","3971","3979","10.1039/d3sc06098e","","","0.71073","MoKα","","0.0712","0.0459","","","0.1055","0.1195","","","","","","1.041","","","","has coordinates,has disorder","290850","2024-04-04","22:49:42",""
"1570932","10.253","0.0004","10.3656","0.0005","12.3264","0.0006","93.007","0.002","101.743","0.002","118.813","0.002","1106.38","0.09","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C H Cd0.07 I0 N O S -","- C3 H3.14286 Cd0.142857 N0.285714 O1.28571 S0.142857 -","- C42 H44 Cd2 N4 O18 S2 -","14","7","","Wang, Lei; Qiao, Si-Bo; Chen, Yan-Ting; Ma, Xun; Wei, Wei-Ming; Zhang, Jun; Du, Lin; Zhao, Qi-Hua","[2 + 2] cycloaddition and its photomechanical effects on 1D coordination polymers with reversible amide bonds and coordination site regulation.","Chemical science","2024","15","11","3971","3979","10.1039/d3sc06098e","","","0.71073","MoKα","","0.0254","0.0224","","","0.0566","0.058","","","","","","1.054","","","","has coordinates","290850","2024-04-04","22:49:42",""
"1570933","10.5185","0.0018","10.725","0.0018","14.858","0.003","93.035","0.005","95.697","0.006","106.48","0.005","1593.6","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H27.5 Cd N2 O8.25 S2 -","- C33 H28.5 Cd N4 O8.25 S2 -","- C66 H57 Cd2 N8 O16.5 S4 -","2","1","","Wang, Lei; Qiao, Si-Bo; Chen, Yan-Ting; Ma, Xun; Wei, Wei-Ming; Zhang, Jun; Du, Lin; Zhao, Qi-Hua","[2 + 2] cycloaddition and its photomechanical effects on 1D coordination polymers with reversible amide bonds and coordination site regulation.","Chemical science","2024","15","11","3971","3979","10.1039/d3sc06098e","","","0.71073","MoKα","","0.0667","0.0476","","","0.1022","0.1156","","","","","","1.102","","","","has coordinates,has disorder","290850","2024-04-04","22:49:42",""
"1570934","5.8281","0.0011","11.54","0.002","15.611","0.002","90","","90","","90","","1049.9","0.3","113.15","","113.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 B F2 N O2 -","- C10 H12 B F2 N O2 -","- C40 H48 B4 F8 N4 O8 -","4","1","","Ikeshita, Masahiro; Ichinose, Miku; Tsuno, Takashi","Luminescent solvent-free liquids based on Schiff-base boron difluoride complexes with polyethylene glycol chains.","Soft matter","2024","20","9","2178","2184","10.1039/d3sm01590d","","x-ray","0.71073","MoKα","","0.1052","0.0655","","","0.118","0.1304","","","","","","0.98","","","","has coordinates","290287","2024-03-04","20:47:19",""
"1570935","9.7046","0.0008","15.3874","0.0009","9.7174","0.0007","90","","113.886","0.008","90","","1326.8","0.18","113.15","","113.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 B F2 N O2 -","- C14 H14 B F2 N O2 -","- C56 H56 B4 F8 N4 O8 -","4","1","","Ikeshita, Masahiro; Ichinose, Miku; Tsuno, Takashi","Luminescent solvent-free liquids based on Schiff-base boron difluoride complexes with polyethylene glycol chains.","Soft matter","2024","20","9","2178","2184","10.1039/d3sm01590d","","x-ray","0.71073","MoKα","","0.0526","0.0396","","","0.1063","0.1142","","","","","","1.084","","","","has coordinates","290287","2024-03-04","20:47:19",""
"1570936","12.7885","0.0011","12.1016","0.0011","8.5117","0.0009","90","","105.467","0.01","90","","1269.6","0.2","113.15","","113.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C14 H14 B F2 N O2 -","- C14 H14 B F2 N O2 -","- C56 H56 B4 F8 N4 O8 -","4","1","","Ikeshita, Masahiro; Ichinose, Miku; Tsuno, Takashi","Luminescent solvent-free liquids based on Schiff-base boron difluoride complexes with polyethylene glycol chains.","Soft matter","2024","20","9","2178","2184","10.1039/d3sm01590d","","x-ray","0.71073","MoKα","","0.0446","0.0386","","","0.0971","0.1013","","","","","","1.018","","","","has coordinates","290287","2024-03-04","20:47:19",""
"1570937","24.5191","0.0014","6.0356","0.0003","17.3921","0.0009","90","","94.286","0.005","90","","2566.6","0.2","113.15","","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 B F2 N O2 -","- C14 H14 B F2 N O2 -","- C112 H112 B8 F16 N8 O16 -","8","2","","Ikeshita, Masahiro; Ichinose, Miku; Tsuno, Takashi","Luminescent solvent-free liquids based on Schiff-base boron difluoride complexes with polyethylene glycol chains.","Soft matter","2024","20","9","2178","2184","10.1039/d3sm01590d","","x-ray","0.71073","MoKα","","0.0818","0.0514","","","0.1197","0.1324","","","","","","1.015","","","","has coordinates","290287","2024-03-04","20:47:19",""
"1570938","30.834","0.0015","7.832","0.0002","22.5177","0.0011","90","","132.054","0.008","90","","4037.7","0.6","261","2","261","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H17 Cl N3 O2 -","- C26 H18 Cl N3 O2 -","- C208 H144 Cl8 N24 O16 -","8","1","","An, Bohang; Cui, Hao; Zheng, Chao; Chen, Ji-Lin; Lan, Feng; You, Shu-Li; Zhang, Xiao","Tunable C-H functionalization and dearomatization enabled by an organic photocatalyst.","Chemical science","2024","15","11","4114","4120","10.1039/d4sc00120f","","","1.54184","CuKα","","0.0965","0.0873","","","0.2537","0.2661","","","","","","1.075","","","","has coordinates,has disorder","290852","2024-04-04","22:50:17",""
"1570939","16.36721","0.00018","9.18575","0.00009","19.5534","0.00019","90","","91.7495","0.0009","90","","2938.39","0.05","236","2","236","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H27 N3 -","- C42 H27 N3 -","- C168 H108 N12 -","4","1","","An, Bohang; Cui, Hao; Zheng, Chao; Chen, Ji-Lin; Lan, Feng; You, Shu-Li; Zhang, Xiao","Tunable C-H functionalization and dearomatization enabled by an organic photocatalyst.","Chemical science","2024","15","11","4114","4120","10.1039/d4sc00120f","","","1.54184","CuKα","","0.0453","0.0411","","","0.1138","0.1179","","","","","","1.054","","","","has coordinates","290852","2024-04-04","22:50:17",""
"1570940","12.4937","0.0002","24.0509","0.0004","10.0306","0.0002","90","","104.017","0.002","90","","2924.3","0.09","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H39 N3 -","- C36 H39 N3 -","- C144 H156 N12 -","4","1","","An, Bohang; Cui, Hao; Zheng, Chao; Chen, Ji-Lin; Lan, Feng; You, Shu-Li; Zhang, Xiao","Tunable C-H functionalization and dearomatization enabled by an organic photocatalyst.","Chemical science","2024","15","11","4114","4120","10.1039/d4sc00120f","","","1.54184","CuKα","","0.0869","0.0741","","","0.2095","0.2211","","","","","","1.059","","","","has coordinates,has disorder","290852","2024-04-04","22:50:17",""
"1570941","6.0112","0.0001","15.7452","0.0002","19.7395","0.0002","83.775","0.001","82.422","0.001","80.271","0.001","1818.23","0.04","301","2","301","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 N O4 -","- C20 H17 N O4 -","- C80 H68 N4 O16 -","4","2","","An, Bohang; Cui, Hao; Zheng, Chao; Chen, Ji-Lin; Lan, Feng; You, Shu-Li; Zhang, Xiao","Tunable C-H functionalization and dearomatization enabled by an organic photocatalyst.","Chemical science","2024","15","11","4114","4120","10.1039/d4sc00120f","","","1.54184","CuKα","","0.0582","0.0516","","","0.153","0.1617","","","","","","0.973","","","","has coordinates","290852","2024-04-04","22:50:17",""
"1570942","27.5274","0.0003","9.9406","0.0001","27.6836","0.0003","90","","90","","90","","7575.31","0.14","278","2","278","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H23 N O4 -","- C22 H23 N O4 -","- C352 H368 N16 O64 -","16","4","","An, Bohang; Cui, Hao; Zheng, Chao; Chen, Ji-Lin; Lan, Feng; You, Shu-Li; Zhang, Xiao","Tunable C-H functionalization and dearomatization enabled by an organic photocatalyst.","Chemical science","2024","15","11","4114","4120","10.1039/d4sc00120f","","","1.54184","CuKα","","0.0361","0.0336","","","0.089","0.0911","","","","","","1.016","","","","has coordinates","290852","2024-04-04","22:50:17",""
"1570943","19.803","0.004","19.885","0.004","32.507","0.007","86.42","0.03","73.32","0.03","62.2","0.03","10808","5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C6.43 H6.89 Ag0.39 Au0.39 Cl0.26 P0.07 Rh0.03 S0.59 -","- C6.39344 H6.81967 Ag0.466852 Au0.320033 Cl0.196721 P0.0655738 Rh0.0327869 S0.590164 -","- C390 H416 Ag28.478 Au19.522 Cl12 P4 Rh2 S36 -","61","30.5","","Han, Sang Myeong; Song, Suhwan; Yi, Hanseok; Sim, Eunji; Lee, Dongil","Synthesis of RhH-doped Au-Ag alloy nanoclusters and dopant evolution.","Nanoscale","2024","16","9","4851","4857","10.1039/d3nr05654f","","","0.8","synchrotron","","0.1146","0.0916","","","0.2592","0.2792","","","","","","1.068","","","","has coordinates,has disorder","291007","2024-04-04","23:56:48",""
"1570944","15.099","0.0018","15.0514","0.0017","15.4881","0.0016","90","","96.33","0.002","90","","3498.4","0.7","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H36 Cl2 O2 -","- C48 H36 Cl2 O2 -","- C192 H144 Cl8 O8 -","4","1","","Yang, Hui; Chen, Guofeng; Zhang, Ran; Zhu, Yanjie; Xiao, Jinchong","Coumarin-embedded [5]helicene derivatives: synthesis, X-ray analysis and photoconducting properties.","Nanoscale","2024","16","10","5395","5400","10.1039/d3nr05887e","","","0.71073","MoKα","","0.1848","0.0898","","","0.1937","0.229","","","","","","1.065","","","","has coordinates","291004","2024-04-04","23:55:56",""
"1570945","18.0865","0.0018","18.3505","0.0019","19.254","0.002","100.696","0.003","102.593","0.003","93.475","0.002","6094.1","1.1","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C38.5 H25.5 O2 -","- C38.5 H25.5 O2 -","- C308 H204 O16 -","8","4","","Yang, Hui; Chen, Guofeng; Zhang, Ran; Zhu, Yanjie; Xiao, Jinchong","Coumarin-embedded [5]helicene derivatives: synthesis, X-ray analysis and photoconducting properties.","Nanoscale","2024","16","10","5395","5400","10.1039/d3nr05887e","","","0.71073","MoKα","","0.2163","0.1126","","","0.2629","0.3034","","","","","","1.088","","","","has coordinates,has disorder","291004","2024-04-04","23:55:56",""
"1570946","13.2667","0.0011","13.8534","0.0012","22.0429","0.0019","90","","93.349","0.002","90","","4044.3","0.6","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H46 N6 O12 Zn -","- C40 H46 N6 O12 Zn -","- C160 H184 N24 O48 Zn4 -","4","0.5","","Khattak, Zafar A. K.; Ahmad, Nazir; Younus, Hussein A.; Ullah, Habib; Yu, Baoyi; Munawar, Khurram S.; Ashfaq, Muhammad; Yaseen, Muhammad; Danish, Muhammad; Al-Abri, Mohammed; AlHajri, Rashid; Verpoort, Francis","Ambient conversion of CO2 and epoxides to cyclic carbonates using 3D amide-functionalized MOFs","Catalysis Science & Technology","2024","14","7","1888","1901","10.1039/D3CY01709E","","","0.71073","MoKα","","0.0487","0.0382","","","0.1027","0.1092","","","","","","1.049","","","","has coordinates","290794","2024-04-04","22:21:04",""
"1570947","8.5352","0.0002","14.7848","0.0004","20.0361","0.0006","90","","101.894","0.001","90","","2474.1","0.12","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 B6 Os2 -","- C20 H36 B6 Os2 -","- C80 H144 B24 Os8 -","4","1","","Kar, Ketaki; Kar, Sourav; Ghosh, Sundargopal","Rule breaker boron clusters: a new class of hypoelectronic osmaborane clusters [(Cp*Os)<sub>2</sub>B<sub><i>n</i></sub>H<sub><i>n</i></sub>] (<i>n</i> = 6-10).","Chemical science","2024","15","11","4179","4186","10.1039/d3sc06464f","","","0.71073","MoKα","","0.0409","0.0304","","","0.0588","0.0665","","","","","","1.101","","","","has coordinates","290849","2024-04-04","22:49:32",""
"1570948","8.891","0.008","15.195","0.011","19.952","0.018","90","","100.42","0.03","90","","2651","4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H40 B10 Os2 -","- C20 H40 B10 Os2 -","- C80 H160 B40 Os8 -","4","1","","Kar, Ketaki; Kar, Sourav; Ghosh, Sundargopal","Rule breaker boron clusters: a new class of hypoelectronic osmaborane clusters [(Cp*Os)<sub>2</sub>B<sub><i>n</i></sub>H<sub><i>n</i></sub>] (<i>n</i> = 6-10).","Chemical science","2024","15","11","4179","4186","10.1039/d3sc06464f","","","0.71073","MoKα","","0.1191","0.091","","","0.2329","0.2685","","","","","","1.122","","","","has coordinates","290849","2024-04-04","22:49:32",""
"1570949","9.172","0.003","15.337","0.005","19.588","0.006","90","","103.464","0.01","90","","2679.7","1.5","297","2","297","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H38 B8 Os2 -","- C20 H38 B8 Os2 -","- C80 H152 B32 Os8 -","4","1","","Kar, Ketaki; Kar, Sourav; Ghosh, Sundargopal","Rule breaker boron clusters: a new class of hypoelectronic osmaborane clusters [(Cp*Os)<sub>2</sub>B<sub><i>n</i></sub>H<sub><i>n</i></sub>] (<i>n</i> = 6-10).","Chemical science","2024","15","11","4179","4186","10.1039/d3sc06464f","","","0.71073","MoKα","","0.0381","0.0343","","","0.074","0.0771","","","","","","1.114","","","","has coordinates,has disorder","290849","2024-04-04","22:49:32",""
"1570950","23.6454","0.0008","23.6454","0.0008","8.8984","0.0003","90","","90","","90","","4975.1","0.3","296","2","296","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C20 H37 B7 Os2 -","- C20 H37 B7 Os2 -","- C160 H296 B56 Os16 -","8","1","","Kar, Ketaki; Kar, Sourav; Ghosh, Sundargopal","Rule breaker boron clusters: a new class of hypoelectronic osmaborane clusters [(Cp*Os)<sub>2</sub>B<sub><i>n</i></sub>H<sub><i>n</i></sub>] (<i>n</i> = 6-10).","Chemical science","2024","15","11","4179","4186","10.1039/d3sc06464f","","","0.71073","MoKα","","0.0289","0.0218","","","0.0376","0.0407","","","","","","1.071","","","","has coordinates","290849","2024-04-04","22:49:32",""
"1570951","8.9252","0.001","14.6904","0.0016","20.153","0.002","90","","99.649","0.005","90","","2605","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H39 B9 Os2 -","- C20 H39 B9 Os2 -","- C80 H156 B36 Os8 -","4","1","","Kar, Ketaki; Kar, Sourav; Ghosh, Sundargopal","Rule breaker boron clusters: a new class of hypoelectronic osmaborane clusters [(Cp*Os)<sub>2</sub>B<sub><i>n</i></sub>H<sub><i>n</i></sub>] (<i>n</i> = 6-10).","Chemical science","2024","15","11","4179","4186","10.1039/d3sc06464f","","","0.71073","MoKα","","0.0612","0.0489","","","0.1139","0.1278","","","","","","1.133","","","","has coordinates","290849","2024-04-04","22:49:32",""
"1570952","21.6551","0.0008","21.6551","0.0008","21.6551","0.0008","90","","90","","90","","10155","0.6","100","","100","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Eu-NH2-BDC-100K","","- C96 Eu12 N12 O64 -","- C96 Eu12 N12 O64 -","- C192 Eu24 N24 O128 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.058","0.0425","","","0.109","0.1182","","","","","","1.026","","","","has coordinates","290836","2024-04-04","22:43:45",""
"1570953","21.7226","0.0009","21.7226","0.0009","21.7226","0.0009","90","","90","","90","","10250.3","0.7","200","","200","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","3","","- C96 Eu12 N12 O64 -","- C96 Eu12 N12 O64 -","- C192 Eu24 N24 O128 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.0719","0.0513","","","0.1324","0.1442","","","","","","1.02","","","","has coordinates","290836","2024-04-04","22:43:46",""
"1570954","21.7212","0.0008","21.7212","0.0008","21.7212","0.0008","90","","90","","90","","10248.3","0.7","150","","150","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Eu-NH2-BDC-150K","","- C96 Eu12 N12 O64 -","- C96 Eu12 N12 O64 -","- C192 Eu24 N24 O128 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.0639","0.049","","","0.1274","0.135","","","","","","1.048","","","","has coordinates","290836","2024-04-04","22:43:46",""
"1570955","21.6449","0.0008","21.6449","0.0008","21.6449","0.0008","90","","90","","90","","10140.7","0.6","250","","250","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","4","","- C96 Eu12 N12 O64 -","- C96 Eu12 N12 O64 -","- C192 Eu24 N24 O128 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.0575","0.0437","","","0.1168","0.1218","","","","","","1.037","","","","has coordinates","290836","2024-04-04","22:43:46",""
"1570956","21.6439","0.0012","21.6439","0.0012","21.6439","0.0012","90","","90","","90","","10139.3","1","200","","200","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C96 Eu12 O76 -","- C96 Eu12 O76 -","- C192 Eu24 O152 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.1197","0.0875","","","0.2215","0.2384","","","","","","1.08","","","","has coordinates","290836","2024-04-04","22:43:46",""
"1570957","21.68","0.0012","21.68","0.0012","21.68","0.0012","90","","90","","90","","10190.1","1","100","","100","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C96 Eu12 O76 -","- C96 Eu12 O76 -","- C192 Eu24 O152 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.1211","0.0922","","","0.2167","0.2331","","","","","","1.037","","","","has coordinates","290836","2024-04-04","22:43:46",""
"1570958","21.5913","0.0007","21.5913","0.0007","21.5913","0.0007","90","","90","","90","","10065.5","0.6","300","","300","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Eu-NH2-BDC-300K","","- C96 Eu12 N12 O64 -","- C96 Eu12 N12 O64 -","- C192 Eu24 N24 O128 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.0629","0.0482","","","0.1306","0.1389","","","","","","1.063","","","","has coordinates","290836","2024-04-04","22:43:46",""
"1570959","21.6136","0.0013","21.6136","0.0013","21.6136","0.0013","90","","90","","90","","10096.7","1.1","250","","250","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C96 Eu12 O76 -","- C96 Eu12 O76 -","- C192 Eu24 O152 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.1115","0.0786","","","0.1897","0.2022","","","","","","1.071","","","","has coordinates","290836","2024-04-04","22:43:46",""
"1570960","21.6408","0.0006","21.6408","0.0006","21.6408","0.0006","90","","90","","90","","10134.9","0.5","100","","100","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Eu-NDC-100K","","- C132 Eu12 O64 -","- C132 Eu12 O64 -","- C264 Eu24 O128 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.055","0.0464","","","0.1184","0.122","","","","","","1.084","","","","has coordinates","290836","2024-04-04","22:43:46",""
"1570961","21.7434","0.0016","21.7434","0.0016","21.7434","0.0016","90","","90","","90","","10279.7","1.3","150","","150","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C96 Eu12 O76 -","- C96 Eu12 O76 -","- C192 Eu24 O152 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.1193","0.0913","","","0.2112","0.2249","","","","","","1.105","","","","has coordinates","290836","2024-04-04","22:43:46",""
"1570962","21.6478","0.0005","21.6478","0.0005","21.6478","0.0005","90","","90","","90","","10144.7","0.4","250","","250","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Eu-NDC-250K","","- C132 Eu12 O64 -","- C132 Eu12 O64 -","- C264 Eu24 O128 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.0503","0.0437","","","0.1177","0.1205","","","","","","1.133","","","","has coordinates","290836","2024-04-04","22:43:46",""
"1570963","21.59","0.0006","21.59","0.0006","21.59","0.0006","90","","90","","90","","10063.7","0.5","300","","300","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Eu-NDC-300K","","- C132 Eu12 O64 -","- C132 Eu12 O64 -","- C264 Eu24 O128 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.0592","0.0476","","","0.1227","0.1286","","","","","","1.074","","","","has coordinates","290836","2024-04-04","22:43:46",""
"1570964","21.556","0.002","21.556","0.002","21.556","0.002","90","","90","","90","","10016.2","1.6","300","","300","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C96 Eu12 O76 -","- C96 Eu12 O76 -","- C192 Eu24 O152 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.0939","0.067","","","0.1634","0.1753","","","","","","1.013","","","","has coordinates","290836","2024-04-04","22:43:46",""
"1570965","21.6554","0.0006","21.6554","0.0006","21.6554","0.0006","90","","90","","90","","10155.4","0.5","200","","200","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Eu-NDC-200K","","- C132 Eu12 O64 -","- C132 Eu12 O64 -","- C264 Eu24 O128 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.0504","0.0426","","","0.1083","0.1116","","","","","","1.106","","","","has coordinates","290836","2024-04-04","22:43:46",""
"1570966","21.6573","0.0006","21.6573","0.0006","21.6573","0.0006","90","","90","","90","","10158.1","0.5","150","","150","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Eu-NDC-150K","","- C132 Eu12 O64 -","- C132 Eu12 O64 -","- C264 Eu24 O128 -","2","0.0104167","","Chen, Liang; Cao, Yili; Ma, Rui; Cao, Hongmei; Chen, Xin; Lin, Kun; Li, Qiang; Deng, Jinxia; Liu, Chunyu; Wang, Yilin; Huang, Ling; Xing, Xianran","Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.","Chemical science","2024","15","10","3721","3729","10.1039/d3sc06710f","","x-ray","0.71073","MoKα","","0.0511","0.0438","","","0.1165","0.1189","","","","","","1.176","","","","has coordinates","290836","2024-04-04","22:43:46",""
"1570967","9.7878","0.0001","26.2103","0.0003","12.6443","0.0001","90","","97.202","0.001","90","","3218.19","0.06","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Aquabis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(isonicotinamide-κN)ruthenium(II) bistriflate","Aquabis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(isonicotinamide-κ<i>N</i>)ruthenium(II) bis(trifluoromethanesulfonate)","","- C28 H24 F6 N6 O8 Ru S2 -","- C28 H24 F6 N6 O8 Ru S2 -","- C112 H96 F24 N24 O32 Ru4 S8 -","4","1","BT4147","Faubert, Liam; Arman, Hadi D.; Adrian, Rafael A.","Aquabis(2,2′-bipyridine-κ2 N,N′)(isonicotinamide-κN)ruthenium(II) bis(trifluoromethanesulfonate)","IUCrData","2024","9","2","","","10.1107/S2414314624001147","","x-ray","1.54184","CuKα","","0.0729","0.0712","","","0.1574","0.1585","","","","","","1.056","","","","has coordinates,has disorder","289771","2024-02-09","03:23:02",""
"1570968","14.434","0.0003","13.9644","0.0002","14.2126","0.0002","90","","102.536","0.0016","90","","2796.43","0.08","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')(4,4'-dimethoxy-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')palladium(II) bis(trifluoromethanesulfonate)","","- C24 H20 F6 N4 O8 Pd S2 -","- C24 H20 F6 N4 O8 Pd S2 -","- C96 H80 F24 N16 O32 Pd4 S8 -","4","1","WM4206","Vargas, Brittney B.; Arman, Hadi D.; Adrian, Rafael A.","(2,2′-Bipyridine-κ2 N,N′)(4,4′-dimethoxy-2,2′-bipyridine-κ2 N,N′)palladium(II) bis(trifluoromethanesulfonate)","IUCrData","2024","9","2","","","10.1107/S2414314624001093","","x-ray","1.54184","CuKα","","0.0413","0.0376","","","0.0966","0.0999","","","","","","1.042","","","","has coordinates","289772","2024-02-09","03:23:18",""
"1570969","8.0198","0.0003","9.4799","0.0004","13.7043","0.0006","103.446","0.002","97.519","0.002","102.443","0.002","971.41","0.07","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H19 N O2 -","- C27 H19 N O2 -","- C54 H38 N2 O4 -","2","1","","Qian, Chenxiao; Huang, Jing; Huang, Tingting; Song, Lijuan; Sun, Jianwei; Li, Pengfei","Organocatalytic enantioselective synthesis of C<sub>sp<sub>2</sub></sub>-N atropisomers <i>via</i> formal C<sub>sp<sub>2</sub></sub>-O bond amination.","Chemical science","2024","15","11","3893","3900","10.1039/d3sc06707f","","x-ray","0.71073","MoKα","","0.0786","0.0514","","","0.1162","0.1274","","","","","","1.038","","","","has coordinates","290856","2024-04-04","22:50:53",""
"1570970","28.218","0.002","10.8756","0.0007","17.0557","0.0012","90","","124.15","0.002","90","","4331.7","0.5","100","0.2","100","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H22 N O2.5 -","- C28.5 H22 N O2.5 -","- C228 H176 N8 O20 -","8","1","","Qian, Chenxiao; Huang, Jing; Huang, Tingting; Song, Lijuan; Sun, Jianwei; Li, Pengfei","Organocatalytic enantioselective synthesis of C<sub>sp<sub>2</sub></sub>-N atropisomers <i>via</i> formal C<sub>sp<sub>2</sub></sub>-O bond amination.","Chemical science","2024","15","11","3893","3900","10.1039/d3sc06707f","","x-ray","0.71073","MoKα","","0.0861","0.0489","","","0.1048","0.1219","","","","","","1.025","","","","has coordinates","290856","2024-04-04","22:50:53",""
"1570971","7.8226","0.0005","9.87","0.0006","13.4677","0.0008","72.435","0.002","82.536","0.002","83.621","0.002","980.1","0.1","100","0.2","100","0.2","","","","","","","","4","P 1","P 1","1","","","","- C27 H19 N O2 -","- C27 H19 N O2 -","- C54 H38 N2 O4 -","2","2","","Qian, Chenxiao; Huang, Jing; Huang, Tingting; Song, Lijuan; Sun, Jianwei; Li, Pengfei","Organocatalytic enantioselective synthesis of C<sub>sp<sub>2</sub></sub>-N atropisomers <i>via</i> formal C<sub>sp<sub>2</sub></sub>-O bond amination.","Chemical science","2024","15","11","3893","3900","10.1039/d3sc06707f","","x-ray","1.54178","CuKα","","0.0317","0.0301","","","0.0783","0.0797","","","","","","1.031","","","","has coordinates","290856","2024-04-04","22:50:53",""
"1570972","5.0119","0.0004","10.5046","0.0008","14.7245","0.0013","101.744","0.005","99.652","0.005","96.654","0.004","739.15","0.11","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H42 N4 O4 S2 -","- C28 H42 N4 O4 S2 -","- C28 H42 N4 O4 S2 -","1","0.5","","Li, Kunrong; Zhang, Hezhe; Chang, Cheng; Lin, Kaiwen; Zhang, Bo; Ma, Zaifei; Wei, Dacheng; Zhang, Qing","A hydrogen bonded azine as a building block for π-conjugated polymers and their semiconducting properties","Polymer Chemistry","2024","15","10","991","998","10.1039/D3PY01346D","","","","","","0.17","","","","","","","","","","","","","","","has coordinates","291069","2024-04-05","00:18:03",""
"1570973","26.1891","0.0017","7.1383","0.0004","14.0543","0.0011","90","","120.864","0.004","90","","2255.3","0.3","210","","210","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H5 Mn0.5 N4 O5 Pb -","- C9 H5 Mn0.5 N4 O5 Pb -","- C72 H40 Mn4 N32 O40 Pb8 -","8","1","","Wang, Xiyu; Yang, Guo-Ping; Wang, Yao-Yu","Catalytic comparison of cyanosilylation/Knoevenagel condensation reactions by Pb-based heterometallic organic frameworks with different second metal ions","Catalysis Science & Technology","2024","14","6","1613","1621","10.1039/D3CY01549A","","","0.71073","MoKα","","0.0226","0.0213","","","0.0563","0.0571","","","","","","1.142","","","","has coordinates","290793","2024-04-04","22:20:54",""
"1570974","26.201","0.006","7.1538","0.0017","14.084","0.004","90","","120.846","0.008","90","","2266.4","1","256","","256","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","PbZn","","- C9 H5 N4 O5 Pb Zn0.5 -","- C9 H5 N4 O5 Pb Zn0.5 -","- C72 H40 N32 O40 Pb8 Zn4 -","8","1","","Wang, Xiyu; Yang, Guo-Ping; Wang, Yao-Yu","Catalytic comparison of cyanosilylation/Knoevenagel condensation reactions by Pb-based heterometallic organic frameworks with different second metal ions","Catalysis Science & Technology","2024","14","6","1613","1621","10.1039/D3CY01549A","","","0.71073","MoKα","","0.026","0.0236","","","0.0548","0.0561","","","","","","1.11","","","","has coordinates","290793","2024-04-04","22:20:55",""
"1570975","26.2822","0.0012","7.2428","0.0002","14.042","0.0006","90","","120.511","0.001","90","","2302.86","0.16","210","","210","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","PbCd","","- C9 H5 Cd0.5 N4 O5 Pb -","- C9 H5 Cd0.5 N4 O5 Pb -","- C72 H40 Cd4 N32 O40 Pb8 -","8","1","","Wang, Xiyu; Yang, Guo-Ping; Wang, Yao-Yu","Catalytic comparison of cyanosilylation/Knoevenagel condensation reactions by Pb-based heterometallic organic frameworks with different second metal ions","Catalysis Science & Technology","2024","14","6","1613","1621","10.1039/D3CY01549A","","","0.71073","MoKα","","0.0284","0.0267","","","0.0703","0.0719","","","","","","1.091","","","","has coordinates,has disorder","290793","2024-04-04","22:20:55",""
"1570976","12.826","0.0008","13.0023","0.0008","18.312","0.001","83.087","0.002","75.811","0.002","69.828","0.002","2776.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H83 Cl Ga N4 O Si -","- C58 H83 Cl Ga N4 O Si -","- C116 H166 Cl2 Ga2 N8 O2 Si2 -","2","1","","Kapp, Leon; Wölper, Christoph; Siera, Hannah; Haberhauer, Gebhard; Schulz, Stephan","Catalytic hydroboration of aldehydes and ketones with an electron-rich acyclic metallasilylene.","Chemical science","2024","15","11","4161","4170","10.1039/d3sc06842k","","","1.54178","CuKα","","0.0425","0.0393","","","0.1064","0.1094","","","","","","1.054","","","","has coordinates,has disorder","290859","2024-04-04","22:52:00",""
"1570977","12.6656","0.0007","13.0233","0.0007","18.9626","0.0011","101.433","0.003","102.306","0.003","111.151","0.002","2717.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H88 Cl Ga N4 O Si -","- C55 H88 Cl Ga N4 O Si -","- C110 H176 Cl2 Ga2 N8 O2 Si2 -","2","1","","Kapp, Leon; Wölper, Christoph; Siera, Hannah; Haberhauer, Gebhard; Schulz, Stephan","Catalytic hydroboration of aldehydes and ketones with an electron-rich acyclic metallasilylene.","Chemical science","2024","15","11","4161","4170","10.1039/d3sc06842k","","","0.71073","MoKα","","0.0481","0.0329","","","0.0803","0.088","","","","","","1.043","","","","has coordinates,has disorder","290859","2024-04-04","22:52:01",""
"1570978","15.4196","0.001","7.0728","0.0005","44.912","0.002","90","","93.069","0.005","90","","4891.1","0.5","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C31 H23 Br N2 O -","- C31 H23 Br N2 O -","- C248 H184 Br8 N16 O8 -","8","1","","Zhong, Weiren; Zhang, Jianyu; Lin, Yuting; Li, Shouji; Yang, Yalan; Wang, Wen-Jin; Si, Chuanling; Kühn, Fritz E; Zhao, Zheng; Cai, Xu-Min; Tang, Ben Zhong","Multi-site isomerization of synergistically regulated stimuli-responsive AIE materials toward multi-level decryption.","Chemical science","2024","15","11","3920","3927","10.1039/d3sc06191d","","x-ray","1.54184","CuKα","","0.1187","0.078","","","0.1931","0.2582","","","","","","1.065","","","","has coordinates","290854","2024-04-04","22:50:34",""
"1570979","19.02","0.03","13.3","0.018","9.799","0.014","90","","100.93","0.03","90","","2434","6","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 Br N2 O -","- C31 H23 Br N2 O -","- C124 H92 Br4 N8 O4 -","4","1","","Zhong, Weiren; Zhang, Jianyu; Lin, Yuting; Li, Shouji; Yang, Yalan; Wang, Wen-Jin; Si, Chuanling; Kühn, Fritz E; Zhao, Zheng; Cai, Xu-Min; Tang, Ben Zhong","Multi-site isomerization of synergistically regulated stimuli-responsive AIE materials toward multi-level decryption.","Chemical science","2024","15","11","3920","3927","10.1039/d3sc06191d","","","0.71073","MoKα","","0.2126","0.0952","","","0.1768","0.2291","","","","","","1.065","","","","has coordinates","290854","2024-04-04","22:50:35",""
"1570980","37.877","0.004","19.7175","0.0019","16.623","0.002","90","","102.157","0.011","90","","12136","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C130 H68 B2 F48 N10 Pt4 -","- C130 H68 B2 F48 N10 Pt4 -","- C520 H272 B8 F192 N40 Pt16 -","4","0.5","","Khistiaeva, Viktoria V.; Buss, Stefan; Eskelinen, Toni; Hirva, Pipsa; Kinnunen, Niko; Friedel, Joshua; Kletsch, Lukas; Klein, Axel; Strassert, Cristian A.; Koshevoy, Igor O.","Cyanido-bridged diplatinum(ii) complexes: ligand and solvent effect on aggregation and luminescence.","Chemical science","2024","15","11","4005","4018","10.1039/d3sc06941a","","","0.71073","MoKα","","0.0897","0.0719","","","0.1455","0.1514","","","","","","1.284","","","","has coordinates,has disorder","290851","2024-04-04","22:50:02",""
"1570981","37.583","0.004","19.55","0.002","16.6042","0.0019","90","","103.385","0.002","90","","11869","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C61 H32 B F24 N7 Pt2 -","- C61 H32 B F24 N7 Pt2 -","- C488 H256 B8 F192 N56 Pt16 -","8","1","","Khistiaeva, Viktoria V.; Buss, Stefan; Eskelinen, Toni; Hirva, Pipsa; Kinnunen, Niko; Friedel, Joshua; Kletsch, Lukas; Klein, Axel; Strassert, Cristian A.; Koshevoy, Igor O.","Cyanido-bridged diplatinum(ii) complexes: ligand and solvent effect on aggregation and luminescence.","Chemical science","2024","15","11","4005","4018","10.1039/d3sc06941a","","","0.71073","MoKα","","0.115","0.0817","","","0.187","0.2085","","","","","","1.045","","","","has coordinates,has disorder","290851","2024-04-04","22:50:03",""
"1570982","10.8326","0.0005","18.8796","0.0009","20.8423","0.0011","63.426","0.002","78.863","0.002","73.683","0.002","3647.4","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H44 B Cl2 F24 N9 Pt2 -","- C74 H44 B Cl2 F24 N9 Pt2 -","- C148 H88 B2 Cl4 F48 N18 Pt4 -","2","1","","Khistiaeva, Viktoria V.; Buss, Stefan; Eskelinen, Toni; Hirva, Pipsa; Kinnunen, Niko; Friedel, Joshua; Kletsch, Lukas; Klein, Axel; Strassert, Cristian A.; Koshevoy, Igor O.","Cyanido-bridged diplatinum(ii) complexes: ligand and solvent effect on aggregation and luminescence.","Chemical science","2024","15","11","4005","4018","10.1039/d3sc06941a","","","0.71073","MoKα","","0.0393","0.026","","","0.0605","0.0662","","","","","","1.007","","","","has coordinates,has disorder","290851","2024-04-04","22:50:03",""
"1570983","19.0654","0.0006","21.3165","0.0007","22.1528","0.0008","61.908","0.001","86.495","0.001","65.219","0.001","7106","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C150 H112 B2 F48 N14 Pt4 -","- C150 H112 B2 F48 N14 Pt4 -","- C300 H224 B4 F96 N28 Pt8 -","2","1","","Khistiaeva, Viktoria V.; Buss, Stefan; Eskelinen, Toni; Hirva, Pipsa; Kinnunen, Niko; Friedel, Joshua; Kletsch, Lukas; Klein, Axel; Strassert, Cristian A.; Koshevoy, Igor O.","Cyanido-bridged diplatinum(ii) complexes: ligand and solvent effect on aggregation and luminescence.","Chemical science","2024","15","11","4005","4018","10.1039/d3sc06941a","","","0.71073","MoKα","","0.0429","0.029","","","0.0638","0.0713","","","","","","1.027","","","","has coordinates,has disorder","290851","2024-04-04","22:50:03",""
"1570984","10.1125","0.0001","18.592","0.0002","36.962","0.0005","90","","89.735","0.001","90","","6949.21","0.14","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C67 H83 Co K O8 P3 S2 -","- C67 H83 Co K O8 P3 S2 -","- C268 H332 Co4 K4 O32 P12 S8 -","4","1","","Intrator, Jeremy A.; Velazquez, David A.; Fan, Sicheng; Mastrobattista, Ellie; Yu, Christine; Marinescu, Smaranda C.","Electrocatalytic CO<sub>2</sub> reduction to formate by a cobalt phosphino-thiolate complex.","Chemical science","2024","15","17","6385","6396","10.1039/d3sc06805f","","x-ray","1.54184","CuKα","","0.0722","0.0618","","","0.1843","0.1954","","","","","","0.867","","","","has coordinates,has disorder","291555","2024-05-05","01:30:05",""
"1570985","15.378","0.0004","9.8097","0.0002","20.2954","0.0005","90","","109.076","0.0018","90","","2893.51","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H66 Cl2 Mn2 N6 O8 -","- C64 H66 Cl2 Mn2 N6 O8 -","- C128 H132 Cl4 Mn4 N12 O16 -","2","0.5","","Cook, Emma N.; Courter, Ian M.; Dickie, Diane A.; Machan, Charles W.","Controlling product selectivity during dioxygen reduction with Mn complexes using pendent proton donor relays and added base.","Chemical science","2024","15","12","4478","4488","10.1039/d3sc02611f","","","1.54178","CuKα","","0.0695","0.0505","","","0.1255","0.1376","","","","","","1.027","","","","has coordinates,has disorder","290870","2024-04-04","22:58:26",""
"1570986","8.2349","0.0002","17.2894","0.0006","8.9716","0.0003","90","","97.378","0.001","90","","1266.77","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H20 F6 N P -","- C8 H20 F6 N P -","- C32 H80 F24 N4 P4 -","4","1","","Cook, Emma N.; Courter, Ian M.; Dickie, Diane A.; Machan, Charles W.","Controlling product selectivity during dioxygen reduction with Mn complexes using pendent proton donor relays and added base.","Chemical science","2024","15","12","4478","4488","10.1039/d3sc02611f","","","0.71073","MoKα","","0.0499","0.0401","","","0.0985","0.1041","","","","","","1.059","","","","has coordinates,has disorder","290870","2024-04-04","22:58:26",""
"1570987","12.5965","0.0001","14.8766","0.0001","19.5176","0.0001","90","","98.321","0.001","90","","3618.96","0.04","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","erbium(III)bis(tris-pyrazolylborato)(3,5-di-tert-butylsemiquinonato)","","- C32 H40 B2 Er N12 O2 -","- C32 H40 B2 Er N12 O2 -","- C128 H160 B8 Er4 N48 O8 -","4","1","","Dunstan, Maja A.; Giansiracusa, Marcus J.; Calvello, Simone; Sorace, Lorenzo; Krause-Heuer, Anwen M; Soncini, Alessandro; Mole, Richard A.; Boskovic, Colette","<i>Ab initio</i>-based determination of lanthanoid-radical exchange as visualised by inelastic neutron scattering.","Chemical science","2024","15","12","4466","4477","10.1039/d3sc04229d","","x-ray","1.54184","CuKα","","0.027","0.0262","","","0.0683","0.0689","","","","","","1.069","","","","has coordinates","290871","2024-04-04","22:58:37",""
"1570988","9.3365","0.0001","9.3365","0.0001","31.9312","0.0007","90","","90","","90","","2783.45","0.07","100","0.3","100","0.3","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","yttrium(III)bis(tris-pyrazolylborato)(tropolonato)","","- C25 H25 B2 N12 O2 Y -","- C25 H25 B2 N12 O2 Y -","- C100 H100 B8 N48 O8 Y4 -","4","0.5","","Dunstan, Maja A.; Giansiracusa, Marcus J.; Calvello, Simone; Sorace, Lorenzo; Krause-Heuer, Anwen M; Soncini, Alessandro; Mole, Richard A.; Boskovic, Colette","<i>Ab initio</i>-based determination of lanthanoid-radical exchange as visualised by inelastic neutron scattering.","Chemical science","2024","15","12","4466","4477","10.1039/d3sc04229d","","x-ray","1.54184","CuKα","","0.0324","0.0301","","","0.0737","0.0747","","","","","","1.066","","","","has coordinates","290871","2024-04-04","22:58:37",""
"1570989","9.3261","0.0001","9.3261","0.0001","31.8683","0.0005","90","","90","","90","","2771.78","0.06","100","0.1","100","0.1","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","erbium(III)bis(tris-pyrazolylborato)(tropolonato)","","- C25 H25 B2 Er N12 O2 -","- C25 H25 B2 Er N12 O2 -","- C100 H100 B8 Er4 N48 O8 -","4","0.5","","Dunstan, Maja A.; Giansiracusa, Marcus J.; Calvello, Simone; Sorace, Lorenzo; Krause-Heuer, Anwen M; Soncini, Alessandro; Mole, Richard A.; Boskovic, Colette","<i>Ab initio</i>-based determination of lanthanoid-radical exchange as visualised by inelastic neutron scattering.","Chemical science","2024","15","12","4466","4477","10.1039/d3sc04229d","","x-ray","1.54184","CuKα","","0.0289","0.0277","","","0.0694","0.0702","","","","","","1.071","","","","has coordinates","290871","2024-04-04","22:58:37",""
"1570990","9.3339","0.0001","9.3339","0.0001","31.9618","0.0006","90","","90","","90","","2784.57","0.07","100","0.1","100","0.1","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","erbium(III)@yttrium(III)bis(tris-pyrazolylborato)(tropolonato)","","- C25 H25 B2 Er0.04 N12 O2 Y0.96 -","- C25 H25 B2 Er0.041 N12 O2 Y0.959 -","- C100 H100 B8 Er0.164 N48 O8 Y3.836 -","4","0.5","","Dunstan, Maja A.; Giansiracusa, Marcus J.; Calvello, Simone; Sorace, Lorenzo; Krause-Heuer, Anwen M; Soncini, Alessandro; Mole, Richard A.; Boskovic, Colette","<i>Ab initio</i>-based determination of lanthanoid-radical exchange as visualised by inelastic neutron scattering.","Chemical science","2024","15","12","4466","4477","10.1039/d3sc04229d","","x-ray","1.54184","CuKα","","0.0271","0.0258","","","0.0666","0.0672","","","","","","1.078","","","","has coordinates,has disorder","290871","2024-04-04","22:58:37",""
"1570991","26.5624","0.0009","26.5624","0.0009","14.7302","0.0007","90","","90","","90","","10393.1","0.7","100","2","100","","","","","","","","","6","I -4","I -4","82","","","","- C208 H216 B4 Fe4 N28 O12 -","- C208 H216 B4 Fe4 N28 O12 -","- C416 H432 B8 Fe8 N56 O24 -","2","0.25","","Santra, Aakash; Das, Avijit; Kaur, Simarjeet; Jain, Priya; Ingole, Pravin P.; Paria, Sayantan","Catalytic reduction of oxygen to water by non-heme iron complexes: exploring the effect of the secondary coordination sphere proton exchanging site.","Chemical science","2024","15","11","4095","4105","10.1039/d3sc06753j","","","0.71073","MoKα","","0.0316","0.0299","","","0.0763","0.0773","","","","","","1.039","","","","has coordinates","290860","2024-04-04","22:53:03",""
"1570992","8.1243","0.0003","13.335","0.0004","17.7851","0.0005","102.08","0.001","90.3","0.001","96.561","0.001","1870.95","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C3.33 H3.89 Cl0.22 Fe0.11 N O1.11 -","- C3.33333 H3.88889 Cl0.222222 Fe0.111111 N O1.11111 -","- C60 H70 Cl4 Fe2 N18 O20 -","18","9","","Santra, Aakash; Das, Avijit; Kaur, Simarjeet; Jain, Priya; Ingole, Pravin P.; Paria, Sayantan","Catalytic reduction of oxygen to water by non-heme iron complexes: exploring the effect of the secondary coordination sphere proton exchanging site.","Chemical science","2024","15","11","4095","4105","10.1039/d3sc06753j","","","0.71073","MoKα","","0.0604","0.059","","","0.1568","0.1581","","","","","","1.05","","","","has coordinates","290860","2024-04-04","22:53:04",""
"1570993","18.5453","0.0011","15.6403","0.0008","21.1386","0.0011","90","","109.232","0.002","90","","5789.2","0.5","116","2","116","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4.327869 H4.327869 B0.131148 Fe0.065574 N0.52459 O0.196721 -","- C4.06557 H3.67213 B0.131148 Fe0.0655738 N0.52459 O0.131148 -","- C248 H224 B8 Fe4 N32 O8 -","61","15.25","","Santra, Aakash; Das, Avijit; Kaur, Simarjeet; Jain, Priya; Ingole, Pravin P.; Paria, Sayantan","Catalytic reduction of oxygen to water by non-heme iron complexes: exploring the effect of the secondary coordination sphere proton exchanging site.","Chemical science","2024","15","11","4095","4105","10.1039/d3sc06753j","","","0.71073","MoKα","","0.0734","0.0524","","","0.1271","0.1419","","","","","","1.0575","","","","has coordinates","290860","2024-04-04","22:53:04",""
"1570994","9.6506","0.0003","13.0241","0.0004","13.9603","0.0004","86.216","0.002","86.692","0.002","77.039","0.002","1704.58","0.09","173","0.1","173","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C28 H23 Br2 F4 Mn N4 O7 S -","- C28 H23 Br2 F4 Mn N4 O7 S -","- C56 H46 Br4 F8 Mn2 N8 O14 S2 -","2","1","","Scaccaglia, Mirco; Birbaumer, Michael P.; Pinelli, Silvana; Pelosi, Giorgio; Frei, Angelo","Discovery of antibacterial manganese(i) tricarbonyl complexes through combinatorial chemistry.","Chemical science","2024","15","11","3907","3919","10.1039/d3sc05326a","","x-ray","0.71073","MoKα","","0.0583","0.0472","","","0.1324","0.139","","","","","","1.0344","","","","has coordinates","290858","2024-04-04","22:51:50",""
"1570995","20.9009","0.0007","15.2585","0.0003","13.0302","0.0004","90","","123.873","0.005","90","","3450.2","0.3","200","0.1","200","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C33 H30 F3 Mn N4 O10 S -","- C33 H30 F3 Mn N4 O10 S -","- C132 H120 F12 Mn4 N16 O40 S4 -","4","1","","Scaccaglia, Mirco; Birbaumer, Michael P.; Pinelli, Silvana; Pelosi, Giorgio; Frei, Angelo","Discovery of antibacterial manganese(i) tricarbonyl complexes through combinatorial chemistry.","Chemical science","2024","15","11","3907","3919","10.1039/d3sc05326a","","x-ray","1.54184","CuKα","","0.0305","0.029","","","0.0692","0.0703","","","","","","1.005","","","","has coordinates","290858","2024-04-04","22:51:51",""
"1570996","19.4782","0.0009","20.4781","0.0008","16.3369","0.0007","90","","90.749","0.002","90","","6515.8","0.5","200","","200","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H31 F3 Mn N5 O6.25 S -","- C29 H31 F3 Mn N5 O6.25 S -","- C232 H248 F24 Mn8 N40 O50 S8 -","8","1","","Scaccaglia, Mirco; Birbaumer, Michael P.; Pinelli, Silvana; Pelosi, Giorgio; Frei, Angelo","Discovery of antibacterial manganese(i) tricarbonyl complexes through combinatorial chemistry.","Chemical science","2024","15","11","3907","3919","10.1039/d3sc05326a","","","0.71073","MoKα","","0.0484","0.0424","","","0.113","0.118","","","","","","1.033","","","","has coordinates","290858","2024-04-04","22:51:51",""
"1570997","27.8745","0.0009","83.475","0.003","7.5368","0.0002","90","","90","","90","","17536.8","1","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","","1-Ethyl-3,3-dimethylspiro[indoline-2,8'-phenaleno[1,9-<i>fg</i>]chromene]","","- C30 H25 N O -","- C30 H25 N O -","- C960 H800 N32 O32 -","32","2","HB4461","Zhu., Xiaoming; Jiang, Zhen; Liu, Zhiqiang","1-Ethyl-3,3-dimethylspiro[indoline-2,8′-phenaleno[1,9-fg]chromene]","IUCrData","2024","9","2","","","10.1107/S2414314624001378","","","1.54178","CuKα","","0.0382","0.0319","","","0.0836","0.0875","","","","","","1.047","","","","has coordinates","289816","2024-02-14","03:14:24",""
"1570998","9.30794","0.00007","9.15665","0.00007","9.15459","0.00009","88.9517","0.0007","102.148","0.0007","93.1108","0.0007","761.626","0.011","293","","293","","","","","","","","","7","P -1","-P 1","2","","","?Structure?","- C4 H7 Al3 F N2 O12 P3 -","- C4 H7 Al3 F N2 O12 P3 -","- C8 H14 Al6 F2 N4 O24 P6 -","2","1","","Dawson, Daniel M.; Clayton, Jasmine A.; Marshall, Thomas H. D.; Guillou, Nathalie; Walton, Richard I.; Ashbrook, Sharon E.","Site-directed cation ordering in chabazite-type Al<sub><i>x</i></sub>Ga<sub>1-<i>x</i></sub>PO<sub>4</sub>-34 frameworks revealed by NMR crystallography.","Chemical science","2024","15","12","4374","4385","10.1039/d3sc06924a","powder diffraction","","0.826855","X-raysynchrotron","","","","","","","","","0.046","5.66","","","","","","","has coordinates","290868","2024-04-04","22:57:58",""
"1570999","31.026","0.004","6.7327","0.0004","19.7204","0.0019","90","","124.143","0.007","90","","3409.4","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(E)-1-(2,6-di(pyrrolidin-1-yl)phenyl)-N-(1-methyl-1H-pyrazol-4-yl)methanimine","","- C19 H25 N5 -","- C19 H25 N5 -","- C152 H200 N40 -","8","1","","Wu, Jiarong; Kreimendahl, Lasse; Tao, Suyuan; Anhalt, Olga; Greenfield, Jake L.","Photoswitchable imines: aryliminopyrazoles quantitatively convert to long-lived <i>Z</i>-isomers with visible light.","Chemical science","2024","15","11","3872","3878","10.1039/d3sc05841g","","","1.54178","CuKα","","0.0487","0.0421","","","0.1045","0.11","","","","","","1.047","","","","has coordinates,has disorder","290855","2024-04-04","22:50:42",""
"1571000","15.1269","0.0003","10.50172","0.00017","16.1559","0.0003","90","","101.425","0.0019","90","","2515.65","0.08","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 Fe N9 O4 Pt -","- C23 H23 Fe N9 O4 Pt -","- C92 H92 Fe4 N36 O16 Pt4 -","4","1","","Shi, Huayun; Ponte, Fortuna; Grewal, Jaspreet S.; Clarkson, Guy J.; Imberti, Cinzia; Hands-Portman, Ian; Dallmann, Robert; Sicilia, Emilia; Sadler, Peter J.","Tuning the photoactivated anticancer activity of Pt(iv) compounds <i>via</i> distant ferrocene conjugation.","Chemical science","2024","15","11","4121","4134","10.1039/d3sc03092j","","x-ray","0.71073","MoKα","","0.032","0.0251","","","0.0461","0.0487","","","","","","1.047","","","","has coordinates","290857","2024-04-04","22:51:01",""
"1571001","23.719","0.003","5.8937","0.0007","26.041","0.003","90","","117.009","0.003","90","","3243.3","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H33 N3 O3 -","- C42 H33 N3 O3 -","- C168 H132 N12 O12 -","4","1","","Paul, Priya; Saha, Subhajit; Biradha, Kumar","Differentiating aliphatic and aromatic alcohols using triazine-based supramolecular organogelators: end group-specific selective gelation with chain length of alcohols.","Soft matter","2024","20","11","2568","2574","10.1039/d4sm00017j","","","0.71073","MoKα","","0.1244","0.056","","","0.1226","0.1525","","","","","","1.013","","","","has coordinates","291072","2024-04-05","00:19:02",""
"1571002","5.9131","0.0005","7.8478","0.0006","16.8158","0.0015","90","","90.007","0.006","90","","780.33","0.11","293","","293","","","","","","","","'from Grosses Chalttal, Glarus, Switzerland'","5","P 1 21/n 1","-P 2yn","14","","","","- As Cu2 H7 O9 Pb -","- As Cu2 H7 O9 Pb -","- As4 Cu8 H28 O36 Pb4 -","4","1","","Malcherek, Thomas; Mihailova, Boriana; Schlüter, Jochen; Roth, Philippe; Meisser, Nicolas","Heimite, PbCu2(AsO4)(OH)3 ⋅ 2H2O, a new mineral from the Grosses Chalttal deposit, Switzerland","European Journal of Mineralogy","2024","36","1","153","164","10.5194/ejm-36-153-2024","","x-ray","0.71069","MoKα","","0.0359","0.0275","","","0.0736","0.0784","","","","1.16","1.16","1.11","","","","has coordinates","289828","2024-02-15","13:37:16",""
"1571003","11.04","0.002","14.175","0.003","21.29","0.005","106.479","0.004","93.058","0.004","106.77","0.004","3025.6","1.1","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H94.96 Fe2 N6 Na2 O3 Si3 -","- C54 H94.962 Fe2 N6 Na2 O3 Si3 -","- C108 H189.924 Fe4 N12 Na4 O6 Si6 -","2","1","","Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.","Chemical science","2024","15","21","8242","8248","10.1039/d3sc03606e","","","0.71073","MoKα","","0.0617","0.0396","","","0.0847","0.0926","","","","","","1.015","","","","has coordinates,has disorder","292936","2024-07-05","15:10:39",""
"1571004","10.6298","0.0008","11.1655","0.0009","23.6682","0.0018","98.248","0.002","101.941","0.002","101.506","0.002","2642.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H78 Fe2 N7 Si3 Zn -","- C50 H78 Fe2 N7 Si3 Zn -","- C100 H156 Fe4 N14 Si6 Zn2 -","2","1","","Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.","Chemical science","2024","15","21","8242","8248","10.1039/d3sc03606e","","","0.40651","synchrotron","","0.0512","0.0441","","","0.1067","0.1106","","","","","","1.094","","","","has coordinates","292936","2024-07-05","15:10:41",""
"1571005","15.1571","0.0007","21.489","0.0011","16.3741","0.0008","90","","93.577","0.001","90","","5322.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H69 F6 Fe3 N7 Si3 -","- C50 H69 F6 Fe3 N7 Si3 -","- C200 H276 F24 Fe12 N28 Si12 -","4","1","","Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.","Chemical science","2024","15","21","8242","8248","10.1039/d3sc03606e","","","0.71073","MoKα","","0.1085","0.0664","","","0.1648","0.1941","","","","","","1.019","","","","has coordinates,has disorder","292936","2024-07-05","15:10:41",""
"1571006","10.4451","0.0012","27.261","0.003","21.186","0.003","90","","102.166","0.004","90","","5897.1","1.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H88.5 Fe3 N7 O1.75 Si3 -","- C54 H88.5 Fe3 N7 O1.75 Si3 -","- C216 H354 Fe12 N28 O7 Si12 -","4","1","","Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.","Chemical science","2024","15","21","8242","8248","10.1039/d3sc03606e","","","0.41328","synchrotron","","0.0636","0.0421","","","0.0978","0.1073","","","","","","1.042","","","","has coordinates,has disorder","292936","2024-07-05","15:10:41",""
"1571007","12.4239","0.001","14.2358","0.0012","19.0442","0.0016","109.643","0.0017","95.5642","0.0018","102.049","0.0018","3050.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H76 Fe2 N8 Si3 Zn -","- C53 H76 Fe1.943 N8 Si3 Zn0.9702 -","- C106 H152 Fe3.886 N16 Si6 Zn1.9404 -","2","1","","Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.","Chemical science","2024","15","21","8242","8248","10.1039/d3sc03606e","","","0.40651","synchrotron","","0.0497","0.0368","","","0.0898","0.0967","","","","","","1.019","","","","has coordinates,has disorder","292936","2024-07-05","15:10:41",""
"1571008","12.3372","0.0006","14.5673","0.0007","19.6915","0.001","76.058","0.001","73.437","0.001","79.142","0.001","3264.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H74 F5.93 Fe2 N8 Si3 Zn -","- C55 H74 F6.006 Fe2 N8 Si3 Zn -","- C110 H148 F12.012 Fe4 N16 Si6 Zn2 -","2","1","","Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.","Chemical science","2024","15","21","8242","8248","10.1039/d3sc03606e","","","0.71073","MoKα","","0.0456","0.0325","","","0.0713","0.0764","","","","","","1.031","","","","has coordinates,has disorder","292936","2024-07-05","15:10:41",""
"1571009","27.053","0.004","19.227","0.003","27.643","0.004","90","","90","","90","","14378","4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C58 H102 Cl Fe2 N7 Si3 Zn -","- C58 H102 Cl Fe2.0001 N7 Si3 Zn0.9999 -","- C464 H816 Cl8 Fe16.0008 N56 Si24 Zn7.9992 -","8","1","","Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.","Chemical science","2024","15","21","8242","8248","10.1039/d3sc03606e","","","0.71073","MoKα","","0.0954","0.0563","","","0.1149","0.1307","","","","","","1.021","","","","has coordinates,has disorder","292936","2024-07-05","15:10:41",""
"1571010","11.9733","0.0005","26.257","0.0009","26.2043","0.001","90","","100.148","0.001","90","","8109.3","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C73.76 H108 Co F6 Fe3 N7 O Si3 -","- C73.734 H108 Co F6 Fe3 N7 O Si3 -","- C294.936 H432 Co4 F24 Fe12 N28 O4 Si12 -","4","1","","Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.","Chemical science","2024","15","21","8242","8248","10.1039/d3sc03606e","","","0.71073","MoKα","","0.151","0.0695","","","0.149","0.179","","","","","","1.023","","","","has coordinates,has disorder","292936","2024-07-05","15:10:41",""
"1571011","22.15","0.004","20.383","0.003","26.428","0.004","90","","101.975","0.003","90","","11672","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H71 Fe2 N7 Si3 Zn -","- C48 H71 Fe2.0001 N7 Si3 Zn0.9999 -","- C384 H568 Fe16.0008 N56 Si24 Zn7.9992 -","8","1","","Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.","Chemical science","2024","15","21","8242","8248","10.1039/d3sc03606e","","","0.71073","MoKα","","0.0958","0.0683","","","0.1359","0.1453","","","","","","1.126","","","","has coordinates,has disorder","292936","2024-07-05","15:10:41",""
"1571012","10.3835","0.0018","18.015","0.002","30.663","0.007","90","","91.703","0.006","90","","5733.2","1.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H88 Fe2 N6 O Si3 Zn -","- C52 H88 Fe2 N6 O Si3 Zn -","- C208 H352 Fe8 N24 O4 Si12 Zn4 -","4","1","","Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.","Chemical science","2024","15","21","8242","8248","10.1039/d3sc03606e","","","0.40659","synchrotron","","0.1148","0.0593","","","0.1276","0.148","","","","","","1.015","","","","has coordinates","292936","2024-07-05","15:10:41",""
"1571013","27.1744","0.0009","19.1482","0.0007","27.5979","0.001","90","","90","","90","","14360.3","0.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C58 H102 Cl N7 Si3 Zn3 -","- C58 H102 Cl N7 Si3 Zn3 -","- C464 H816 Cl8 N56 Si24 Zn24 -","8","1","","Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.","Chemical science","2024","15","21","8242","8248","10.1039/d3sc03606e","","","0.71073","MoKα","","0.0528","0.0332","","","0.0721","0.0791","","","","","","1.028","","","","has coordinates,has disorder","292936","2024-07-05","15:10:41",""
"1571014","26.839","0.003","19.358","0.002","27.601","0.004","90","","90","","90","","14340","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C57 H100 Cl Fe3 N7 Si3 -","- C57 H100 Cl Fe3 N7 Si3 -","- C456 H800 Cl8 Fe24 N56 Si24 -","8","1","","Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.","Chemical science","2024","15","21","8242","8248","10.1039/d3sc03606e","","","0.71073","MoKα","","0.0574","0.0426","","","0.1161","0.1258","","","","","","1.04","","","","has coordinates,has disorder","292936","2024-07-05","15:10:41",""
"1571015","15.4746","0.0007","23.8238","0.0011","27.1431","0.0013","78.401","0.001","74.315","0.001","83.137","0.001","9414.8","0.8","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C78.5 H131.25 F6 Fe2.1 K N9 O8.62 Si3 Zn0.9 -","- C78.5 H131.25 F6 Fe2.073 K N9 O8.625 Si3 Zn0.927 -","- C314 H525 F24 Fe8.292 K4 N36 O34.5 Si12 Zn3.708 -","4","2","","Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.","Chemical science","2024","15","21","8242","8248","10.1039/d3sc03606e","","","0.41328","synchrotron","","0.0838","0.0548","","","0.1373","0.1538","","","","","","1.026","","","","has coordinates,has disorder","292936","2024-07-05","15:10:41",""
"1571016","9.2895","0.0006","9.5681","0.0006","12.3723","0.0007","93.065","0.003","108.756","0.003","118.62","0.003","885.12","0.1","100","2","99.8","","","","","","","","","4","P 1","P 1","1","","","","- C20 H54 O2 Si8 -","- C20 H54 O2 Si8 -","- C20 H54 O2 Si8 -","1","1","","Glotz, Gabriel; Drusgala, Manfred; Hamm, Florian; Fischer, Roland C.; Došlić, Nađa; Kelterer, Anne-Marie; Gescheidt, Georg; Haas, Michael","Wavelength-dependent rearrangements of an α-dione chromophore: a chemical pearl in a bis(hypersilyl) oyster.","Chemical science","2024","15","12","4427","4433","10.1039/d4sc00064a","","","0.71073","MoKα","","0.0803","0.0592","","","0.1456","0.1631","","","","","","1.029","","","","has coordinates,has disorder","290862","2024-04-04","22:53:20",""
"1571017","9.377","0.005","9.613","0.007","11.879","0.007","70.53","0.02","71.722","0.015","61.483","0.015","871.5","1","100","2","99.68","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H27 O Si4 -","- C10 H27 O Si4 -","- C20 H54 O2 Si8 -","2","1","","Glotz, Gabriel; Drusgala, Manfred; Hamm, Florian; Fischer, Roland C.; Došlić, Nađa; Kelterer, Anne-Marie; Gescheidt, Georg; Haas, Michael","Wavelength-dependent rearrangements of an α-dione chromophore: a chemical pearl in a bis(hypersilyl) oyster.","Chemical science","2024","15","12","4427","4433","10.1039/d4sc00064a","","","0.71073","MoKα","","0.1075","0.0727","","","0.1988","0.2205","","","","","","1.052","","","","has coordinates","290862","2024-04-04","22:53:21",""
"1571018","12.18","0.002","20.741","0.003","16.353","0.003","90","","110.644","0.003","90","","3865.9","1.1","296.15","","296.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H40 Cl4 P2 Zn -","- C40 H40 Cl4 P2 Zn -","- C160 H160 Cl16 P8 Zn4 -","4","1","","Yu, Shuiyue; Peng, Hui; Wei, Qilin; Li, Tongzhou; Huang, Weiguo; He, Xuefei; Du, Zhentao; Zhao, Jialong; Zou, Bingsuo","Realizing efficient broadband near-infrared emission and multimode photoluminescence switching <i>via</i> coordination structure modulation in Sb<sup>3+</sup>-doped 0D organic metal chlorides.","Materials horizons","2024","11","9","2230","2241","10.1039/d3mh01962d","","","0.71073","MoKα","","0.0662","0.0426","","","0.078","0.0874","","","","","","0.966","","","","has coordinates","293299","2024-07-05","18:12:59",""
"1571019","12.2339","0.0014","21.044","0.002","16.5713","0.0019","90","","112.272","0.002","90","","3948","0.7","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H40 Cd Cl4 P2 -","- C40 H40 Cd Cl4 P2 -","- C160 H160 Cd4 Cl16 P8 -","4","1","","Yu, Shuiyue; Peng, Hui; Wei, Qilin; Li, Tongzhou; Huang, Weiguo; He, Xuefei; Du, Zhentao; Zhao, Jialong; Zou, Bingsuo","Realizing efficient broadband near-infrared emission and multimode photoluminescence switching <i>via</i> coordination structure modulation in Sb<sup>3+</sup>-doped 0D organic metal chlorides.","Materials horizons","2024","11","9","2230","2241","10.1039/d3mh01962d","","","0.71073","MoKα","","0.0377","0.0313","","","0.0741","0.0771","","","","","","1.059","","","","has coordinates","293299","2024-07-05","18:12:59",""
"1571020","11.5184","0.0006","14.6526","0.0007","16.148","0.0009","97.73","0.003","108.931","0.002","98.573","0.003","2500","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C94 H170 B6 O16 -","- C94 H170 B6 O16 -","- C94 H170 B6 O16 -","1","0.5","","Durin, Gabriel; Romero, R. Martin; Godou, Timothé; Chauvier, Clément; Thuéry, Pierre; Nicolas, Emmanuel; Cantat, Thibault","Formoxyboranes as hydroborane surrogates for the catalytic reduction of carbonyls through transfer hydroboration","Catalysis Science & Technology","2024","14","7","1848","1853","10.1039/D3CY01702H","","","0.71073","MoKα","","0.0833","0.0643","","","0.1854","0.2003","","","","","","1.066","","","","has coordinates","290795","2024-04-04","22:21:21",""
"1571021","10.767","0.0002","12.8036","0.0005","18.9389","0.0008","90","","90","","90","","2610.85","0.16","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H20 B N O2 -","- C14 H20 B N O2 -","- C112 H160 B8 N8 O16 -","8","1","","Durin, Gabriel; Romero, R. Martin; Godou, Timothé; Chauvier, Clément; Thuéry, Pierre; Nicolas, Emmanuel; Cantat, Thibault","Formoxyboranes as hydroborane surrogates for the catalytic reduction of carbonyls through transfer hydroboration","Catalysis Science & Technology","2024","14","7","1848","1853","10.1039/D3CY01702H","","","0.71073","MoKα","","0.0466","0.0392","","","0.0962","0.1011","","","","","","1.045","","","","has coordinates","290795","2024-04-04","22:21:22",""
"1571022","9.8725","0.0005","7.3758","0.0004","21.882","0.0012","90","","98.551","0.003","90","","1575.68","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H25 B N2 O2 -","- C16 H25 B N2 O2 -","- C64 H100 B4 N8 O8 -","4","1","","Durin, Gabriel; Romero, R. Martin; Godou, Timothé; Chauvier, Clément; Thuéry, Pierre; Nicolas, Emmanuel; Cantat, Thibault","Formoxyboranes as hydroborane surrogates for the catalytic reduction of carbonyls through transfer hydroboration","Catalysis Science & Technology","2024","14","7","1848","1853","10.1039/D3CY01702H","","","0.71073","MoKα","","0.0446","0.0367","","","0.0971","0.1012","","","","","","1.065","","","","has coordinates","290795","2024-04-04","22:21:22",""
"1571023","12.5923","0.0008","10.8437","0.0006","14.9151","0.0008","90","","90.37","0.005","90","","2036.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H33 B N2 O2 -","- C20 H33 B N2 O2 -","- C80 H132 B4 N8 O8 -","4","1","","Durin, Gabriel; Romero, R. Martin; Godou, Timothé; Chauvier, Clément; Thuéry, Pierre; Nicolas, Emmanuel; Cantat, Thibault","Formoxyboranes as hydroborane surrogates for the catalytic reduction of carbonyls through transfer hydroboration","Catalysis Science & Technology","2024","14","7","1848","1853","10.1039/D3CY01702H","","","0.71073","MoKα","","0.0708","0.0421","","","0.1013","0.1112","","","","","","0.989","","","","has coordinates","290795","2024-04-04","22:21:22",""
"1571024","10.1407","0.0004","28.0242","0.0011","12.2214","0.0005","90","","94.627","0.003","90","","3461.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 B N O2 -","- C18 H28 B N O2 -","- C144 H224 B8 N8 O16 -","8","2","","Durin, Gabriel; Romero, R. Martin; Godou, Timothé; Chauvier, Clément; Thuéry, Pierre; Nicolas, Emmanuel; Cantat, Thibault","Formoxyboranes as hydroborane surrogates for the catalytic reduction of carbonyls through transfer hydroboration","Catalysis Science & Technology","2024","14","7","1848","1853","10.1039/D3CY01702H","","","0.71073","MoKα","","0.0572","0.0396","","","0.0928","0.0993","","","","","","1.049","","","","has coordinates","290795","2024-04-04","22:21:22",""
"1571025","14.0041","0.0015","18.81","0.002","15.8824","0.0016","90","","112.93","0.004","90","","3853.1","0.7","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 B2 Mo N10 -","- C33 H33 B2 Mo N10 -","- C132 H132 B8 Mo4 N40 -","4","1","","Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E.","Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes.","Chemical science","2024","15","14","5152","5162","10.1039/d4sc00090k","","","1.54178","CuKα","","0.0374","0.0281","","","0.0784","0.0856","","","","","","1.05","","","","has coordinates,has disorder","291576","2024-05-05","01:52:55",""
"1571026","9.4559","0.0002","13.3234","0.0002","15.6012","0.0004","105.885","0.001","98.659","0.002","93.937","0.002","1856.39","0.07","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H45.01 B2 Li N9 O1.5 -","- C38 H44.996 B2 Li N9 O1.498 -","- C76 H89.992 B4 Li2 N18 O2.996 -","2","1","","Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E.","Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes.","Chemical science","2024","15","14","5152","5162","10.1039/d4sc00090k","","","1.54178","CuKα","","0.0763","0.0701","","","0.1867","0.1929","","","","","","1.047","","","","has coordinates,has disorder","291576","2024-05-05","01:53:02",""
"1571027","25.3294","0.0009","25.3294","0.0009","25.1795","0.0014","90","","90","","90","","16154.6","1.2","173.15","","173.15","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C173 H162 B8 Mo4 N38 -","- C173 H162 B8 Mo4 N38 -","- C692.002 H648 B32 Mo16 N152 -","4","0.25","","Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E.","Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes.","Chemical science","2024","15","14","5152","5162","10.1039/d4sc00090k","","","1.54178","CuKα","","0.0463","0.0347","","","0.085","0.0935","","","","","","1.084","","","","has coordinates,has disorder","291576","2024-05-05","01:53:03",""
"1571028","8.9517","0.0007","15.7349","0.0013","17.3073","0.0013","70.272","0.004","85.441","0.004","80.569","0.005","2262.9","0.3","173.15","","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C35 H33 B2 F6 Mo N10 O4 S2 -","- C35 H33 B2 F6 Mo N10 O4 S2 -","- C70 H66 B4 F12 Mo2 N20 O8 S4 -","2","1","","Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E.","Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes.","Chemical science","2024","15","14","5152","5162","10.1039/d4sc00090k","","","1.54178","CuKα","","0.0554","0.0493","","","0.1442","0.153","","","","","","1.104","","","","has coordinates,has disorder","291576","2024-05-05","01:53:03",""
"1571029","17.5414","0.0008","23.6171","0.001","20.4202","0.0009","90","","90.386","0.003","90","","8459.4","0.6","173","","173","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C81.5 H78 B4 F6 Mo2 N20 O4 S2 -","- C81.5 H78 B4 F6 Mo2 N20 O4 S2 -","- C326 H312 B16 F24 Mo8 N80 O16 S8 -","4","1","","Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E.","Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes.","Chemical science","2024","15","14","5152","5162","10.1039/d4sc00090k","","","1.54178","CuKα","","0.0992","0.0658","","","0.1663","0.1875","","","","","","1.147","","","","has coordinates,has disorder","291576","2024-05-05","01:53:03",""
"1571030","17.6807","0.0012","18.6634","0.0011","19.4278","0.0011","90.335","0.004","112.023","0.004","100.578","0.004","5822.4","0.6","173","2","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C214.12 H164.64 Al2 B8 F72 Mo4 N39.27 O8 -","- C214.164 H164.654 Al2 B8 F72 Mo4 N39.272 O8 -","- C214.164 H164.654 Al2 B8 F72 Mo4 N39.272 O8 -","1","0.5","","Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E.","Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes.","Chemical science","2024","15","14","5152","5162","10.1039/d4sc00090k","","","1.54178","CuKα","","0.1431","0.1009","","","0.2662","0.317","","","","","","1.063","","","","has coordinates,has disorder","291576","2024-05-05","01:53:03",""
"1571031","15.601","0.003","19.921","0.004","12.437","0.003","90","","110.709","0.003","90","","3615.5","1.3","173","2","173.15","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C35 H37 B2 Cl3.25 Mo N9 -","- C34.5 H37 B2 Cl3.25 Mo N9 -","- C138 H148 B8 Cl13 Mo4 N36 -","4","0.5","","Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E.","Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes.","Chemical science","2024","15","14","5152","5162","10.1039/d4sc00090k","","","0.71073","MoKα","","0.0607","0.0447","","","0.1095","0.1185","","","","","","1.063","","","","has coordinates,has disorder","291576","2024-05-05","01:53:03",""
"1571032","16.5897","0.0011","18.7404","0.0012","24.0681","0.0016","109.516","0.004","91.769","0.004","114.335","0.004","6301.2","0.8","173","2","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C109 H94 Al B4 F36 Mo2 N20 O4 -","- C109 H94 Al B4 F36 Mo2 N20 O4 -","- C218 H188 Al2 B8 F72 Mo4 N40 O8 -","2","1","","Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E.","Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes.","Chemical science","2024","15","14","5152","5162","10.1039/d4sc00090k","","","1.54178","CuKα","","0.1056","0.0761","","","0.2083","0.2359","","","","","","1.022","","","","has coordinates,has disorder","291576","2024-05-05","01:53:04",""
"1571033","16.1437","0.0006","23.4937","0.0008","20.896","0.0007","90","","94.907","0.002","90","","7896.3","0.5","173","2","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H12 Al F36 Fe O5 -","- C28 H12 Al F36 Fe O5 -","- C224 H96 Al8 F288 Fe8 O40 -","8","2","","Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E.","Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes.","Chemical science","2024","15","14","5152","5162","10.1039/d4sc00090k","","","1.54178","CuKα","","0.1112","0.0652","","","0.1611","0.1893","","","","","","1.042","","","","has coordinates,has disorder","291576","2024-05-05","01:53:04",""
"1571034","14.9038","0.0003","17.3373","0.0004","17.7556","0.0004","61.896","0.001","75.415","0.001","80.14","0.002","3909.1","0.15","173","2","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C68 H53 Al B2 F36 Mo N11 O4 -","- C68 H53 Al B2 F36 Mo N11 O4 -","- C136 H106 Al2 B4 F72 Mo2 N22 O8 -","2","1","","Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E.","Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes.","Chemical science","2024","15","14","5152","5162","10.1039/d4sc00090k","","","1.54178","CuKα","","0.0713","0.0676","","","0.189","0.1942","","","","","","1.029","","","","has coordinates,has disorder","291576","2024-05-05","01:53:04",""
"1571035","15.1157","0.0015","25.2386","0.0019","12.3932","0.001","90","","102.171","0.006","90","","4621.7","0.7","173.15","","173.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H36 B2 F6 Mo N11 O4 S2 -","- C35 H36 B2 F6 Mo N11 O4 S2 -","- C140 H144 B8 F24 Mo4 N44 O16 S8 -","4","1","","Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E.","Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes.","Chemical science","2024","15","14","5152","5162","10.1039/d4sc00090k","","","1.54178","CuKα","","0.0868","0.0569","","","0.1524","0.1914","","","","","","1.105","","","","has coordinates,has disorder","291576","2024-05-05","01:53:04",""
"1571036","15.9395","0.0009","18.5574","0.0008","18.9383","0.0009","116.155","0.002","90.495","0.002","98.658","0.002","4953.2","0.4","173.15","","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C84 H66 Al B4 F36 Mo2 N19 O4 -","- C84 H66 Al B4 F36 Mo2 N19 O4 -","- C168 H132 Al2 B8 F72 Mo4 N38 O8 -","2","1","","Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E.","Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes.","Chemical science","2024","15","14","5152","5162","10.1039/d4sc00090k","","","1.54178","CuKα","","0.0658","0.0554","","","0.1453","0.1559","","","","","","1.029","","","","has coordinates,has disorder","291576","2024-05-05","01:53:04",""
"1571037","14.8333","0.001","17.305","0.0012","33.81","0.003","99.265","0.005","99.28","0.005","100.583","0.005","8255.3","1.1","173.15","","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C271 H246 Al4 B8 F144 Mo4 N44 O16 -","- C271 H246 Al4 B8 F144 Mo4 N44 O16 -","- C271 H246 Al4 B8 F144 Mo4 N44 O16 -","1","0.5","","Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E.","Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes.","Chemical science","2024","15","14","5152","5162","10.1039/d4sc00090k","","","1.54178","CuKα","","0.159","0.1193","","","0.2886","0.3241","","","","","","1.061","","","","has coordinates,has disorder","291576","2024-05-05","01:53:04",""
"1571038","8.3549","0.0007","9.3366","0.0008","12.3971","0.0007","69.409","0.007","75.524","0.006","65.217","0.008","815.89","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis[μ-bis(pyridin-2-yl)methanone oxime-κ^3^<i>N</i>:<i>N</i>',<i>N</i>'']bis[diacetato-κ^2^<i>O</i>,<i>O</i>';κ<i>O</i>-zinc(II)]","","- C30 H30 N6 O10 Zn2 -","- C30 H30 N6 O10 Zn2 -","- C30 H30 N6 O10 Zn2 -","1","0.5","ZL4065","Crundwell, Guy; Crundwell, Nigel E.; Westcott, Barry L.","Bis[μ-bis(pyridin-2-yl)methanone oxime-κ3 N:,N′,N′′]bis[diacetato-κ2 O,O′;κO-zinc(II)]","IUCrData","2024","9","2","","","10.1107/S2414314624001226","","x-ray","0.71073","MoKα","","0.0552","0.039","","","0.0896","0.0979","","","","","","1.028","","","","has coordinates","289863","2024-02-17","03:17:14",""
"1571039","18.3338","0.0005","25.9671","0.0007","37.9645","0.0008","90","","90","","90","","18074","0.8","99.99","0.1","99.99","0.1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C122 H94 O24 -","- C122 H94 O24 -","- C488 H376 O96 -","4","0.5","","Xi, Xiao-Juan; Li, Yang; Lang, Feifan; Pang, Jiandong; Bu, Xian-He","Reticular synthesis of 8-connected carboxyl hydrogen-bonded organic frameworks for white-light-emission.","Chemical science","2024","15","12","4529","4537","10.1039/d3sc06410g","","x-ray","1.54184","CuKα","","0.1348","0.1155","","","0.3421","0.3628","","","","","","1.382","","","","has coordinates,has disorder","290867","2024-04-04","22:57:51",""
"1571040","18.3974","0.0003","26.3784","0.0003","37.7312","0.0004","90","","90","","90","","18310.7","0.4","99.98","0.1","99.98","0.1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C116 H82 O24 -","- C116 H82 O24 -","- C464 H328 O96 -","4","0.5","","Xi, Xiao-Juan; Li, Yang; Lang, Feifan; Pang, Jiandong; Bu, Xian-He","Reticular synthesis of 8-connected carboxyl hydrogen-bonded organic frameworks for white-light-emission.","Chemical science","2024","15","12","4529","4537","10.1039/d3sc06410g","","x-ray","1.54184","CuKα","","0.1221","0.1085","","","0.323","0.341","","","","","","1.361","","","","has coordinates,has disorder","290867","2024-04-04","22:57:51",""
"1571041","8.6659","0.0005","11.1071","0.0006","14.7913","0.0008","76.376","0.005","86.941","0.004","72.404","0.005","1318.66","0.13","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H54 N Si2 -","- C24 H54 N Si2 -","- C48 H108 N2 Si4 -","2","1","","Knüpfer, Christian; Klerner, Lukas; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","s-Block metal complexes of superbulky (<sup><i>t</i></sup>Bu<sub>3</sub>Si)<sub>2</sub>N<sup>-</sup>: a new weakly coordinating anion?","Chemical science","2024","15","12","4386","4395","10.1039/d3sc06896j","","x-ray","1.54184","CuKα","","0.036","0.0321","","","0.0858","0.0894","","","","","","1.048","","","","has coordinates,has disorder","290874","2024-04-04","23:00:38",""
"1571042","10.782","0.0002","15.4196","0.0003","23.653","0.0004","80.1846","0.0015","78.8889","0.0016","83.583","0.0015","3789.53","0.12","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C44 H94 K N O8 Si2 -","- C44 H94 K N O8 Si2 -","- C132 H282 K3 N3 O24 Si6 -","3","1.5","","Knüpfer, Christian; Klerner, Lukas; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","s-Block metal complexes of superbulky (<sup><i>t</i></sup>Bu<sub>3</sub>Si)<sub>2</sub>N<sup>-</sup>: a new weakly coordinating anion?","Chemical science","2024","15","12","4386","4395","10.1039/d3sc06896j","","x-ray","1.54184","CuKα","","0.0486","0.042","","","0.1123","0.12","","","","","","1.022","","","","has coordinates,has disorder","290874","2024-04-04","23:00:38",""
"1571043","11.47464","0.00007","11.47464","0.00007","21.21699","0.00017","90","","90","","90","","2793.59","0.03","100","0.6","100","0.6","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C24 H54 Cs N Si2 -","- C24 H54 Cs N Si2 -","- C96 H216 Cs4 N4 Si8 -","4","0.5","","Knüpfer, Christian; Klerner, Lukas; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","s-Block metal complexes of superbulky (<sup><i>t</i></sup>Bu<sub>3</sub>Si)<sub>2</sub>N<sup>-</sup>: a new weakly coordinating anion?","Chemical science","2024","15","12","4386","4395","10.1039/d3sc06896j","","x-ray","1.54184","CuKα","","0.0179","0.0176","","","0.0449","0.0451","","","","","","1.049","","","","has coordinates,has disorder","290874","2024-04-04","23:00:38",""
"1571044","9.0304","0.0001","26.9733","0.0003","17.9436","0.0002","90","","96.548","0.001","90","","4342.19","0.08","100","0.6","100","0.6","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H85 Li N4 O Si2 -","- C37 H85 Li N4 O Si2 -","- C148 H340 Li4 N16 O4 Si8 -","4","1","","Knüpfer, Christian; Klerner, Lukas; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","s-Block metal complexes of superbulky (<sup><i>t</i></sup>Bu<sub>3</sub>Si)<sub>2</sub>N<sup>-</sup>: a new weakly coordinating anion?","Chemical science","2024","15","12","4386","4395","10.1039/d3sc06896j","","x-ray","1.54184","CuKα","","0.0414","0.039","","","0.1053","0.1077","","","","","","1.041","","","","has coordinates,has disorder","290874","2024-04-04","23:00:38",""
"1571045","37.2445","0.0004","8.91795","0.00008","16.82946","0.00017","90","","102.894","0.001","90","","5448.87","0.1","100","0.2","100","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H50 Li N Si2 -","- C25 H50 Li N Si2 -","- C200 H400 Li8 N8 Si16 -","8","1","","Knüpfer, Christian; Klerner, Lukas; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","s-Block metal complexes of superbulky (<sup><i>t</i></sup>Bu<sub>3</sub>Si)<sub>2</sub>N<sup>-</sup>: a new weakly coordinating anion?","Chemical science","2024","15","12","4386","4395","10.1039/d3sc06896j","","x-ray","1.54184","CuKα","","0.0304","0.0296","","","0.0764","0.0771","","","","","","1.024","","","","has coordinates","290874","2024-04-04","23:00:38",""
"1571046","10.0842","0.0002","16.5825","0.0003","13.3677","0.0002","90","","104.184","0.002","90","","2167.22","0.07","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H42 Li N Si2 -","- C18 H42 Li N Si2 -","- C72 H168 Li4 N4 Si8 -","4","1","","Knüpfer, Christian; Klerner, Lukas; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","s-Block metal complexes of superbulky (<sup><i>t</i></sup>Bu<sub>3</sub>Si)<sub>2</sub>N<sup>-</sup>: a new weakly coordinating anion?","Chemical science","2024","15","12","4386","4395","10.1039/d3sc06896j","","x-ray","1.54184","CuKα","","0.0365","0.0324","","","0.0831","0.0861","","","","","","1.031","","","","has coordinates","290874","2024-04-04","23:00:38",""
"1571047","20.1783","0.0002","12.98186","0.00013","25.395","0.0003","90","","106.455","0.0012","90","","6379.8","0.12","100","0.6","100","0.6","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H118 I N O8 Si2 Sr -","- C56 H118 I N O8 Si2 Sr -","- C224 H472 I4 N4 O32 Si8 Sr4 -","4","1","","Knüpfer, Christian; Klerner, Lukas; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","s-Block metal complexes of superbulky (<sup><i>t</i></sup>Bu<sub>3</sub>Si)<sub>2</sub>N<sup>-</sup>: a new weakly coordinating anion?","Chemical science","2024","15","12","4386","4395","10.1039/d3sc06896j","","x-ray","1.54184","CuKα","","0.0289","0.0268","","","0.067","0.0687","","","","","","1.057","","","","has coordinates,has disorder","290874","2024-04-04","23:00:38",""
"1571048","16.7968","0.0004","16.8461","0.0003","23.1147","0.0005","90","","106.935","0.002","90","","6256.9","0.2","99.97","0.11","99.97","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H112.49 Mg N3 O2 Si2 -","- C61 H112.49 Mg N3 O2 Si2 -","- C244 H449.96 Mg4 N12 O8 Si8 -","4","1","","Knüpfer, Christian; Klerner, Lukas; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","s-Block metal complexes of superbulky (<sup><i>t</i></sup>Bu<sub>3</sub>Si)<sub>2</sub>N<sup>-</sup>: a new weakly coordinating anion?","Chemical science","2024","15","12","4386","4395","10.1039/d3sc06896j","","x-ray","1.54184","CuKα","","0.063","0.054","","","0.1614","0.1646","","","","","","1.128","","","","has coordinates,has disorder","290874","2024-04-04","23:00:38",""
"1571049","20.1279","0.0003","26.8869","0.0004","17.1171","0.0003","90","","90.741","0.002","90","","9262.6","0.3","100","0.4","100","0.4","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H86 Li N O8 Si2 -","- C40 H86 Li N O8 Si2 -","- C320 H688 Li8 N8 O64 Si16 -","8","1","","Knüpfer, Christian; Klerner, Lukas; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","s-Block metal complexes of superbulky (<sup><i>t</i></sup>Bu<sub>3</sub>Si)<sub>2</sub>N<sup>-</sup>: a new weakly coordinating anion?","Chemical science","2024","15","12","4386","4395","10.1039/d3sc06896j","","x-ray","1.54184","CuKα","","0.062","0.0562","","","0.1518","0.1566","","","","","","1.091","","","","has coordinates,has disorder","290874","2024-04-04","23:00:38",""
"1571050","14.353","0.0004","17.6841","0.0007","8.9669","0.0003","90","","90","","90","","2275.98","0.13","100","0.6","100","0.6","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18 H42 Cs N Si2 -","- C18 H42 Cs N Si2 -","- C72 H168 Cs4 N4 Si8 -","4","0.5","","Knüpfer, Christian; Klerner, Lukas; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","s-Block metal complexes of superbulky (<sup><i>t</i></sup>Bu<sub>3</sub>Si)<sub>2</sub>N<sup>-</sup>: a new weakly coordinating anion?","Chemical science","2024","15","12","4386","4395","10.1039/d3sc06896j","","x-ray","0.71073","MoKα","","0.031","0.0234","","","0.0513","0.0554","","","","","","1.048","","","","has coordinates","290874","2024-04-04","23:00:38",""
"1571051","20.286","0.0004","14.13261","0.00017","17.3397","0.0003","90","","113.967","0.002","90","","4542.57","0.15","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H78 Cs N Si2 -","- C45 H78 Cs N Si2 -","- C180 H312 Cs4 N4 Si8 -","4","1","","Knüpfer, Christian; Klerner, Lukas; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","s-Block metal complexes of superbulky (<sup><i>t</i></sup>Bu<sub>3</sub>Si)<sub>2</sub>N<sup>-</sup>: a new weakly coordinating anion?","Chemical science","2024","15","12","4386","4395","10.1039/d3sc06896j","","x-ray","0.71073","MoKα","","0.0331","0.0257","","","0.0568","0.0603","","","","","","1.057","","","","has coordinates","290874","2024-04-04","23:00:38",""
"1571052","11.12464","0.00016","14.7718","0.0002","17.2761","0.0003","86.9319","0.0012","72.3912","0.0013","76.3044","0.0013","2628.53","0.07","100","0.1","100","0.1","","","","","","","","5","P 1","P 1","1","","","","- C24 H54 Li N Si2 -","- C24 H54 Li N Si2 -","- C96 H216 Li4 N4 Si8 -","4","4","","Knüpfer, Christian; Klerner, Lukas; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","s-Block metal complexes of superbulky (<sup><i>t</i></sup>Bu<sub>3</sub>Si)<sub>2</sub>N<sup>-</sup>: a new weakly coordinating anion?","Chemical science","2024","15","12","4386","4395","10.1039/d3sc06896j","","x-ray","1.54184","CuKα","","0.0445","0.0395","","","0.1076","0.1132","","","","","","1.042","","","","has coordinates,has disorder","290874","2024-04-04","23:00:38",""
"1571053","11.8092","0.0003","6.61169","0.00013","18.3462","0.0004","90","","92.755","0.002","90","","1430.79","0.06","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 O2 -","- C19 H22 O2 -","- C76 H88 O8 -","4","1","","Voloshkin, Vladislav A.; Villa, Marco; Martynova, Ekaterina A.; Beliš, Marek; Van Hecke, Kristof; Ceroni, Paola; Nolan, Steven P.","Synthesis of cyclobutane-fused chromanones <i>via</i> gold-mediated photocatalysis.","Chemical science","2024","15","12","4571","4580","10.1039/d3sc06675d","","x-ray","1.54184","CuKα","","0.0441","0.0405","","","0.1073","0.1118","","","","","","1.035","","","","has coordinates","290866","2024-04-04","22:57:36",""
"1571054","20.6949","0.0008","21.4736","0.0008","37.0898","0.0017","86.138","0.003","75.416","0.003","77.503","0.002","15572","1.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C80 H88 O8 S4 -","- C80 H88 O8 S4 -","- C720 H792 O72 S36 -","9","4.5","","An, Dongyue; Zhang, Rong; Zhu, Jiangyu; Wang, Teng; Zhao, Yan; Lu, Xuefeng; Liu, Yunqi","From π-conjugated macrocycles to heterocycloarenes based on benzo[2,1-<i>b</i>:3,4-<i>b</i>']dithiophene (BDTh): size- and geometry-dependent host-guest properties.","Chemical science","2024","15","12","4590","4601","10.1039/d3sc05074b","","","1.54178","CuKα","","0.1787","0.098","","","0.2582","0.3229","","","","","","1.022","","","","has coordinates","290873","2024-04-04","22:59:50",""
"1571055","19.1086","0.0004","21.5706","0.0005","22.0668","0.0006","107.294","0.001","108.154","0.001","109.712","0.001","7266.8","0.3","173","2","173","","","","","","","","","4","P -1","-P 1","2","","","","- C176 H176 O16 S8 -","- C176 H176 O16 S8 -","- C352 H352 O32 S16 -","2","1","","An, Dongyue; Zhang, Rong; Zhu, Jiangyu; Wang, Teng; Zhao, Yan; Lu, Xuefeng; Liu, Yunqi","From π-conjugated macrocycles to heterocycloarenes based on benzo[2,1-<i>b</i>:3,4-<i>b</i>']dithiophene (BDTh): size- and geometry-dependent host-guest properties.","Chemical science","2024","15","12","4590","4601","10.1039/d3sc05074b","","","1.54178","CuKα","","0.1232","0.0632","","","0.1549","0.1877","","","","","","0.995","","","","has coordinates,has disorder","290873","2024-04-04","22:59:50",""
"1571056","36.5768","0.0008","36.5768","0.0008","36.5768","0.0008","90","","90","","90","","48934.7","1.9","170","2","170","","","","","","","","","4","I a -3","-I 2b 2c 3","206","","MS6T@C70","","- C310 H264 O24 S12 -","- C310.014 H264 O24 S12 -","- C2480.11 H2112 O192 S96 -","8","0.166667","","An, Dongyue; Zhang, Rong; Zhu, Jiangyu; Wang, Teng; Zhao, Yan; Lu, Xuefeng; Liu, Yunqi","From π-conjugated macrocycles to heterocycloarenes based on benzo[2,1-<i>b</i>:3,4-<i>b</i>']dithiophene (BDTh): size- and geometry-dependent host-guest properties.","Chemical science","2024","15","12","4590","4601","10.1039/d3sc05074b","","","1.54178","CuKα","","0.2527","0.1824","","","0.4436","0.5144","","","","","","1.586","","","","has coordinates,has disorder","290873","2024-04-04","22:59:50",""
"1571057","19.7811","0.0006","21.1752","0.0006","22.0693","0.0006","78.003","0.001","84.786","0.002","86.057","0.002","8993","0.4","173","","173","","","","","","","","","4","P -1","-P 1","2","","MS6T@C60","","- C273.75 H136 O12 S6.5 -","- C273.75 H136 O12 S6.5 -","- C547.5 H272 O24 S13 -","2","1","","An, Dongyue; Zhang, Rong; Zhu, Jiangyu; Wang, Teng; Zhao, Yan; Lu, Xuefeng; Liu, Yunqi","From π-conjugated macrocycles to heterocycloarenes based on benzo[2,1-<i>b</i>:3,4-<i>b</i>']dithiophene (BDTh): size- and geometry-dependent host-guest properties.","Chemical science","2024","15","12","4590","4601","10.1039/d3sc05074b","","","1.54178","CuKα","","0.212","0.1787","","","0.4833","0.5162","","","","","","2.202","","","","has coordinates,has disorder","290873","2024-04-04","22:59:50",""
"1571058","12.0996","0.0009","15.2353","0.0012","17.5608","0.0012","105.518","0.003","90.022","0.003","94.87","0.003","3107","0.4","100.01","","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H45 B11 N4 Si2 -","- C20 H45 B11 N4 Si2 -","- C80 H180 B44 N16 Si8 -","4","2","","Wang, Junyi; Xiang, Libo; Liu, Xiaocui; Matler, Alexander; Lin, Zhenyang; Ye, Qing","Avenue to novel <i>o</i>-carboranyl boron compounds - reactivity study of <i>o</i>-carborane-fused aminoborirane towards organic azides.","Chemical science","2024","15","13","4839","4845","10.1039/d4sc00489b","","","0.71073","MoKα","","0.1314","0.0947","","","0.2072","0.2209","","","","","","1.093","","","","has coordinates","290843","2024-04-04","22:47:52",""
"1571059","10.099","0.0002","10.6588","0.0001","13.6478","0.0002","85.581","0.001","72.43","0.001","72.345","0.001","1334.42","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H31 B11 Cl2 N4 Si2 -","- C14 H31 B11 Cl2 N4 Si2 -","- C28 H62 B22 Cl4 N8 Si4 -","2","1","","Wang, Junyi; Xiang, Libo; Liu, Xiaocui; Matler, Alexander; Lin, Zhenyang; Ye, Qing","Avenue to novel <i>o</i>-carboranyl boron compounds - reactivity study of <i>o</i>-carborane-fused aminoborirane towards organic azides.","Chemical science","2024","15","13","4839","4845","10.1039/d4sc00489b","","x-ray","1.54184","CuKα","K-L~2,3~","0.031","0.0295","","","0.0817","0.0832","","","","","","1.07","","","","has coordinates","290843","2024-04-04","22:47:53",""
"1571060","18.6315","0.0018","11.0376","0.001","22.7392","0.0017","90","","108.033","0.003","90","","4446.5","0.7","99.99","","99.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H63 B22 N5 Si4 -","- C23 H63 B22 N5 Si4 -","- C92 H252 B88 N20 Si16 -","4","1","","Wang, Junyi; Xiang, Libo; Liu, Xiaocui; Matler, Alexander; Lin, Zhenyang; Ye, Qing","Avenue to novel <i>o</i>-carboranyl boron compounds - reactivity study of <i>o</i>-carborane-fused aminoborirane towards organic azides.","Chemical science","2024","15","13","4839","4845","10.1039/d4sc00489b","","","0.71073","MoKα","","0.0795","0.0457","","","0.1158","0.1297","","","","","","1.076","","","","has coordinates","290843","2024-04-04","22:47:53",""
"1571061","9.9271","0.0003","24.775","0.0006","10.7243","0.0003","90","","109.394","0.001","90","","2487.91","0.12","99.99","","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H37 B11 N2 Si3 -","- C11 H37 B11 N2 Si3 -","- C44 H148 B44 N8 Si12 -","4","1","","Wang, Junyi; Xiang, Libo; Liu, Xiaocui; Matler, Alexander; Lin, Zhenyang; Ye, Qing","Avenue to novel <i>o</i>-carboranyl boron compounds - reactivity study of <i>o</i>-carborane-fused aminoborirane towards organic azides.","Chemical science","2024","15","13","4839","4845","10.1039/d4sc00489b","","","0.71073","MoKα","","0.0357","0.0316","","","0.0822","0.0854","","","","","","1.049","","","","has coordinates","290843","2024-04-04","22:47:53",""
"1571062","9.2271","0.0006","10.9005","0.0005","18.1246","0.0012","87.183","0.002","85.142","0.003","77.257","0.002","1770.81","0.18","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C49 H38 B N O -","- C49 H38 B N O -","- C98 H76 B2 N2 O2 -","2","1","","Li, Chuan; Zhang, Kai; Luo, Yanju; Yang, Yang; Huang, Yong; Jia, Mengjiao; He, Yuling; Lei, Yue; Tang, Jian-Xin; Huang, Yan; Lu, Zhiyun","Realizing highly efficient deep-blue organic light-emitting diodes towards Rec.2020 chromaticity by restricting the vibration of the molecular framework.","Chemical science","2024","15","13","4790","4796","10.1039/d3sc06763g","","","0.71073","MoKα","","0.0872","0.0511","","","0.1125","0.1293","","","","","","1.013","","","","has coordinates","290844","2024-04-04","22:48:03",""
"1571063","18.072","0.003","9.2591","0.0016","42.868","0.008","90","","93.026","0.011","90","","7163","2","150","2","150","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C48 H38 B N O S -","- C48 H38 B N O S -","- C384 H304 B8 N8 O8 S8 -","8","1","","Li, Chuan; Zhang, Kai; Luo, Yanju; Yang, Yang; Huang, Yong; Jia, Mengjiao; He, Yuling; Lei, Yue; Tang, Jian-Xin; Huang, Yan; Lu, Zhiyun","Realizing highly efficient deep-blue organic light-emitting diodes towards Rec.2020 chromaticity by restricting the vibration of the molecular framework.","Chemical science","2024","15","13","4790","4796","10.1039/d3sc06763g","","","0.71073","MoKα","","0.127","0.0786","","","0.1906","0.2243","","","","","","1.047","","","","has coordinates","290844","2024-04-04","22:48:03",""
"1571064","10.1637","0.0006","19.7936","0.0011","25.9343","0.0016","90","","90","","90","","5217.4","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H24 Br2 N4 O -","- C27 H24 Br2 N4 O -","- C216 H192 Br16 N32 O8 -","8","1","","Ballav, Nityananda; Saha, Shib Nath; Yadav, Shailesh; Baidya, Mahiuddin","Three-component dicarbofunctionalization of allylamines <i>via</i> nucleopalladation pathway: unlocking vicinal and geminal selectivity.","Chemical science","2024","15","13","4890","4896","10.1039/d4sc00607k","","","0.71073","MoKα","","0.0903","0.0531","","","0.1253","0.1443","","","","","","1.048","","","","has coordinates","290848","2024-04-04","22:49:12",""
"1571065","22.8453","0.0003","23.793","0.0003","26.4043","0.0003","90","","90","","90","","14352.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C120 H204 Au12 Cd2 S12 -","- C120 H204 Au12 Cd2 S12 -","- C480 H816 Au48 Cd8 S48 -","4","1","","Zhou, Jun; Yang, Xiaofei; Zheng, Peisen; Li, Qinzhen; Li, Xiaowu; Chai, Jinsong; Huang, Baoyu; Yang, Sha; Zhu, Manzhou","Construction of an Au<sub>12</sub>Cd<sub>2</sub> nanocluster with circularly polarized luminescence by a metal- and ligand-exchange strategy.","Chemical science","2024","15","13","4853","4859","10.1039/d3sc06810b","","","1.54186","CuKα","","0.0847","0.0656","","","0.1691","0.1769","","","","","","0.974","","","","has coordinates","290846","2024-04-04","22:48:48",""
"1571066","19.1684","0.0003","27.7216","0.0003","28.1292","0.0004","90","","98.324","0.001","90","","14789.8","0.4","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C120 H204 Au12 Cd2 S12 -","- C120 H204 Au12 Cd2 S12 -","- C480 H816 Au48 Cd8 S48 -","4","2","","Zhou, Jun; Yang, Xiaofei; Zheng, Peisen; Li, Qinzhen; Li, Xiaowu; Chai, Jinsong; Huang, Baoyu; Yang, Sha; Zhu, Manzhou","Construction of an Au<sub>12</sub>Cd<sub>2</sub> nanocluster with circularly polarized luminescence by a metal- and ligand-exchange strategy.","Chemical science","2024","15","13","4853","4859","10.1039/d3sc06810b","","","1.54186","CuKα","","0.0958","0.0796","","","0.1967","0.2235","","","","","","1.008","","","","has coordinates","290846","2024-04-04","22:48:48",""
"1571067","22.888","0.003","9.0423","0.0011","17.724","0.002","90","","115.556","0.004","90","","3309.3","0.7","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 Cl2 I2 N6 O2 Zn -","- C26 H32 Cl2 I2 N6 O2 Zn -","- C104 H128 Cl8 I8 N24 O8 Zn4 -","4","0.5","","Sahoo, Sangita; Manna, Subarna; Rit, Arnab","Unravelling a bench-stable zinc-amide compound as highly active multitasking catalyst for radical-mediated selective alk(en)ylation of unactivated carbocycles under mild conditions.","Chemical science","2024","15","14","5238","5247","10.1039/d3sc06334h","","","0.71073","MoKα","","0.0932","0.0653","","","0.1688","0.1905","","","","","","0.984","","","","has coordinates","291574","2024-05-05","01:46:44",""
"1571068","13.7387","0.0012","20.547","0.002","8.4283","0.0009","90","","90","","90","","2379.2","0.4","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","Prop-2-ynyl 3-methoxy-4-(prop-2-ynyloxy)benzoate","","- C14 H12 O4 -","- C14 H12 O4 -","- C112 H96 O32 -","8","2","HB4463","Moodley, Cresten; Muller, Alfred; Belay, Yonas H.","Prop-2-ynyl 3-methoxy-4-(prop-2-ynyloxy)benzoate","IUCrData","2024","9","2","","","10.1107/S2414314624001639","","","0.71073","MoKα","","0.1043","0.0518","","","0.0919","0.1106","","","","","","0.998","","","","has coordinates","289981","2024-02-28","03:28:37",""
"1571069","14.3298","0.0001","27.6726","0.0002","18.9178","0.0002","90","","110.718","0.001","90","","7016.6","0.11","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H82 Fe2 K2 N6 O12 Pb9 -","- C46 H82 Fe2 K2 N6 O12 Pb9 -","- C184 H328 Fe8 K8 N24 O48 Pb36 -","4","1","","Chen, Wei-Xing; Li, Zi-Sheng; Morgan, Harry W. T.; Shu, Cong-Cong; Sun, Zhong-Ming; McGrady, John E.","Fe-Fe bonding in the rhombic Fe<sub>4</sub> cores of the Zintl clusters [Fe<sub>4</sub>E<sub>18</sub>]<sup>4-</sup> (E = Sn and Pb).","Chemical science","2024","15","13","4981","4988","10.1039/d4sc00165f","","x-ray","1.54184","CuKα","","0.0665","0.0597","","","0.1603","0.1658","","","","","","1.017","","","","has coordinates","290847","2024-04-04","22:49:03",""
"1571070","14.3074","0.0001","27.4645","0.0002","18.8056","0.0001","90","","110.678","0.001","90","","6913.54","0.09","100.01","0.11","100.01","0.11","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C92 H164 Fe4 K4 N12 O24 Sn18 -","- C92 H164 Fe4 K4 N12 O24 Sn18 -","- C184 H328 Fe8 K8 N24 O48 Sn36 -","2","0.5","","Chen, Wei-Xing; Li, Zi-Sheng; Morgan, Harry W. T.; Shu, Cong-Cong; Sun, Zhong-Ming; McGrady, John E.","Fe-Fe bonding in the rhombic Fe<sub>4</sub> cores of the Zintl clusters [Fe<sub>4</sub>E<sub>18</sub>]<sup>4-</sup> (E = Sn and Pb).","Chemical science","2024","15","13","4981","4988","10.1039/d4sc00165f","","x-ray","1.54184","CuKα","","0.0472","0.0368","","","0.0886","0.0921","","","","","","1.016","","","","has coordinates,has disorder","290847","2024-04-04","22:49:04",""
"1571071","15.7369","0.0002","15.9735","0.0003","16.6129","0.0002","107.761","0.0014","97.0389","0.0012","112.88","0.0015","3522.99","0.11","129.99","0.1","129.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C42 H86 Fe2 K2 N6 O14 Sn9 -","- C42 H86 Fe2 K2 N6 O14 Sn9 -","- C84 H172 Fe4 K4 N12 O28 Sn18 -","2","1","","Chen, Wei-Xing; Li, Zi-Sheng; Morgan, Harry W. T.; Shu, Cong-Cong; Sun, Zhong-Ming; McGrady, John E.","Fe-Fe bonding in the rhombic Fe<sub>4</sub> cores of the Zintl clusters [Fe<sub>4</sub>E<sub>18</sub>]<sup>4-</sup> (E = Sn and Pb).","Chemical science","2024","15","13","4981","4988","10.1039/d4sc00165f","","x-ray","1.54184","CuKα","","0.0568","0.0518","","","0.1385","0.1423","","","","","","1.034","","","","has coordinates","290847","2024-04-04","22:49:04",""
"1571072","10.8789","0.0002","8.8689","0.0001","11.6944","0.0002","90","","110.898","0.001","90","","1054.1","0.03","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H25 N O2 -","- C27 H25 N O2 -","- C54 H50 N2 O4 -","2","1","","Zhan, Tangyu; Zhou, Liang; Zhou, Yuqiao; Yang, Bingqian; Feng, Xiaoming; Liu, Xiaohua","Iron<sup>III</sup>-catalyzed asymmetric inverse-electron-demand hetero-Diels-Alder reaction of dioxopyrrolidines with simple olefins.","Chemical science","2024","15","13","4797","4803","10.1039/d4sc00078a","","","1.54178","CuKα","","0.0324","0.0317","","","0.0835","0.0842","","","","","","1.039","","","","has coordinates","290845","2024-04-04","22:48:14",""
"1571073","6.0177","0.0001","14.5243","0.0003","23.7109","0.0005","90","","90","","90","","2072.4","0.07","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 N O2 -","- C26 H23 N O2 -","- C104 H92 N4 O8 -","4","1","","Zhan, Tangyu; Zhou, Liang; Zhou, Yuqiao; Yang, Bingqian; Feng, Xiaoming; Liu, Xiaohua","Iron<sup>III</sup>-catalyzed asymmetric inverse-electron-demand hetero-Diels-Alder reaction of dioxopyrrolidines with simple olefins.","Chemical science","2024","15","13","4797","4803","10.1039/d4sc00078a","","","1.54178","CuKα","","0.0382","0.035","","","0.0809","0.0824","","","","","","1.044","","","","has coordinates","290845","2024-04-04","22:48:24",""
"1571074","8.7506","0.0002","9.999","0.0002","25.027","0.0006","90","","90","","90","","2189.79","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 N O4 -","- C26 H23 N O4 -","- C104 H92 N4 O16 -","4","1","","Zhan, Tangyu; Zhou, Liang; Zhou, Yuqiao; Yang, Bingqian; Feng, Xiaoming; Liu, Xiaohua","Iron<sup>III</sup>-catalyzed asymmetric inverse-electron-demand hetero-Diels-Alder reaction of dioxopyrrolidines with simple olefins.","Chemical science","2024","15","13","4797","4803","10.1039/d4sc00078a","","","1.54178","CuKα","","0.037","0.0364","","","0.0951","0.0958","","","","","","1.054","","","","has coordinates","290845","2024-04-04","22:48:25",""
"1571075","12.3363","0.0001","22.0219","0.0002","24.3308","0.0003","90","","96.052","0.001","90","","6573.08","0.11","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H97 N4 O2 P2 -","- C72 H97 N4 O2 P2 -","- C288 H388 N16 O8 P8 -","4","1","","Liu, Shihua; Li, Yinwu; Lin, Jieli; Ke, Zhuofeng; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Sequential radical and cationic reactivity at separated sites within one molecule in solution.","Chemical science","2024","15","14","5376","5384","10.1039/d4sc00201f","","x-ray","1.54184","CuKα","","0.0637","0.0568","","","0.1624","0.1688","","","","","","1.041","","","","has coordinates","291575","2024-05-05","01:51:16",""
"1571076","30.4484","0.0002","15.1788","0.0001","14.0258","0.0001","90","","90","","90","","6482.31","0.08","149.99","0.1","149.99","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C71 H93 N5 O2 P2 -","- C71 H93 N5 O2 P2 -","- C284 H372 N20 O8 P8 -","4","1","","Liu, Shihua; Li, Yinwu; Lin, Jieli; Ke, Zhuofeng; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Sequential radical and cationic reactivity at separated sites within one molecule in solution.","Chemical science","2024","15","14","5376","5384","10.1039/d4sc00201f","","x-ray","1.54184","CuKα","","0.0341","0.0331","","","0.0888","0.0895","","","","","","1.034","","","","has coordinates","291575","2024-05-05","01:51:24",""
"1571077","15.1726","0.0002","16.6364","0.0002","21.9306","0.0002","103.617","0.001","108.01","0.001","91.825","0.001","5083.56","0.11","149.98","0.1","149.98","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C107 H107 B F24 N4 O2 P2 S -","- C107 H107 B F24 N4 O2 P2 S -","- C214 H214 B2 F48 N8 O4 P4 S2 -","2","1","","Liu, Shihua; Li, Yinwu; Lin, Jieli; Ke, Zhuofeng; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Sequential radical and cationic reactivity at separated sites within one molecule in solution.","Chemical science","2024","15","14","5376","5384","10.1039/d4sc00201f","","x-ray","1.54184","CuKα","","0.0906","0.0779","","","0.2159","0.2269","","","","","","1.072","","","","has coordinates,has disorder","291575","2024-05-05","01:51:27",""
"1571078","12.9969","0.0005","20.0236","0.0007","20.1523","0.0007","106.472","0.002","101.18","0.002","96.412","0.002","4855.8","0.3","150","2","150","","","","","","","","","7","P -1","-P 1","2","","","","- C101 H102 B F24 N4 O2 P2 -","- C101 H102 B F23.9994 N4 O2 P2 -","- C202 H204 B2 F47.9988 N8 O4 P4 -","2","1","","Liu, Shihua; Li, Yinwu; Lin, Jieli; Ke, Zhuofeng; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Sequential radical and cationic reactivity at separated sites within one molecule in solution.","Chemical science","2024","15","14","5376","5384","10.1039/d4sc00201f","","","0.71073","MoKα","","0.1929","0.089","","","0.1776","0.2327","","","","","","1.024","","","","has coordinates,has disorder","291575","2024-05-05","01:51:27",""
"1571079","14.7749","0.0002","16.5982","0.0002","20.9941","0.0002","72.259","0.001","77.193","0.001","89.943","0.001","4769.4","0.1","103","5","103","5","","","","","","","","7","P -1","-P 1","2","","","","- C195 H203 B2 F48 N8 O8 P4 -","- C195 H203 B2 F48 N8 O8 P4 -","- C195 H203 B2 F48 N8 O8 P4 -","1","0.5","","Liu, Shihua; Li, Yinwu; Lin, Jieli; Ke, Zhuofeng; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Sequential radical and cationic reactivity at separated sites within one molecule in solution.","Chemical science","2024","15","14","5376","5384","10.1039/d4sc00201f","","x-ray","1.54184","CuKα","","0.0693","0.0606","","","0.1649","0.1718","","","","","","1.044","","","","has coordinates","291575","2024-05-05","01:51:27",""
"1571080","26.0037","0.0008","13.0979","0.0003","40.762","0.0009","90","","95.402","0.002","90","","13821.6","0.6","149.99","0.1","149.99","0.1","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C300 H380 F4 N16 O8 P8 S4 -","- C300 H380 F4 N16 O8 P8 S4 -","- C600 H760 F8 N32 O16 P16 S8 -","2","0.5","","Liu, Shihua; Li, Yinwu; Lin, Jieli; Ke, Zhuofeng; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Sequential radical and cationic reactivity at separated sites within one molecule in solution.","Chemical science","2024","15","14","5376","5384","10.1039/d4sc00201f","","x-ray","1.54184","CuKα","","0.0995","0.072","","","0.198","0.2158","","","","","","1.053","","","","has coordinates,has disorder","291575","2024-05-05","01:51:27",""
"1571081","13.4882","0.0006","17.4109","0.0007","22.772","0.0009","87.067","0.002","73.3","0.002","89.995","0.002","5115","0.4","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C100 H108 B F24 N4 O4 P2 Si -","- C100 H108 B F24 N4 O4 P2 Si -","- C200 H216 B2 F48 N8 O8 P4 Si2 -","2","1","","Liu, Shihua; Li, Yinwu; Lin, Jieli; Ke, Zhuofeng; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Sequential radical and cationic reactivity at separated sites within one molecule in solution.","Chemical science","2024","15","14","5376","5384","10.1039/d4sc00201f","","","0.71073","MoKα","","0.0787","0.0638","","","0.1761","0.1867","","","","","","1.08","","","","has coordinates,has disorder","291575","2024-05-05","01:51:27",""
"1571082","12.4929","0.0002","18.7651","0.0003","22.0705","0.0002","106.62","0.001","95.643","0.001","92.863","0.001","4917.25","0.12","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C102 H104 B F24 N7 O2 P2 -","- C102 H104 B F24 N7 O2 P2 -","- C204 H208 B2 F48 N14 O4 P4 -","2","1","","Liu, Shihua; Li, Yinwu; Lin, Jieli; Ke, Zhuofeng; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Sequential radical and cationic reactivity at separated sites within one molecule in solution.","Chemical science","2024","15","14","5376","5384","10.1039/d4sc00201f","","x-ray","1.54184","CuKα","","0.1259","0.0953","","","0.2679","0.2913","","","","","","1.08","","","","has coordinates,has disorder","291575","2024-05-05","01:51:27",""
"1571083","8.4826","0.0008","17.7973","0.0016","37.589","0.005","90","","90","","90","","5674.7","1.1","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H45 Au B P -","- C30 H45 Au B P -","- C240 H360 Au8 B8 P8 -","8","1","","Hidalgo, Nereida; Le Gac, Arnaud; Mallet-Ladeira, Sonia; Bouhadir, Ghenwa; Bourissou, Didier","Chemo-selective Stille-type coupling of acyl-chlorides upon phosphine-borane Au(i) catalysis.","Chemical science","2024","15","14","5187","5191","10.1039/d3sc06193k","","","0.71073","MoKα","","0.0337","0.0224","","","0.0495","0.0528","","","","","","1.038","","","","has coordinates","291577","2024-05-05","01:53:50",""
"1571084","9.572","0.0004","39.2345","0.0015","15.7352","0.0006","90","","95.739","0.002","90","","5879.8","0.4","193","2","193","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C50 H80 Au2 B2 Cl F6 N O4 P2 S2 -","- C50 H80 Au2 B2 Cl F6 N O4 P2 S2 -","- C200 H320 Au8 B8 Cl4 F24 N4 O16 P8 S8 -","4","1","","Hidalgo, Nereida; Le Gac, Arnaud; Mallet-Ladeira, Sonia; Bouhadir, Ghenwa; Bourissou, Didier","Chemo-selective Stille-type coupling of acyl-chlorides upon phosphine-borane Au(i) catalysis.","Chemical science","2024","15","14","5187","5191","10.1039/d3sc06193k","","","1.54178","CuKα","","0.0274","0.0271","","","0.0676","0.0678","","","","","","1.087","","","","has coordinates","291577","2024-05-05","01:53:56",""
"1571085","10.8707","0.0011","11.6793","0.0012","48.43","0.005","89.013","0.002","86.081","0.002","85.987","0.002","6118.9","1.1","193","2","193","2","","","","","","","","9","P -1","-P 1","2","","","","- C56 H85 Au2 B2 F6 N O4 P2 S2 -","- C56 H85 Au2 B2 F6 N O4 P2 S2 -","- C224 H340 Au8 B8 F24 N4 O16 P8 S8 -","4","2","","Hidalgo, Nereida; Le Gac, Arnaud; Mallet-Ladeira, Sonia; Bouhadir, Ghenwa; Bourissou, Didier","Chemo-selective Stille-type coupling of acyl-chlorides upon phosphine-borane Au(i) catalysis.","Chemical science","2024","15","14","5187","5191","10.1039/d3sc06193k","","","0.71073","MoKα","","0.1192","0.0566","","","0.0973","0.1203","","","","","","1.02","","","","has coordinates,has disorder","291577","2024-05-05","01:53:56",""
"1571086","5.1722","0.0004","11.4102","0.0009","12.6516","0.0011","76.401","0.004","85.975","0.004","80.371","0.004","715.12","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H11 Br N2 O4 -","- C15 H11 Br N2 O4 -","- C30 H22 Br2 N4 O8 -","2","1","","Shahbaz, Muhammad; Farooq, Saba; Choudhary, M. Iqbal; Yousuf, Sammer","Cocrystals of a coumarin derivative: an efficient approach towards anti-leishmanial cocrystals against MIL-resistant Leishmania tropica.","IUCrJ","2024","11","2","224","236","10.1107/S2052252524001416","","","1.54178","CuKα","","0.045","0.0372","","","0.0916","0.0976","","","","","","1.086","","","","has coordinates","290341","2024-03-05","20:46:43",""
"1571087","28.3874","0.001","4.9666","0.0002","21.326","0.0007","90","","95.807","0.002","90","","2991.3","0.19","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H11 F3 N2 O4 -","- C16 H11 F3 N2 O4 -","- C128 H88 F24 N16 O32 -","8","1","","Shahbaz, Muhammad; Farooq, Saba; Choudhary, M. Iqbal; Yousuf, Sammer","Cocrystals of a coumarin derivative: an efficient approach towards anti-leishmanial cocrystals against MIL-resistant Leishmania tropica.","IUCrJ","2024","11","2","224","236","10.1107/S2052252524001416","","","1.54178","CuKα","","0.0327","0.0315","","","0.093","0.0942","","","","","","1.037","","","","has coordinates","290341","2024-03-05","20:46:43",""
"1571088","8.5818","0.0003","21.8411","0.0007","7.7116","0.0002","90","","95.273","0.001","90","","1439.31","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","- C64 H56 N8 O16 -","4","1","","Shahbaz, Muhammad; Farooq, Saba; Choudhary, M. Iqbal; Yousuf, Sammer","Cocrystals of a coumarin derivative: an efficient approach towards anti-leishmanial cocrystals against MIL-resistant Leishmania tropica.","IUCrJ","2024","11","2","224","236","10.1107/S2052252524001416","","","1.54178","CuKα","","0.0586","0.0467","","","0.1196","0.1277","","","","","","1.089","","","","has coordinates","290341","2024-03-05","20:46:43",""
"1571089","11.6158","0.0003","7.6829","0.0002","16.7602","0.0004","90","","103.279","0.001","90","","1455.74","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 N O6 -","- C17 H13 N O6 -","- C68 H52 N4 O24 -","4","1","","Shahbaz, Muhammad; Farooq, Saba; Choudhary, M. Iqbal; Yousuf, Sammer","Cocrystals of a coumarin derivative: an efficient approach towards anti-leishmanial cocrystals against MIL-resistant Leishmania tropica.","IUCrJ","2024","11","2","224","236","10.1107/S2052252524001416","","","1.54178","CuKα","","0.0411","0.0385","","","0.1073","0.1099","","","","","","1.057","","","","has coordinates","290341","2024-03-05","20:46:43",""
"1571090","26.172","0.003","3.9741","0.0004","11.4267","0.0011","90","","90","","90","","1188.5","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H9 N4 O4 -","- C12 H10 N4 O4 -","- C48 H40 N16 O16 -","4","1","","Shahbaz, Muhammad; Farooq, Saba; Choudhary, M. Iqbal; Yousuf, Sammer","Cocrystals of a coumarin derivative: an efficient approach towards anti-leishmanial cocrystals against MIL-resistant Leishmania tropica.","IUCrJ","2024","11","2","224","236","10.1107/S2052252524001416","","","1.54178","CuKα","","0.1295","0.071","","","0.152","0.1769","","","","","","1.063","","","","has coordinates","290341","2024-03-05","20:46:43",""
"1571091","13.5866","0.0008","25.3514","0.0014","28.7868","0.0015","90","","90","","90","","9915.3","1","193","","193","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","HIAM-4040","","- C33 H15 N2 O32 Zr6 -","- C33 H15 N2 O32 Zr6 -","- C132 H60 N8 O128 Zr24 -","4","1","","Peng, Tianyou; Han, Chao-Qin; Xia, Hai-Lun; Zhou, Kang; Zhang, Jian; Si, Jincheng; Wang, Lei; Miao, Jiafeng; Guo, Fu-An; Wang, Hao; Qu, Lu-Lu; Xu, Guozhong; Li, Jing; Liu, Xiao-Yuan","Reticular chemistry guided precise construction of zirconium-pentacarboxylate frameworks with 5-connected Zr<sub>6</sub> clusters.","Chemical science","2024","15","9","3174","3181","10.1039/d3sc05410a","","","1.34139","GaKα","","0.0512","0.0383","","","0.0878","0.092","","","","","","0.913","","","","has coordinates","290044","2024-03-04","02:09:41",""
"1571092","25.437","0.002","28.85","0.002","12.9217","0.0011","90","","90","","90","","9482.7","1.3","193","","193","","","","","","","","","5","I m m a","-I 2b 2","74","","HIAM-4040-OH-EtOH","","- C33 H20 N2 O27 Zr6 -","- C33 H20 N2 O27 Zr6 -","- C132 H80 N8 O108 Zr24 -","4","0.25","","Peng, Tianyou; Han, Chao-Qin; Xia, Hai-Lun; Zhou, Kang; Zhang, Jian; Si, Jincheng; Wang, Lei; Miao, Jiafeng; Guo, Fu-An; Wang, Hao; Qu, Lu-Lu; Xu, Guozhong; Li, Jing; Liu, Xiao-Yuan","Reticular chemistry guided precise construction of zirconium-pentacarboxylate frameworks with 5-connected Zr<sub>6</sub> clusters.","Chemical science","2024","15","9","3174","3181","10.1039/d3sc05410a","","","0.71073","MoKα","","0.1433","0.103","","","0.2936","0.3269","","","","","","1.04","","","","has coordinates,has disorder","290044","2024-03-04","02:09:42",""
"1571093","28.527","0.006","25.427","0.004","13.449","0.003","90","","90","","90","","9755","3","323","","323","","","","","","","","","5","P n m a","-P 2ac 2n","62","","HIAM-4040-OH-323K","","- C33 H16 N2 O33 Zr6 -","- C33 H16 N2 O33 Zr6 -","- C132 H64 N8 O132 Zr24 -","4","0.5","","Peng, Tianyou; Han, Chao-Qin; Xia, Hai-Lun; Zhou, Kang; Zhang, Jian; Si, Jincheng; Wang, Lei; Miao, Jiafeng; Guo, Fu-An; Wang, Hao; Qu, Lu-Lu; Xu, Guozhong; Li, Jing; Liu, Xiao-Yuan","Reticular chemistry guided precise construction of zirconium-pentacarboxylate frameworks with 5-connected Zr<sub>6</sub> clusters.","Chemical science","2024","15","9","3174","3181","10.1039/d3sc05410a","","","1.54178","CuKα","","0.0928","0.0694","","","0.186","0.2078","","","","","","0.93","","","","has coordinates,has disorder","290044","2024-03-04","02:09:42",""
"1571094","28.6081","0.0013","25.3758","0.0013","13.7747","0.0007","90","","90","","90","","9999.8","0.9","193","","193","","","","","","","","","5","P n m a","-P 2ac 2n","62","","HIAM-4040-OH","","- C33 H16 N2 O33 Zr6 -","- C33 H16 N2 O33 Zr6 -","- C132 H64 N8 O132 Zr24 -","4","0.5","","Peng, Tianyou; Han, Chao-Qin; Xia, Hai-Lun; Zhou, Kang; Zhang, Jian; Si, Jincheng; Wang, Lei; Miao, Jiafeng; Guo, Fu-An; Wang, Hao; Qu, Lu-Lu; Xu, Guozhong; Li, Jing; Liu, Xiao-Yuan","Reticular chemistry guided precise construction of zirconium-pentacarboxylate frameworks with 5-connected Zr<sub>6</sub> clusters.","Chemical science","2024","15","9","3174","3181","10.1039/d3sc05410a","","","0.71073","MoKα","","0.1123","0.0734","","","0.1763","0.1972","","","","","","1.059","","","","has coordinates,has disorder","290044","2024-03-04","02:09:42",""
"1571095","28.822","0.003","25.209","0.002","13.8069","0.0013","90","","90","","90","","10031.7","1.6","193","","193","","","","","","","","","5","P n m a","-P 2ac 2n","62","","HIAM-4040-OH-pH2","","- C33 H16 N2 O33 Zr6 -","- C33 H16 N2 O33 Zr6 -","- C132 H64 N8 O132 Zr24 -","4","0.5","","Peng, Tianyou; Han, Chao-Qin; Xia, Hai-Lun; Zhou, Kang; Zhang, Jian; Si, Jincheng; Wang, Lei; Miao, Jiafeng; Guo, Fu-An; Wang, Hao; Qu, Lu-Lu; Xu, Guozhong; Li, Jing; Liu, Xiao-Yuan","Reticular chemistry guided precise construction of zirconium-pentacarboxylate frameworks with 5-connected Zr<sub>6</sub> clusters.","Chemical science","2024","15","9","3174","3181","10.1039/d3sc05410a","","","0.71073","MoKα","","0.0816","0.0524","","","0.1387","0.1522","","","","","","1.038","","","","has coordinates,has disorder","290044","2024-03-04","02:09:42",""
"1571096","28.8021","0.0013","25.366","0.0012","13.6242","0.0007","90","","90","","90","","9953.8","0.8","193","","193","","","","","","","","","5","P n m a","-P 2ac 2n","62","","HIAM-4040-OH-pH12","","- C33 H16 N2 O33 Zr6 -","- C33 H16 N2 O33 Zr6 -","- C132 H64 N8 O132 Zr24 -","4","0.5","","Peng, Tianyou; Han, Chao-Qin; Xia, Hai-Lun; Zhou, Kang; Zhang, Jian; Si, Jincheng; Wang, Lei; Miao, Jiafeng; Guo, Fu-An; Wang, Hao; Qu, Lu-Lu; Xu, Guozhong; Li, Jing; Liu, Xiao-Yuan","Reticular chemistry guided precise construction of zirconium-pentacarboxylate frameworks with 5-connected Zr<sub>6</sub> clusters.","Chemical science","2024","15","9","3174","3181","10.1039/d3sc05410a","","","0.71073","MoKα","","0.0739","0.0512","","","0.1391","0.1507","","","","","","1.037","","","","has coordinates,has disorder","290044","2024-03-04","02:09:42",""
"1571097","28.5667","0.0011","25.4597","0.0008","13.5472","0.0007","90","","90","","90","","9852.9","0.7","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","HIAM-4040-OH-293K","","- C33 H15 N2 O33 Zr6 -","- C33 H15 N2 O33 Zr6 -","- C132 H60 N8 O132 Zr24 -","4","0.5","","Peng, Tianyou; Han, Chao-Qin; Xia, Hai-Lun; Zhou, Kang; Zhang, Jian; Si, Jincheng; Wang, Lei; Miao, Jiafeng; Guo, Fu-An; Wang, Hao; Qu, Lu-Lu; Xu, Guozhong; Li, Jing; Liu, Xiao-Yuan","Reticular chemistry guided precise construction of zirconium-pentacarboxylate frameworks with 5-connected Zr<sub>6</sub> clusters.","Chemical science","2024","15","9","3174","3181","10.1039/d3sc05410a","","","1.54178","CuKα","","0.0563","0.0431","","","0.1264","0.1342","","","","","","1.078","","","","has coordinates,has disorder","290044","2024-03-04","02:09:42",""
"1571098","10.7927","0.0006","9.9495","0.0006","10.0194","0.0006","90","","90","","90","","1075.9","0.11","293","","293","","0.282","","","","","","synthesised in the lab","5","C c c m","-C 2 2c","66","RbCuCo","rubidium copper hexacyanocobaltate","","- C5.52 Co0.92 Cu N5.52 Rb0.9 -","- C5.52 Co0.92 Cu N5.52 Rb0.9 -","- C22.08 Co3.68 Cu4 N22.08 Rb3.6 -","4","0.25","","Boström, Hanna L B; Cairns, Andrew B.; Chen, Muzi; Daisenberger, Dominik; Ridley, Christopher J.; Funnell, Nicholas P.","The pressure response of Jahn-Teller-distorted Prussian blue analogues.","Chemical science","2024","15","9","3155","3164","10.1039/d3sc06912e","powder diffraction","","","Neutron","","","","","","","","","1.27981","0.00628","","","","","","","has coordinates","290045","2024-03-04","02:10:14",""
"1571099","7.1046","0.0002","7.1046","0.0002","10.8768","0.0005","90","","90","","90","","549.01","0.03","293","","293","","0.096","","","","","","synthesised in the lab","5","I -4 m 2","I -4 -2","119","CsCuCo","cesium copper hexacyanocobaltate","","- C5.7 Co0.95 Cs0.857 Cu N5.7 -","- C5.7 Co0.95 Cs0.857 Cu N5.7 -","- C11.4 Co1.9 Cs1.714 Cu2 N11.4 -","2","0.125","","Boström, Hanna L B; Cairns, Andrew B.; Chen, Muzi; Daisenberger, Dominik; Ridley, Christopher J.; Funnell, Nicholas P.","The pressure response of Jahn-Teller-distorted Prussian blue analogues.","Chemical science","2024","15","9","3155","3164","10.1039/d3sc06912e","powder diffraction","","0.3757","synchrotron","","","","","","","","","2.37304","0.14728","","","","","","","has coordinates","290046","2024-03-04","02:10:27",""
"1571100","13.3713","0.0005","6.2669","0.0003","18.6934","0.0006","90","","91.481","0.002","90","","1565.92","0.11","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","7,7-Difluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[3.5]nonan-1-one","","- C15 H23 B F2 O3 -","- C15 H23 B F2 O3 -","- C60 H92 B4 F8 O12 -","4","1","","Prysiazhniuk, Kateryna; Polishchuk, Oleksandr; Shulha, Stanislav; Gudzikevych, Kyrylo; Datsenko, Oleksandr P.; Kubyshkin, Vladimir; Mykhailiuk, Pavel K.","Borylated cyclobutanes <i>via</i> thermal [2 + 2]-cycloaddition.","Chemical science","2024","15","9","3249","3254","10.1039/d3sc06600b","","","0.71073","MoKα","","0.1044","0.0812","","","0.1906","0.2","","","","","","1.159","","","","has coordinates","290048","2024-03-04","02:11:46",""
"1571101","6.1465","0.0009","8.6888","0.0012","14.071","0.002","102.121","0.009","90.881","0.011","90.055","0.01","734.63","0.18","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","(2r,3r)-3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(thiophen-3-yl)cyclobutanone","","- C14 H19 B O3 S -","- C14 H19 B O3 S -","- C28 H38 B2 O6 S2 -","2","1","","Prysiazhniuk, Kateryna; Polishchuk, Oleksandr; Shulha, Stanislav; Gudzikevych, Kyrylo; Datsenko, Oleksandr P.; Kubyshkin, Vladimir; Mykhailiuk, Pavel K.","Borylated cyclobutanes <i>via</i> thermal [2 + 2]-cycloaddition.","Chemical science","2024","15","9","3249","3254","10.1039/d3sc06600b","","","0.71073","MoKα","","0.1543","0.0706","","","0.1609","0.2018","","","","","","0.99","","","","has coordinates,has disorder","290048","2024-03-04","02:11:46",""
"1571102","10.847","0.004","6.213","0.002","11.06","0.003","90","","105.661","0.008","90","","717.7","0.4","273.15","","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-7-oxaspiro[3.5]nonan-1-one","","- C14 H23 B O4 -","- C14 H23 B O4 -","- C28 H46 B2 O8 -","2","1","","Prysiazhniuk, Kateryna; Polishchuk, Oleksandr; Shulha, Stanislav; Gudzikevych, Kyrylo; Datsenko, Oleksandr P.; Kubyshkin, Vladimir; Mykhailiuk, Pavel K.","Borylated cyclobutanes <i>via</i> thermal [2 + 2]-cycloaddition.","Chemical science","2024","15","9","3249","3254","10.1039/d3sc06600b","","","0.71073","MoKα","","0.1045","0.0972","","","0.2727","0.2817","","","","","","1.177","","","","has coordinates","290048","2024-03-04","02:11:47",""
"1571103","9.489","0.002","14.273","0.003","11.565","0.003","90","","107.466","0.015","90","","1494.1","0.6","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[3.3]heptan-1-one","","- C14 H23 B O3 -","- C14 H23 B O3 -","- C56 H92 B4 O12 -","4","1","","Prysiazhniuk, Kateryna; Polishchuk, Oleksandr; Shulha, Stanislav; Gudzikevych, Kyrylo; Datsenko, Oleksandr P.; Kubyshkin, Vladimir; Mykhailiuk, Pavel K.","Borylated cyclobutanes <i>via</i> thermal [2 + 2]-cycloaddition.","Chemical science","2024","15","9","3249","3254","10.1039/d3sc06600b","","","0.71073","MoKα","","0.1679","0.0829","","","0.2118","0.2449","","","","","","0.883","","","","has coordinates","290048","2024-03-04","02:11:47",""
"1571104","6.1342","0.0011","8.6448","0.0014","16.04","0.003","74.401","0.01","86.768","0.016","89.349","0.012","817.9","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","(2r,3r)-2-(4-Bromophenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclobutanone","","- C16 H20 B Br O3 -","- C16 H20 B Br O3 -","- C32 H40 B2 Br2 O6 -","2","1","","Prysiazhniuk, Kateryna; Polishchuk, Oleksandr; Shulha, Stanislav; Gudzikevych, Kyrylo; Datsenko, Oleksandr P.; Kubyshkin, Vladimir; Mykhailiuk, Pavel K.","Borylated cyclobutanes <i>via</i> thermal [2 + 2]-cycloaddition.","Chemical science","2024","15","9","3249","3254","10.1039/d3sc06600b","","","0.71073","MoKα","","0.1216","0.0768","","","0.2001","0.2234","","","","","","1.032","","","","has coordinates","290048","2024-03-04","02:11:47",""
"1571105","6.7371","0.0003","9.7392","0.0005","13.4409","0.0006","102.908","0.003","102.707","0.003","103.17","0.003","802.2","0.07","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[3.6]decan-1-one","","- C16 H27 B O3 -","- C16 H27 B O3 -","- C32 H54 B2 O6 -","2","1","","Prysiazhniuk, Kateryna; Polishchuk, Oleksandr; Shulha, Stanislav; Gudzikevych, Kyrylo; Datsenko, Oleksandr P.; Kubyshkin, Vladimir; Mykhailiuk, Pavel K.","Borylated cyclobutanes <i>via</i> thermal [2 + 2]-cycloaddition.","Chemical science","2024","15","9","3249","3254","10.1039/d3sc06600b","","","0.71073","MoKα","","0.058","0.0431","","","0.0975","0.1055","","","","","","1.035","","","","has coordinates","290048","2024-03-04","02:11:47",""
"1571106","6.9091","0.0009","16.369","0.002","15.729","0.002","90","","92.089","0.01","90","","1777.7","0.4","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[3.3]heptan-1-one","","- C19 H25 B O3 -","- C19 H25 B O3 -","- C76 H100 B4 O12 -","4","1","","Prysiazhniuk, Kateryna; Polishchuk, Oleksandr; Shulha, Stanislav; Gudzikevych, Kyrylo; Datsenko, Oleksandr P.; Kubyshkin, Vladimir; Mykhailiuk, Pavel K.","Borylated cyclobutanes <i>via</i> thermal [2 + 2]-cycloaddition.","Chemical science","2024","15","9","3249","3254","10.1039/d3sc06600b","","","0.71073","MoKα","","0.1627","0.0706","","","0.127","0.1608","","","","","","1.003","","","","has coordinates","290048","2024-03-04","02:11:47",""
"1571107","7.848","0.002","12.529","0.003","12.72","0.003","91.03","0.02","94.94","0.02","89.98","0.02","1245.9","0.5","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","μ-oxo-bis(phthalocyaninatogallium(III)","","- C32 H16 Ga N8 O0.5 -","- C32 H16 Ga N8 O0.5 -","- C64 H32 Ga2 N16 O -","2","1","","Zugenmaier, Peter","Crystal and Molecular Structures of Two Phthalocyanines, Chloro(phthalocyaninato)gallium(III) (ClGaPc) and µ-Oxobis(phthalocyaninato)gallium(III) (PcGaOGaPc)","Crystals","2024","14","2","182","","10.3390/cryst14020182","","","0.71073","MoKα","","0.0447","0.03","","","0.0701","0.0748","","","","","","1.038","","","","has coordinates","290294","2024-03-05","02:00:49",""
"1571108","11.9442","0.0009","15.5313","0.0009","15.9059","0.0012","90","","105.945","0.003","90","","2837.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 B Cu F4 N6 P -","- C28 H25 B Cu F4 N6 P -","- C112 H100 B4 Cu4 F16 N24 P4 -","4","1","","Castro, Jesús; Ferraro, Valentina; Bortoluzzi, Marco","Single-Crystal X-ray Structure Determination of Tris(pyrazol-1-yl)methane Triphenylphosphine Copper(I) Tetrafluoroborate, Hirshfeld Surface Analysis and DFT Calculations","Crystals","2024","14","2","162","","10.3390/cryst14020162","","","0.71073","MoKα","","0.0297","0.0272","","","0.0667","0.068","","","","","","1.062","","","","has coordinates","290295","2024-03-05","02:01:21",""
"1571109","10.918","0.0007","13.802","0.0007","6.521","0.0004","90","","100.154","0.002","90","","967.26","0.1","300","2","300","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Al F5 Fe H14 O7 -","- Al F5 Fe H14 O7 -","- Al4 F20 Fe4 H56 O28 -","4","0.5","","Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo","Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates","Crystals","2024","14","2","197","","10.3390/cryst14020197","","","0.71073","MoKα","","0.0505","0.0424","","","0.0955","0.0997","","","","","","1.085","","","","has coordinates","290296","2024-03-05","02:02:05",""
"1571110","10.8749","0.0016","13.7822","0.0016","6.4894","0.0008","90","","100.397","0.005","90","","956.7","0.2","300","2","300","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Al Co F5 H14 O7 -","- Al Co F5 H14 O7 -","- Al4 Co4 F20 H56 O28 -","4","0.5","","Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo","Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates","Crystals","2024","14","2","197","","10.3390/cryst14020197","","","0.71073","MoKα","","0.0466","0.0434","","","0.1006","0.1031","","","","","","1.111","","","","has coordinates","290296","2024-03-05","02:02:16",""
"1571111","10.788","0.0004","13.6952","0.0004","6.4554","0.0002","90","","100.151","0.0014","90","","938.82","0.05","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Al F5 H14 Ni O7 -","- Al F5 H14 Ni O7 -","- Al4 F20 H56 Ni4 O28 -","4","0.5","","Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo","Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates","Crystals","2024","14","2","197","","10.3390/cryst14020197","","","0.71073","MoKα","","0.0434","0.0407","","","0.0928","0.0945","","","","","","1.116","","","","has coordinates","290296","2024-03-05","02:02:19",""
"1571112","6.4864","0.0009","8.719","0.0011","8.7917","0.0011","103.834","0.003","96.364","0.003","95.4","0.003","476.05","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- Al F5 Fe H14 O7 -","- Al F5 Fe H14 O7 -","- Al2 F10 Fe2 H28 O14 -","2","1","","Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo","Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates","Crystals","2024","14","2","197","","10.3390/cryst14020197","","","0.71073","MoKα","","0.044","0.0425","","","0.1098","0.1133","","","","","","1.129","","","","has coordinates","290296","2024-03-05","02:02:29",""
"1571113","6.4434","0.0005","8.6691","0.0006","8.8031","0.0006","104.019","0.002","96.749","0.002","95.254","0.002","470.08","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- Al Co F5 H14 O7 -","- Al Co F5 H14 O7 -","- Al2 Co2 F10 H28 O14 -","2","1","","Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo","Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates","Crystals","2024","14","2","197","","10.3390/cryst14020197","","","0.71073","MoKα","","0.0364","0.0329","","","0.0714","0.0743","","","","","","1.148","","","","has coordinates","290296","2024-03-05","02:02:30",""
"1571114","6.4022","0.0006","8.5874","0.0007","8.7691","0.0007","104.255","0.003","96.638","0.003","94.816","0.003","460.96","0.07","101","2","101","2","","","","","","","","5","P -1","-P 1","2","","","","- Al F5 H14 Ni O7 -","- Al F5 H14 Ni O7 -","- Al2 F10 H28 Ni2 O14 -","2","1","","Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo","Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates","Crystals","2024","14","2","197","","10.3390/cryst14020197","","","0.71073","MoKα","","0.0548","0.0512","","","0.1377","0.1408","","","","","","1.121","","","","has coordinates","290296","2024-03-05","02:02:30",""
"1571115","5.214","0.0008","7.7014","0.0009","10.4275","0.0016","68.758","0.013","77.177","0.013","71.498","0.012","367.38","0.1","290","2","290","2","","","","","","","","6","P -1","-P 1","2","","","","- C H8 Mg N2 O7 S -","- C H8 Mg N2 O7 S -","- C2 H16 Mg2 N4 O14 S2 -","2","1","","Nikolova, Rositsa; Kostov-Kytin, Vladislav; Petrova, Nadia; Kossev, Krasimir; Titorenkova, Rositsa; Velyanova, Gergana","New Data on Crystal Phases in the System MgSO4–OC(NH2)2–H2O","Crystals","2024","14","3","227","","10.3390/cryst14030227","","x-ray","0.71073","MoKα","","0.0762","0.0673","","","0.1474","0.1511","","","","","","1.239","","","","has coordinates","290297","2024-03-05","02:02:50",""
"1571116","5.2452","0.0011","7.708","0.0014","10.23","0.002","90","","94.291","0.008","90","","412.44","0.14","290","2","290","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C H10 Mg N2 O8 S -","- C H10 Mg N2 O8 S -","- C2 H20 Mg2 N4 O16 S2 -","2","1","","Nikolova, Rositsa; Kostov-Kytin, Vladislav; Petrova, Nadia; Kossev, Krasimir; Titorenkova, Rositsa; Velyanova, Gergana","New Data on Crystal Phases in the System MgSO4–OC(NH2)2–H2O","Crystals","2024","14","3","227","","10.3390/cryst14030227","","","0.71073","MoKα","","0.0379","0.0371","","","0.0994","0.1003","","","","","","0.914","","","","has coordinates","290298","2024-03-05","02:03:01",""
"1571117","10.6791","0.0003","12.5175","0.0004","13.817","0.0004","81.202","0.002","84.247","0.002","82.229","0.002","1802.52","0.09","149.99","0.1","149.99","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H32 F6 Ir N4 O2 P -","- C34 H32 F6 Ir N4 O2 P -","- C68 H64 F12 Ir2 N8 O4 P2 -","2","1","","Fan, Jing-Yan; Yao, Su-Yang; Ye, Bao-Hui","In Situ Synthesis of Hexadentate Cyclometalated Ir(III) Complexes as Photocatalysts for the Oxidation of Sulfides into Sulfoxides in Water","Inorganics","2024","12","3","73","","10.3390/inorganics12030073","","","1.54184","CuKα","","0.0362","0.0329","","","0.0783","0.0807","","","","","","1.037","","","","has coordinates","290299","2024-03-05","04:53:08",""
"1571118","10.5816","0.0001","18.5399","0.0002","17.3118","0.0002","90","","90.374","0.001","90","","3396.19","0.06","149.98","0.1","149.98","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 F6 Ir N4 O2 P -","- C34 H28 F6 Ir N4 O2 P -","- C136 H112 F24 Ir4 N16 O8 P4 -","4","1","","Fan, Jing-Yan; Yao, Su-Yang; Ye, Bao-Hui","In Situ Synthesis of Hexadentate Cyclometalated Ir(III) Complexes as Photocatalysts for the Oxidation of Sulfides into Sulfoxides in Water","Inorganics","2024","12","3","73","","10.3390/inorganics12030073","","x-ray","1.54184","CuKα","","0.0533","0.0392","","","0.0958","0.1009","","","","","","1.062","","","","has coordinates","290300","2024-03-05","04:53:33",""
"1571119","8.3615","0.0003","10.698","0.0005","19.256","0.0007","76.136","0.004","84.487","0.003","77.048","0.003","1628.11","0.12","149.98","0.1","149.98","0.1","","","","","","","","6","P -1","-P 1","2","","F-yea","","- C32 H26 F8 Ir N4 P -","- C32 H26 F8 Ir N4 P -","- C64 H52 F16 Ir2 N8 P2 -","2","1","","Fan, Jing-Yan; Yao, Su-Yang; Ye, Bao-Hui","In Situ Synthesis of Hexadentate Cyclometalated Ir(III) Complexes as Photocatalysts for the Oxidation of Sulfides into Sulfoxides in Water","Inorganics","2024","12","3","73","","10.3390/inorganics12030073","","x-ray","1.54184","CuKα","","0.0395","0.0365","","","0.0902","0.093","","","","","","1.055","","","","has coordinates","290301","2024-03-05","04:53:46",""
"1571120","30.7102","0.0006","18.9149","0.0004","15.7234","0.0002","90","","90.301","0.001","90","","9133.3","0.3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C202 H222 Cl12 Fe8 Ir8 N8 O -","- C202 H222 Cl12 Fe8 Ir8 N8 O -","- C404 H444 Cl24 Fe16 Ir16 N16 O2 -","2","0.25","","Weigand, Stefan; Sünkel, Karlheinz","Chlorido-pentamethylcyclopentadienyl-[2-(2-pyridyl-кN)-ferrocenyl-кC]-iridium(III)","Molbank","2024","2024","1","M1770","","10.3390/M1770","","","0.71069","MoKα","","0.0434","0.0303","","","0.0734","0.0811","","","","","","1.029","","","","has coordinates","290302","2024-03-05","12:05:15",""
"1571121","10.4364","0.0003","13.7629","0.0004","21.5413","0.0005","90","","98.343","0.003","90","","3061.34","0.15","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H35 Cu F6 N9 P3 -","- C27 H35 Cu F6 N9 P3 -","- C108 H140 Cu4 F24 N36 P12 -","4","1","","Smoleński, Piotr; Śliwińska-Hill, Urszula; Kwiecień, Anna; Wolińska, Joanna; Poradowski, Dominik","Design, Synthesis, and Anti-Cancer Evaluation of Novel Water-Soluble Copper(I) Complexes Bearing Terpyridine and PTA Ligands","Molecules","2024","29","5","945","","10.3390/molecules29050945","","x-ray","1.54184","CuKα","","0.0359","0.0331","","","0.0861","0.0878","","","","","","1.058","","","","has coordinates","290303","2024-03-05","13:41:32",""
"1571122","12.249","0.0004","7.5386","0.0003","12.9332","0.0005","90","","102.563","0.001","90","","1165.66","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DMI-57","","","- C14 H10 O2 Se -","- C14 H10 O2 Se -","- C56 H40 O8 Se4 -","4","1","","Dumitraș, Darius; Gal, Emese; Silvestru, Cristian; Pop, Alexandra","Metal Complexes Containing Homoleptic Diorganoselenium(II) Ligands: Synthesis, Characterization and Investigation of Optical Properties.","Molecules (Basel, Switzerland)","2024","29","4","792","","10.3390/molecules29040792","","","0.71073","MoKα","","0.0379","0.0286","","","0.0663","0.0709","","","","","","1.044","","","","has coordinates","290304","2024-03-05","13:41:54",""
"1571123","13.7518","0.0006","19.5095","0.001","4.7253","0.0003","90","","90","","90","","1267.75","0.12","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C32 H20 N2 O4 Se -","- C32 H20 N2 O4 Se -","- C64 H40 N4 O8 Se2 -","2","0.5","","Dumitraș, Darius; Gal, Emese; Silvestru, Cristian; Pop, Alexandra","Metal Complexes Containing Homoleptic Diorganoselenium(II) Ligands: Synthesis, Characterization and Investigation of Optical Properties.","Molecules (Basel, Switzerland)","2024","29","4","792","","10.3390/molecules29040792","","","0.71073","MoKα","","0.0451","0.0325","","","0.0558","0.0598","","","","","","1.043","","","","has coordinates","290305","2024-03-05","13:42:08",""
"1571124","14.54","0.05","15.25","0.05","15.42","0.05","114.04","0.04","99.38","0.04","112.59","0.04","2668","15","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H64 Cl4 O10 -","- C56 H64 Cl4 O10 -","- C112 H128 Cl8 O20 -","2","1","","Li, Zunhua; Tan, Yingzi; Ding, Manhua; Tang, Linli; Zeng, Fei","Keto-Adamantane-Based Macrocycle Crystalline Supramolecular Assemblies Showing Selective Vapochromism to Tetrahydrofuran.","Molecules (Basel, Switzerland)","2024","29","3","719","","10.3390/molecules29030719","","","0.71073","MoKα","","0.2078","0.0908","","","0.24","0.3195","","","","","","0.951","","","","has coordinates","290306","2024-03-05","13:42:27",""
"1571125","18.227","0.005","18.218","0.005","19.01","0.005","90","","111.022","0.004","90","","5892","3","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C126 H124 Cl8 N4 O24 -","- C126 H124 Cl8 N4 O24 -","- C252 H248 Cl16 N8 O48 -","2","0.25","","Li, Zunhua; Tan, Yingzi; Ding, Manhua; Tang, Linli; Zeng, Fei","Keto-Adamantane-Based Macrocycle Crystalline Supramolecular Assemblies Showing Selective Vapochromism to Tetrahydrofuran.","Molecules (Basel, Switzerland)","2024","29","3","719","","10.3390/molecules29030719","","","0.71073","MoKα","","0.1149","0.0801","","","0.2302","0.2671","","","","","","1.041","","","","has coordinates,has disorder","290307","2024-03-05","13:42:52",""
"1571126","21.174","0.003","21.174","0.003","13.5099","0.0019","90","","90","","120","","5245.5","1.3","296.15","","296.15","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Mac","","- C54 H64 O8 -","- C54 H64 O8 -","- C162 H192 O24 -","3","0.5","","Li, Zunhua; Tan, Yingzi; Ding, Manhua; Tang, Linli; Zeng, Fei","Keto-Adamantane-Based Macrocycle Crystalline Supramolecular Assemblies Showing Selective Vapochromism to Tetrahydrofuran.","Molecules (Basel, Switzerland)","2024","29","3","719","","10.3390/molecules29030719","","","0.71073","MoKα","","0.1165","0.059","","","0.1418","0.167","","","","","","0.974","","","","has coordinates","290308","2024-03-05","13:43:07",""
"1571127","19.5688","0.0009","4.0772","0.0003","15.9523","0.0008","90","","104.783","0.005","90","","1230.64","0.13","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","1.54184","CuKα","","0.0695","0.0369","","","0.0763","0.1108","","","","","","1.0846","","","","has coordinates","290321","2024-03-05","20:38:47",""
"1571128","19.55","0.005","4.0396","0.0003","15.854","0.005","90","","104.96","0.04","90","","1209.6","0.5","298","2","298","2","","","140000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.227","0.0802","","","0.1594","0.2245","","","","","","0.997","","","","has coordinates","290321","2024-03-05","20:38:49",""
"1571129","19.561","0.008","4.001","0.0005","15.776","0.009","90","","105.08","0.06","90","","1192.2","0.9","298","2","298","2","","","250000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.2939","0.0655","","","0.0931","0.1488","","","","","","1.027","","","","has coordinates","290321","2024-03-05","20:38:49",""
"1571130","19.582","0.007","3.9289","0.0004","15.625","0.006","90","","105.3","0.05","90","","1159.5","0.7","298","2","298","2","","","480000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.1837","0.0614","","","0.128","0.1744","","","","","","1.007","","","","has coordinates","290321","2024-03-05","20:38:49",""
"1571131","19.581","0.006","3.9351","0.0005","15.64","0.007","90","","105.31","0.04","90","","1162.3","0.7","298","2","298","2","","","660000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.3008","0.0891","","","0.1829","0.2754","","","","","","0.97","","","","has coordinates","290321","2024-03-05","20:38:49",""
"1571132","19.604","0.005","3.8747","0.0003","15.531","0.004","90","","105.37","0.03","90","","1137.5","0.5","298","2","298","2","","","710000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.1674","0.0554","","","0.1101","0.1502","","","","","","1.078","","","","has coordinates","290321","2024-03-05","20:38:49",""
"1571133","19.612","0.005","3.8444","0.0003","15.462","0.004","90","","105.61","0.03","90","","1122.8","0.4","298","2","298","2","","","870000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.1777","0.0639","","","0.1282","0.177","","","","","","1.078","","","","has coordinates","290321","2024-03-05","20:38:49",""
"1571134","19.598","0.009","3.8374","0.0005","15.442","0.009","90","","105.76","0.07","90","","1117.7","0.9","298","2","298","2","","","1030000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.2159","0.0739","","","0.1011","0.1349","","","","","","1.031","","","","has coordinates","290321","2024-03-05","20:38:49",""
"1571135","19.631","0.005","3.7932","0.0003","15.352","0.004","90","","105.95","0.03","90","","1099.2","0.4","298","2","298","2","","","1320000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.2055","0.0616","","","0.1014","0.1384","","","","","","1.053","","","","has coordinates,has disorder","290321","2024-03-05","20:38:49",""
"1571136","19.635","0.003","3.7664","0.0002","15.296","0.003","90","","106.03","0.02","90","","1087.2","0.3","298","2","298","2","","","1540000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.162","0.0632","","","0.0851","0.1126","","","","","","1.059","","","","has coordinates,has disorder","290321","2024-03-05","20:38:50",""
"1571137","19.647","0.004","3.7198","0.0003","15.191","0.004","90","","106.21","0.03","90","","1066.1","0.4","298","2","298","2","","","1740000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.1554","0.0699","","","0.1377","0.1798","","","","","","1.033","","","","has coordinates,has disorder","290321","2024-03-05","20:38:50",""
"1571138","19.647","0.006","3.7375","0.0004","15.222","0.006","90","","106.12","0.04","90","","1073.8","0.6","298","2","298","2","","","1830000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.2104","0.0665","","","0.1012","0.1544","","","","","","1.047","","","","has coordinates,has disorder","290321","2024-03-05","20:38:50",""
"1571139","19.662","0.009","3.7264","0.0006","15.211","0.01","90","","106.16","0.07","90","","1070.5","1","298","2","298","2","","","1950000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.2318","0.0765","","","0.1312","0.1944","","","","","","1.032","","","","has coordinates,has disorder","290321","2024-03-05","20:38:50",""
"1571140","19.648","0.017","3.7139","0.0011","15.171","0.017","90","","106.08","0.12","90","","1063.7","1.7","298","2","298","2","","","2100000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.2259","0.0785","","","0.1641","0.2363","","","","","","0.974","","","","has coordinates,has disorder","290321","2024-03-05","20:38:50",""
"1571141","19.67","0.005","3.6881","0.0003","15.112","0.005","90","","106.48","0.04","90","","1051.3","0.5","298","2","298","2","","","2190000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.245","0.0925","","","0.1432","0.2146","","","","","","1.095","","","","has coordinates,has disorder","290321","2024-03-05","20:38:50",""
"1571142","19.687","0.013","3.6609","0.0007","15.043","0.013","90","","106.48","0.09","90","","1039.6","1.2","298","2","298","2","","","2470000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.2347","0.0735","","","0.0751","0.111","","","","","","1.008","","","","has coordinates,has disorder","290321","2024-03-05","20:38:50",""
"1571143","8.412","0.004","7.9665","0.0011","15.576","0.009","90","","103.33","0.06","90","","1015.7","0.8","298","5","298","5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-bipyridine hydrogen malonate","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","1","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.1954","0.0617","","","0.1093","0.1621","","","","","","1.023","","","","has coordinates","290321","2024-03-05","20:38:50",""
"1571144","8.438","0.006","7.9032","0.0014","15.425","0.01","90","","103.18","0.08","90","","1001.6","1","298","2","298","2","","","3040000","20000","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-bipyridine hydrogen malonate","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","1","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.2782","0.064","","","0.0942","0.162","","","","","","0.911","","","","has coordinates","290321","2024-03-05","20:38:50",""
"1571145","8.4","0.01","7.886","0.003","15.389","0.019","90","","103.93","0.14","90","","989.4","1.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-bipyridine malonate","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","1","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.2481","0.095","","","0.1442","0.2162","","","","","","1.017","","","","has coordinates","290321","2024-03-05","20:38:50",""
"1571146","11.8607","0.0003","11.8607","0.0003","39.8339","0.0019","90","","90","","90","","5603.7","0.3","130","","130","","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C48 H40 F20 Mn O4 P2 Te4 -","- C48 H40 F20 Mn O4 P2 Te4 -","- C192 H160 F80 Mn4 O16 P8 Te16 -","4","0.25","","Pérez-Bitrián, Alberto; Munárriz, Julen; Krause, Konstantin B.; Schlögl, Johanna; Hoffmann, Kurt F.; Sturm, Johanna S.; Hadi, Amiera N.; Teutloff, Christian; Wiesner, Anja; Limberg, Christian; Riedel, Sebastian","Questing for homoleptic mononuclear manganese complexes with monodentate O-donor ligands.","Chemical science","2024","15","15","5564","5572","10.1039/d4sc00543k","","","0.71073","MoKα","","0.0393","0.0299","","","0.0644","0.0712","","","","","","1.133","","","","has coordinates","291585","2024-05-05","01:59:47",""
"1571147","4.9523","0.0002","9.0139","0.0004","14.5673","0.0007","100.404","0.002","92.408","0.002","94.706","0.002","636.36","0.05","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 Cl N2 O -","- C14 H17 Cl N2 O -","- C28 H34 Cl2 N4 O2 -","2","1","","Li, Jiaming; Ni, Hao; Zhang, Weiwei; Lai, Zhencheng; Jin, Huimin; Zeng, Linwei; Cui, Sunliang","A multicomponent reaction for modular assembly of indole-fused heterocycles","Chemical Science","2024","15","14","5211","5217","10.1039/D4SC00522H","","","0.71073","MoKα","","0.0368","0.0341","","","0.0874","0.09","","","","","","1.046","","","","has coordinates","290833","2024-04-04","22:40:24",""
"1571148","5.0074","0.0004","9.0205","0.0007","15.1568","0.0013","80.365","0.003","89.851","0.003","84.042","0.003","671.24","0.09","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 Cl N2 S -","- C14 H17 Cl N2 S -","- C28 H34 Cl2 N4 S2 -","2","1","","Li, Jiaming; Ni, Hao; Zhang, Weiwei; Lai, Zhencheng; Jin, Huimin; Zeng, Linwei; Cui, Sunliang","A multicomponent reaction for modular assembly of indole-fused heterocycles","Chemical Science","2024","15","14","5211","5217","10.1039/D4SC00522H","","","1.34139","GaKα","","0.0539","0.0491","","","0.125","0.1273","","","","","","1.14","","","","has coordinates","290833","2024-04-04","22:40:24",""
"1571149","11.4362","0.0006","11.6969","0.0006","10.4292","0.0006","90","","96.36","0.002","90","","1386.51","0.13","170","2","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Br Cl N2 O -","- C14 H15 Br Cl N2 O -","- C56 H60 Br4 Cl4 N8 O4 -","4","1","","Li, Jiaming; Ni, Hao; Zhang, Weiwei; Lai, Zhencheng; Jin, Huimin; Zeng, Linwei; Cui, Sunliang","A multicomponent reaction for modular assembly of indole-fused heterocycles","Chemical Science","2024","15","14","5211","5217","10.1039/D4SC00522H","","","0.71073","MoKα","","0.0302","0.0281","","","0.0707","0.0722","","","","","","1.027","","","","has coordinates","290833","2024-04-04","22:40:24",""
"1571150","8.3944","0.0008","9.3978","0.0008","20.419","0.002","90","","90","","90","","1610.8","0.3","170","2","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N2 O -","- C20 H22 N2 O -","- C80 H88 N8 O4 -","4","1","","Li, Jiaming; Ni, Hao; Zhang, Weiwei; Lai, Zhencheng; Jin, Huimin; Zeng, Linwei; Cui, Sunliang","A multicomponent reaction for modular assembly of indole-fused heterocycles","Chemical Science","2024","15","14","5211","5217","10.1039/D4SC00522H","","","1.54178","CuKα","","0.0432","0.0431","","","0.1051","0.1052","","","","","","1.187","","","","has coordinates","290833","2024-04-04","22:40:24",""
"1571151","14.3914","0.0001","14.9401","0.0001","33.6959","0.0002","90","","91.185","0.001","90","","7243.37","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","hydroquinone_PDI_macrocycle","","- C66.83 H62.68 Cl2.49 N8 O6 -","- C66.83 H62.68 Cl2.49 N8 O6 -","- C267.32 H250.72 Cl9.96 N32 O24 -","4","1","","Yeung, Angus; Zwijnenburg, Martijn A.; Orton, Georgia R. F.; Robertson, Jennifer H.; Barendt, Timothy A.","Investigating the diastereoselective synthesis of a macrocycle under Curtin-Hammett control.","Chemical science","2024","15","15","5516","5524","10.1039/d3sc05715a","","x-ray","1.54184","CuKα","","0.0882","0.0829","","","0.2357","0.2406","","","","","","1.014","","","","has coordinates,has disorder","291586","2024-05-05","02:01:03",""
"1571152","10.53","0.002","10.929","0.002","12.931","0.004","90","","96.525","0.004","90","","1478.5","0.6","200","2","200","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","2a in manuscript","","","- C26 H42 Cl2 N2 Si2 -","- C26 H42 Cl2 N2 Si2 -","- C52 H84 Cl4 N4 Si4 -","2","0.25","","Hüßler, Christopher; Dietl, Martin C.; Kahle, Justin; Lopes, Eric F.; Kawamura, Miku; Krämer, Petra; Rominger, Frank; Rudolph, Matthias; Hachiya, Iwao; Hashmi, A Stephen K","Synthesis and structural properties of <i>para</i>-diselenopyrazines.","Chemical communications (Cambridge, England)","2024","60","28","3786","3789","10.1039/d4cc00460d","","","0.71073","MoKα","","0.1221","0.0662","","","0.1013","0.1195","","","","","","1.028","","","","has coordinates","290805","2024-04-04","22:26:49",""
"1571153","8.833","0.011","4.114","0.005","14.134","0.017","90","","106.095","0.014","90","","493.5","1","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2c in manuscript","","","- C10 H6 Cl2 N2 -","- C10 H6 Cl2 N2 -","- C20 H12 Cl4 N4 -","2","0.5","","Hüßler, Christopher; Dietl, Martin C.; Kahle, Justin; Lopes, Eric F.; Kawamura, Miku; Krämer, Petra; Rominger, Frank; Rudolph, Matthias; Hachiya, Iwao; Hashmi, A Stephen K","Synthesis and structural properties of <i>para</i>-diselenopyrazines.","Chemical communications (Cambridge, England)","2024","60","28","3786","3789","10.1039/d4cc00460d","","","0.71073","MoKα","","0.1259","0.077","","","0.1903","0.2141","","","","","","1.038","","","","has coordinates","290805","2024-04-04","22:26:50",""
"1571154","4.1984","0.0007","8.1335","0.0012","12.0157","0.0018","90","","96.9877","0.0019","90","","407.26","0.11","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3b in manuscript","","","- C8 H4 N2 Se2 -","- C8 H4 N2 Se2 -","- C16 H8 N4 Se4 -","2","0.5","","Hüßler, Christopher; Dietl, Martin C.; Kahle, Justin; Lopes, Eric F.; Kawamura, Miku; Krämer, Petra; Rominger, Frank; Rudolph, Matthias; Hachiya, Iwao; Hashmi, A Stephen K","Synthesis and structural properties of <i>para</i>-diselenopyrazines.","Chemical communications (Cambridge, England)","2024","60","28","3786","3789","10.1039/d4cc00460d","","","0.71073","MoKα","","0.0302","0.0231","","","0.0559","0.0583","","","","","","1.106","","","","has coordinates","290805","2024-04-04","22:26:50",""
"1571155","14.408","0.0014","16.0163","0.0016","12.9816","0.0013","90","","97.694","0.002","90","","2968.7","0.5","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3a in manuscript","","","- C26 H44 N2 Se2 Si2 -","- C26 H44 N2 Se2 Si2 -","- C104 H176 N8 Se8 Si8 -","4","1","","Hüßler, Christopher; Dietl, Martin C.; Kahle, Justin; Lopes, Eric F.; Kawamura, Miku; Krämer, Petra; Rominger, Frank; Rudolph, Matthias; Hachiya, Iwao; Hashmi, A Stephen K","Synthesis and structural properties of <i>para</i>-diselenopyrazines.","Chemical communications (Cambridge, England)","2024","60","28","3786","3789","10.1039/d4cc00460d","","","0.71073","MoKα","","0.1335","0.0499","","","0.0794","0.0992","","","","","","0.993","","","","has coordinates","290805","2024-04-04","22:26:50",""
"1571156","4.7908","0.0006","9.1049","0.0013","15.3497","0.0018","75.701","0.004","89.134","0.003","80.513","0.003","639.7","0.14","200","2","200","2","","","","","","","","4","P -1","-P 1","2","3f in manuscript","","","- C30 H32 N2 Se2 -","- C30 H32 N2 Se2 -","- C30 H32 N2 Se2 -","1","0.5","","Hüßler, Christopher; Dietl, Martin C.; Kahle, Justin; Lopes, Eric F.; Kawamura, Miku; Krämer, Petra; Rominger, Frank; Rudolph, Matthias; Hachiya, Iwao; Hashmi, A Stephen K","Synthesis and structural properties of <i>para</i>-diselenopyrazines.","Chemical communications (Cambridge, England)","2024","60","28","3786","3789","10.1039/d4cc00460d","","","0.71073","MoKα","","0.0849","0.0474","","","0.0724","0.0822","","","","","","1.009","","","","has coordinates","290805","2024-04-04","22:26:50",""
"1571157","12.5967","0.0002","12.8747","0.0002","15.6198","0.0003","72.566","0.002","69.811","0.001","75.602","0.001","2238.3","0.07","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C102 H102 N6 O24 -","6","3","","Biswas, Soumen; Hughes, William B.; De Angelis, Luca; Haug, Graham C.; Trevino, Ramon; Fremin, Seth O.; Arman, Hadi D.; Larionov, Oleg V.; Doyle, Michael P.","The “cesium effect” magnified: exceptional chemoselectivity in cesium ion mediated nucleophilic reactions","Chemical Science","2024","15","14","5277","5283","10.1039/D4SC00316K","","x-ray","1.54184","CuKα","","0.0565","0.0512","","","0.1191","0.1228","","","","","","1.059","","","","has coordinates,has disorder","290835","2024-04-04","22:41:49",""
"1571158","13.83436","0.00015","11.10289","0.0001","20.5729","0.0002","90","","109.093","0.0012","90","","2986.18","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N2 O5 -","- C29 H26 N2 O5 -","- C116 H104 N8 O20 -","4","1","","Biswas, Soumen; Hughes, William B.; De Angelis, Luca; Haug, Graham C.; Trevino, Ramon; Fremin, Seth O.; Arman, Hadi D.; Larionov, Oleg V.; Doyle, Michael P.","The “cesium effect” magnified: exceptional chemoselectivity in cesium ion mediated nucleophilic reactions","Chemical Science","2024","15","14","5277","5283","10.1039/D4SC00316K","","x-ray","1.54184","CuKα","","0.0475","0.0438","","","0.1209","0.1244","","","","","","1.011","","","","has coordinates,has disorder","290835","2024-04-04","22:41:50",""
"1571159","15.6843","0.0002","6.33089","0.00007","15.89366","0.00018","90","","114.758","0.0015","90","","1433.11","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N O5 -","- C16 H15 N O5 -","- C64 H60 N4 O20 -","4","1","","Biswas, Soumen; Hughes, William B.; De Angelis, Luca; Haug, Graham C.; Trevino, Ramon; Fremin, Seth O.; Arman, Hadi D.; Larionov, Oleg V.; Doyle, Michael P.","The “cesium effect” magnified: exceptional chemoselectivity in cesium ion mediated nucleophilic reactions","Chemical Science","2024","15","14","5277","5283","10.1039/D4SC00316K","","x-ray","1.54184","CuKα","","0.038","0.0351","","","0.0915","0.0943","","","","","","1.056","","","","has coordinates","290835","2024-04-04","22:41:50",""
"1571160","14.9481","0.0016","14.9481","0.0016","7.3954","0.0011","90","","90","","120","","1431.1","0.3","99.99","","99.99","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Ba3 Cl P5 -","- Ba3 Cl P4.9995 -","- Ba18 Cl6 P29.997 -","6","0.166667","","Ishtiyak, Mohd; Samarakoon, S M Gayomi K; Kandabadage Don, Thimira; Watts, Spencer R.; Baranets, Sviatoslav","Novel ternary Zintl phosphide halides Ba<sub>3</sub>P<sub>5</sub>X (X = Cl, Br) with 1D helical phosphorus chains: synthesis, crystal and electronic structure.","Nanoscale","2024","16","16","7916","7925","10.1039/d3nr06492a","","","0.71073","MoKα","","0.0299","0.0246","","","0.04","0.0408","","","","","","1.211","","","","has coordinates","291663","2024-05-05","03:40:56",""
"1571161","15.045","0.004","15.045","0.004","7.537","0.003","90","","90","","120","","1477.5","0.8","99.99","","99.99","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Ba3 Br P5 -","- Ba3 Br P4.9995 -","- Ba18 Br6 P29.997 -","6","0.166667","","Ishtiyak, Mohd; Samarakoon, S M Gayomi K; Kandabadage Don, Thimira; Watts, Spencer R.; Baranets, Sviatoslav","Novel ternary Zintl phosphide halides Ba<sub>3</sub>P<sub>5</sub>X (X = Cl, Br) with 1D helical phosphorus chains: synthesis, crystal and electronic structure.","Nanoscale","2024","16","16","7916","7925","10.1039/d3nr06492a","","","0.71073","MoKα","","0.0659","0.0479","","","0.1056","0.1114","","","","","","1.086","","","","has coordinates","291663","2024-05-05","03:41:02",""
"1571162","21.1314","0.0012","20.6403","0.0011","25.9515","0.0014","90","","110.45","0.002","90","","10605.6","1","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C51 H116 Ag11 Cl4 F3 O19 P8 S17 -","- C51 H116 Ag11 Cl4 F3 O19 P8 S17 -","- C204 H464 Ag44 Cl16 F12 O76 P32 S68 -","4","1","","Yen, Wei-Jung; Liao, Jian-Hong; Chiu, Tzu-Hao; Chen, Jie-Ying; Chen, Yuan Jang; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Doping effect on a two-electron silver nanocluster.","Nanoscale","2024","16","14","7011","7018","10.1039/d4nr00326h","","","0.71073","MoKα","","0.0576","0.0426","","","0.1023","0.1128","","","","","","1.053","","","","has coordinates,has disorder","291009","2024-04-04","23:59:30",""
"1571163","20.052","0.0008","20.1859","0.0008","24.629","0.0009","94.177","0.002","107.105","0.002","103.932","0.002","9136.2","0.6","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C129.23 H188.77 Cl4.69 Cu29 O3 P4 S14.31 -","- C128.388 H186.872 Cl4.692 Cu29 O2.3667 P4 S14.0969 -","- C256.775 H373.744 Cl9.384 Cu58 O4.7334 P8 S28.1938 -","2","1","","Ghosh, Atanu; Sagadevan, Arunachalam; Murugesan, Kathiravan; Nastase, Stefan Adrian F.; Maity, Bholanath; Bodiuzzaman, Mohammad; Shkurenko, Aleksander; Hedhili, Mohamed Nejib; Yin, Jun; Mohammed, Omar F.; Eddaoudi, Mohamed; Cavallo, Luigi; Rueping, Magnus; Bakr, Osman M.","Multiple neighboring active sites of an atomically precise copper nanocluster catalyst for efficient bond-forming reactions.","Materials horizons","2024","11","10","2494","2505","10.1039/d4mh00098f","","","1.54178","CuKα","","0.064","0.0551","","","0.1582","0.17","","","","","","1.049","","","","has coordinates,has disorder","293297","2024-07-05","18:12:32",""
"1571166","9.955","0.0003","10.006","0.0003","11.332","0.0004","89.415","0.0014","78.013","0.0014","78.901","0.0014","1082.99","0.06","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","4-Fluoro-2-(phenylamino)benzoic acid","","- C13 H10 F N O2 -","- C13 H10 F N O2 -","- C52 H40 F4 N4 O8 -","4","2","HB4457","Li, Jingxi; Long, Sihui","4-Fluoro-2-(phenylamino)benzoic acid","IUCrData","2024","9","3","","","10.1107/S2414314624001974","","","0.71073","MoKα","","0.1177","0.0503","","","0.1068","0.1314","","","","","","0.944","","","","has coordinates","290376","2024-03-07","03:09:39",""
"1571167","5.3048","0.0003","5.3048","0.0003","11.4999","0.0009","90","","90","","90","","323.62","0.04","293","2","293","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","Neodymium(III) <i>ortho</i>-oxidotungstate(VI)","","- Nd0.67 O4 W -","- Nd0.6667 O4 W -","- Nd2.6668 O16 W4 -","4","0.25","WM4207","Knies, Benjamin; Hartenbach, Ingo","Crystal structure of defect scheelite-type Nd2/3[WO4]","IUCrData","2024","9","3","","","10.1107/S2414314624001755","","","0.71073","MoKα","","0.0331","0.0224","","","0.0476","0.0499","","","","","","1.008","","","","has coordinates","290377","2024-03-07","03:10:09",""
"1571168","9.1051","0.0013","10.665","0.002","16.688","0.003","90","","102.16","0.02","90","","1584.1","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>erythro</i>-{1-Bromo-1-[(1-phenylethyl)sulfonyl]ethyl}benzene","","- C16 H17 Br O2 S -","- C16 H17 Br O2 S -","- C64 H68 Br4 O8 S4 -","4","1","WM4209","Corfield, Peter W. R.","erythro-{1-Bromo-1-[(1-phenylethyl)sulfonyl]ethyl}benzene","IUCrData","2024","9","3","","","10.1107/S2414314624001895","","","1.5405","CuKα","","0.0505","0.0375","","","0.0948","0.1025","","","","","","1.033","","","","has coordinates","290378","2024-03-07","03:10:29",""
"1571169","11.5962","0.0004","18.4606","0.0005","7.8973","0.0002","90","","106.532","0.007","90","","1620.71","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[<i>S</i>-octyl 3-(2-methylpropylidene)dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>]nickel(II)","","- C26 H50 N4 Ni S4 -","- C26 H50 N4 Ni S4 -","- C52 H100 N8 Ni2 S8 -","2","0.5","WM4208","Khan, Sultana Shakila; Howlader, Md. Belayet Hossain; Sheikh, Md. Chanmiya; Miyatake, Ryuta; Zangrando, Ennio","Bis[S-octyl 3-(2-methylpropylidene)dithiocarbazato-κ2 N 3,S]nickel(II)","IUCrData","2024","9","3","","","10.1107/S241431462400186X","","","0.71075","MoKα","","0.0549","0.0359","","","0.0672","0.0723","","","","","","1.041","","","","has coordinates","290379","2024-03-07","03:10:43",""
"1571170","15.2054","0.0003","3.8818","0.0001","19.8109","0.0004","90","","107.039","0.001","90","","1118","0.04","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Bromo-2-(phenylamino)benzoic acid","","- C13 H10 Br N O2 -","- C13 H10 Br N O2 -","- C52 H40 Br4 N4 O8 -","4","1","HB4456","Kang, Liping; Long, Sihui","5-Bromo-2-(phenylamino)benzoic acid","IUCrData","2024","9","3","","","10.1107/S2414314624001986","","","0.71073","MoKα","","0.0472","0.0378","","","0.1163","0.1304","","","","","","1.207","","","","has coordinates","290380","2024-03-07","03:10:56",""
"1571171","8.3125","0.0001","18.9072","0.0004","15.7906","0.0003","90","","90.617","0.002","90","","2481.6","0.08","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>cis</i>,<i>cis</i>,<i>cis</i>-Dichloridobis(<i>N</i>^4^,<i>N</i>^4^-dimethylpyridin-4-amine-κ<i>N</i>^1^)bis(dimethyl sulfoxide-κ<i>S</i>)ruthenium(II)","","- C18 H32 Cl2 N4 O2 Ru S2 -","- C18 H32 Cl2 N4 O2 Ru S2 -","- C72 H128 Cl8 N16 O8 Ru4 S8 -","4","1","BH4082","Park, Esther H.; Ortiz, Sarah M.; Liang, Todd K.; Smucker, Bradley W.","cis,cis,cis-Dichloridobis(N 4,N 4-dimethylpyridin-4-amine-κN 1)bis(dimethyl sulfoxide-κS)ruthenium(II)","IUCrData","2024","9","3","","","10.1107/S2414314624001913","","","0.71073","MoKα","","0.0623","0.0484","","","0.135","0.1481","","","","","","1.085","","","","has coordinates,has disorder","290381","2024-03-07","03:11:13",""
"1571172","10.0902","0.001","20.276","0.002","14.0678","0.0015","90","","104.978","0.003","90","","2780.3","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H27 O2 P -","- C38 H27 O2 P -","- C152 H108 O8 P4 -","4","1","","Li, Yang; Yan, Xiao-Long; Hu, Li-Yan; Luo, Kai; Zhu, Jie; Wu, Lei","Pd-catalyzed divergent regioselective annulation of phosphinyl allenes accessing polyarylfurans and 2<i>H</i>-chromenes.","Chemical communications (Cambridge, England)","2024","60","28","3814","3817","10.1039/d3cc05974j","","","0.71073","MoKα","","0.077","0.0484","","","0.1093","0.1226","","","","","","1.026","","","","has coordinates","290796","2024-04-04","22:24:45",""
"1571173","8.9061","0.0016","10.4242","0.0018","14.312","0.003","74.291","0.005","76.463","0.005","86.731","0.005","1243.5","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H27 O4 P -","- C30 H27 O4 P -","- C60 H54 O8 P2 -","2","1","","Li, Yang; Yan, Xiao-Long; Hu, Li-Yan; Luo, Kai; Zhu, Jie; Wu, Lei","Pd-catalyzed divergent regioselective annulation of phosphinyl allenes accessing polyarylfurans and 2<i>H</i>-chromenes.","Chemical communications (Cambridge, England)","2024","60","28","3814","3817","10.1039/d3cc05974j","","","0.71073","MoKα","","0.1135","0.0708","","","0.1859","0.2153","","","","","","1.033","","","","has coordinates,has disorder","290796","2024-04-04","22:24:46",""
"1571174","8.7621","0.0008","10.6742","0.0011","16.727","0.0018","80.613","0.003","82.954","0.003","70.163","0.003","1448.1","0.3","273","2","273.15","","","","","","","","","3","P -1","-P 1","2","","","","- C45 H26 O -","- C45 H26 O -","- C90 H52 O2 -","2","1","","Yang, Guang; Zhao, Wen-Xuan; Cao, Jing-Yi; Xue, Zeng-Min; Lin, Hong-Tao; Chen, Shu-Hai; Yamato, Takehiko; Redshaw, Carl; Wang, Chuan-Zeng","Regulable high-contrast mechanofluorochromic enhancement behaviour based on substituent effects.","Chemical communications (Cambridge, England)","2024","60","29","3966","3969","10.1039/d4cc00476k","","","0.71073","MoKα","","0.0856","0.0466","","","0.1156","0.1295","","","","","","1.07","","","","has coordinates","291499","2024-05-05","00:39:19",""
"1571175","51.7208","0.0003","51.7208","0.0003","23.7243","0.0002","90","","90","","120","","54961","0.6","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C101 H132 Cu4 N4 O13 -","- C101 H132 Cu4 N4 O13 -","- C1818 H2376 Cu72 N72 O234 -","18","1","","Osei, Manasseh Kusi; Mirzaei, Saber; Mirzaei, M. Saeed; Valles, Agustin; Hernández Sánchez, Raúl","Reversible dioxygen uptake at [Cu4] clusters","Chemical Science","2024","15","14","5327","5332","10.1039/D3SC06390A","","x-ray","1.54184","CuKα","","0.1243","0.1012","","","0.3104","0.3408","","","","","","1.326","","","","has coordinates,has disorder","290834","2024-04-04","22:41:10",""
"1571176","14.3434","0.0003","18.4638","0.0005","19.1152","0.0005","107.861","0.002","104.915","0.002","94.308","0.002","4590.2","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C94 H115 Cu4 N5 O12.25 -","- C94 H115 Cu4 N5 O12.25 -","- C188 H230 Cu8 N10 O24.5 -","2","1","","Osei, Manasseh Kusi; Mirzaei, Saber; Mirzaei, M. Saeed; Valles, Agustin; Hernández Sánchez, Raúl","Reversible dioxygen uptake at [Cu4] clusters","Chemical Science","2024","15","14","5327","5332","10.1039/D3SC06390A","","x-ray","1.54184","CuKα","","0.1907","0.1052","","","0.2911","0.3509","","","","","","1.062","","","","has coordinates,has disorder","290834","2024-04-04","22:41:11",""
"1571177","7.0333","0.0003","11.0537","0.0005","15.3641","0.0007","79.685","0.002","85.884","0.002","82.938","0.002","1164.73","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H29 B N O8.5 -","- C22 H29 B N O8.5 -","- C44 H58 B2 N2 O17 -","2","1","","Rulli, Federica; Sanz-Liarte, Guillem; Roca, Pol; Martínez, Nina; Medina, Víctor; Puig de la Bellacasa, Raimon; Shafir, Alexandr; Cuenca, Ana B.","From propenolysis to enyne metathesis: tools for expedited assembly of 4<i>a</i>,8<i>a</i>-azaboranaphthalene and extended polycycles with embedded BN.","Chemical science","2024","15","15","5674","5680","10.1039/d3sc06676b","","","0.71073","MoKα","","0.1061","0.0726","","","0.1831","0.2026","","","","","","1.08","","","","has coordinates,has disorder","291580","2024-05-05","01:55:37",""
"1571178","7.7013","0.0003","13.3036","0.0006","14.8499","0.0006","68.809","0.002","86.831","0.002","82.254","0.002","1405.59","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H76 B2 N2 O18 -","- C56 H76 B2 N2 O18 -","- C56 H76 B2 N2 O18 -","1","0.5","","Rulli, Federica; Sanz-Liarte, Guillem; Roca, Pol; Martínez, Nina; Medina, Víctor; Puig de la Bellacasa, Raimon; Shafir, Alexandr; Cuenca, Ana B.","From propenolysis to enyne metathesis: tools for expedited assembly of 4<i>a</i>,8<i>a</i>-azaboranaphthalene and extended polycycles with embedded BN.","Chemical science","2024","15","15","5674","5680","10.1039/d3sc06676b","","","0.71073","MoKα","","0.0992","0.0649","","","0.1359","0.1505","","","","","","1.077","","","","has coordinates,has disorder","291580","2024-05-05","01:55:41",""
"1571179","10.2478","0.0006","19.9069","0.0014","35.264","0.002","90","","94.106","0.005","90","","7175.5","0.8","150","0.1","150.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H43 Fe O13 S32 -","- C53 H43 Fe O13 S32 -","- C212 H172 Fe4 O52 S128 -","4","0.5","","Blundell, Toby J.; Rusbridge, Elizabeth K.; Pemberton, Rebecca E.; Brannan, Michael J.; Morritt, Alexander L.; Ogar, Joseph O.; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku; Martin, Lee","Introduction of new guest molecules into BEDT-TTF radical-cation salts with tris(oxalato)ferrate","CrystEngComm","2024","26","14","1962","1975","10.1039/D4CE00099D","","","1.54184","CuKα","","0.1218","0.0862","","","0.2072","0.2425","","","","","","1.037","","","","has coordinates,has disorder","290893","2024-04-04","23:08:27",""
"1571180","10.3279","0.0003","20.0206","0.0005","35.3409","0.0009","90","","92.91","0.007","90","","7298","0.3","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H39 Fe O14 S32 -","- C52 H39 Fe O14 S32 -","- C208 H156 Fe4 O56 S128 -","4","0.5","","Blundell, Toby J.; Rusbridge, Elizabeth K.; Pemberton, Rebecca E.; Brannan, Michael J.; Morritt, Alexander L.; Ogar, Joseph O.; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku; Martin, Lee","Introduction of new guest molecules into BEDT-TTF radical-cation salts with tris(oxalato)ferrate","CrystEngComm","2024","26","14","1962","1975","10.1039/D4CE00099D","","","0.71075","MoKα","","0.054","0.0382","","","0.0849","0.0919","","","","","","1.019","","","","has coordinates,has disorder","290893","2024-04-04","23:08:27",""
"1571181","10.2331","0.001","11.1922","0.0009","35.2191","0.0014","89.485","0.005","86.524","0.006","62.861","0.009","3582.2","0.6","150","0.1","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C53 H41 Fe O14 S32 -","- C53 H41 Fe O14 S32 -","- C106 H82 Fe2 O28 S64 -","2","1","","Blundell, Toby J.; Rusbridge, Elizabeth K.; Pemberton, Rebecca E.; Brannan, Michael J.; Morritt, Alexander L.; Ogar, Joseph O.; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku; Martin, Lee","Introduction of new guest molecules into BEDT-TTF radical-cation salts with tris(oxalato)ferrate","CrystEngComm","2024","26","14","1962","1975","10.1039/D4CE00099D","","","1.54184","CuKα","","0.1749","0.1359","","","0.3833","0.4348","","","","","","1.514","","","","has coordinates,has disorder","290893","2024-04-04","23:08:27",""
"1571182","11.1233","0.0002","11.5487","0.0002","35.1801","0.0006","89.381","0.006","85.771","0.006","69.934","0.005","4232.83","0.19","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H44 Fe O14 S40 -","- C58 H50 Fe O15 S40 -","- C116 H100 Fe2 O30 S80 -","2","1","","Blundell, Toby J.; Rusbridge, Elizabeth K.; Pemberton, Rebecca E.; Brannan, Michael J.; Morritt, Alexander L.; Ogar, Joseph O.; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku; Martin, Lee","Introduction of new guest molecules into BEDT-TTF radical-cation salts with tris(oxalato)ferrate","CrystEngComm","2024","26","14","1962","1975","10.1039/D4CE00099D","","","0.71075","MoKα","","0.0844","0.0595","","","0.1699","0.1863","","","","","","1.041","","","","has coordinates","290893","2024-04-04","23:08:27",""
"1571183","24.9368","0.0006","19.4844","0.0003","31.8267","0.001","90","","108.849","0.003","90","","14634.6","0.7","293","2","293","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C50 H37 Fe O12 S32 -","- C50 H37 Fe O12 S32 -","- C400 H296 Fe8 O96 S256 -","8","2","","Blundell, Toby J.; Rusbridge, Elizabeth K.; Pemberton, Rebecca E.; Brannan, Michael J.; Morritt, Alexander L.; Ogar, Joseph O.; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku; Martin, Lee","Introduction of new guest molecules into BEDT-TTF radical-cation salts with tris(oxalato)ferrate","CrystEngComm","2024","26","14","1962","1975","10.1039/D4CE00099D","","","1.54184","CuKα","","0.1527","0.0706","","","0.1774","0.2294","","","","","","0.962","","","","has coordinates,has disorder","290893","2024-04-04","23:08:27",""
"1571184","20.98915","0.00015","17.36611","0.00009","20.56133","0.00013","90","","110.078","0.0008","90","","7039.14","0.08","169.99","0.1","169.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C86 H72 Br2 N2 Ni -","- C86 H72 Br2 N2 Ni -","- C344 H288 Br8 N8 Ni4 -","4","1","","Saeed, Hassan; Mahmood, Qaiser; Yuan, Rongyan; Wang, Yizhou; Zou, Song; Tahir, Kainat Fatima; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","High-performance polyethylene elastomers using a hybrid steric approach in α-diimine nickel precatalysts","Polymer Chemistry","2024","15","14","1437","1452","10.1039/D4PY00061G","","x-ray","1.54184","CuKα","","0.0604","0.0578","","","0.2423","0.2479","","","","","","1.175","","","","has coordinates","291070","2024-04-05","00:18:24",""
"1571185","28.8212","0.0018","10.4943","0.0004","30.215","0.002","90","","118.38","0.008","90","","8040.4","1","170","0.1","170","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C100 H100 Br2 N2 Ni -","- C100 H100 Br2 N2 Ni -","- C400 H400 Br8 N8 Ni4 -","4","1","","Saeed, Hassan; Mahmood, Qaiser; Yuan, Rongyan; Wang, Yizhou; Zou, Song; Tahir, Kainat Fatima; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","High-performance polyethylene elastomers using a hybrid steric approach in α-diimine nickel precatalysts","Polymer Chemistry","2024","15","14","1437","1452","10.1039/D4PY00061G","","x-ray","0.71073","MoKα","","0.2209","0.1353","","","0.2532","0.2861","","","","","","1.167","","","","has coordinates,has disorder","291070","2024-04-05","00:18:25",""
"1571186","21.2367","0.0002","17.34528","0.00014","20.7624","0.0002","90","","109.538","0.0011","90","","7207.59","0.12","169.99","0.1","169.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C88 H76 Br2 N2 Ni -","- C88 H76 Br2 N2 Ni -","- C352 H304 Br8 N8 Ni4 -","4","1","","Saeed, Hassan; Mahmood, Qaiser; Yuan, Rongyan; Wang, Yizhou; Zou, Song; Tahir, Kainat Fatima; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","High-performance polyethylene elastomers using a hybrid steric approach in α-diimine nickel precatalysts","Polymer Chemistry","2024","15","14","1437","1452","10.1039/D4PY00061G","","x-ray","1.54184","CuKα","","0.0545","0.0505","","","0.1491","0.1521","","","","","","1.029","","","","has coordinates","291070","2024-04-05","00:18:25",""
"1571187","8.2168","0.0012","12.1811","0.0018","28.132","0.004","90","","93.702","0.005","90","","2809.8","0.7","273.15","","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N2 O4 S2 -","- C30 H28 N2 O4 S2 -","- C120 H112 N8 O16 S8 -","4","1","","Sun, Haoyany; Pan, Junhong; Zhao, Wenying; Zhou, Tong; Song, Xizhong; Lin, Jun; Jin, Yi","Scandium-catalyzed chemoselective carbene insertion into N-H over S-H: access to <i>o</i>-alkylamine-diaryl disulfides.","Chemical communications (Cambridge, England)","2024","60","28","3798","3801","10.1039/d4cc00557k","","x-ray","0.71073","MoKα","","0.199","0.111","","","0.1506","0.172","","","","","","1.092","","","","has coordinates","290800","2024-04-04","22:25:38",""
"1571188","14.474","0.0012","12.9605","0.001","14.8707","0.0012","90","","110.226","0.002","90","","2617.6","0.4","273.15","","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H32 N2 O2 -","- C33 H32 N2 O2 -","- C132 H128 N8 O8 -","4","1","","Xu, Lihua; Zhao, Jiang","Bromine atom introduction improves the F<sup>-</sup> sensing ability of an indolo[3,2-<i>b</i>]carbazole-salicylaldehyde-based fluorescence turn-on sensor.","Chemical communications (Cambridge, England)","2024","60","28","3830","3833","10.1039/d3cc05991j","","","0.71073","MoKα","","0.1327","0.1003","","","0.2412","0.2791","","","","","","1.027","","","","has coordinates","290803","2024-04-04","22:26:26",""
"1571189","6.148","0.0004","11.2791","0.0007","8.6416","0.0006","90","","98.935","0.006","90","","591.97","0.07","94","0.1","94","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","Di-tert-butyldiphosphatetrahedrane","","","- C10 H18 P2 -","- C10 H18 P2 -","- C20 H36 P4 -","2","1","","Hierlmeier, Gabriele; Kutta, Roger Jan; Coburger, Peter; Stammler, Hans-Georg; Schwabedissen, Jan; Mitzel, Norbert W.; Dimitrova, Maria; Berger, Raphael J. F.; Nuernberger, Patrick; Wolf, Robert","Structure and photochemistry of di-<i>tert</i>-butyldiphosphatetrahedrane.","Chemical science","2024","15","15","5596","5603","10.1039/d4sc00936c","","","0.71073","MoKα","","0.0369","0.027","","","0.0542","0.0555","","","","","","0.839","","","","has coordinates","291588","2024-05-05","02:02:16",""
"1571190","7.7927","0.0001","27.0421","0.0003","26.5278","0.0002","90","","96.253","0.001","90","","5556.97","0.1","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H83 N3 O6 P6 -","- C51 H83 N3 O6 P6 -","- C204 H332 N12 O24 P24 -","4","1","","Hierlmeier, Gabriele; Kutta, Roger Jan; Coburger, Peter; Stammler, Hans-Georg; Schwabedissen, Jan; Mitzel, Norbert W.; Dimitrova, Maria; Berger, Raphael J. F.; Nuernberger, Patrick; Wolf, Robert","Structure and photochemistry of di-<i>tert</i>-butyldiphosphatetrahedrane.","Chemical science","2024","15","15","5596","5603","10.1039/d4sc00936c","","x-ray","1.54184","CuKα","","0.0431","0.039","","","0.1015","0.1041","","","","","","1.057","","","","has coordinates","291588","2024-05-05","02:02:20",""
"1571191","14.7865","0.0005","10.4516","0.0003","13.5026","0.0003","90","","90","","90","","2086.73","0.1","99.96","0.18","99.96","0.18","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H34 Co N O P -","- C22 H34 Co N O P -","- C88 H136 Co4 N4 O4 P4 -","4","1","","Höeg, Finn; Luxenberger, Lea; Fedulin, Andrey; Jacobi von Wangelin, Axel","Cobalt-catalyzed double hydroboration of pyridines","Chemical Science","2024","15","14","5201","5210","10.1039/D3SC05418G","","x-ray","0.71073","MoKα","","0.0596","0.0531","","","0.1122","0.1171","","","","","","1.064","","","","has coordinates","290875","2024-04-04","23:02:12",""
"1571192","14.1533","0.0004","6.0972","0.0002","15.4812","0.0004","90","","100.501","0.002","90","","1313.58","0.07","99.95","0.13","99.95","0.13","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H19 N O2 -","- C15 H19 N O2 -","- C60 H76 N4 O8 -","4","1","","Höeg, Finn; Luxenberger, Lea; Fedulin, Andrey; Jacobi von Wangelin, Axel","Cobalt-catalyzed double hydroboration of pyridines","Chemical Science","2024","15","14","5201","5210","10.1039/D3SC05418G","","","1.54184","CuKα","","0.0656","0.0627","","","0.1533","0.1588","","","","","","1.059","","","","has coordinates","290875","2024-04-04","23:02:13",""
"1571193","8.5688","0.0005","12.8423","0.0005","13.3857","0.0005","100.81","0.003","95.593","0.004","92.022","0.004","1437.81","0.12","99.97","0.13","99.97","0.13","","","","","","","","7","P -1","-P 1","2","","","","- C28 H46 B Co N O3 P -","- C28 H46 B Co N O3 P -","- C56 H92 B2 Co2 N2 O6 P2 -","2","1","","Höeg, Finn; Luxenberger, Lea; Fedulin, Andrey; Jacobi von Wangelin, Axel","Cobalt-catalyzed double hydroboration of pyridines","Chemical Science","2024","15","14","5201","5210","10.1039/D3SC05418G","","","1.54184","CuKα","","0.0611","0.0561","","","0.1494","0.1588","","","","","","1.112","","","","has coordinates","290875","2024-04-04","23:02:13",""
"1571194","22.308","0.0005","9.2019","0.0002","22.7534","0.0005","90","","95.001","0.002","90","","4652.95","0.18","99.94","0.17","99.94","0.17","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H38 Co N O P -","- C24 H38 Co N O P -","- C192 H304 Co8 N8 O8 P8 -","8","2","","Höeg, Finn; Luxenberger, Lea; Fedulin, Andrey; Jacobi von Wangelin, Axel","Cobalt-catalyzed double hydroboration of pyridines","Chemical Science","2024","15","14","5201","5210","10.1039/D3SC05418G","","x-ray","1.54184","CuKα","","0.0663","0.057","","","0.1529","0.1634","","","","","","1.085","","","","has coordinates","290875","2024-04-04","23:02:13",""
"1571195","16.4812","0.0005","8.4448","0.0002","28.0381","0.0008","90","","103.883","0.003","90","","3788.36","0.19","99.92","0.18","99.92","0.18","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H63 B Co2 N O3 P -","- C38 H63 B Co2 N O3 P -","- C152 H252 B4 Co8 N4 O12 P4 -","4","1","","Höeg, Finn; Luxenberger, Lea; Fedulin, Andrey; Jacobi von Wangelin, Axel","Cobalt-catalyzed double hydroboration of pyridines","Chemical Science","2024","15","14","5201","5210","10.1039/D3SC05418G","","x-ray","0.71073","MoKα","","0.0583","0.0489","","","0.1291","0.1352","","","","","","1.1","","","","has coordinates","290875","2024-04-04","23:02:13",""
"1571196","12.7059","0.0003","10.7086","0.0002","12.8648","0.0002","90","","92.7679","0.0018","90","","1748.37","0.06","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Compound_13","Compound_13","","- C21 H20 N3 P -","- C21 H20 N3 P -","- C84 H80 N12 P4 -","4","1","","Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.","Electrosynthesis of iminophosphoranes and applications in nickel catalysis.","Chemical science","2024","15","16","5980","5992","10.1039/d3sc05357a","","x-ray","1.54184","CuKα","","0.0435","0.0401","","","0.1046","0.107","","","","","","1.064","","","","has coordinates","291567","2024-05-05","01:39:11",""
"1571197","24.4855","0.0004","24.4855","0.0004","11.1476","0.0002","90","","90","","120","","5788.02","0.17","100","0.1","100","0.1","","","","","","","","5","R -3 :H","-R 3","148","Compound_26","Compound_26","","- C14 H14 N2 O P -","- C14 H14 N2 O P -","- C252 H252 N36 O18 P18 -","18","1","","Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.","Electrosynthesis of iminophosphoranes and applications in nickel catalysis.","Chemical science","2024","15","16","5980","5992","10.1039/d3sc05357a","","x-ray","1.54184","CuKα","","0.0445","0.0421","","","0.1208","0.1229","","","","","","1.102","","","","has coordinates","291567","2024-05-05","01:39:17",""
"1571198","15.3525","0.0002","9.81549","0.00015","17.346","0.0002","90","","98.1105","0.0013","90","","2587.76","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Compound_22","Compound_22","","- C30 H33 N4 P -","- C30 H33 N4 P -","- C120 H132 N16 P4 -","4","1","","Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.","Electrosynthesis of iminophosphoranes and applications in nickel catalysis.","Chemical science","2024","15","16","5980","5992","10.1039/d3sc05357a","","x-ray","1.54184","CuKα","","0.037","0.0334","","","0.0847","0.0877","","","","","","1.048","","","","has coordinates","291567","2024-05-05","01:39:17",""
"1571199","9.1045","0.0001","26.3845","0.0003","9.3517","0.0001","90","","93.698","0.001","90","","2241.77","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","Compound_36","Compound_36","","- C54 H48 N4 P4 -","- C54 H48 N4 P4 -","- C108 H96 N8 P8 -","2","1","","Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.","Electrosynthesis of iminophosphoranes and applications in nickel catalysis.","Chemical science","2024","15","16","5980","5992","10.1039/d3sc05357a","","x-ray","1.54184","CuKα","","0.0526","0.0512","","","0.1582","0.1597","","","","","","1.083","","","","has coordinates","291567","2024-05-05","01:39:18",""
"1571200","17.814","0.0003","14.2764","0.0002","14.7633","0.0002","90","","107.84","0.002","90","","3574.06","0.1","297.42","0.1","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N4 P -","- C20 H17 N4 P -","- C160 H136 N32 P8 -","8","2","","Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.","Electrosynthesis of iminophosphoranes and applications in nickel catalysis.","Chemical science","2024","15","16","5980","5992","10.1039/d3sc05357a","","x-ray","1.54184","CuKα","","0.0428","0.0367","","","0.1047","0.1099","","","","","","1.061","","","","has coordinates,has disorder","291567","2024-05-05","01:39:18",""
"1571201","9.39428","0.00009","11.00098","0.00013","20.6966","0.0002","90","","90","","90","","2138.92","0.04","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 N3 O P -","- C25 H24 N3 O P -","- C100 H96 N12 O4 P4 -","4","1","","Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.","Electrosynthesis of iminophosphoranes and applications in nickel catalysis.","Chemical science","2024","15","16","5980","5992","10.1039/d3sc05357a","","x-ray","1.54184","CuKα","","0.0263","0.0257","","","0.0644","0.0649","","","","","","1.04","","","","has coordinates","291567","2024-05-05","01:39:18",""
"1571202","12.0937","0.0003","27.134","0.0006","15.1168","0.0003","90","","104.658","0.002","90","","4799.14","0.19","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","mds322","","- C49 H40 Br4 N9 Ni2 O P2 -","- C49 H40 Br4 N9 Ni2 O P2 -","- C196 H160 Br16 N36 Ni8 O4 P8 -","4","1","","Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.","Electrosynthesis of iminophosphoranes and applications in nickel catalysis.","Chemical science","2024","15","16","5980","5992","10.1039/d3sc05357a","","x-ray","0.71073","MoKα","","0.0663","0.0497","","","0.1131","0.1196","","","","","","1.056","","","","has coordinates,has disorder","291567","2024-05-05","01:39:18",""
"1571203","10.0468","0.0002","10.5532","0.0002","11.2334","0.0002","81.121","0.002","72.014","0.002","84.044","0.002","1117.26","0.04","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","Compound35","Compound35","","- C27 H24 N2 O P2 -","- C27 H24 N2 O P2 -","- C54 H48 N4 O2 P4 -","2","1","","Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.","Electrosynthesis of iminophosphoranes and applications in nickel catalysis.","Chemical science","2024","15","16","5980","5992","10.1039/d3sc05357a","","x-ray","1.54184","CuKα","","0.036","0.034","","","0.0866","0.0879","","","","","","1.074","","","","has coordinates","291567","2024-05-05","01:39:18",""
"1571204","12.0258","0.0001","17.4694","0.0001","19.0196","0.0001","90","","102.948","0.001","90","","3894.11","0.05","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","Compound_31","Compound_31","","- C35.2 H31.2 N4.8 O2 P1.6 -","- C35.2 H31.2 N4.8 O2 P1.6 -","- C176 H156 N24 O10 P8 -","5","2.5","","Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.","Electrosynthesis of iminophosphoranes and applications in nickel catalysis.","Chemical science","2024","15","16","5980","5992","10.1039/d3sc05357a","","x-ray","1.54184","CuKα","","0.0307","0.0302","","","0.0822","0.0826","","","","","","1.028","","","","has coordinates","291567","2024-05-05","01:39:18",""
"1571205","9.683","0.0008","38.907","0.004","13.2918","0.0011","90","","106.154","0.004","90","","4809.8","0.8","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H56 Cl12 N2 O P2 Ti2 -","- C32 H56 Cl12 N2 O P2 Ti2 -","- C128 H224 Cl48 N8 O4 P8 Ti8 -","4","1","","Kounalis, Errikos; van Tongeren, Dylan; Melnikov, Stanislav; Lutz, Martin; Broere, Daniël L J","Pendulum-like hemilability in a Ti-based frustrated Lewis Trio.","Chemical science","2024","15","15","5555","5563","10.1039/d3sc06789k","","","0.71073","MoKα","","0.19","0.1107","","","0.2692","0.3155","","","","","","1.047","","","","has coordinates,has disorder","291584","2024-05-05","01:59:09",""
"1571206","16.8812","0.0014","16.61","0.0011","15.6315","0.0009","90","","111.688","0.003","90","","4072.7","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H59 Cl4 N2 P2 Ti -","- C34 H59 Cl4 N2 P2 Ti -","- C136 H236 Cl16 N8 P8 Ti4 -","4","1","","Kounalis, Errikos; van Tongeren, Dylan; Melnikov, Stanislav; Lutz, Martin; Broere, Daniël L J","Pendulum-like hemilability in a Ti-based frustrated Lewis Trio.","Chemical science","2024","15","15","5555","5563","10.1039/d3sc06789k","","","0.71073","MoKα","","0.1489","0.0715","","","0.1625","0.1987","","","","","","1.02","","","","has coordinates,has disorder","291584","2024-05-05","01:59:14",""
"1571207","15.1125","0.0003","20.187","0.0005","27.1948","0.0006","90","","90","","90","","8296.5","0.3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C31 H56 Au2 Cl6 N2 P2 Ti -","- C31 H56 Au2 Cl6 N2 P2 Ti -","- C248 H448 Au16 Cl48 N16 P16 Ti8 -","8","1","","Kounalis, Errikos; van Tongeren, Dylan; Melnikov, Stanislav; Lutz, Martin; Broere, Daniël L J","Pendulum-like hemilability in a Ti-based frustrated Lewis Trio.","Chemical science","2024","15","15","5555","5563","10.1039/d3sc06789k","","","0.71073","MoKα","","0.0669","0.0373","","","0.0739","0.083","","","","","","1.03","","","","has coordinates","291584","2024-05-05","01:59:14",""
"1571208","12.8524","0.0003","18.0304","0.0007","21.306","0.0006","102.735","0.001","104.569","0.001","105.177","0.001","4389.9","0.2","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C86 H84 B Cl3 F24 N2 O P2 Ti -","- C86 H84 B Cl3 F24 N2 O P2 Ti -","- C172 H168 B2 Cl6 F48 N4 O2 P4 Ti2 -","2","1","","Kounalis, Errikos; van Tongeren, Dylan; Melnikov, Stanislav; Lutz, Martin; Broere, Daniël L J","Pendulum-like hemilability in a Ti-based frustrated Lewis Trio.","Chemical science","2024","15","15","5555","5563","10.1039/d3sc06789k","","","0.71073","MoKα","","0.1277","0.0566","","","0.1154","0.1418","","","","","","1.014","","","","has coordinates,has disorder","291584","2024-05-05","01:59:14",""
"1571209","18.2372","0.0013","18.2261","0.001","19.3593","0.0008","90","","90.255","0.003","90","","6434.8","0.6","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C58 H56 B Cl3 F24 N2 P2 Ti -","- C58 H56 B Cl3 F24 N2 P2 Ti -","- C232 H224 B4 Cl12 F96 N8 P8 Ti4 -","4","1","","Kounalis, Errikos; van Tongeren, Dylan; Melnikov, Stanislav; Lutz, Martin; Broere, Daniël L J","Pendulum-like hemilability in a Ti-based frustrated Lewis Trio.","Chemical science","2024","15","15","5555","5563","10.1039/d3sc06789k","","","0.71073","MoKα","","0.103","0.0589","","","0.1456","0.1699","","","","","","1.029","","","","has coordinates","291584","2024-05-05","01:59:14",""
"1571210","11.8542","0.0016","10.8829","0.0013","8.9354","0.0012","90","","99.888","0.005","90","","1135.6","0.3","380","","380","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-1H-purin-6-one","penciclovir","","- C10 H15 N5 O3 -","- C10 H15 N5 O3 -","- C40 H60 N20 O12 -","4","1","","Meng, Jiantao; Su, Yuan; Zhu, Hang; Cai, Ting","Shape memory and self-healing in a molecular crystal with inverse temperature symmetry breaking.","Chemical science","2024","15","15","5738","5745","10.1039/d3sc06800e","","","0.71073","MoKα","","0.1107","0.056","","","0.1228","0.1556","","","","","","1.031","","","","has coordinates","291583","2024-05-05","01:58:30",""
"1571211","9.093","0.004","10.918","0.004","11.805","0.004","87.335","0.012","80.598","0.013","86.279","0.015","1153","0.8","400","","400","","","","","","","","","4","P -1","-P 1","2","2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-1H-purin-6-one","penciclovir","","- C10 H15 N5 O3 -","- C10 H15 N5 O3 -","- C40 H60 N20 O12 -","4","2","","Meng, Jiantao; Su, Yuan; Zhu, Hang; Cai, Ting","Shape memory and self-healing in a molecular crystal with inverse temperature symmetry breaking.","Chemical science","2024","15","15","5738","5745","10.1039/d3sc06800e","","","0.71073","MoKα","","0.1243","0.0729","","","0.1664","0.1971","","","","","","1.074","","","","has coordinates","291583","2024-05-05","01:58:30",""
"1571212","6.4286","0.0001","8.7411","0.0002","33.5094","0.0006","90","","90","","90","","1882.99","0.06","296.3","0.6","296.3","0.6","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 F4 N O -","- C24 H17 F4 N O -","- C96 H68 F16 N4 O4 -","4","1","","Fang, Chao; Wang, Quan-Pu; Xu, Bing; Zhang, Zhan-Ming; Zhang, Junliang","Palladium/XuPhos-catalyzed enantioselective cascade Heck/intermolecular C(sp<sup>2</sup>)-H alkylation reaction.","Chemical science","2024","15","15","5573","5580","10.1039/d4sc00262h","","x-ray","1.54184","CuKα","","0.0334","0.0302","","","0.0769","0.079","","","","","","1.06","","","","has coordinates","291587","2024-05-05","02:01:28",""
"1571213","18.288","0.004","24.723","0.005","6.9501","0.0015","90","","92.813","0.006","90","","3138.6","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H20 F20 O4 S6 -","- C68 H20 F20 O4 S6 -","- C136 H40 F40 O8 S12 -","2","0.5","","Shukla, Pragati; Ambhore, Madan D.; Anand, Venkataramanarao G.","Open shell (4<i>n</i> + 2)π and closed shell 4<i>n</i>π planar core-modified decaphyrins.","Chemical science","2024","15","16","6022","6027","10.1039/d3sc05251f","","","0.71073","MoKα","","0.1012","0.0649","","","0.1527","0.1754","","","","","","0.915","","","","has coordinates","291571","2024-05-05","01:42:19",""
"1571214","18.258","0.004","13.448","0.003","21.934","0.005","90","","104.115","0.007","90","","5223","2","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C94 H74 S10 -","- C94 H74 S10 -","- C188 H148 S20 -","2","0.5","","Shukla, Pragati; Ambhore, Madan D.; Anand, Venkataramanarao G.","Open shell (4<i>n</i> + 2)π and closed shell 4<i>n</i>π planar core-modified decaphyrins.","Chemical science","2024","15","16","6022","6027","10.1039/d3sc05251f","","","0.71073","MoKα","","0.1971","0.0754","","","0.186","0.2407","","","","","","1.051","","","","has coordinates","291571","2024-05-05","01:42:25",""
"1571215","12.453","0.003","21.757","0.006","23.66","0.006","66.193","0.008","79.426","0.009","86.247","0.008","5765","3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H20 Cl0 F20 S10 -","- C68 H20 F20 S10 -","- C204 H60 F60 S30 -","3","1.5","","Shukla, Pragati; Ambhore, Madan D.; Anand, Venkataramanarao G.","Open shell (4<i>n</i> + 2)π and closed shell 4<i>n</i>π planar core-modified decaphyrins.","Chemical science","2024","15","16","6022","6027","10.1039/d3sc05251f","","","0.71073","MoKα","","0.2459","0.0893","","","0.2012","0.2642","","","","","","0.943","","","","has coordinates","291571","2024-05-05","01:42:25",""
"1571216","23.966","0.008","12.143","0.004","32.204","0.012","90","","99.057","0.011","90","","9255","6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C100 H74 Cl2 F6 O5 S10 -","- C100 H74 Cl2 F6 O5 S10 -","- C400 H296 Cl8 F24 O20 S40 -","4","1","","Shukla, Pragati; Ambhore, Madan D.; Anand, Venkataramanarao G.","Open shell (4<i>n</i> + 2)π and closed shell 4<i>n</i>π planar core-modified decaphyrins.","Chemical science","2024","15","16","6022","6027","10.1039/d3sc05251f","","","0.71073","MoKα","","0.2413","0.117","","","0.2736","0.3327","","","","","","1.083","","","","has coordinates","291571","2024-05-05","01:42:25",""
"1571217","4.3844","0.0001","16.88","0.0003","23.4788","0.0004","90","","91.0715","0.0019","90","","1737.33","0.06","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 F3 N O5 -","- C18.001 H16 F3.0015 N O5.001 -","- C72.004 H64 F12.006 N4 O20.004 -","4","1","","Wang, Yu; Li, Yiwen; Ni, Yeke; Bučar, Dejan-Krešimir; Dalby, Paul A.; Ward, John M.; Jeffries, Jack W. E.; Hailes, Helen C.","A transaminase-mediated aldol reaction and applications in cascades to styryl pyridines.","Catalysis science & technology","2024","14","9","2390","2399","10.1039/d3cy01370g","","x-ray","1.54184","CuKα","","0.0501","0.045","","","0.11","0.1134","","","","","","1.073","","","","has coordinates,has disorder","292757","2024-07-05","12:58:52",""
"1571218","11.1145","0.001","11.1145","0.001","9.6132","0.0012","90","","90","","90","","1187.5","0.2","120","","120","","","","","","","","","6","P -4 m 2","P -4 -2","115","","","","- C7 H16 B10 Cu N O4 -","- C7 H16 B10 Cu N O4 -","- C14 H32 B20 Cu2 N2 O8 -","2","0.25","","Wang, Lingyao; Wu, Shuangshuang; Hu, Jianbo; Jiang, Yunjia; Li, Jiahao; Hu, Yongqi; Han, Yan; Ben, Teng; Chen, Banglin; Zhang, Yuanbin","A novel hydrophobic carborane-hybrid microporous material for reversed C<sub>2</sub>H<sub>6</sub> adsorption and efficient C<sub>2</sub>H<sub>4</sub>/C<sub>2</sub>H<sub>6</sub> separation under humid conditions.","Chemical science","2024","15","15","5653","5659","10.1039/d4sc00424h","","","1.54178","CuKα","","0.05","0.0439","","","0.111","0.1189","","","","","","1.104","","","","has coordinates,has disorder","291579","2024-05-05","01:55:07",""
"1571219","11.1145","0.0006","11.1145","0.0006","9.5867","0.0007","90","","90","","90","","1184.27","0.13","120","","120","","","","","","","","","6","P -4 m 2","P -4 -2","115","","","","- C8.1 H18.2 B10 Cu N O4 -","- C8.1 H18.2 B10 Cu N O4 -","- C16.2 H36.4 B20 Cu2 N2 O8 -","2","0.25","","Wang, Lingyao; Wu, Shuangshuang; Hu, Jianbo; Jiang, Yunjia; Li, Jiahao; Hu, Yongqi; Han, Yan; Ben, Teng; Chen, Banglin; Zhang, Yuanbin","A novel hydrophobic carborane-hybrid microporous material for reversed C<sub>2</sub>H<sub>6</sub> adsorption and efficient C<sub>2</sub>H<sub>4</sub>/C<sub>2</sub>H<sub>6</sub> separation under humid conditions.","Chemical science","2024","15","15","5653","5659","10.1039/d4sc00424h","","","0.71073","MoKα","","0.0559","0.0474","","","0.1143","0.1231","","","","","","1.144","","","","has coordinates,has disorder","291579","2024-05-05","01:55:13",""
"1571220","11.0892","0.0015","11.0892","0.0015","9.581","0.0014","90","","90","","90","","1178.2","0.3","120","","120","","","","","","","","","6","P -4 m 2","P -4 -2","115","","","","- C8 H17 B10 Cu N O4 -","- C8 H17 B10 Cu N O4 -","- C16 H34 B20 Cu2 N2 O8 -","2","0.25","","Wang, Lingyao; Wu, Shuangshuang; Hu, Jianbo; Jiang, Yunjia; Li, Jiahao; Hu, Yongqi; Han, Yan; Ben, Teng; Chen, Banglin; Zhang, Yuanbin","A novel hydrophobic carborane-hybrid microporous material for reversed C<sub>2</sub>H<sub>6</sub> adsorption and efficient C<sub>2</sub>H<sub>4</sub>/C<sub>2</sub>H<sub>6</sub> separation under humid conditions.","Chemical science","2024","15","15","5653","5659","10.1039/d4sc00424h","","","0.71073","MoKα","","0.1199","0.0853","","","0.209","0.2396","","","","","","1.081","","","","has coordinates,has disorder","291579","2024-05-05","01:55:13",""
"1571221","11.1131","0.0011","11.1131","0.0011","9.6111","0.0012","90","","90","","90","","1187","0.2","293.15","","293.15","","","","","","","","","6","P -4 m 2","P -4 -2","115","","","","- C7 H16 B10 Cu N O4 -","- C7 H16 B10 Cu N O4 -","- C14 H32 B20 Cu2 N2 O8 -","2","0.25","","Wang, Lingyao; Wu, Shuangshuang; Hu, Jianbo; Jiang, Yunjia; Li, Jiahao; Hu, Yongqi; Han, Yan; Ben, Teng; Chen, Banglin; Zhang, Yuanbin","A novel hydrophobic carborane-hybrid microporous material for reversed C<sub>2</sub>H<sub>6</sub> adsorption and efficient C<sub>2</sub>H<sub>4</sub>/C<sub>2</sub>H<sub>6</sub> separation under humid conditions.","Chemical science","2024","15","15","5653","5659","10.1039/d4sc00424h","","","0.71073","MoKα","","0.069","0.0539","","","0.1468","0.1701","","","","","","1.214","","","","has coordinates,has disorder","291579","2024-05-05","01:55:13",""
"1571222","14.769","0.003","15.187","0.003","21.191","0.004","90","","106.73","0.03","90","","4551.9","1.7","100","0.2","100","0.2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C105.5 H103 B2 Cl3 Co2 N8 O4 -","- C105.5 H103 B2 Cl3 Co2 N8 O4 -","- C211 H206 B4 Cl6 Co4 N16 O8 -","2","1","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71092","Synchrotron","","0.0917","0.0716","","","0.2093","0.2286","","","","","","1.063","","","","has coordinates,has disorder","291582","2024-05-05","01:57:36",""
"1571223","30.09","0.006","10.04","0.002","27.93","0.006","90","","90","","90","","8438","3","371.6","0.2","371.6","0.2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H46 B Co N4 O2 -","- C50 H46 B Co N4 O2 -","- C400 H368 B8 Co8 N32 O16 -","8","2","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.1085","0.047","","","0.128","0.1622","","","","","","0.979","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571224","29.872","0.006","9.931","0.002","27.754","0.006","90","","90","","90","","8233","3","271.59","0.02","270.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H46 B Co N4 O2 -","- C50 H46 B Co N4 O2 -","- C400 H368 B8 Co8 N32 O16 -","8","2","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.0711","0.0456","","","0.1157","0.1505","","","","","","1.082","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571225","29.62","0.006","9.84","0.002","27.53","0.006","90","","90","","90","","8024","3","99.96","0.02","99.96","0.02","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H46 B Co N4 O2 -","- C50 H46 B Co N4 O2 -","- C400 H368 B8 Co8 N32 O16 -","8","2","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.0813","0.0513","","","0.1227","0.1427","","","","","","1.029","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571226","20.212","0.004","9.634","0.0019","22.929","0.005","90","","95.57","0.03","90","","4443.7","1.6","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 B Co N4 O2 -","- C54 H54 B Co N4 O2 -","- C216 H216 B4 Co4 N16 O8 -","4","1","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.0705","0.0676","","","0.1786","0.1815","","","","","","1.046","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571227","30","0.006","9.98","0.002","27.84","0.006","90","","90","","90","","8335","3","330","0.2","330","0.2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H46 B Co N4 O2 -","- C50 H46 B Co N4 O2 -","- C400 H368 B8 Co8 N32 O16 -","8","2","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.0696","0.0404","","","0.1105","0.128","","","","","","1.008","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571228","20.258","0.004","9.648","0.0019","22.962","0.005","90","","95.6","0.03","90","","4466.5","1.6","153","0.2","153","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 B Co N4 O2 -","- C53.999 H53.998 B Co N4 O2 -","- C215.996 H215.992 B4 Co4 N16 O8 -","4","1","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.0718","0.068","","","0.1843","0.1883","","","","","","1.054","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571229","29.67","0.006","9.86","0.002","27.58","0.006","90","","90","","90","","8068","3","150.12","0.02","150.12","0.02","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H46 B Co N4 O2 -","- C50 H46 B Co N4 O2 -","- C400 H368 B8 Co8 N32 O16 -","8","2","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.0828","0.0482","","","0.1119","0.1289","","","","","","1.016","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571230","29.76","0.006","9.89","0.002","27.66","0.006","90","","90","","90","","8141","3","201.34","0.02","201.34","0.02","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H46 B Co N4 O2 -","- C50 H46 B Co N4 O2 -","- C400 H368 B8 Co8 N32 O16 -","8","2","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.0793","0.0478","","","0.1146","0.133","","","","","","1.011","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571231","20.464","0.004","9.708","0.0019","23.147","0.005","90","","95.64","0.03","90","","4576.2","1.6","276","0.2","276","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 B Co N4 O2 -","- C53.999 H53.998 B Co N4 O2 -","- C215.996 H215.992 B4 Co4 N16 O8 -","4","1","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.0874","0.0783","","","0.2227","0.2341","","","","","","1.057","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571232","20.716","0.004","9.795","0.002","23.515","0.005","90","","95.47","0.03","90","","4749.8","1.7","400","0.2","400","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 B Co N4 O2 -","- C54 H54 B Co N4 O2 -","- C216 H216 B4 Co4 N16 O8 -","4","1","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.075","0.0624","","","0.198","0.2157","","","","","","1.066","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571233","20.675","0.004","9.779","0.002","23.468","0.005","90","","95.49","0.03","90","","4723","1.7","376","0.2","376","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 B Co N4 O2 -","- C54.001 H54.002 B Co N4 O2 -","- C216.004 H216.008 B4 Co4 N16 O8 -","4","1","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.0888","0.0699","","","0.2113","0.2405","","","","","","1.067","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571234","20.525","0.004","9.727","0.0019","23.244","0.005","90","","95.61","0.03","90","","4618.4","1.6","302","0.2","302","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 B Co N4 O2 -","- C54 H54 B Co N4 O2 -","- C216 H216 B4 Co4 N16 O8 -","4","1","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.087","0.0757","","","0.2212","0.2356","","","","","","1.06","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571235","20.581","0.004","9.747","0.0019","23.342","0.005","90","","95.56","0.03","90","","4660.4","1.6","327","0.2","327","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 B Co N4 O2 -","- C54 H54 B Co N4 O2 -","- C216 H216 B4 Co4 N16 O8 -","4","1","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71073","Synchrotron","","0.0855","0.0724","","","0.2163","0.2354","","","","","","1.069","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571236","20.402","0.004","9.692","0.0019","23.077","0.005","90","","95.63","0.03","90","","4541.1","1.6","252","0.2","252","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 B Co N4 O2 -","- C54 H54 B Co N4 O2 -","- C216 H216 B4 Co4 N16 O8 -","4","1","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.0839","0.0769","","","0.2128","0.221","","","","","","1.035","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571237","20.325","0.004","9.671","0.0019","23.011","0.005","90","","95.61","0.03","90","","4501.4","1.6","202","0.2","202","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 B Co N4 O2 -","- C54.001 H54.002 B Co N4 O2 -","- C216.004 H216.008 B4 Co4 N16 O8 -","4","1","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.0791","0.0742","","","0.2001","0.2055","","","","","","1.026","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571238","20.625","0.004","9.765","0.002","23.419","0.005","90","","95.51","0.03","90","","4694.9","1.7","352","0.2","352","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 B Co N4 O2 -","- C54 H54 B Co N4 O2 -","- C216 H216 B4 Co4 N16 O8 -","4","1","","M Zahir, F Zahra; Hay, Moya A.; Janetzki, Jett T.; Gable, Robert W.; Goerigk, Lars; Boskovic, Colette","Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent.","Chemical science","2024","15","15","5694","5710","10.1039/d3sc04493a","","","0.71075","Synchrotron","","0.0855","0.0709","","","0.2113","0.2327","","","","","","1.051","","","","has coordinates,has disorder","291582","2024-05-05","01:57:44",""
"1571239","13.1125","0.0001","21.0944","0.0001","18.8571","0.0001","90","","107.233","0.001","90","","4981.73","0.06","100.01","0.1","100.01","0.1","","","100","","","","","4","P 1 21 1","P 2yb","4","H-YLGGG-OH Q8 complex hydrate","L-tyrosyl-L-leucylglycylglycylglycine cucurbit[8]uril complex octadecahydrate","","- C69 H116 N37 O42 -","- C69 H116 N37 O42 -","- C138 H232 N74 O84 -","2","1","","Suating, Paolo; Ewe, Marc B.; Kimberly, Lauren B.; Arman, Hadi D.; Wherritt, Daniel J.; Urbach, Adam R.","Peptide recognition by a synthetic receptor at subnanomolar concentrations","Chemical Science","2024","15","14","5133","5142","10.1039/D4SC01122H","","x-ray","1.54184","CuKα","","0.0391","0.0377","","","0.0973","0.0986","","","","","","1.031","","","","has coordinates","290832","2024-04-04","22:40:12",""
"1571240","34.6961","0.0003","14.6388","0.0001","18.863","0.0001","90","","90.751","0.001","90","","9579.87","0.12","99.99","0.1","99.99","0.1","","","100","","","","synthetic","4","C 1 2 1","C 2y","5","LYGGG Q8 complex","L-leucyl-L-tyrosylglycylglycylglycine cucurbit[8]uril complex hydrate","","- C276 H381.4 N148 O132.2 -","- C276 H381.4 N148 O132.2 -","- C276 H381.4 N148 O132.2 -","1","0.25","","Suating, Paolo; Ewe, Marc B.; Kimberly, Lauren B.; Arman, Hadi D.; Wherritt, Daniel J.; Urbach, Adam R.","Peptide recognition by a synthetic receptor at subnanomolar concentrations","Chemical Science","2024","15","14","5133","5142","10.1039/D4SC01122H","","x-ray","1.54184","CuKα","","0.059","0.056","","","0.1308","0.1324","","","","","","1.069","","","","has coordinates,has disorder","290832","2024-04-04","22:40:13",""
"1571241","30.2632","0.0014","17.8811","0.0008","14.5204","0.0007","90","","116.644","0.001","90","","7023.2","0.6","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H18 N4 O4 -","- C19 H18 N4 O4 -","- C304 H288 N64 O64 -","16","4","","Gerz, Isabelle; Aunan, Erlend S.; Finelli, Valeria; Abu Rasheed, Mouhammad; Deplano, Gabriele; Cortez S P, Rafael; Schmidtke, Inga L.; Wragg, David S.; Signorile, Matteo; Hylland, Knut T.; Borfecchia, Elisa; Lillerud, Karl Petter; Bordiga, Silvia; Olsbye, Unni; Amedjkouh, Mohamed","Enabling a bioinspired <i>N</i>,<i>N</i>,<i>N</i>-copper coordination motif through spatial control in UiO-67: synthesis and reactivity.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8141","8153","10.1039/d3dt03096b","","x-ray","0.71073","MoKα","","0.061","0.0447","","","0.0971","0.1038","","","","","","1.01","","","","has coordinates","293059","2024-07-05","16:19:54",""
"1571242","9.4125","0.0005","9.5825","0.0005","12.6203","0.0007","111.81","0.001","94.784","0.001","97.059","0.001","1038.46","0.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 Cl2 N4 O7 -","- C17 H22 Cl2 N4 O7 -","- C34 H44 Cl4 N8 O14 -","2","1","","Gerz, Isabelle; Aunan, Erlend S.; Finelli, Valeria; Abu Rasheed, Mouhammad; Deplano, Gabriele; Cortez S P, Rafael; Schmidtke, Inga L.; Wragg, David S.; Signorile, Matteo; Hylland, Knut T.; Borfecchia, Elisa; Lillerud, Karl Petter; Bordiga, Silvia; Olsbye, Unni; Amedjkouh, Mohamed","Enabling a bioinspired <i>N</i>,<i>N</i>,<i>N</i>-copper coordination motif through spatial control in UiO-67: synthesis and reactivity.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8141","8153","10.1039/d3dt03096b","","x-ray","0.71073","MoKα","","0.0382","0.0326","","","0.085","0.0885","","","","","","1.06","","","","has coordinates","293059","2024-07-05","16:19:57",""
"1571243","7.0232","0.0012","13.372","0.002","20.612","0.003","95.02","0.007","91.808","0.009","100.397","0.009","1894.5","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H36 Cu N8 O8 -","- C38 H36 Cu N8 O8 -","- C76 H72 Cu2 N16 O16 -","2","1","","Gerz, Isabelle; Aunan, Erlend S.; Finelli, Valeria; Abu Rasheed, Mouhammad; Deplano, Gabriele; Cortez S P, Rafael; Schmidtke, Inga L.; Wragg, David S.; Signorile, Matteo; Hylland, Knut T.; Borfecchia, Elisa; Lillerud, Karl Petter; Bordiga, Silvia; Olsbye, Unni; Amedjkouh, Mohamed","Enabling a bioinspired <i>N</i>,<i>N</i>,<i>N</i>-copper coordination motif through spatial control in UiO-67: synthesis and reactivity.","Dalton transactions (Cambridge, England : 2003)","2024","53","19","8141","8153","10.1039/d3dt03096b","","","0.71073","MoKα","","0.1283","0.1064","","","0.2336","0.2436","","","","","","1.166","","","","has coordinates","293059","2024-07-05","16:19:57",""
"1571244","8.489","0.0012","16.4","0.002","27.936","0.003","90","","90","","90","","3889.2","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","10-Bromo-<i>N</i>,<i>N</i>-diphenylanthracen-9-amine","","- C26 H18 Br N -","- C26 H18 Br N -","- C208 H144 Br8 N8 -","8","1","HB4462","Sureshkumar, K.; Khamrang, Themmila; Hemamalini, Madhukar; Saravanan, Dhandayutham; Antony, G. Jerald Maria","10-Bromo-N,N-diphenylanthracen-9-amine","IUCrData","2024","9","3","","","10.1107/S2414314624002074","","","0.71073","MoKα","","0.0993","0.0525","","","0.0886","0.1094","","","","","","1.077","","","","has coordinates","290479","2024-03-13","03:23:06",""
"1571245","9.3848","0.0002","11.5366","0.0003","14.8861","0.0004","79.747","0.001","83.521","0.001","72.5","0.001","1509.53","0.07","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H23 Br Cl3 N2 O2 P -","- C32 H23 Br Cl3 N2 O2 P -","- C64 H46 Br2 Cl6 N4 O4 P2 -","2","1","","Xu, Shengbo; Mi, Ruijie; Zheng, Guangfan; Li, Xingwei","Cobalt- or rhodium-catalyzed synthesis of 1,2-dihydrophosphete oxides <i>via</i> C-H activation and formal phosphoryl migration.","Chemical science","2024","15","16","6012","6021","10.1039/d4sc00649f","","","0.71073","MoKα","","0.0351","0.0292","","","0.0758","0.0798","","","","","","1.022","","","","has coordinates","291568","2024-05-05","01:39:56",""
"1571246","9.3078","0.0002","12.9452","0.0003","13.3909","0.0003","83.589","0.001","79.897","0.001","69.502","0.001","1485.68","0.06","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H26 Cl2 N3 O3 P -","- C32 H26 Cl2 N3 O3 P -","- C64 H52 Cl4 N6 O6 P2 -","2","1","","Xu, Shengbo; Mi, Ruijie; Zheng, Guangfan; Li, Xingwei","Cobalt- or rhodium-catalyzed synthesis of 1,2-dihydrophosphete oxides <i>via</i> C-H activation and formal phosphoryl migration.","Chemical science","2024","15","16","6012","6021","10.1039/d4sc00649f","","","0.71073","MoKα","","0.0553","0.0459","","","0.1132","0.1222","","","","","","1.046","","","","has coordinates,has disorder","291568","2024-05-05","01:40:01",""
"1571247","8.1586","0.0003","21.503","0.0008","8.6653","0.0003","90","","95.275","0.003","90","","1513.75","0.1","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17.36 H22.73 N2 O -","- C17.37 H22.74 N2 O -","- C69.48 H90.96 N8 O4 -","4","1","","Ma, Foqing; Li, Yunlong; Akkarasereenon, Kornkamon; Qiu, Huiying; Cheung, Yuen Tsz; Guo, Zhihong; Tong, Rongbiao","Aza-Achmatowicz rearrangement coupled with intermolecular aza-Friedel-Crafts enables total syntheses of uleine and aspidosperma alkaloids.","Chemical science","2024","15","15","5730","5737","10.1039/d4sc00601a","","x-ray","1.54184","CuKα","","0.07","0.054","","","0.1389","0.1506","","","","","","1.03","","","","has coordinates,has disorder","291578","2024-05-05","01:54:32",""
"1571248","8.9869","0.0006","9.3453","0.0005","11.174","0.0006","83.313","0.005","81.185","0.005","61.479","0.006","813.81","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N2 O3 -","- C18 H22 N2 O3 -","- C36 H44 N4 O6 -","2","1","","Ma, Foqing; Li, Yunlong; Akkarasereenon, Kornkamon; Qiu, Huiying; Cheung, Yuen Tsz; Guo, Zhihong; Tong, Rongbiao","Aza-Achmatowicz rearrangement coupled with intermolecular aza-Friedel-Crafts enables total syntheses of uleine and aspidosperma alkaloids.","Chemical science","2024","15","15","5730","5737","10.1039/d4sc00601a","","x-ray","1.54184","CuKα","","0.0393","0.0346","","","0.0866","0.0907","","","","","","1.035","","","","has coordinates","291578","2024-05-05","01:54:36",""
"1571249","10.539","0.002","10.9798","0.0018","11.7826","0.0015","92.457","0.009","108.816","0.004","103.145","0.004","1246.7","0.4","102","","102","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27 N4 O P -","- C29 H27 N4 O P -","- C58 H54 N8 O2 P2 -","2","1","","Kopp, Richard O.; Kleynemeyer, Sabrina L.; Groth, Lucie J.; Ernst, Moritz J.; Rupf, Susanne M.; Weber, Manuela; Kershaw Cook, Laurence J.; Coles, Nathan T.; Neale, Samuel E.; Müller, Christian","Highly selective, reversible water activation by P,N-cooperativity in pyridyl-functionalized phosphinines.","Chemical science","2024","15","15","5496","5506","10.1039/d3sc05930h","","","0.71073","MoKα","","0.0544","0.0454","","","0.103","0.1073","","","","","","1.067","","","","has coordinates","291581","2024-05-05","01:56:08",""
"1571250","6.0233","0.0002","7.6255","0.0002","21.2045","0.0006","90","","93.2936","0.0009","90","","972.33","0.05","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 N4 P -","- C25 H17 N4 P -","- C50 H34 N8 P2 -","2","0.5","","Kopp, Richard O.; Kleynemeyer, Sabrina L.; Groth, Lucie J.; Ernst, Moritz J.; Rupf, Susanne M.; Weber, Manuela; Kershaw Cook, Laurence J.; Coles, Nathan T.; Neale, Samuel E.; Müller, Christian","Highly selective, reversible water activation by P,N-cooperativity in pyridyl-functionalized phosphinines.","Chemical science","2024","15","15","5496","5506","10.1039/d3sc05930h","","","0.71073","MoKα","","0.0593","0.0591","","","0.1348","0.135","","","","","","1.299","","","","has coordinates,has disorder","291581","2024-05-05","01:56:15",""
"1571251","6.0439","0.0002","10.8817","0.0005","11.4035","0.0005","102.992","0.002","95.821","0.001","93.214","0.001","724.61","0.05","150","","150","","","","","","","","","4","P -1","-P 1","2","","6,6',6'',6'''-(phosphinine-2,3,5,6-tetrayl)tetrakis(3-methylpyridine) toluene solvate","","- C36 H33 N4 P -","- C36 H33 N4 P -","- C36 H33 N4 P -","1","0.5","","Kopp, Richard O.; Kleynemeyer, Sabrina L.; Groth, Lucie J.; Ernst, Moritz J.; Rupf, Susanne M.; Weber, Manuela; Kershaw Cook, Laurence J.; Coles, Nathan T.; Neale, Samuel E.; Müller, Christian","Highly selective, reversible water activation by P,N-cooperativity in pyridyl-functionalized phosphinines.","Chemical science","2024","15","15","5496","5506","10.1039/d3sc05930h","","","0.71073","MoKα","","0.0782","0.0735","","","0.1536","0.1556","","","","","","1.277","","","","has coordinates,has disorder","291581","2024-05-05","01:56:15",""
"1571252","22.4512","0.0008","22.4512","0.0008","10.3077","0.0005","90","","90","","90","","5195.7","0.4","150","","150","","","","","","","","","7","I -4","I -4","82","","","","- C103.44 H78.88 Cl6.88 Li4 N16 O4 P4 -","- C103.44 H78.88 Cl6.88 Li4 N16 O4 P4 -","- C206.88 H157.76 Cl13.76 Li8 N32 O8 P8 -","2","0.25","","Kopp, Richard O.; Kleynemeyer, Sabrina L.; Groth, Lucie J.; Ernst, Moritz J.; Rupf, Susanne M.; Weber, Manuela; Kershaw Cook, Laurence J.; Coles, Nathan T.; Neale, Samuel E.; Müller, Christian","Highly selective, reversible water activation by P,N-cooperativity in pyridyl-functionalized phosphinines.","Chemical science","2024","15","15","5496","5506","10.1039/d3sc05930h","","x-ray","1.54178","CuKα","","0.067","0.0505","","","0.1201","0.13","","","","","","1.045","","","","has coordinates,has disorder","291581","2024-05-05","01:56:15",""
"1571253","8.4144","0.0005","9.2664","0.0005","14.4244","0.001","90","","103.942","0.002","90","","1091.55","0.12","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,2-bis(5-methylpyridin-2-yl)ethyne","","- C14 H12 N2 -","- C14 H12 N2 -","- C56 H48 N8 -","4","0.5","","Kopp, Richard O.; Kleynemeyer, Sabrina L.; Groth, Lucie J.; Ernst, Moritz J.; Rupf, Susanne M.; Weber, Manuela; Kershaw Cook, Laurence J.; Coles, Nathan T.; Neale, Samuel E.; Müller, Christian","Highly selective, reversible water activation by P,N-cooperativity in pyridyl-functionalized phosphinines.","Chemical science","2024","15","15","5496","5506","10.1039/d3sc05930h","","x-ray","0.71073","MoKα","","0.1081","0.0718","","","0.198","0.2543","","","","","","1.058","","","","has coordinates,has disorder","291581","2024-05-05","01:56:15",""
"1571254","19.1051","0.0008","17.5837","0.0007","19.9459","0.0007","90","","99.885","0.001","90","","6601.1","0.4","105","","105","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C59 H52 Cl2 Cu4 I4 N8 P2 -","- C58 H50 Cu4 I4 N8 P2 -","- C232 H200 Cu16 I16 N32 P8 -","4","1","","Kopp, Richard O.; Kleynemeyer, Sabrina L.; Groth, Lucie J.; Ernst, Moritz J.; Rupf, Susanne M.; Weber, Manuela; Kershaw Cook, Laurence J.; Coles, Nathan T.; Neale, Samuel E.; Müller, Christian","Highly selective, reversible water activation by P,N-cooperativity in pyridyl-functionalized phosphinines.","Chemical science","2024","15","15","5496","5506","10.1039/d3sc05930h","","","0.71073","MoKα","","0.0604","0.0391","","","0.0762","0.094","","","","","","1.148","","","","has coordinates","291581","2024-05-05","01:56:15",""
"1571255","13.4985","0.0008","16.3402","0.0011","8.5914","0.0004","90","","99.883","0.005","90","","1866.87","0.19","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Br N3 O2 -","- C20 H18 Br N3 O2 -","- C80 H72 Br4 N12 O8 -","4","1","","Vijayakumar, Monica; Yhobu, Zhoveta; Małecki, Jan Grzegorz; Nagaraju, Dodahhali H.; Keri, Rangappa S.; Budagumpi, Srinivasa","Comprehensive enhancement in electrocatalytic oxygen evolution performance of nickel and cobalt complexes derived from π-conjugated N-heterocyclic carbene ligands through carbon composite strategy","Catalysis Science & Technology","2024","14","9","2489","2502","10.1039/D3CY01732J","","x-ray","0.71073","MoKα","","0.1038","0.0518","","","0.0995","0.1182","","","","","","1.039","","","","has coordinates","292758","2024-07-05","12:59:01",""
"1571256","10.7857","0.0016","14.519","0.002","11.7467","0.0018","90","","103.727","0.015","90","","1787","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Br N3 O2 -","- C20 H18 Br N3 O2 -","- C80 H72 Br4 N12 O8 -","4","1","","Vijayakumar, Monica; Yhobu, Zhoveta; Małecki, Jan Grzegorz; Nagaraju, Dodahhali H.; Keri, Rangappa S.; Budagumpi, Srinivasa","Comprehensive enhancement in electrocatalytic oxygen evolution performance of nickel and cobalt complexes derived from π-conjugated N-heterocyclic carbene ligands through carbon composite strategy","Catalysis Science & Technology","2024","14","9","2489","2502","10.1039/D3CY01732J","","x-ray","0.71073","MoKα","","0.1052","0.0525","","","0.1102","0.1385","","","","","","0.973","","","","has coordinates","292758","2024-07-05","12:59:02",""
"1571257","12.4142","0.0013","15.1667","0.0013","18.9994","0.0018","90","","92.258","0.004","90","","3574.5","0.6","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H43 N3 P2 -","- C43 H43 N3 P2 -","- C172 H172 N12 P8 -","4","1","","Coburger, Peter; Buzanich, Ana Guilherme; Emmerling, Franziska; Abbenseth, Josh","Combining geometric constraint and redox non-innocence within an ambiphilic PBiP pincer ligand.","Chemical science","2024","15","16","6036","6043","10.1039/d4sc00197d","","","0.71073","MoKα","","0.0454","0.0393","","","0.1027","0.1075","","","","","","1.0422","","","","has coordinates","291573","2024-05-05","01:45:41",""
"1571258","10.9439","0.0007","21.0052","0.001","21.9721","0.0012","92.01","0.002","101.049","0.002","103.267","0.002","4808.4","0.5","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C53 H48 Bi N3 O3 P2 W -","- C46 H40 Bi N3 O3 P2 W -","- C184 H160 Bi4 N12 O12 P8 W4 -","4","2","","Coburger, Peter; Buzanich, Ana Guilherme; Emmerling, Franziska; Abbenseth, Josh","Combining geometric constraint and redox non-innocence within an ambiphilic PBiP pincer ligand.","Chemical science","2024","15","16","6036","6043","10.1039/d4sc00197d","","","0.71073","MoKα","","0.0908","0.0514","","","0.1137","0.1332","","","","","","0.9746","","","","has coordinates","291573","2024-05-05","01:45:46",""
"1571259","12.5454","0.001","14.8524","0.0015","20.97","0.002","72.803","0.004","83.022","0.003","86.907","0.003","3704.3","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H40 Bi N3 P2 -","- C43 H40 Bi N3 P2 -","- C172 H160 Bi4 N12 P8 -","4","2","","Coburger, Peter; Buzanich, Ana Guilherme; Emmerling, Franziska; Abbenseth, Josh","Combining geometric constraint and redox non-innocence within an ambiphilic PBiP pincer ligand.","Chemical science","2024","15","16","6036","6043","10.1039/d4sc00197d","","","0.71073","MoKα","","0.0587","0.0367","","","0.0771","0.087","","","","","","1.0131","","","","has coordinates","291573","2024-05-05","01:45:46",""
"1571260","11.8543","0.0004","22.0339","0.0008","17.7751","0.0007","90","","102.638","0.001","90","","4530.3","0.3","173","2","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H36 Br2 N6 Ni -","- C50 H36 Br2 N6 Ni -","- C200 H144 Br8 N24 Ni4 -","4","1","","Yang, Jingshuang; Chi, Yue; Zhang, Yuxing; Jian, Zhongbao","An aza-cyclophane supported macrocyclic α-diimine nickel catalyst for ethylene polymerization","Polymer Chemistry","2024","15","15","1530","1535","10.1039/D3PY01402A","","","0.71073","MoKα","","0.1139","0.0523","","","0.1145","0.1376","","","","","","1.021","","","","has coordinates","291702","2024-05-05","04:14:27",""
"1571261","7.8263","0.0004","11.618","0.0006","28.9031","0.0015","90","","90","","90","","2628","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H31 N3 O -","- C33 H31 N3 O -","- C132 H124 N12 O4 -","4","1","","Dai, Lei; Zhou, Xueting; Guo, Jiami; Huang, Qingqin; Lu, Yixin","Copper-catalyzed atroposelective synthesis of C-O axially chiral compounds enabled by chiral 1,8-naphthyridine based ligands.","Chemical science","2024","15","16","5993","6001","10.1039/d4sc01074d","","","1.54178","CuKα","","0.0252","0.0251","","","0.0637","0.0639","","","","","","1.067","","","","has coordinates","291569","2024-05-05","01:40:33",""
"1571262","13.1931","","13.214","","6.213","","90","","90","","90","","1083.14","","100","","100","","","","","","","","","4","I b a m","-I 2 2c","72","1-methyluracil","","","- C5 H6 N2 O2 -","- C5 H6 N2 O2 -","- C40 H48 N16 O16 -","8","0.5","OF5004","Olech, Barbara; Brázda, Petr; Palatinus, Lukas; Dominiak, Paulina Maria","Dynamical refinement with multipolar electron scattering factors.","IUCrJ","2024","11","3","","","10.1107/S2052252524001763","","electron","0.0251","electron","","0.1355","0.0953","","","0.1001","0.1032","","","","0","0","2.8854","","","","has coordinates","290612","2024-03-23","03:14:56",""
"1571263","13.1931","","13.214","","6.213","","90","","90","","90","","1083.14","","100","","100","","","","","","","","","4","I b a m","-I 2 2c","72","1-methyluracil","","","- C5 H6 N2 O2 -","- C5 H6 N2 O2 -","- C40 H48 N16 O16 -","8","0.5","OF5004","Olech, Barbara; Brázda, Petr; Palatinus, Lukas; Dominiak, Paulina Maria","Dynamical refinement with multipolar electron scattering factors.","IUCrJ","2024","11","3","","","10.1107/S2052252524001763","","electron","0.0251","electron","","0.1273","0.0892","","","0.0959","0.0988","","","","0","0","2.76","","","","has coordinates","290612","2024-03-23","03:14:57",""
"1571264","13.1931","","13.214","","6.213","","90","","90","","90","","1083.14","","100","","100","","","","","","","","","4","I b a m","-I 2 2c","72","1-methyluracil","","","- C5 H6 N2 O2 -","- C5 H6 N2 O2 -","- C40 H48 N16 O16 -","8","0.5","OF5004","Olech, Barbara; Brázda, Petr; Palatinus, Lukas; Dominiak, Paulina Maria","Dynamical refinement with multipolar electron scattering factors.","IUCrJ","2024","11","3","","","10.1107/S2052252524001763","","electron","0.0251","electron","","0.1257","0.0875","","","0.094","0.097","","","","0","0","2.7109","","","","has coordinates","290612","2024-03-23","03:14:57",""
"1571265","6.7236","0.0005","7.2935","0.0005","16.1649","0.0011","77.57","0.006","80.354","0.005","89.412","0.006","762.9","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","{<i>N</i>-[1-(2-Oxidophenyl)ethylidene]-<i>DL</i>-alaninato}(pentane-1,5-diyl)silicon(IV)","","- C16 H21 N O3 Si -","- C16 H21 N O3 Si -","- C32 H42 N2 O6 Si2 -","2","1","TK4102","Böhme, Uwe; Fels, Sabine","{N-[1-(2-Oxidophenyl)ethylidene]-DL-alaninato}(pentane-1,5-diyl)silicon(IV)","IUCrData","2024","9","3","","","10.1107/S2414314624002281","","","0.71073","MoKα","","0.0563","0.0418","","","0.0982","0.1066","","","","","","1.098","","","","has coordinates,has disorder","290613","2024-03-23","03:19:03",""
"1571266","10.3048","0.0002","24.114","0.0006","12.6416","0.0004","90","","100.911","0.003","90","","3084.52","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[(μ-2,3-diethyl-7,8-dimethylquinoxaline-κ^2^<i>N</i>:<i>N</i>)(2,3-diethyl-7,8-dimethylquinoxaline-κ<i>N</i>)-μ-nitrato-κ^2^<i>O</i>:<i>O</i>'-nitrato-κ^2^<i>O</i>,<i>O</i>'-disilver(I)]","","- C28 H36 Ag2 N6 O6 -","- C28 H36 Ag2 N6 O6 -","- C112 H144 Ag8 N24 O24 -","4","1","ZL4069","Crundwell, Guy; Leeds, Ashley","Poly[(μ-2,3-diethyl-7,8-dimethylquinoxaline-κ2 N:N)(2,3-diethyl-7,8-dimethylquinoxaline-κN)-μ-nitrato-κ2 O:O′-nitrato-κ2 O,O′-disilver(I)]","IUCrData","2024","9","3","","","10.1107/S2414314624002475","","x-ray","0.71073","MoKα","","0.0793","0.0387","","","0.0798","0.0956","","","","","","1.003","","","","has coordinates,has disorder","290614","2024-03-23","03:19:17",""
"1571267","6.2497","0.0002","13.8633","0.0006","14.6254","0.0005","90","","90","","90","","1267.17","0.08","295","1","295","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl <i>N</i>-{(1<i>R</i>)-2-[(methoxycarbonyl)oxy]-1-phenylethyl}carbamate","","- C12 H15 N O5 -","- C12 H15 N O5 -","- C48 H60 N4 O20 -","4","1","HB4464","Mendoza Herrera, María del Consuelo; Sampedro Cruz, Mario; Pérez Díaz, Lydia María; Rivera Márquez, José Antonio; Orea Flores, Laura; Bernès, Sylvain","Methyl N-{(1R)-2-[(methoxycarbonyl)oxy]-1-phenylethyl}carbamate","IUCrData","2024","9","3","","","10.1107/S2414314624002220","","x-ray","0.71073","MoKα","","0.0667","0.0464","","","0.1072","0.1183","","","","","","1.026","","","","has coordinates","290615","2024-03-23","03:19:31",""
"1571268","7.6288","0.0003","8.753","0.0004","9.3794","0.0004","90.707","0.004","106.138","0.004","114.285","0.005","542.62","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-Dibromidotetrakis(5-methyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)\ manganese(II)","","- C16 H24 Br2 Mn N8 -","- C16 H24 Br2 Mn N8 -","- C16 H24 Br2 Mn N8 -","1","0.5","ZL4064","Athan, Manikumar; Krishnan, Soundararajan; Loganathan, Nagarajan","trans-Dibromidotetrakis(5-methyl-1H-pyrazole-κN 2)manganese(II)","IUCrData","2024","9","3","","","10.1107/S2414314624002372","","","0.71073","MoKα","","0.0462","0.0318","","","0.061","0.064","","","","","","1.037","","","","has coordinates","290616","2024-03-23","03:19:42",""
"1571269","6.7949","0.0002","6.9491","0.0002","16.708","0.0008","89.525","0.003","82.547","0.003","82.347","0.003","775.26","0.05","125","","125","","","","","","","","","6","P -1","-P 1","2","","4-Fluorobenzyl (<i>Z</i>)-2-(2-oxoindolin-3-ylidene)hydrazine-1-carbodithioate","","- C16 H12 F N3 O S2 -","- C16 H12 F N3 O S2 -","- C32 H24 F2 N6 O2 S4 -","2","1","HB4466","Abdul Manan, Mohd Abdul Fatah; Cordes, David B.; McKay, Aidan P.","4-Fluorobenzyl (Z)-2-(2-oxoindolin-3-ylidene)hydrazine-1-carbodithioate","IUCrData","2024","9","3","","","10.1107/S2414314624002359","","x-ray","1.54184","CuKα","","0.131","0.1056","","","0.2397","0.268","","","","","","1.003","","","","has coordinates","290617","2024-03-23","03:20:02",""
"1571270","7.5425","0.0003","17.6838","0.0009","18.892","0.0011","90","","90","","90","","2519.8","0.2","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-Ferrocenyl-2-[(2-ferrocenylethenyl)(morpholin-4-yl)methyl]-1,3-dithiolane","","- C29 H31 Fe2 N O S2 -","- C29 H31 Fe2 N O S2 -","- C116 H124 Fe8 N4 O4 S8 -","4","1","TK4101","Oliva-Colunga, Claudia; Sánchez García, Jessica J.; Flores-Alamo, Marcos; Klimova, Elena I.","2-Ferrocenyl-2-[(2-ferrocenylethenyl)(morpholin-4-yl)methyl]-1,3-dithiolane","IUCrData","2024","9","3","","","10.1107/S2414314624002347","","","0.71073","MoKα","","0.0631","0.0555","","","0.1274","0.1386","","","","","","1.056","","","","has coordinates,has disorder","290618","2024-03-23","03:20:18",""
"1571271","21.2076","0.0005","21.2076","0.0005","7.7012","0.0002","90","","90","","120","","2999.66","0.13","298","0.1","298","0.1","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C17 H8 F6 O4 Zn -","- C17 H8 F6 O4 Zn -","- C102 H48 F36 O24 Zn6 -","6","0.5","","Whitehead, Bevan S.; Brennessel, William W.; Michtavy, Shane S.; Silva, Hope A.; Kim, Jaehwan; Milner, Phillip J.; Porosoff, Marc D.; Barnett, Brandon R.","Selective adsorption of fluorinated super greenhouse gases within a metal-organic framework with dynamic corrugated ultramicropores.","Chemical science","2024","15","16","5964","5972","10.1039/d3sc07007g","","x-ray","1.54184","CuKα","","0.0627","0.0383","","","0.0775","0.0887","","","","","","1.081","","","","has coordinates","291572","2024-05-05","01:42:59",""
"1571272","21.2035","0.0005","21.2035","0.0005","7.6959","0.0002","90","","90","","120","","2996.44","0.13","298","0.1","298","0.1","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C17 H8 F6 O4 Zn -","- C17 H8 F6 O4 Zn -","- C102 H48 F36 O24 Zn6 -","6","0.5","","Whitehead, Bevan S.; Brennessel, William W.; Michtavy, Shane S.; Silva, Hope A.; Kim, Jaehwan; Milner, Phillip J.; Porosoff, Marc D.; Barnett, Brandon R.","Selective adsorption of fluorinated super greenhouse gases within a metal-organic framework with dynamic corrugated ultramicropores.","Chemical science","2024","15","16","5964","5972","10.1039/d3sc07007g","","x-ray","1.54184","CuKα","","0.0598","0.0399","","","0.0942","0.1032","","","","","","1.024","","","","has coordinates","291572","2024-05-05","01:43:06",""
"1571273","21.2057","0.0007","21.2057","0.0007","7.6878","0.0002","90","","90","","120","","2993.9","0.16","249.99","0.1","249.99","0.1","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C17 H8 F6 O4 Zn -","- C17 H8 F6 O4 Zn -","- C102 H48 F36 O24 Zn6 -","6","0.5","","Whitehead, Bevan S.; Brennessel, William W.; Michtavy, Shane S.; Silva, Hope A.; Kim, Jaehwan; Milner, Phillip J.; Porosoff, Marc D.; Barnett, Brandon R.","Selective adsorption of fluorinated super greenhouse gases within a metal-organic framework with dynamic corrugated ultramicropores.","Chemical science","2024","15","16","5964","5972","10.1039/d3sc07007g","","x-ray","1.54184","CuKα","","0.0592","0.0368","","","0.0806","0.0886","","","","","","1.017","","","","has coordinates","291572","2024-05-05","01:43:06",""
"1571274","21.2065","0.0006","21.2065","0.0006","7.6905","0.0003","90","","90","","120","","2995.18","0.17","250","0.1","250","0.1","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C17 H8 F6 O4 Zn -","- C17 H8 F6 O4 Zn -","- C102 H48 F36 O24 Zn6 -","6","0.5","","Whitehead, Bevan S.; Brennessel, William W.; Michtavy, Shane S.; Silva, Hope A.; Kim, Jaehwan; Milner, Phillip J.; Porosoff, Marc D.; Barnett, Brandon R.","Selective adsorption of fluorinated super greenhouse gases within a metal-organic framework with dynamic corrugated ultramicropores.","Chemical science","2024","15","16","5964","5972","10.1039/d3sc07007g","","x-ray","1.54184","CuKα","","0.1044","0.0547","","","0.1368","0.1783","","","","","","1.047","","","","has coordinates","291572","2024-05-05","01:43:06",""
"1571275","21.2008","0.0006","21.2008","0.0006","7.6911","0.0002","90","","90","","120","","2993.81","0.14","272.99","0.1","272.99","0.1","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C17 H8 F6 O4 Zn -","- C17 H8 F6 O4 Zn -","- C102 H48 F36 O24 Zn6 -","6","0.5","","Whitehead, Bevan S.; Brennessel, William W.; Michtavy, Shane S.; Silva, Hope A.; Kim, Jaehwan; Milner, Phillip J.; Porosoff, Marc D.; Barnett, Brandon R.","Selective adsorption of fluorinated super greenhouse gases within a metal-organic framework with dynamic corrugated ultramicropores.","Chemical science","2024","15","16","5964","5972","10.1039/d3sc07007g","","x-ray","1.54184","CuKα","","0.0519","0.0344","","","0.0763","0.082","","","","","","1.055","","","","has coordinates","291572","2024-05-05","01:43:06",""
"1571276","8.8939","0.0005","10.6953","0.0007","11.302","0.0008","109.349","0.002","98.738","0.002","98.497","0.002","979.7","0.11","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H13 F3 N2 O6 S3 -","- C16 H13 F3 N2 O6 S3 -","- C32 H26 F6 N4 O12 S6 -","2","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.0298","0.0279","","","0.0789","0.0806","","","","","","1.036","","","","has coordinates,has disorder","291570","2024-05-05","01:41:25",""
"1571277","11.2326","0.0006","18.0655","0.0009","14.1136","0.0004","90","","101.844","0.001","90","","2803","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 F6 O3.5 S2 -","- C31 H25 F6 O3.5 S2 -","- C124 H100 F24 O14 S8 -","4","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.0375","0.0343","","","0.0893","0.0919","","","","","","1.038","","","","has coordinates,has disorder","291570","2024-05-05","01:41:35",""
"1571278","10.6503","0.0016","11.1577","0.0017","12.0098","0.0018","109.986","0.004","98.765","0.004","97.218","0.005","1301.1","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 F4 N2 O5 S2 -","- C25 H22 F4 N2 O5 S2 -","- C50 H44 F8 N4 O10 S4 -","2","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.0368","0.0332","","","0.0901","0.0934","","","","","","1.036","","","","has coordinates","291570","2024-05-05","01:41:36",""
"1571279","10.5731","0.0018","13.509","0.002","18.976","0.003","103.841","0.005","96.946","0.004","107.996","0.005","2446.6","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H39 F6 N5 O9 S4 -","- C46 H36 F6 N4 O9 S4 -","- C92 H72 F12 N8 O18 S8 -","2","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.0578","0.0449","","","0.1169","0.123","","","","","","1.146","","","","has coordinates,has disorder","291570","2024-05-05","01:41:36",""
"1571280","10.7059","0.0007","16.869","0.0007","12.6192","0.0008","90","","106.941","0.002","90","","2180.1","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 B F4 O2 S -","- C23 H25 B F4 O2 S -","- C92 H100 B4 F16 O8 S4 -","4","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.0311","0.0296","","","0.0823","0.0837","","","","","","1.031","","","","has coordinates,has disorder","291570","2024-05-05","01:41:36",""
"1571281","9.7055","0.0006","11.9141","0.0009","12.9664","0.001","79.46","0.002","68.373","0.002","70.766","0.002","1312.75","0.16","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H23 B F7 N S -","- C30 H23 B F7 N S -","- C60 H46 B2 F14 N2 S2 -","2","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.0434","0.0399","","","0.1085","0.1116","","","","","","1.046","","","","has coordinates","291570","2024-05-05","01:41:36",""
"1571282","11.2625","0.0015","11.5958","0.0016","12.8133","0.0018","108.624","0.004","94.05","0.004","114.412","0.004","1403.6","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H19 Cl4 F3 N2 O4 S2 -","- C24 H19 Cl4 F3 N2 O4 S2 -","- C48 H38 Cl8 F6 N4 O8 S4 -","2","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.0421","0.0387","","","0.1094","0.1132","","","","","","1.043","","","","has coordinates","291570","2024-05-05","01:41:36",""
"1571283","8.945","0.002","9.215","0.003","14.225","0.004","97.773","0.008","102.84","0.008","111.165","0.008","1035.7","0.5","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H20 O S -","- C29 H20 O S -","- C58 H40 O2 S2 -","2","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.0498","0.0426","","","0.1143","0.1197","","","","","","1.089","","","","has coordinates,has disorder","291570","2024-05-05","01:41:36",""
"1571284","9.4954","0.0008","11.2014","0.0012","11.5541","0.0011","72.592","0.003","87.789","0.003","68.141","0.003","1084.64","0.18","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22 O S -","- C30 H22 O S -","- C60 H44 O2 S2 -","2","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.0427","0.0378","","","0.1017","0.1061","","","","","","1.037","","","","has coordinates","291570","2024-05-05","01:41:36",""
"1571285","8.946","0.002","10.892","0.003","12.669","0.004","95.044","0.007","109.263","0.011","93.731","0.009","1155","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 B F7 O2 S -","- C26 H20 B F6.9991 O2 S -","- C52 H40 B2 F13.9982 O4 S2 -","2","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.0447","0.0375","","","0.0947","0.1006","","","","","","1.028","","","","has coordinates,has disorder","291570","2024-05-05","01:41:36",""
"1571286","7.4771","0.0006","9.2628","0.0008","15.6995","0.0014","75.56","0.003","84.91","0.004","85.28","0.005","1046.79","0.16","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H25 B F4 O2 S -","- C23 H25 B F4 O2 S -","- C46 H50 B2 F8 O4 S2 -","2","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.0447","0.0394","","","0.1007","0.1053","","","","","","1.058","","","","has coordinates,has disorder","291570","2024-05-05","01:41:36",""
"1571287","12.1265","0.0005","11.7452","0.0005","19.7744","0.0009","90","","106.223","0.002","90","","2704.3","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H25 F3 O5 S2 -","- C31 H25 F3 O5 S2 -","- C124 H100 F12 O20 S8 -","4","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.036","0.0341","","","0.095","0.0966","","","","","","1.057","","","","has coordinates","291570","2024-05-05","01:41:36",""
"1571288","8.9043","0.001","11.4746","0.0013","12.294","0.0012","92.737","0.003","99.024","0.003","111.462","0.003","1147","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C25 H20 B Br F4 O2 S -","- C25 H20 B Br F4 O2 S -","- C50 H40 B2 Br2 F8 O4 S2 -","2","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.0337","0.0285","","","0.07","0.0729","","","","","","1.022","","","","has coordinates","291570","2024-05-05","01:41:36",""
"1571289","9.3811","0.0006","10.8726","0.0011","12.1464","0.001","63.826","0.002","68.524","0.004","80.59","0.002","1034.66","0.15","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 B F7 S -","- C23 H16 B F7 S -","- C46 H32 B2 F14 S2 -","2","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.0433","0.0403","","","0.111","0.1133","","","","","","1.085","","","","has coordinates,has disorder","291570","2024-05-05","01:41:36",""
"1571290","6.8498","0.0016","9.93","0.002","15.949","0.004","78.205","0.008","88.999","0.01","81.864","0.011","1051.2","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H15 F3 O4 S2 -","- C22 H15 F3 O4 S2 -","- C44 H30 F6 O8 S4 -","2","1","","Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel","Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.","Chemical science","2024","15","16","5938","5943","10.1039/d4sc01138d","","x-ray","0.71073","MoKα","","0.0479","0.0399","","","0.0982","0.1042","","","","","","1.026","","","","has coordinates","291570","2024-05-05","01:41:36",""
"1571291","15.2188","0.0005","19.6877","0.0007","20.5242","0.0006","65.104","0.003","85.72","0.003","69.053","0.003","5188.5","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C94 H110 N2 Na2 O12 S8 Zr2 -","- C94 H110 N2 Na2 O12 S8 Zr2 -","- C188 H220 N4 Na4 O24 S16 Zr4 -","2","1","","Li, Liang-Jun; Mu, Wen-Lei; Tian, Yi-Qi; Yu, Wei-Dong; Li, Lan-Yan; Yan, Jun; Liu, Chao","Ag<sup>1+</sup> incorporation <i>via</i> a Zr<sup>4+</sup>-anchored metalloligand: fine-tuning catalytic Ag sites in Zr/Ag bimetallic clusters for enhanced eCO<sub>2</sub>RR-to-CO activity.","Chemical science","2024","15","20","7643","7650","10.1039/d3sc07005k","","x-ray","1.54184","CuKα","","0.0633","0.0502","","","0.126","0.1372","","","","","","1.013","","","","has coordinates,has disorder","292907","2024-07-05","15:02:49",""
"1571292","26.4396","0.0002","12.2954","0.00011","32.4346","0.0003","90","","90","","90","","10544","0.16","150","","150","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C100 H122 Ag2 N4 O14 S8 Zr2 -","- C100 H122 Ag2 N4 O14 S8 Zr2 -","- C400 H488 Ag8 N16 O56 S32 Zr8 -","4","0.5","","Li, Liang-Jun; Mu, Wen-Lei; Tian, Yi-Qi; Yu, Wei-Dong; Li, Lan-Yan; Yan, Jun; Liu, Chao","Ag<sup>1+</sup> incorporation <i>via</i> a Zr<sup>4+</sup>-anchored metalloligand: fine-tuning catalytic Ag sites in Zr/Ag bimetallic clusters for enhanced eCO<sub>2</sub>RR-to-CO activity.","Chemical science","2024","15","20","7643","7650","10.1039/d3sc07005k","","x-ray","1.54184","CuKα","","0.0418","0.0354","","","0.0915","0.0957","","","","","","1.028","","","","has coordinates,has disorder","292907","2024-07-05","15:02:50",""
"1571293","21.2954","0.0004","42.655","0.0009","26.1848","0.0005","90","","109.152","0.002","90","","22468.6","0.8","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C174 H184 Ag6 O22 S16 Zr2 -","- C174 H184 Ag6 O22 S16 Zr2 -","- C696 H736 Ag24 O88 S64 Zr8 -","4","1","","Li, Liang-Jun; Mu, Wen-Lei; Tian, Yi-Qi; Yu, Wei-Dong; Li, Lan-Yan; Yan, Jun; Liu, Chao","Ag<sup>1+</sup> incorporation <i>via</i> a Zr<sup>4+</sup>-anchored metalloligand: fine-tuning catalytic Ag sites in Zr/Ag bimetallic clusters for enhanced eCO<sub>2</sub>RR-to-CO activity.","Chemical science","2024","15","20","7643","7650","10.1039/d3sc07005k","","x-ray","1.34139","GaKα","","0.1801","0.1535","","","0.3093","0.3258","","","","","","1.174","","","","has coordinates,has disorder","292907","2024-07-05","15:02:51",""
"1571294","19.50529","0.00011","36.9188","0.0002","32.66914","0.00016","90","","98.6186","0.0005","90","","23259.8","0.2","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C197 H228 Ag7 N4 O25 S16 Zr2 -","- C197 H228 Ag7 N4 O25 S16 Zr2 -","- C788 H912 Ag28 N16 O100 S64 Zr8 -","4","1","","Li, Liang-Jun; Mu, Wen-Lei; Tian, Yi-Qi; Yu, Wei-Dong; Li, Lan-Yan; Yan, Jun; Liu, Chao","Ag<sup>1+</sup> incorporation <i>via</i> a Zr<sup>4+</sup>-anchored metalloligand: fine-tuning catalytic Ag sites in Zr/Ag bimetallic clusters for enhanced eCO<sub>2</sub>RR-to-CO activity.","Chemical science","2024","15","20","7643","7650","10.1039/d3sc07005k","","x-ray","1.54184","CuKα","","0.0845","0.0672","","","0.1835","0.1947","","","","","","1.074","","","","has coordinates,has disorder","292907","2024-07-05","15:02:59",""
"1571295","29.9395","0.0003","27.5788","0.0003","7.07968","0.00009","90","","90","","90","","5845.66","0.11","100","","100","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C17 H15.25 F N2 O2.125 -","- C17 H15.25 F N2 O2.125 -","- C272 H244 F16 N32 O34 -","16","1","","Venkatesh, Yarra; Marotta, Nicholas P.; Lee, Virginia M.-Y.; Petersson, E. James","Highly tunable bimane-based fluorescent probes: design, synthesis, and application as a selective amyloid binding dye.","Chemical science","2024","15","16","6053","6063","10.1039/d4sc00024b","","x-ray","1.54184","CuKα","","0.0369","0.0365","","","0.0978","0.0982","","","","","","1.087","","","","has coordinates","291566","2024-05-05","01:38:03",""
"1571296","3.85501","0.00008","13.319","0.0003","14.7962","0.0003","90","","94.88","0.002","90","","756.96","0.03","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 N3 O4 -","- C17 H15 N3 O4 -","- C34 H30 N6 O8 -","2","1","","Venkatesh, Yarra; Marotta, Nicholas P.; Lee, Virginia M.-Y.; Petersson, E. James","Highly tunable bimane-based fluorescent probes: design, synthesis, and application as a selective amyloid binding dye.","Chemical science","2024","15","16","6053","6063","10.1039/d4sc00024b","","x-ray","0.71073","MoKα","","0.0241","0.0237","","","0.0626","0.0629","","","","","","1.029","","","","has coordinates","291566","2024-05-05","01:38:06",""
"1571297","7.0514","0.0006","17.1123","0.001","30.72","0.002","90","","91.352","0.008","90","","3705.8","0.5","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N3 O3 -","- C20 H25 N3 O3 -","- C160 H200 N24 O24 -","8","2","","Venkatesh, Yarra; Marotta, Nicholas P.; Lee, Virginia M.-Y.; Petersson, E. James","Highly tunable bimane-based fluorescent probes: design, synthesis, and application as a selective amyloid binding dye.","Chemical science","2024","15","16","6053","6063","10.1039/d4sc00024b","","x-ray","0.71073","MoKα","","0.1047","0.0719","","","0.1949","0.2144","","","","","","1.047","","","","has coordinates","291566","2024-05-05","01:38:06",""
"1571298","16.5216","0.0001","16.5216","0.0001","20.1532","0.0003","90","","90","","90","","5501.08","0.09","298","2","298.15","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C32 H28 F3 N O2 -","- C32 H28 F3 N O2 -","- C256 H224 F24 N8 O16 -","8","1","","Lu, Yi-Nan; Che, Chao; Zhen, Guangjin; Chang, Xin; Dong, Xiu-Qin; Wang, Chun-Jiang","Visible-light-enabled stereoselective synthesis of functionalized cyclohexylamine derivatives <i>via</i> [4 + 2] cycloadditions.","Chemical science","2024","15","17","6507","6514","10.1039/d4sc00667d","","x-ray","1.54178","CuKα","","0.0845","0.0614","","","0.1844","0.2011","","","","","","1.049","","","","has coordinates","291564","2024-05-05","01:37:05",""
"1571299","22.7125","0.0003","7.217","0.0001","22.9642","0.0003","90","","90","","90","","3764.2","0.09","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H24 O -","- C26 H24 O -","- C208 H192 O8 -","8","1","","Lu, Yi-Nan; Che, Chao; Zhen, Guangjin; Chang, Xin; Dong, Xiu-Qin; Wang, Chun-Jiang","Visible-light-enabled stereoselective synthesis of functionalized cyclohexylamine derivatives <i>via</i> [4 + 2] cycloadditions.","Chemical science","2024","15","17","6507","6514","10.1039/d4sc00667d","","x-ray","1.54184","CuKα","","0.0445","0.042","","","0.1107","0.1129","","","","","","1.036","","","","has coordinates","291564","2024-05-05","01:37:07",""
"1571300","9.5911","0.0001","23.4883","0.0004","11.486","0.0002","90","","97.703","0.001","90","","2564.2","0.07","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 F3 N O2 -","- C32 H28 F3 N O2 -","- C128 H112 F12 N4 O8 -","4","1","","Lu, Yi-Nan; Che, Chao; Zhen, Guangjin; Chang, Xin; Dong, Xiu-Qin; Wang, Chun-Jiang","Visible-light-enabled stereoselective synthesis of functionalized cyclohexylamine derivatives <i>via</i> [4 + 2] cycloadditions.","Chemical science","2024","15","17","6507","6514","10.1039/d4sc00667d","","x-ray","1.54178","CuKα","","0.0485","0.038","","","0.0955","0.1006","","","","","","1.083","","","","has coordinates","291564","2024-05-05","01:37:07",""
"1571301","22.681","0.005","13.694","0.003","35.586","0.007","90","","101.482","0.004","90","","10832","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48.75 H32.25 N9.25 O14 Tb2 -","- C48.75 H32.25 N9.25 O14 Tb2 -","- C390 H258 N74 O112 Tb16 -","8","1","","Wang, Xinrui; Gopalsamy, Karuppasamy; Clavier, Gilles; Maurin, Guillaume; Ding, Bin; Tissot, Antoine; Serre, Christian","Lanthanide MOF-based luminescent sensor arrays for the detection of castration-resistant prostate cancer curing drugs and biomarkers.","Chemical science","2024","15","17","6488","6499","10.1039/d3sc06899d","","","0.71073","MoKα","","0.1329","0.1254","","","0.3347","0.3392","","","","","","1.005","","","","has coordinates,has disorder","291562","2024-05-05","01:35:37",""
"1571302","22.6951","0.0013","13.7413","0.0006","35.681","0.003","90","","101.363","0.006","90","","10909.4","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49.35 H33.25 Eu2 N9.45 O14 -","- C49.35 H33.25 Eu2 N9.45 O14 -","- C394.8 H266 Eu16 N75.6 O112 -","8","1","","Wang, Xinrui; Gopalsamy, Karuppasamy; Clavier, Gilles; Maurin, Guillaume; Ding, Bin; Tissot, Antoine; Serre, Christian","Lanthanide MOF-based luminescent sensor arrays for the detection of castration-resistant prostate cancer curing drugs and biomarkers.","Chemical science","2024","15","17","6488","6499","10.1039/d3sc06899d","","x-ray","0.71073","MoKα","","0.0657","0.05","","","0.1109","0.1195","","","","","","1.086","","","","has coordinates,has disorder","291562","2024-05-05","01:35:40",""
"1571303","22.3154","0.0002","9.7484","0.0001","11.297","0.0001","90","","92.656","0.001","90","","2454.9","0.04","99.99","0.11","99.99","0.11","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 O6 -","- C30 H32 O6 -","- C120 H128 O24 -","4","1","","Chen, Bolin; Zhang, Xijing; Yang, Yufen; Xu, Dongdong; Wu, Qianwei; Wang, Shibo; Bao, Shiqi; Zhang, Xuemei; Ding, Yahui; Wang, Liang; Chen, Yue","Hypocretenolides: collective total syntheses and activities toward metastatic colon cancer.","Chemical science","2024","15","17","6397","6401","10.1039/d4sc01469c","","x-ray","1.54184","CuKα","","0.0379","0.0355","","","0.0902","0.0918","","","","","","1.05","","","","has coordinates","291560","2024-05-05","01:33:59",""
"1571304","8.5784","0.0007","8.7025","0.0004","9.1689","0.0005","101.163","0.004","92.706","0.006","105.082","0.005","644.96","0.07","301.17","0.1","301.17","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C11 H10 N O -","- C10 H12.6667 N0.666667 O1.33333 -","- C30 H38 N2 O4 -","3","1.5","","Chen, Bolin; Zhang, Xijing; Yang, Yufen; Xu, Dongdong; Wu, Qianwei; Wang, Shibo; Bao, Shiqi; Zhang, Xuemei; Ding, Yahui; Wang, Liang; Chen, Yue","Hypocretenolides: collective total syntheses and activities toward metastatic colon cancer.","Chemical science","2024","15","17","6397","6401","10.1039/d4sc01469c","","x-ray","1.54184","CuKα","","0.0615","0.0517","","","0.1588","0.1668","","","","","","0.908","","","","has coordinates","291560","2024-05-05","01:34:02",""
"1571305","11.361","0.004","20.063","0.007","9.862","0.004","90","","116.079","0.016","90","","2019","1.3","293","","293","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C24 H28 O2 -","- C24 H28 O2 -","- C96 H112 O8 -","4","1","","Xu, Fan; Sheng, Jinyu; Stindt, Charlotte N.; Crespi, Stefano; Danowski, Wojciech; Hilbers, Michiel F.; Buma, Wybren Jan; Feringa, Ben L.","All-visible-light-driven stiff-stilbene photoswitches.","Chemical science","2024","15","18","6763","6769","10.1039/d4sc00983e","","","0.71073","MoKα","","0.0843","0.0547","","","0.1097","0.1258","","","","","","1.026","","","","has coordinates","292917","2024-07-05","15:06:26",""
"1571306","13.2599","0.0018","8.8008","0.0013","15.7527","0.0019","90","","110.535","0.005","90","","1721.5","0.4","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 O2 -","- C22 H24 O2 -","- C88 H96 O8 -","4","1","","Xu, Fan; Sheng, Jinyu; Stindt, Charlotte N.; Crespi, Stefano; Danowski, Wojciech; Hilbers, Michiel F.; Buma, Wybren Jan; Feringa, Ben L.","All-visible-light-driven stiff-stilbene photoswitches.","Chemical science","2024","15","18","6763","6769","10.1039/d4sc00983e","","","0.71073","MoKα","","0.0971","0.0612","","","0.1238","0.1476","","","","","","1.061","","","","has coordinates","292917","2024-07-05","15:06:27",""
"1571307","9.6167","0.0008","12.0209","0.001","18.8367","0.0016","90","","90","","90","","2177.5","0.3","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 O4 -","- C26 H28 O4 -","- C104 H112 O16 -","4","1","","Xu, Fan; Sheng, Jinyu; Stindt, Charlotte N.; Crespi, Stefano; Danowski, Wojciech; Hilbers, Michiel F.; Buma, Wybren Jan; Feringa, Ben L.","All-visible-light-driven stiff-stilbene photoswitches.","Chemical science","2024","15","18","6763","6769","10.1039/d4sc00983e","","","0.71073","MoKα","","0.0766","0.0545","","","0.1163","0.1297","","","","","","1.025","","","","has coordinates","292917","2024-07-05","15:06:27",""
"1571308","13.827","0.0008","11.0385","0.0005","16.8969","0.0007","90","","92.719","0.004","90","","2576.1","0.2","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 N2 O3 S -","- C32 H26 N2 O3 S -","- C128 H104 N8 O12 S4 -","4","1","","Chaturvedi, Atul K.; Shukla, Rahul K.; Volla, Chandra M. R.","Rh(iii)-catalyzed sp<sup>3</sup>/sp<sup>2</sup>-C-H heteroarylations <i>via</i> cascade C-H activation and cyclization.","Chemical science","2024","15","17","6544","6551","10.1039/d3sc06955a","","x-ray","0.71073","MoKα","","0.0734","0.0494","","","0.1101","0.126","","","","","","1.021","","","","has coordinates","291563","2024-05-05","01:36:04",""
"1571309","9.3547","0.0002","11.556","0.0003","12.3884","0.0003","88.421","0.002","69.933","0.002","76.069","0.002","1218.69","0.05","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H24 N2 O2 S -","- C31 H24 N2 O2 S -","- C62 H48 N4 O4 S2 -","2","1","","Chaturvedi, Atul K.; Shukla, Rahul K.; Volla, Chandra M. R.","Rh(iii)-catalyzed sp<sup>3</sup>/sp<sup>2</sup>-C-H heteroarylations <i>via</i> cascade C-H activation and cyclization.","Chemical science","2024","15","17","6544","6551","10.1039/d3sc06955a","","","1.54184","CuKα","","0.0827","0.0683","","","0.1885","0.2237","","","","","","1.033","","","","has coordinates","291563","2024-05-05","01:36:06",""
"1571310","15.1491","0.0013","8.24","0.0006","17.97","0.0013","90","","91.932","0.004","90","","2241.9","0.3","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","P2Mac","","- C26 H24 N6 O3 -","- C26 H24 N6 O3 -","- C104 H96 N24 O12 -","4","1","","Pradhan, Nyaya Prakash; Gupta, Sweety; Ghosh, Swapnendu Narayan; Paul, Amit; Talukder, Santanu; Srivastava, Aasheesh","Self-assembly of water-filled molecular saddles to generate diverse morphologies and high proton conductivity.","Nanoscale","2024","16","17","8427","8433","10.1039/d4nr00456f","","","0.71073","MoKα","","0.1239","0.0539","","","0.1107","0.1445","","","","","","1.0134","","","","has coordinates","291662","2024-05-05","03:39:58",""
"1571311","21.5917","0.0004","23.598","0.0005","26.7319","0.0005","95.805","0.002","110.205","0.002","97.054","0.002","12533.9","0.5","150","2","149.99","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C208 H139 Ag12 Au5 F54 Fe4 P8 S9 -","- C208 H139 Ag12 Au5 F54 Fe4 P8 S9 -","- C416 H278 Ag24 Au10 F108 Fe8 P16 S18 -","2","1","","Wang, Jiawei; Ma, Along; Ren, Yonggang; Shen, Xuekairui; Wang, Yifei; Song, Caixia; Wang, Shuxin","An Au<sub>5</sub>Ag<sub>12</sub>(SR)<sub>9</sub>(dppf)<sub>4</sub> alloy nanocluster: structural determination and optical property and photothermal conversion investigation.","Nanoscale","2024","16","18","9047","9054","10.1039/d4nr00312h","","","0.71073","MoKα","","0.1116","0.0736","","","0.1863","0.2037","","","","","","1.093","","","","has coordinates","293180","2024-07-05","17:30:48",""
"1571312","26.718","0.004","9.8834","0.0013","20.648","0.003","90","","90","","90","","5452.4","1.3","125","2","125","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","Bis[2,6-bis(1<i>H</i>-benzimidazol-2-yl)pyridine]ruthenium(II) bis(hexafluoridophosphate) diethyl ether trisolvate","","- C50 H56 F12 N10 O3 P2 Ru -","- C50 H56 F12 N10 O3 P2 Ru -","- C200 H224 F48 N40 O12 P8 Ru4 -","4","1","BT4148","Althubyani, Layla M.; MacLean, Brian J.; Robertson, Katherine N.; Aquino, Manuel A.S.","Bis[2,6-bis(1H-benzimidazol-2-yl)pyridine]ruthenium(II) bis(hexafluoridophosphate) diethyl ether trisolvate","IUCrData","2024","9","3","","","10.1107/S2414314624002694","","","0.71073","MoKα","","0.1046","0.092","","","0.1934","0.1987","","","","","","1.184","","","","has coordinates","290712","2024-03-29","03:15:51",""
"1571313","4.4453","0.0006","8.1098","0.001","12.7463","0.0018","90","","90","","90","","459.51","0.11","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- As B F H4 N O4 -","- As B F H4 N O4 -","- As4 B4 F4 H16 N4 O16 -","4","1","","Bai, Zhiyong; Lee, Jihyun; Hu, Chun-Li; Zou, Guohong; Ok, Kang Min","Hydrogen bonding bolstered head-to-tail ligation of functional chromophores in a 0D SbF<sub>3</sub>·glycine adduct for a short-wave ultraviolet nonlinear optical material.","Chemical science","2024","15","17","6572","6576","10.1039/d4sc01353k","","x-ray","1.3405","GaKα","","0.0667","0.0616","","","0.1548","0.1764","","","","","","1.154","","","","has coordinates","291565","2024-05-05","01:37:30",""
"1571314","21.54594","0.00012","25.73674","0.00014","29.44669","0.00016","73.2304","0.0005","71.3145","0.0005","72.7778","0.0005","14432.2","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C152 H184 N6 O24 -","- C126 H112 N6 O10 -","- C504 H448 N24 O40 -","4","2","","Andrews, Keith G.; Horton, Peter N.; Coles, Simon J.","Programmable synthesis of organic cages with reduced symmetry.","Chemical science","2024","15","17","6536","6543","10.1039/d4sc00889h","","x-ray","1.54178","CuKα","","0.1194","0.1109","","","0.3439","0.353","","","","","","1.053","","","","has coordinates,has disorder","291556","2024-05-05","01:31:18",""
"1571315","22.249","0.001","42.9082","0.0014","23.6046","0.0004","90","","92.591","0.003","90","","22511.4","1.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C220 H264 N6 O21 -","- C176 H176 N6 O10 -","- C704 H704 N24 O40 -","4","1","","Andrews, Keith G.; Horton, Peter N.; Coles, Simon J.","Programmable synthesis of organic cages with reduced symmetry.","Chemical science","2024","15","17","6536","6543","10.1039/d4sc00889h","","x-ray","1.54178","CuKα","","0.1168","0.0879","","","0.2385","0.272","","","","","","1.002","","","","has coordinates","291556","2024-05-05","01:31:22",""
"1571316","20.2715","0.0006","42.387","0.003","25.285","0.0007","90","","91.715","0.002","90","","21716.4","1.8","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C182 H230 N12 O31 -","- C122 H110 N12 O10 -","- C488 H440 N48 O40 -","4","2","","Andrews, Keith G.; Horton, Peter N.; Coles, Simon J.","Programmable synthesis of organic cages with reduced symmetry.","Chemical science","2024","15","17","6536","6543","10.1039/d4sc00889h","","x-ray","1.54178","CuKα","K-L~3~","0.1101","0.0898","","","0.2452","0.2739","","","","","","1.07","","","","has coordinates","291556","2024-05-05","01:31:22",""
"1571317","11.4532","0.0005","29.5233","0.0009","23.5755","0.0008","90","","97.369","0.004","90","","7905.9","0.5","140","0.1","140","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H139 Fe2 N6 P8 Si4 Sm -","- C55 H139 Fe2 N6 P8 Si4 Sm -","- C220 H556 Fe8 N24 P32 Si16 Sm4 -","4","1","","Jori, Nadir; Moreno, Juan J.; Shivaraam, R. A. Keerthi; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Campos, Jesús; Mazzanti, Marinella","Iron promoted end-on dinitrogen-bridging in heterobimetallic complexes of uranium and lanthanides.","Chemical science","2024","15","18","6842","6852","10.1039/d4sc01050g","","x-ray","1.54184","CuKα","","0.1143","0.0585","","","0.103","0.1237","","","","","","0.976","","","","has coordinates","292915","2024-07-05","15:06:05",""
"1571318","20.9865","0.0004","19.1066","0.0005","25.5457","0.0005","90","","90","","90","","10243.3","0.4","200.15","","200.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H84 Fe N4 P4 Si4 Sm -","- C32 H84 Fe N4 P4 Si4 Sm -","- C256 H672 Fe8 N32 P32 Si32 Sm8 -","8","1","","Jori, Nadir; Moreno, Juan J.; Shivaraam, R. A. Keerthi; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Campos, Jesús; Mazzanti, Marinella","Iron promoted end-on dinitrogen-bridging in heterobimetallic complexes of uranium and lanthanides.","Chemical science","2024","15","18","6842","6852","10.1039/d4sc01050g","","x-ray","1.54184","CuKα","","0.0532","0.0378","","","0.0905","0.0995","","","","","","1.02","","","","has coordinates","292915","2024-07-05","15:06:05",""
"1571319","10.35562","0.00015","36.8715","0.0003","14.64313","0.00018","90","","99.5143","0.0013","90","","5514.24","0.12","200.07","0.16","200.07","0.16","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H93.2 Fe N4 O P4 Si4 Yb -","- C36 H93.2 Fe N4 O P4 Si4 Yb -","- C144 H372.8 Fe4 N16 O4 P16 Si16 Yb4 -","4","1","","Jori, Nadir; Moreno, Juan J.; Shivaraam, R. A. Keerthi; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Campos, Jesús; Mazzanti, Marinella","Iron promoted end-on dinitrogen-bridging in heterobimetallic complexes of uranium and lanthanides.","Chemical science","2024","15","18","6842","6852","10.1039/d4sc01050g","","x-ray","1.54184","CuKα","","0.0342","0.0314","","","0.08","0.0821","","","","","","1.066","","","","has coordinates,has disorder","292915","2024-07-05","15:06:05",""
"1571320","16.81721","0.00016","19.7326","0.0002","20.13034","0.00017","90","","90","","90","","6680.2","0.11","140","0.1","140","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C62 H111 Fe N2 O3 P4 U -","- C62 H111 Fe N2 O3 P4 U -","- C248 H444 Fe4 N8 O12 P16 U4 -","4","1","","Jori, Nadir; Moreno, Juan J.; Shivaraam, R. A. Keerthi; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Campos, Jesús; Mazzanti, Marinella","Iron promoted end-on dinitrogen-bridging in heterobimetallic complexes of uranium and lanthanides.","Chemical science","2024","15","18","6842","6852","10.1039/d4sc01050g","","x-ray","1.54184","CuKα","","0.0283","0.0263","","","0.0621","0.063","","","","","","1.091","","","","has coordinates,has disorder","292915","2024-07-05","15:06:05",""
"1571321","11.6015","0.00016","18.3958","0.0002","27.5562","0.0004","90","","94.1162","0.0012","90","","5865.84","0.13","139.99","0.1","139.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H102 Fe N5 P4 Si6 Tm -","- C38 H102 Fe N5 P4 Si6 Tm -","- C152 H408 Fe4 N20 P16 Si24 Tm4 -","4","1","","Jori, Nadir; Moreno, Juan J.; Shivaraam, R. A. Keerthi; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Campos, Jesús; Mazzanti, Marinella","Iron promoted end-on dinitrogen-bridging in heterobimetallic complexes of uranium and lanthanides.","Chemical science","2024","15","18","6842","6852","10.1039/d4sc01050g","","x-ray","1.54184","CuKα","","0.0497","0.0421","","","0.1111","0.1151","","","","","","1.046","","","","has coordinates","292915","2024-07-05","15:06:05",""
"1571322","11.56977","0.00016","19.2708","0.0005","27.3324","0.0007","78.622","0.002","89.5036","0.0015","89.1024","0.0016","5973.4","0.2","140","0.1","140","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C38 H102 Ce Fe N5 P4 Si6 -","- C38 H102 Ce Fe N5 P4 Si6 -","- C152 H408 Ce4 Fe4 N20 P16 Si24 -","4","2","","Jori, Nadir; Moreno, Juan J.; Shivaraam, R. A. Keerthi; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Campos, Jesús; Mazzanti, Marinella","Iron promoted end-on dinitrogen-bridging in heterobimetallic complexes of uranium and lanthanides.","Chemical science","2024","15","18","6842","6852","10.1039/d4sc01050g","","x-ray","1.54184","CuKα","","0.0721","0.0645","","","0.1805","0.1889","","","","","","1.04","","","","has coordinates","292915","2024-07-05","15:06:05",""
"1571323","11.8173","0.0005","18.0593","0.0007","27.8343","0.0012","90","","93.235","0.004","90","","5930.7","0.4","140","0.1","140","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H102 Fe N5 P4 Si6 Sm -","- C38 H102 Fe N5 P4 Si6 Sm -","- C152 H408 Fe4 N20 P16 Si24 Sm4 -","4","1","","Jori, Nadir; Moreno, Juan J.; Shivaraam, R. A. Keerthi; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Campos, Jesús; Mazzanti, Marinella","Iron promoted end-on dinitrogen-bridging in heterobimetallic complexes of uranium and lanthanides.","Chemical science","2024","15","18","6842","6852","10.1039/d4sc01050g","","x-ray","1.54184","CuKα","","0.0843","0.0659","","","0.188","0.204","","","","","","1.081","","","","has coordinates,has disorder","292915","2024-07-05","15:06:05",""
"1571324","11.6319","0.0005","18.3899","0.0009","27.7329","0.0015","90","","94.323","0.004","90","","5915.5","0.5","139.99","0.1","139.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H102 Dy Fe N5 P4 Si6 -","- C38 H102 Dy Fe N5 P4 Si6 -","- C152 H408 Dy4 Fe4 N20 P16 Si24 -","4","1","","Jori, Nadir; Moreno, Juan J.; Shivaraam, R. A. Keerthi; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Campos, Jesús; Mazzanti, Marinella","Iron promoted end-on dinitrogen-bridging in heterobimetallic complexes of uranium and lanthanides.","Chemical science","2024","15","18","6842","6852","10.1039/d4sc01050g","","x-ray","1.54184","CuKα","","0.1082","0.0603","","","0.1242","0.1357","","","","","","0.867","","","","has coordinates","292915","2024-07-05","15:06:05",""
"1571325","11.55749","0.00016","19.2532","0.0003","27.3197","0.0005","78.7323","0.0015","89.482","0.0013","89.047","0.0012","5961.04","0.17","140","0.1","140","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C38 H102 Fe N5 P4 Si6 U -","- C38 H102 Fe N5 P4 Si6 U -","- C152 H408 Fe4 N20 P16 Si24 U4 -","4","2","","Jori, Nadir; Moreno, Juan J.; Shivaraam, R. A. Keerthi; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Campos, Jesús; Mazzanti, Marinella","Iron promoted end-on dinitrogen-bridging in heterobimetallic complexes of uranium and lanthanides.","Chemical science","2024","15","18","6842","6852","10.1039/d4sc01050g","","x-ray","1.54184","CuKα","","0.0367","0.0306","","","0.069","0.0716","","","","","","1.008","","","","has coordinates,has disorder","292915","2024-07-05","15:06:05",""
"1571326","12.599","0.006","25.838","0.011","13.639","0.006","90","","116.756","0.005","90","","3965","3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C24 H20 F6 Fe N8 Ti -","- C24 H20 F6 Fe N8 Ti -","- C96 H80 F24 Fe4 N32 Ti4 -","4","0.5","","Liu, Shuang; Huang, Yuhang; Wan, Jingmeng; Zheng, Jia-Jia; Krishna, Rajamani; Li, Yi; Ge, Kai; Tang, Jie; Duan, Jingui","Fine-regulation of gradient gate-opening in nanoporous crystals for sieving separation of ternary C3 hydrocarbons.","Chemical science","2024","15","17","6583","6588","10.1039/d3sc05489f","","","0.71073","MoKα","","0.1415","0.0835","","","0.2181","0.2385","","","","","","1.039","","","","has coordinates","291557","2024-05-05","01:31:57",""
"1571327","13.517","0.016","25.27","0.03","12.693","0.015","90","","117.986","0.016","90","","3829","8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Co F6 N8 Zr -","- C24 H20 Co F6 N8 Zr -","- C96 H80 Co4 F24 N32 Zr4 -","4","1","","Liu, Shuang; Huang, Yuhang; Wan, Jingmeng; Zheng, Jia-Jia; Krishna, Rajamani; Li, Yi; Ge, Kai; Tang, Jie; Duan, Jingui","Fine-regulation of gradient gate-opening in nanoporous crystals for sieving separation of ternary C3 hydrocarbons.","Chemical science","2024","15","17","6583","6588","10.1039/d3sc05489f","","","0.71073","MoKα","","0.1347","0.0775","","","0.1522","0.1684","","","","","","1.018","","","","has coordinates","291557","2024-05-05","01:32:03",""
"1571328","13.709","0.008","25.837","0.015","12.83","0.008","90","","117.798","0.007","90","","4020","4","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 F6 Fe N8 O0 Zr -","- C24 H20 F6 Fe N8 Zr -","- C96 H80 F24 Fe4 N32 Zr4 -","4","1","","Liu, Shuang; Huang, Yuhang; Wan, Jingmeng; Zheng, Jia-Jia; Krishna, Rajamani; Li, Yi; Ge, Kai; Tang, Jie; Duan, Jingui","Fine-regulation of gradient gate-opening in nanoporous crystals for sieving separation of ternary C3 hydrocarbons.","Chemical science","2024","15","17","6583","6588","10.1039/d3sc05489f","","","0.71073","MoKα","","0.2202","0.1532","","","0.3496","0.3803","","","","","","1.108","","","","has coordinates","291557","2024-05-05","01:32:03",""
"1571329","13.667","0.008","25.634","0.014","12.72","0.007","90","","115.987","0.008","90","","4006","4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Co F6 N8 Ti -","- C24 H20 Co F6 N8 Ti -","- C96 H80 Co4 F24 N32 Ti4 -","4","1","","Liu, Shuang; Huang, Yuhang; Wan, Jingmeng; Zheng, Jia-Jia; Krishna, Rajamani; Li, Yi; Ge, Kai; Tang, Jie; Duan, Jingui","Fine-regulation of gradient gate-opening in nanoporous crystals for sieving separation of ternary C3 hydrocarbons.","Chemical science","2024","15","17","6583","6588","10.1039/d3sc05489f","","","0.71073","MoKα","","0.116","0.0591","","","0.1478","0.1635","","","","","","1.01","","","","has coordinates","291557","2024-05-05","01:32:03",""
"1571330","5.5635","0.0002","9.3426","0.0003","15.419","0.0005","98.598","0.001","96.263","0.001","103.897","0.001","760.41","0.04","250","","250","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H8 Bi O10 S2 -","- C14 H8 Bi O10 S2 -","- C28 H16 Bi2 O20 S4 -","2","1","","Shi, Cai; Gomez-Mendoza, Miguel; Gómez de Oliveira, Eloy; García-Tecedor, Miguel; Barawi, Mariam; Esteban-Betegón, Fátima; Liras, Marta; Gutiérrez-Puebla, Enrique; Monge, Angeles; de la Peña O'Shea, Víctor A; Gándara, Felipe","An anthraquinone-based bismuth-iron metal-organic framework as an efficient photoanode in photoelectrochemical cells.","Chemical science","2024","15","18","6860","6866","10.1039/d4sc00980k","","x-ray","1.54184","CuKα","","0.0238","0.023","","","0.0679","0.0686","","","","","","1.103","","","","has coordinates","292909","2024-07-05","15:03:45",""
"1571331","32.9343","0.0014","6.5367","0.0003","15.9709","0.0007","90","","93.563","0.001","90","","3431.6","0.3","250","","250.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H12 Bi2 Fe2 O23 S4 -","- C28 H12 Bi2 Fe2 O23 S4 -","- C112 H48 Bi8 Fe8 O92 S16 -","4","0.5","","Shi, Cai; Gomez-Mendoza, Miguel; Gómez de Oliveira, Eloy; García-Tecedor, Miguel; Barawi, Mariam; Esteban-Betegón, Fátima; Liras, Marta; Gutiérrez-Puebla, Enrique; Monge, Angeles; de la Peña O'Shea, Víctor A; Gándara, Felipe","An anthraquinone-based bismuth-iron metal-organic framework as an efficient photoanode in photoelectrochemical cells.","Chemical science","2024","15","18","6860","6866","10.1039/d4sc00980k","","x-ray","1.54178","CuKα","","0.0372","0.0372","","","0.0939","0.0939","","","","","","1.103","","","","has coordinates","292909","2024-07-05","15:03:46",""
"1571332","17.7326","0.0006","17.7326","0.0006","7.7899","0.0003","90","","90","","120","","2121.33","0.13","300","","300","","","","","","","","","4","P -6","P -6","174","","","","- Ba Ga6 Mg6 Se16 -","- Ba Ga6 Mg6 Se16 -","- Ba3 Ga18 Mg18 Se48 -","3","0.5","","Wang, Linan; Chu, Dongdong; Yang, Zhihua; Li, Junjie; Pan, Shilie","Wide band gap selenide infrared nonlinear optical materials A<sup>II</sup>Mg<sub>6</sub>Ga<sub>6</sub>Se<sub>16</sub> with strong SHG responses and high laser-induced damage thresholds.","Chemical science","2024","15","17","6577","6582","10.1039/d4sc00334a","","","0.71073","MoKα","","0.0338","0.0261","","","0.0618","0.067","","","","","","1.022","","","","has coordinates","291559","2024-05-05","01:33:19",""
"1571333","17.5327","0.0003","17.5327","0.0003","7.7603","0.0002","90","","90","","120","","2065.89","0.07","273.15","","273.15","","","","","","","","","4","P -6","P -6","174","","","","- Ca Ga6 Mg6 Se16 -","- Ca Ga6 Mg6 Se16 -","- Ca3 Ga18 Mg18 Se48 -","3","0.5","","Wang, Linan; Chu, Dongdong; Yang, Zhihua; Li, Junjie; Pan, Shilie","Wide band gap selenide infrared nonlinear optical materials A<sup>II</sup>Mg<sub>6</sub>Ga<sub>6</sub>Se<sub>16</sub> with strong SHG responses and high laser-induced damage thresholds.","Chemical science","2024","15","17","6577","6582","10.1039/d4sc00334a","","","0.71073","MoKα","","0.0537","0.0389","","","0.0989","0.1089","","","","","","1.081","","","","has coordinates","291559","2024-05-05","01:33:29",""
"1571334","17.6115","0.0009","17.6115","0.0009","7.7684","0.0003","90","","90","","120","","2086.68","0.17","300","","300","","","","","","","","","4","P -6","P -6","174","","","","- Ga6 Mg6 Se16 Sr -","- Ga6 Mg6 Se16 Sr -","- Ga18 Mg18 Se48 Sr3 -","3","0.5","","Wang, Linan; Chu, Dongdong; Yang, Zhihua; Li, Junjie; Pan, Shilie","Wide band gap selenide infrared nonlinear optical materials A<sup>II</sup>Mg<sub>6</sub>Ga<sub>6</sub>Se<sub>16</sub> with strong SHG responses and high laser-induced damage thresholds.","Chemical science","2024","15","17","6577","6582","10.1039/d4sc00334a","","","0.71073","MoKα","","0.0394","0.0243","","","0.0574","0.0647","","","","","","1.023","","","","has coordinates","291559","2024-05-05","01:33:29",""
"1571335","25.8699","0.0002","14.53966","0.00015","7.44906","0.00008","90","","90","","90","","2801.89","0.05","100","0.11","100","0.11","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C17 H16 N2 -","- C17 H16 N2 -","- C136 H128 N16 -","8","2","","Saleh, Nidal; Sucre-Rosales, Estefanía; Zinna, Francesco; Besnard, Céline; Vauthey, Eric; Lacour, Jérôme","Axially-chiral boramidine for detailed (chir)optical studies.","Chemical science","2024","15","17","6530","6535","10.1039/d4sc00870g","","x-ray","1.54184","CuKα","","0.0301","0.0292","","","0.0752","0.0759","","","","","","1.074","","","","has coordinates","291558","2024-05-05","01:32:27",""
"1571336","14.6488","0.0001","23.2014","0.0002","18.0516","0.0001","90","","95.193","0.001","90","","6110.06","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69 H67 Cl2 Si4 Sn2 -","- C69 H67 Cl2 Si4 Sn2 -","- C276 H268 Cl8 Si16 Sn8 -","4","1","","Sugamata, Koh; Asakawa, Teppei; Minoura, Mao","A tin analogue of propadiene with cumulated C[double bond, length as m-dash]Sn double bonds.","Chemical science","2024","15","19","7072","7078","10.1039/d4sc00093e","","","0.4139","Synchrotron","","0.0262","0.0233","","","0.0611","0.0622","","","","","","1.056","","","","has coordinates","292891","2024-07-05","14:58:28",""
"1571337","14.5967","0.0005","23.35","0.0008","18.0604","0.0006","90","","94.819","0.003","90","","6133.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69 H67 Br2 Si4 Sn2 -","- C69 H67 Br2 Si4 Sn2 -","- C276 H268 Br8 Si16 Sn8 -","4","1","","Sugamata, Koh; Asakawa, Teppei; Minoura, Mao","A tin analogue of propadiene with cumulated C[double bond, length as m-dash]Sn double bonds.","Chemical science","2024","15","19","7072","7078","10.1039/d4sc00093e","","","0.71073","MoKα","","0.07","0.0504","","","0.0963","0.1049","","","","","","1.103","","","","has coordinates","292891","2024-07-05","14:58:29",""
"1571338","11.2316","0.0003","12.9893","0.0004","17.563","0.0005","70.964","0.003","75.647","0.003","84.203","0.003","2345.98","0.13","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H56 O2 Si4 Sn -","- C54 H56 O2 Si4 Sn -","- C108 H112 O4 Si8 Sn2 -","2","1","","Sugamata, Koh; Asakawa, Teppei; Minoura, Mao","A tin analogue of propadiene with cumulated C[double bond, length as m-dash]Sn double bonds.","Chemical science","2024","15","19","7072","7078","10.1039/d4sc00093e","","","0.71073","MoKα","","0.0304","0.0264","","","0.0597","0.0614","","","","","","1.028","","","","has coordinates","292891","2024-07-05","14:58:29",""
"1571339","10.8346","0.0002","15.7565","0.0003","26.9143","0.0005","90","","90.212","0.002","90","","4594.65","0.15","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H52 Si4 Sn -","- C54 H52 Si4 Sn -","- C216 H208 Si16 Sn4 -","4","1","","Sugamata, Koh; Asakawa, Teppei; Minoura, Mao","A tin analogue of propadiene with cumulated C[double bond, length as m-dash]Sn double bonds.","Chemical science","2024","15","19","7072","7078","10.1039/d4sc00093e","","","0.71073","MoKα","","0.0288","0.0243","","","0.071","0.0733","","","","","","1.044","","","","has coordinates","292891","2024-07-05","14:58:29",""
"1571340","10.0462","0.0004","10.6969","0.0004","12.2851","0.0003","81.137","0.002","74.219","0.003","66.744","0.004","1165.58","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H52 Si4 Sn2 -","- C54 H52 Si4 Sn2 -","- C54 H52 Si4 Sn2 -","1","0.5","","Sugamata, Koh; Asakawa, Teppei; Minoura, Mao","A tin analogue of propadiene with cumulated C[double bond, length as m-dash]Sn double bonds.","Chemical science","2024","15","19","7072","7078","10.1039/d4sc00093e","","","0.71073","MoKα","","0.0168","0.0166","","","0.0435","0.0436","","","","","","1.046","","","","has coordinates","292891","2024-07-05","14:58:29",""
"1571341","11.5084","0.0004","13.1355","0.0005","17.4215","0.0007","71.074","0.004","75.05","0.004","84.125","0.003","2406.38","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H60 Si4 Sn -","- C56 H60 Si4 Sn -","- C112 H120 Si8 Sn2 -","2","1","","Sugamata, Koh; Asakawa, Teppei; Minoura, Mao","A tin analogue of propadiene with cumulated C[double bond, length as m-dash]Sn double bonds.","Chemical science","2024","15","19","7072","7078","10.1039/d4sc00093e","","","0.71073","MoKα","","0.0298","0.027","","","0.0546","0.0556","","","","","","1.059","","","","has coordinates","292891","2024-07-05","14:58:29",""
"1571342","14.49307","0.00015","14.6781","0.00014","20.2591","0.0003","89.6876","0.0009","88.754","0.001","89.3655","0.0008","4308.39","0.09","140","0.1","140","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C90.5 H112 Ce O10 Si4 -","- C90.5 H112 Ce O10 Si4 -","- C181 H224 Ce2 O20 Si8 -","2","1","","Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.","Chemical science","2024","15","18","6874","6883","10.1039/d4sc00051j","","x-ray","1.54184","CuKα","","0.0408","0.0354","","","0.0863","0.0887","","","","","","1.022","","","","has coordinates,has disorder","292913","2024-07-05","15:05:16",""
"1571343","13.9674","0.0004","18.1707","0.0004","21.7736","0.0004","89.0799","0.0015","88.765","0.002","87.017","0.002","5516.7","0.2","140.01","0.1","140.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C52 H77 O10 Si3 Tb -","- C52 H77 O10 Si3 Tb -","- C208 H308 O40 Si12 Tb4 -","4","2","","Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.","Chemical science","2024","15","18","6874","6883","10.1039/d4sc00051j","","x-ray","1.54184","CuKα","","0.0585","0.0421","","","0.0986","0.1072","","","","","","1.018","","","","has coordinates,has disorder","292913","2024-07-05","15:05:16",""
"1571344","11.1371","0.0002","14.2669","0.0003","24.2013","0.0005","106.086","0.0017","99.498","0.0018","93.6846","0.0016","3619.56","0.13","140","0.1","140","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C86 H85 O6 Si3 Tb -","- C86 H85 O6 Si3 Tb -","- C172 H170 O12 Si6 Tb2 -","2","1","","Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.","Chemical science","2024","15","18","6874","6883","10.1039/d4sc00051j","","x-ray","1.54184","CuKα","","0.0356","0.0316","","","0.0762","0.0786","","","","","","1.029","","","","has coordinates,has disorder","292913","2024-07-05","15:05:16",""
"1571345","13.79296","0.00019","22.3194","0.0002","18.4603","0.0002","90","","91.7441","0.0012","90","","5680.38","0.11","140","0.1","140","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H54 N3 O3 Si3 Tb -","- C66 H54 N3 O3 Si3 Tb -","- C264 H216 N12 O12 Si12 Tb4 -","4","1","","Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.","Chemical science","2024","15","18","6874","6883","10.1039/d4sc00051j","","x-ray","1.54184","CuKα","","0.065","0.0516","","","0.1396","0.1472","","","","","","1.035","","","","has coordinates,has disorder","292913","2024-07-05","15:05:16",""
"1571346","11.2033","0.0003","14.3534","0.0003","24.5094","0.0005","106.235","0.0018","99.3584","0.0018","93.8891","0.0017","3706.91","0.15","200","0.11","200","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C86 H85 Ce O6 Si3 -","- C86 H85 Ce O6 Si3 -","- C172 H170 Ce2 O12 Si6 -","2","1","","Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.","Chemical science","2024","15","18","6874","6883","10.1039/d4sc00051j","","x-ray","1.54184","CuKα","","0.0421","0.0363","","","0.0891","0.0947","","","","","","1.011","","","","has coordinates,has disorder","292913","2024-07-05","15:05:16",""
"1571347","14.7864","0.0003","14.7864","0.0003","55.7285","0.001","90","","90","","120","","10552","0.4","199.99","0.12","199.99","0.12","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C98.8 H149.6 K O18.2 Si4 Tb -","- C87.9996 H127.999 K O15.4999 Si4 Tb -","- C351.998 H511.997 K4 O61.9996 Si16 Tb4 -","4","0.333333","","Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.","Chemical science","2024","15","18","6874","6883","10.1039/d4sc00051j","","x-ray","1.54184","CuKα","","0.0751","0.0695","","","0.1709","0.1747","","","","","","1.074","","","","has coordinates,has disorder","292913","2024-07-05","15:05:16",""
"1571348","11.1967","0.0004","14.3423","0.0005","24.4587","0.0006","106.237","0.003","99.362","0.003","93.699","0.003","3695.7","0.2","200","0.1","200","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C86 H85 O6 Pr Si3 -","- C86 H85 O6 Pr Si3 -","- C172 H170 O12 Pr2 Si6 -","2","1","","Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.","Chemical science","2024","15","18","6874","6883","10.1039/d4sc00051j","","x-ray","1.54184","CuKα","","0.0312","0.027","","","0.0668","0.0692","","","","","","1.021","","","","has coordinates,has disorder","292913","2024-07-05","15:05:16",""
"1571349","14.87393","0.00016","14.87393","0.00016","55.4259","0.0007","90","","90","","120","","10619.3","0.2","200","0.11","200","0.11","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C88 H128 Ce K O15.5 Si4 -","- C87.9996 H127.999 Ce K O15.4999 Si4 -","- C351.998 H511.997 Ce4 K4 O61.9996 Si16 -","4","0.333333","","Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.","Chemical science","2024","15","18","6874","6883","10.1039/d4sc00051j","","x-ray","1.54184","CuKα","","0.0588","0.0581","","","0.1554","0.1561","","","","","","1.088","","","","has coordinates,has disorder","292913","2024-07-05","15:05:16",""
"1571350","15.94855","0.00011","22.45159","0.00016","25.0337","0.00019","90","","90","","90","","8963.82","0.11","139.99","0.1","139.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C102 H108 Ce O10 Si4 -","- C94 H92 Ce O8 Si4 -","- C376 H368 Ce4 O32 Si16 -","4","1","","Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.","Chemical science","2024","15","18","6874","6883","10.1039/d4sc00051j","","x-ray","1.54184","CuKα","","0.0431","0.0409","","","0.1073","0.1097","","","","","","1.03","","","","has coordinates,has disorder","292913","2024-07-05","15:05:16",""
"1571351","17.6194","0.0003","13.8469","0.0003","31.8914","0.0005","90","","91.3763","0.0014","90","","7778.4","0.2","200","0.1","200","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C87 H73.5 N4.5 O4 Si4 Tb -","- C84 H69 N3 O4 Si4 Tb -","- C336 H276 N12 O16 Si16 Tb4 -","4","1","","Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.","Chemical science","2024","15","18","6874","6883","10.1039/d4sc00051j","","x-ray","1.54184","CuKα","","0.0555","0.0412","","","0.0997","0.1069","","","","","","1.068","","","","has coordinates","292913","2024-07-05","15:05:16",""
"1571352","13.6564","0.0001","43.2742","0.0005","14.2403","0.0001","90","","100.185","0.001","90","","8282.97","0.13","139.99","0.1","139.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C92 H81 K N7 O4 Pr Si4 -","- C86 H72 K N4 O4 Pr Si4 -","- C344 H288 K4 N16 O16 Pr4 Si16 -","4","1","","Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.","Chemical science","2024","15","18","6874","6883","10.1039/d4sc00051j","","x-ray","1.54184","CuKα","","0.0693","0.0597","","","0.1539","0.161","","","","","","1.02","","","","has coordinates","292913","2024-07-05","15:05:16",""
"1571353","14.6865","0.0006","15.3137","0.0006","18.9586","0.0006","87.191","0.003","67.976","0.003","65.256","0.004","3560.2","0.3","139.99","0.1","139.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C168 H142 K2 N4 O9 Si8 Tb2 -","- C164 H132 K2 N4 O8 Si8 Tb2 -","- C164 H132 K2 N4 O8 Si8 Tb2 -","1","0.5","","Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.","Chemical science","2024","15","18","6874","6883","10.1039/d4sc00051j","","x-ray","1.54184","CuKα","","0.0378","0.0335","","","0.0841","0.0871","","","","","","1.018","","","","has coordinates","292913","2024-07-05","15:05:16",""
"1571354","14.0838","0.0014","14.2282","0.0017","21.775","0.003","77.38","0.01","74.179","0.009","63.234","0.011","3725","0.9","200","0.11","200","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C88.5 H72 K O4 Si4 Tb -","- C85 H68 K O4 Si4 Tb -","- C170 H136 K2 O8 Si8 Tb2 -","2","1","","Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.","Chemical science","2024","15","18","6874","6883","10.1039/d4sc00051j","","x-ray","1.54184","CuKα","","0.1308","0.085","","","0.2142","0.2509","","","","","","1.0844","","","","has coordinates,has disorder","292913","2024-07-05","15:05:16",""
"1571355","13.1108","0.0012","12.0581","0.0011","18.0846","0.0016","90","","108.199","0.003","90","","2716","0.4","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","silicon bisamidinate","(N,N'-dimethylbutylamidinate)dichlorosilane","","- C22 H46 Cl2 N4 Si -","- C22 H46 Cl2 N4 Si -","- C88 H184 Cl8 N16 Si4 -","4","0.5","","Parker, Megan A.; De Marco, Maria Letizia; Castro-Grijalba, Alexander; Ghoridi, Anissa; Portehault, David; Pechev, Stanislav; Hillard, Elizabeth A.; Lacomme, Sabrina; Bessière, Aurélie; Cunin, Frédérique; Rosa, Patrick; Gonidec, Mathieu; Drisko, Glenna L.","Size-tunable silicon nanoparticles synthesized in solution <i>via</i> a redox reaction.","Nanoscale","2024","16","16","7958","7964","10.1039/d3nr05793c","","","0.71073","MoKα","","0.055","0.033","","","0.0734","0.081","","","","","","1.034","","","","has coordinates","291664","2024-05-05","03:41:27",""
"1571356","19.0635","0.0002","15.8724","0.0002","21.4307","0.0002","90","","91.957","0.001","90","","6480.79","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H35 N9 O4 -","- C33 H35 N9 O4 -","- C264 H280 N72 O32 -","8","2","","Li, Xing-Chi; Cheng, Ying; Wang, Xu-Dong; Tong, Shuo; Wang, Mei-Xiang","<i>De novo</i> synthesis of inherently chiral heteracalix[4]aromatics from enantioselective macrocyclization enabled by chiral phosphoric acid-catalyzed intramolecular S<sub>N</sub>Ar reaction.","Chemical science","2024","15","10","3610","3615","10.1039/d3sc06436k","","","1.54184","CuKα","","0.0542","0.0472","","","0.1293","0.1355","","","","","","1.027","","","","has coordinates,has disorder","290771","2024-04-04","00:51:18",""
"1571357","10.0108","0.0002","12.9368","0.0003","17.2186","0.0004","105.174","0.002","98.881","0.002","107.685","0.002","1983.04","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H43 N9 O4 -","- C45 H43 N9 O4 -","- C90 H86 N18 O8 -","2","1","","Li, Xing-Chi; Cheng, Ying; Wang, Xu-Dong; Tong, Shuo; Wang, Mei-Xiang","<i>De novo</i> synthesis of inherently chiral heteracalix[4]aromatics from enantioselective macrocyclization enabled by chiral phosphoric acid-catalyzed intramolecular S<sub>N</sub>Ar reaction.","Chemical science","2024","15","10","3610","3615","10.1039/d3sc06436k","","","1.54184","CuKα","","0.0373","0.0365","","","0.0922","0.0928","","","","","","0.999","","","","has coordinates","290771","2024-04-04","00:51:19",""
"1571358","11.1997","0.0001","11.6776","0.0002","15.8142","0.0003","74.25","0.002","73.224","0.001","70.731","0.002","1833.45","0.06","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","lxc-200-3","","- C40 H40 Br N9 O4 -","- C40 H40 Br N9 O4 -","- C80 H80 Br2 N18 O8 -","2","1","","Li, Xing-Chi; Cheng, Ying; Wang, Xu-Dong; Tong, Shuo; Wang, Mei-Xiang","<i>De novo</i> synthesis of inherently chiral heteracalix[4]aromatics from enantioselective macrocyclization enabled by chiral phosphoric acid-catalyzed intramolecular S<sub>N</sub>Ar reaction.","Chemical science","2024","15","10","3610","3615","10.1039/d3sc06436k","","x-ray","1.54184","CuKα","","0.0325","0.0313","","","0.0801","0.0808","","","","","","1.033","","","","has coordinates","290771","2024-04-04","00:51:19",""
"1571359","24.616","0.0007","13.0934","0.0005","9.9979","0.0003","90","","90","","90","","3222.39","0.18","99.99","0.1","99.99","0.1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C34 H37 N9 O4 -","- C34 H37 N9 O4 -","- C136 H148 N36 O16 -","4","1","","Li, Xing-Chi; Cheng, Ying; Wang, Xu-Dong; Tong, Shuo; Wang, Mei-Xiang","<i>De novo</i> synthesis of inherently chiral heteracalix[4]aromatics from enantioselective macrocyclization enabled by chiral phosphoric acid-catalyzed intramolecular S<sub>N</sub>Ar reaction.","Chemical science","2024","15","10","3610","3615","10.1039/d3sc06436k","","x-ray","1.54184","CuKα","","0.0468","0.042","","","0.1057","0.114","","","","","","1.116","","","","has coordinates,has disorder","290771","2024-04-04","00:51:19",""
"1571360","14.2497","0.0002","36.7753","0.0005","14.495","0.0002","90","","90","","90","","7595.92","0.18","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C34.5 H38 Cl N9 O5 -","- C34.5 H37 Cl N9 O5 -","- C276 H296 Cl8 N72 O40 -","8","1","","Li, Xing-Chi; Cheng, Ying; Wang, Xu-Dong; Tong, Shuo; Wang, Mei-Xiang","<i>De novo</i> synthesis of inherently chiral heteracalix[4]aromatics from enantioselective macrocyclization enabled by chiral phosphoric acid-catalyzed intramolecular S<sub>N</sub>Ar reaction.","Chemical science","2024","15","10","3610","3615","10.1039/d3sc06436k","","","1.54184","CuKα","","0.0893","0.0857","","","0.2538","0.2575","","","","","","1.202","","","","has coordinates,has disorder","290771","2024-04-04","00:51:20",""
"1571361","17.0775","0.0001","17.0775","0.0001","48.3005","0.0003","90","","90","","120","","12199.2","0.13","100","2","100","2","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C36.25 H42 N9 O4.5 -","- C36.25 H41 N9 O4.5 -","- C435 H492 N108 O54 -","12","1","","Li, Xing-Chi; Cheng, Ying; Wang, Xu-Dong; Tong, Shuo; Wang, Mei-Xiang","<i>De novo</i> synthesis of inherently chiral heteracalix[4]aromatics from enantioselective macrocyclization enabled by chiral phosphoric acid-catalyzed intramolecular S<sub>N</sub>Ar reaction.","Chemical science","2024","15","10","3610","3615","10.1039/d3sc06436k","","","1.54184","CuKα","","0.0571","0.0539","","","0.1454","0.1486","","","","","","1.014","","","","has coordinates,has disorder","290771","2024-04-04","00:51:20",""
"1571362","18.719","0.004","21.435","0.004","30.531","0.006","72.94","0.03","89.08","0.03","88.27","0.03","11706","4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C157 H222 N66 O60.5 Pd8 S4 -","- C157 H222 N66 O60.5 Pd8 S4 -","- C314 H444 N132 O121 Pd16 S8 -","2","1","","Prajapati, Dharmraj; Bhandari, Pallab; Zangrando, Ennio; Mukherjee, Partha Sarathi","A water-soluble Pd<sub>4</sub> molecular tweezer for selective encapsulation of isomeric quinones and their recyclable extraction.","Chemical science","2024","15","10","3616","3624","10.1039/d3sc05093a","","","0.7","synchrotron","","0.0607","0.0571","","","0.175","0.1789","","","","","","1.025","","","","has coordinates,has disorder","290772","2024-04-04","00:51:50",""
"1571363","24.228","0.0007","19.8535","0.0004","27.1355","0.0009","90","","114.199","0.004","90","","11905.5","0.7","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H100 Fe K N2 O9 Si -","- C57 H100 Fe K N2 O9 Si -","- C456 H800 Fe8 K8 N16 O72 Si8 -","8","2","","Bhutto, Samuel M.; Hooper, Reagan X.; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Iron(iv) alkyl complexes: electronic structure contributions to Fe-C bond homolysis and migration reactions that form N-C bonds from N<sub>2</sub>.","Chemical science","2024","15","10","3485","3494","10.1039/d3sc05939a","","","0.71073","MoKα","","0.0889","0.0725","","","0.168","0.1809","","","","","","1.107","","","","has coordinates","290773","2024-04-04","00:53:15",""
"1571364","10.6104","0.0005","20.3504","0.0008","17.3268","0.0008","90","","95.909","0.004","90","","3721.4","0.3","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H57 Fe N4 Si2 -","- C35 H57 Fe N4 Si2 -","- C140 H228 Fe4 N16 Si8 -","4","1","","Bhutto, Samuel M.; Hooper, Reagan X.; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Iron(iv) alkyl complexes: electronic structure contributions to Fe-C bond homolysis and migration reactions that form N-C bonds from N<sub>2</sub>.","Chemical science","2024","15","10","3485","3494","10.1039/d3sc05939a","","","1.54184","CuKα","","0.1047","0.0819","","","0.2318","0.2464","","","","","","1.087","","","","has coordinates,has disorder","290773","2024-04-04","00:53:16",""
"1571365","8.6993","0.0004","12.0566","0.0004","18.0449","0.0006","88.974","0.003","82.392","0.003","83.828","0.003","1865.07","0.12","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H60 Fe N4 Si2 -","- C36 H60 Fe N4 Si2 -","- C72 H120 Fe2 N8 Si4 -","2","1","","Bhutto, Samuel M.; Hooper, Reagan X.; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Iron(iv) alkyl complexes: electronic structure contributions to Fe-C bond homolysis and migration reactions that form N-C bonds from N<sub>2</sub>.","Chemical science","2024","15","10","3485","3494","10.1039/d3sc05939a","","","1.54184","CuKα","","0.06","0.0533","","","0.1468","0.1613","","","","","","1.16","","","","has coordinates,has disorder","290773","2024-04-04","00:53:16",""
"1571366","10.38","0.0004","11.5329","0.0004","20.2705","0.0006","76","0.003","82.547","0.003","72.992","0.003","2247","0.14","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H68 Fe N4 Si3 -","- C39 H68 Fe N4 Si3 -","- C78 H136 Fe2 N8 Si6 -","2","1","","Bhutto, Samuel M.; Hooper, Reagan X.; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Iron(iv) alkyl complexes: electronic structure contributions to Fe-C bond homolysis and migration reactions that form N-C bonds from N<sub>2</sub>.","Chemical science","2024","15","10","3485","3494","10.1039/d3sc05939a","","","1.54184","CuKα","","0.0488","0.0455","","","0.1182","0.1211","","","","","","1.051","","","","has coordinates","290773","2024-04-04","00:53:16",""
"1571367","10.1151","0.0001","17.6923","0.0002","20.5843","0.0003","90","","90","","90","","3683.75","0.08","93","2","93","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C35 H57 Fe N3 Si2 -","- C35 H57 Fe N3 Si2 -","- C140 H228 Fe4 N12 Si8 -","4","0.5","","Bhutto, Samuel M.; Hooper, Reagan X.; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Iron(iv) alkyl complexes: electronic structure contributions to Fe-C bond homolysis and migration reactions that form N-C bonds from N<sub>2</sub>.","Chemical science","2024","15","10","3485","3494","10.1039/d3sc05939a","","","1.54184","CuKα","","0.0521","0.0488","","","0.1297","0.1324","","","","","","1.1","","","","has coordinates,has disorder","290773","2024-04-04","00:53:17",""
"1571368","13.0503","0.0006","13.4395","0.0006","20.4096","0.0007","83.732","0.003","71.934","0.004","66.707","0.004","3125.4","0.3","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H88 Fe K N2 O8 -","- C56 H88 Fe K N2 O8 -","- C112 H176 Fe2 K2 N4 O16 -","2","1","","Bhutto, Samuel M.; Hooper, Reagan X.; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Iron(iv) alkyl complexes: electronic structure contributions to Fe-C bond homolysis and migration reactions that form N-C bonds from N<sub>2</sub>.","Chemical science","2024","15","10","3485","3494","10.1039/d3sc05939a","","","1.54184","CuKα","","0.0901","0.0734","","","0.1986","0.2118","","","","","","1.045","","","","has coordinates,has disorder","290773","2024-04-04","00:53:17",""
"1571369","11.9946","0.0002","19.7217","0.0003","17.1523","0.0003","90","","95.257","0.001","90","","4040.38","0.12","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H62 Fe N4 Si2 -","- C41 H62 Fe N4 Si2 -","- C164 H248 Fe4 N16 Si8 -","4","1","","Bhutto, Samuel M.; Hooper, Reagan X.; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Iron(iv) alkyl complexes: electronic structure contributions to Fe-C bond homolysis and migration reactions that form N-C bonds from N<sub>2</sub>.","Chemical science","2024","15","10","3485","3494","10.1039/d3sc05939a","","","1.54184","CuKα","","0.0313","0.0295","","","0.0733","0.0744","","","","","","1.037","","","","has coordinates","290773","2024-04-04","00:53:17",""
"1571370","4.00906","0.00004","11.18764","0.0001","28.593","0.0002","90","","90","","90","","1282.45","0.019","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 N O5 -","- C14 H11 N O5 -","- C56 H44 N4 O20 -","4","1","","Mondal, Saikat; Reddy, C. Malla; Saha, Subhankar","Crystal property engineering using molecular-supramolecular equivalence: mechanical property alteration in hydrogen bonded systems.","Chemical science","2024","15","10","3578","3587","10.1039/d3sc06462j","","","1.54184","CuKα","","0.0402","0.0387","","","0.1019","0.1035","","","","","","1.1213","","","","has coordinates,has disorder","290774","2024-04-04","00:54:35",""
"1571371","4.0056","0.0002","11.2133","0.0004","28.6053","0.0011","90","","90","","90","","1284.84","0.09","288","15","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 Br0.1 N0.9 O4.8 -","- C14 H10 Br0.1 N0.9 O4.8 -","- C56 H40 Br0.4 N3.6 O19.2 -","4","1","","Mondal, Saikat; Reddy, C. Malla; Saha, Subhankar","Crystal property engineering using molecular-supramolecular equivalence: mechanical property alteration in hydrogen bonded systems.","Chemical science","2024","15","10","3578","3587","10.1039/d3sc06462j","","","1.54184","CuKα","","0.0579","0.0484","","","0.1301","0.1362","","","","","","1.064","","","","has coordinates,has disorder","290774","2024-04-04","00:54:36",""
"1571372","6.9794","0.0001","7.6259","0.0001","12.3471","0.0001","93.144","0.001","97.362","0.001","94.061","0.001","648.752","0.014","100.01","0.12","100.01","0.12","","","","","","","","4","P 1","P 1","1","","","","- C15 H13 N O5 -","- C15 H13 N O5 -","- C30 H26 N2 O10 -","2","2","","Mondal, Saikat; Reddy, C. Malla; Saha, Subhankar","Crystal property engineering using molecular-supramolecular equivalence: mechanical property alteration in hydrogen bonded systems.","Chemical science","2024","15","10","3578","3587","10.1039/d3sc06462j","","x-ray","1.54184","CuKα","","0.0346","0.0345","","","0.0925","0.0927","","","","","","0.99","","","","has coordinates","290774","2024-04-04","00:54:36",""
"1571373","3.9536","0.0001","11.245","0.0001","30.6382","0.0005","90","","90","","90","","1362.12","0.04","285","12","285","12","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N O5 -","- C15 H13 N O5 -","- C60 H52 N4 O20 -","4","1","","Mondal, Saikat; Reddy, C. Malla; Saha, Subhankar","Crystal property engineering using molecular-supramolecular equivalence: mechanical property alteration in hydrogen bonded systems.","Chemical science","2024","15","10","3578","3587","10.1039/d3sc06462j","","","1.54184","CuKα","","0.0445","0.0416","","","0.1199","0.1231","","","","","","1.073","","","","has coordinates,has disorder","290774","2024-04-04","00:54:36",""
"1571374","6.8843","0.0006","29.823","0.003","10.8712","0.001","90","","102.271","0.003","90","","2181","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 B Fe O4 -","- C24 H27 B Fe O4 -","- C96 H108 B4 Fe4 O16 -","4","1","","Raj, Gowtham; Vasudev, D. S.; Christopher, Sarah; Babulal, Anupama; Harsha, P.; Ram, Soumakanya; Tiwari, Mehul; Sauer, Markus; Varghese, Reji","Multifunctional siRNA/ferrocene/cyclodextrin nanoparticles for enhanced chemodynamic cancer therapy.","Nanoscale","2024","16","7","3755","3763","10.1039/d3nr06071c","","","0.71073","MoKα","","0.0803","0.0549","","","0.1355","0.1498","","","","","","1.075","","","","has coordinates","290786","2024-04-04","11:44:41",""
"1571375","11.43405","0.00006","11.43405","0.00006","25.89293","0.00013","90","","90","","120","","2931.65","0.03","149.99","0.1","149.99","0.1","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C25 H25.17 N O2.08 -","- C25 H25.1666 N O2.0833 -","- C150 H151 N6 O12.4998 -","6","1","","Chen, Bin; Pan, Bendu; He, Xiaobo; Jiang, Long; Chan, Albert S. C.; Qiu, Liqin","Access to chiral dihydrophenanthridines <i>via</i> a palladium(0)-catalyzed Suzuki coupling and C-H arylation cascade reaction using new chiral-bridged biphenyl bifunctional ligands.","Chemical science","2024","15","18","6884","6890","10.1039/d4sc00621f","","x-ray","1.54184","CuKα","","0.0275","0.0272","","","0.0729","0.0733","","","","","","1.026","","","","has coordinates,has disorder","292914","2024-07-05","15:05:26",""
"1571376","19.2401","0.001","12.1579","0.0007","10.1312","0.0006","90","","90","","90","","2369.9","0.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H28 Mn N4 O5 -","- C24 H28 Mn N4 O5 -","- C96 H112 Mn4 N16 O20 -","4","0.5","","Boro, Mridul; Baishya, Trishnajyoti; Frontera, Antonio; Barceló-Oliver, Miquel; Bhattacharyya, Manjit K.","Energetic Features of H-Bonded and π-Stacked Assemblies in Pyrazole-Based Coordination Compounds of Mn(II) and Cu(II): Experimental and Theoretical Studies","Crystals","2024","14","4","318","","10.3390/cryst14040318","","","1.54178","CuKα","","0.0434","0.0414","","","0.1109","0.1133","","","","","","1.086","","","","has coordinates","291081","2024-04-05","05:50:41",""
"1571377","15.6899","0.0005","10.7161","0.0003","11.3062","0.0004","90","","90","","90","","1900.96","0.11","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H26 Cu N4 O4 -","- C18 H26 Cu N4 O4 -","- C72 H104 Cu4 N16 O16 -","4","0.5","","Boro, Mridul; Baishya, Trishnajyoti; Frontera, Antonio; Barceló-Oliver, Miquel; Bhattacharyya, Manjit K.","Energetic Features of H-Bonded and π-Stacked Assemblies in Pyrazole-Based Coordination Compounds of Mn(II) and Cu(II): Experimental and Theoretical Studies","Crystals","2024","14","4","318","","10.3390/cryst14040318","","","1.54178","CuKα","","0.0482","0.0475","","","0.1395","0.1402","","","","","","1.143","","","","has coordinates","291082","2024-04-05","05:50:56",""
"1571378","5.0459","0.0009","9.373","0.002","9.5454","0.0018","90","","96.187","0.018","90","","448.82","0.15","100","","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H7 F3 N4 O2 -","- C7 H7 F3 N4 O2 -","- C14 H14 F6 N8 O4 -","2","0.5","","Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana","Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides","Crystals","2024","14","4","319","","10.3390/cryst14040319","","x-ray","0.71073","MoKα","","0.0932","0.0665","","","0.1881","0.2204","","","","","","1.062","","","","has coordinates","291083","2024-04-05","05:51:24",""
"1571379","8.71","0.006","6.292","0.005","15.26","0.011","90","","90","","90","","836.3","1.1","100.15","","100.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H6 Cl2 Cu N4 -","- C5 H6 Cl2 Cu N4 -","- C20 H24 Cl8 Cu4 N16 -","4","0.5","","Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana","Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides","Crystals","2024","14","4","319","","10.3390/cryst14040319","","","0.71073","MoKα","","0.0767","0.0697","","","0.1601","0.1624","","","","","","1.344","","","","has coordinates","291083","2024-04-05","05:51:24",""
"1571380","8.924","0.002","6.3937","0.0016","15.626","0.004","90","","90","","90","","891.6","0.4","100.15","","100.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H6 Br2 Cu N4 -","- C5 H6 Br2 Cu N4 -","- C20 H24 Br8 Cu4 N16 -","4","0.5","","Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana","Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides","Crystals","2024","14","4","319","","10.3390/cryst14040319","","x-ray","0.71073","MoKα","K-L~3~","0.044","0.0328","","","0.081","0.0886","","","","","","1.073","","","","has coordinates","291083","2024-04-05","05:51:24",""
"1571381","8.6664","0.0002","6.2964","0.0002","14.894","0.0004","90","","90","","90","","812.72","0.04","100","2","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","Pyrazine Copper Chloride","","","- C5 H6 Cl2 Cu N4 -","- C5 H6 Cl2 Cu N4 -","- C20 H24 Cl8 Cu4 N16 -","4","0.5","","Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana","Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides","Crystals","2024","14","4","319","","10.3390/cryst14040319","","","1.54184","CuKα","","0.0663","0.0609","","","0.1587","0.163","","","","","","1.14","","","","has coordinates","291083","2024-04-05","05:51:25",""
"1571382","8.943","0.0002","6.4316","0.0002","15.2113","0.0003","90","","90","","90","","874.92","0.04","100","0.1","100.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H6 Br2 Cu N4 -","- C5 H6 Br2 Cu N4 -","- C20 H24 Br8 Cu4 N16 -","4","0.5","","Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana","Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides","Crystals","2024","14","4","319","","10.3390/cryst14040319","","","1.54184","CuKα","","0.0589","0.0562","","","0.1473","0.1505","","","","","","1.079","","","","has coordinates","291083","2024-04-05","05:51:25",""
"1571383","8.3731","0.0004","10.9315","0.0006","9.5637","0.0003","90","","103.022","0.004","90","","852.86","0.07","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 Cl2 Cu N3 -","- C6 H7 Cl2 Cu N3 -","- C24 H28 Cl8 Cu4 N12 -","4","1","","Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana","Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides","Crystals","2024","14","4","319","","10.3390/cryst14040319","","x-ray","0.71073","MoKα","","0.056","0.042","","","0.0889","0.098","","","","","","1.05","","","","has coordinates","291083","2024-04-05","05:51:25",""
"1571384","8.4622","0.0012","10.6392","0.0014","9.6678","0.0013","90","","99.036","0.005","90","","859.6","0.2","100.15","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 Cl2 Cu N4 -","- C5 H6 Cl2 Cu N4 -","- C20 H24 Cl8 Cu4 N16 -","4","1","","Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana","Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides","Crystals","2024","14","4","319","","10.3390/cryst14040319","","","0.71073","MoKα","","0.0343","0.0269","","","0.0674","0.0704","","","","","","1.017","","","","has coordinates","291083","2024-04-05","05:51:25",""
"1571385","12.0056","0.0009","13.9227","0.001","21.5251","0.0015","84.548","0.003","81.768","0.003","87.722","0.003","3543.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H27 F4 Ir N4 O4.25 -","- C33 H27 F4 Ir N4 O4.25 -","- C132 H108 F16 Ir4 N16 O17 -","4","2","","Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A.","Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors","Crystals","2024","14","3","281","","10.3390/cryst14030281","","","0.71073","MoKα","","0.0409","0.0362","","","0.1153","0.1205","","","","","","1.109","","","","has coordinates,has disorder","291084","2024-04-05","05:52:51",""
"1571386","20.1167","0.0011","16.8038","0.001","17.1342","0.0009","90","","107.127","0.002","90","","5535.1","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28.5 H19 Cl F4 Ir N4 O2.5 -","- C28.5 H18.9999 Cl0.9999 F4 Ir N4 O2.5 -","- C228 H151.999 Cl7.9992 F32 Ir8 N32 O20 -","8","2","","Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A.","Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors","Crystals","2024","14","3","281","","10.3390/cryst14030281","","","0.71073","MoKα","","0.0504","0.0364","","","0.0778","0.0872","","","","","","1.111","","","","has coordinates,has disorder","291084","2024-04-05","05:52:51",""
"1571387","9.3656","0.0005","16.9853","0.0008","9.5139","0.0005","90","","91.2046","0.0018","90","","1513.11","0.13","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H25 Cl4 Ir N4 O3 -","- C30 H25 Cl4 Ir N4 O3 -","- C60 H50 Cl8 Ir2 N8 O6 -","2","1","","Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A.","Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors","Crystals","2024","14","3","281","","10.3390/cryst14030281","","","0.71073","MoKα","","0.0236","0.0204","","","0.0439","0.0463","","","","","","1.038","","","","has coordinates","291084","2024-04-05","05:52:51",""
"1571388","9.3682","0.0006","16.9395","0.001","9.4088","0.0005","90","","91.347","0.002","90","","1492.69","0.15","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H25 Cl4 Ir N4 O2 -","- C30 H25 Cl4 Ir N4 O2 -","- C60 H50 Cl8 Ir2 N8 O4 -","2","1","","Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A.","Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors","Crystals","2024","14","3","281","","10.3390/cryst14030281","","","0.71073","MoKα","","0.0175","0.0164","","","0.0376","0.0396","","","","","","0.946","","","","has coordinates","291084","2024-04-05","05:52:52",""
"1571389","8.815","0.0006","12.0339","0.001","22.3146","0.0017","87.528","0.003","79.542","0.003","89.854","0.003","2325.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H15 F4 Ir N4 O2 -","- C27 H15 F4 Ir N4 O2 -","- C108 H60 F16 Ir4 N16 O8 -","4","2","","Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A.","Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors","Crystals","2024","14","3","281","","10.3390/cryst14030281","","","0.71073","MoKα","","0.0283","0.0214","","","0.0419","0.0464","","","","","","1.191","","","","has coordinates","291084","2024-04-05","05:52:52",""
"1571390","9.6985","0.0008","24.7164","0.0018","13.7261","0.0009","90","","93.775","0.003","90","","3283.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 Cl2 F10 Ir N6 P -","- C31 H20 Cl2 F10 Ir N6 P -","- C124 H80 Cl8 F40 Ir4 N24 P4 -","4","1","","Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A.","Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors","Crystals","2024","14","3","281","","10.3390/cryst14030281","","","0.71073","MoKα","","0.0498","0.0409","","","0.0865","0.0938","","","","","","1.067","","","","has coordinates","291084","2024-04-05","05:52:52",""
"1571391","13.8002","0.0006","14.3504","0.0006","17.3147","0.0008","72.193","0.002","89.145","0.002","89.584","0.002","3264.3","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C32.5 H24 Cl F10 Ir N6 O0.5 P -","- C32.5 H24 Cl F10 Ir N6 O0.5 P -","- C130 H96 Cl4 F40 Ir4 N24 O2 P4 -","4","2","","Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A.","Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors","Crystals","2024","14","3","281","","10.3390/cryst14030281","","","0.71073","MoKα","","0.0513","0.0404","","","0.0839","0.0944","","","","","","1.1","","","","has coordinates,has disorder","291084","2024-04-05","05:52:52",""
"1571392","8.6227","0.0009","13.5061","0.0013","16.6738","0.0015","104.272","0.003","94.651","0.004","90.132","0.004","1875.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H32 Cl2 F10 Ir N6 P -","- C37 H32 Cl2 F10 Ir N6 P -","- C74 H64 Cl4 F20 Ir2 N12 P2 -","2","1","","Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A.","Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors","Crystals","2024","14","3","281","","10.3390/cryst14030281","","","0.71073","MoKα","","0.0274","0.0242","","","0.0561","0.0587","","","","","","1.123","","","","has coordinates","291084","2024-04-05","05:52:52",""
"1571393","10.8324","0.0004","16.0987","0.0006","31.5748","0.001","90","","90","","90","","5506.3","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H22 F6 Ir N6 P -","- C30 H22 F6 Ir N6 P -","- C240 H176 F48 Ir8 N48 P8 -","8","1","","Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A.","Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors","Crystals","2024","14","3","281","","10.3390/cryst14030281","","","0.71073","MoKα","","0.0478","0.0319","","","0.0599","0.0707","","","","","","1.219","","","","has coordinates","291084","2024-04-05","05:52:52",""
"1571394","10.1298","0.0006","10.14","0.0006","24.4558","0.0013","84.557","0.005","85.566","0.005","78.612","0.005","2447","0.2","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C56 H90 Si -","- C56 H90 Si -","- C112 H180 Si2 -","2","1","","Mochihara, Kazuki; Morimoto, Tatsuto; Ota, Kei; Marumoto, Shinsuke; Hashizume, Daisuke; Matsuo, Tsukasa","Approach to the “Missing” Diarylsilylene: Formation, Characterization, and Intramolecular C–H Bond Activation of Blue Diarylsilylenes with Bulky Rind Groups","International Journal of Molecular Sciences","2024","25","7","3761","","10.3390/ijms25073761","","x-ray","0.71073","MoKα","","0.1496","0.0768","","","0.163","0.1914","","","","","","1.023","","","","has coordinates","291085","2024-04-05","11:49:03",""
"1571395","32.72","0.007","18.594","0.004","16.662","0.004","90","","104.756","0.003","90","","9803","4","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C56 H90 Si -","- C56 H90 Si -","- C448 H720 Si8 -","8","1","","Mochihara, Kazuki; Morimoto, Tatsuto; Ota, Kei; Marumoto, Shinsuke; Hashizume, Daisuke; Matsuo, Tsukasa","Approach to the “Missing” Diarylsilylene: Formation, Characterization, and Intramolecular C–H Bond Activation of Blue Diarylsilylenes with Bulky Rind Groups","International Journal of Molecular Sciences","2024","25","7","3761","","10.3390/ijms25073761","","","0.71073","MoKα","","0.0969","0.0757","","","0.1704","0.1823","","","","","","1.098","","","","has coordinates,has disorder","291086","2024-04-05","11:49:26",""
"1571396","12.9236","0.0003","18.9633","0.0004","20.6577","0.0005","90","","102.518","0.002","90","","4942.3","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H92 O Si -","- C56 H92 O Si -","- C224 H368 O4 Si4 -","4","1","","Mochihara, Kazuki; Morimoto, Tatsuto; Ota, Kei; Marumoto, Shinsuke; Hashizume, Daisuke; Matsuo, Tsukasa","Approach to the “Missing” Diarylsilylene: Formation, Characterization, and Intramolecular C–H Bond Activation of Blue Diarylsilylenes with Bulky Rind Groups","International Journal of Molecular Sciences","2024","25","7","3761","","10.3390/ijms25073761","","","0.71073","MoKα","","0.0657","0.0455","","","0.107","0.1147","","","","","","1.048","","","","has coordinates,has disorder","291087","2024-04-05","11:49:47",""
"1571397","4.8569","0.0005","6.4389","0.0007","8.7323","0.001","87.837","0.004","74.463","0.004","83.06","0.004","261.17","0.05","300","2","300","2","","","","","","","","2","P -1","-P 1","2","","","","- Al3.12 Fe1.63 -","- Al3.121 Fe1.629 -","- Al12.484 Fe6.516 -","4","2","","Liu, Yibo; Fan, Changzeng; Wen, Bin; Xu, Zhefeng; Fu, Ruidong; Zhang, Lifeng","Orientation Relationship of Intergrowth Al2Fe and Al5Fe2 Intermetallics Determined by Single-Crystal X-ray Diffraction","Metals","2024","14","3","337","","10.3390/met14030337","","","0.71073","MoKα","","0.0831","0.0543","","","0.096","0.1044","","","","","","1.057","","","","has coordinates,has disorder","291088","2024-04-05","14:31:22",""
"1571398","7.635","0.003","6.392","0.002","4.2007","0.0014","90","","90","","90","","205.01","0.12","300","2","300","2","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Al2.86 Fe -","- Al2.86 Fe -","- Al11.44 Fe4 -","4","0.25","","Liu, Yibo; Fan, Changzeng; Wen, Bin; Xu, Zhefeng; Fu, Ruidong; Zhang, Lifeng","Orientation Relationship of Intergrowth Al2Fe and Al5Fe2 Intermetallics Determined by Single-Crystal X-ray Diffraction","Metals","2024","14","3","337","","10.3390/met14030337","","","0.71073","MoKα","","0.0611","0.0363","","","0.0763","0.0844","","","","","","1.017","","","","has coordinates","291089","2024-04-05","14:31:36",""
"1571399","13.8153","0.0004","5.447","0.0002","9.6098","0.0003","90","","90","","90","","723.16","0.04","100.15","","100.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- F6 O3 Pb2 Se Si -","- F6 O3 Pb2 Se Si -","- F24 O12 Pb8 Se4 Si4 -","4","0.5","","Li, Peng-Fei; Hu, Chun-Li; Mao, Jiang-Gao; Kong, Fang","Pb<sub>2</sub>(SeO<sub>3</sub>)(SiF<sub>6</sub>): the first selenite fluorosilicate with a wide bandgap and large birefringence achieved through perfluorinated group modification.","Chemical science","2024","15","19","7104","7110","10.1039/d4sc01376j","","","0.71073","MoKα","","0.0199","0.0189","","","0.0459","0.0465","","","","","","1.03","","","","has coordinates","292885","2024-07-05","14:16:06",""
"1571400","9.2665","0.0011","16.7883","0.0016","6.7319","0.0009","90","","90","","90","","1047.3","0.2","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C6 H5.5 N0.5 O -","- C6 H5.5 N0.5 O -","- C48 H44 N4 O8 -","8","1","","Ye, Xingchen; Pan, Huaijin; Huang, Yong; Chen, Jiean; Wang, Zhaofeng","Photochemical three-component assembly of tri-substituted oxazoles through a carbenic phosphorus-nitrile hybrid ylide formation/trapping cascade.","Chemical science","2024","15","17","6515","6521","10.1039/d4sc01355g","","x-ray","0.71073","MoKα","","0.0687","0.0499","","","0.1216","0.1358","","","","","","1.022","","","","has coordinates,has disorder","291561","2024-05-05","01:34:55",""
"1571401","10.8146","0.0001","14.7684","0.0002","15.0422","0.0002","90","","93.05","0.001","90","","2399.05","0.05","303.33","0.1","303.33","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 B F4 N O P -","- C25 H25 B F4 N O P -","- C100 H100 B4 F16 N4 O4 P4 -","4","1","","Ye, Xingchen; Pan, Huaijin; Huang, Yong; Chen, Jiean; Wang, Zhaofeng","Photochemical three-component assembly of tri-substituted oxazoles through a carbenic phosphorus-nitrile hybrid ylide formation/trapping cascade.","Chemical science","2024","15","17","6515","6521","10.1039/d4sc01355g","","x-ray","1.54184","CuKα","","0.0469","0.0445","","","0.1298","0.1317","","","","","","1.109","","","","has coordinates","291561","2024-05-05","01:35:00",""
"1571402","7.4015","0.0004","8.5478","0.0006","11.0934","0.0005","96.71","0.004","92.275","0.004","111.131","0.006","647.62","0.07","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H11 Br0.97 N O3 -","- C15 H11 Br0.975 N O3 -","- C30 H22 Br1.95 N2 O6 -","2","1","","Wang, Zhuoer; Cao, Zhaozhen; Hao, Aiyou; Xing, Pengyao","Pnictogen bonding in imide derivatives for chiral folding and self-assembly.","Chemical science","2024","15","18","6924","6933","10.1039/d4sc00554f","","x-ray","0.71073","MoKα","","0.0704","0.0488","","","0.1232","0.1404","","","","","","1.199","","","","has coordinates,has disorder","292912","2024-07-05","15:04:22",""
"1571403","9.5671","0.0002","6.22015","0.00011","14.7354","0.0003","90","","104.31","0.002","90","","849.68","0.03","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H16 Br N O3 -","- C21 H16 Br N O3 -","- C42 H32 Br2 N2 O6 -","2","1","","Wang, Zhuoer; Cao, Zhaozhen; Hao, Aiyou; Xing, Pengyao","Pnictogen bonding in imide derivatives for chiral folding and self-assembly.","Chemical science","2024","15","18","6924","6933","10.1039/d4sc00554f","","x-ray","1.54184","CuKα","","0.0383","0.037","","","0.0985","0.0999","","","","","","1.047","","","","has coordinates","292912","2024-07-05","15:04:22",""
"1571404","8.6432","0.0006","5.5418","0.0003","22.9285","0.0012","90","","99","0.006","90","","1084.73","0.11","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Br2 N2 O6 -","- C22 H20 Br2 N2 O6 -","- C44 H40 Br4 N4 O12 -","2","1","","Wang, Zhuoer; Cao, Zhaozhen; Hao, Aiyou; Xing, Pengyao","Pnictogen bonding in imide derivatives for chiral folding and self-assembly.","Chemical science","2024","15","18","6924","6933","10.1039/d4sc00554f","","","0.71073","MoKα","","0.0694","0.039","","","0.0724","0.0827","","","","","","1.009","","","","has coordinates","292912","2024-07-05","15:04:22",""
"1571405","7.3573","0.0004","8.0361","0.0006","21.7154","0.0013","90","","93.798","0.006","90","","1281.08","0.14","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Br0.97 N O3 -","- C15 H11 Br0.9689 N O3 -","- C60 H44 Br3.8756 N4 O12 -","4","1","","Wang, Zhuoer; Cao, Zhaozhen; Hao, Aiyou; Xing, Pengyao","Pnictogen bonding in imide derivatives for chiral folding and self-assembly.","Chemical science","2024","15","18","6924","6933","10.1039/d4sc00554f","","x-ray","0.71073","MoKα","","0.0829","0.0542","","","0.1049","0.1114","","","","","","1.171","","","","has coordinates,has disorder","292912","2024-07-05","15:04:22",""
"1571406","6.3065","0.0003","13.7236","0.0004","34.6883","0.0012","90","","90","","90","","3002.2","0.2","173","0.1","173","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H28 Br2 N3 O6 -","- C34 H28 Br2 N2 O6 -","- C136 H112 Br8 N8 O24 -","4","1","","Wang, Zhuoer; Cao, Zhaozhen; Hao, Aiyou; Xing, Pengyao","Pnictogen bonding in imide derivatives for chiral folding and self-assembly.","Chemical science","2024","15","18","6924","6933","10.1039/d4sc00554f","","x-ray","1.54184","CuKα","","0.1362","0.1254","","","0.3595","0.3757","","","","","","1.546","","","","has coordinates","292912","2024-07-05","15:04:22",""
"1571407","10.6039","0.0003","8.8338","0.0002","15.3191","0.0003","90","","92.902","0.002","90","","1433.14","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","(3R,5S)-5-([1,1'-biphenyl]-4-ylmethyl)-3-methylpyrrolidin-2-one","","- C18 H19 N O -","- C18 H19 N O -","- C72 H76 N4 O4 -","4","2","","Chen, Long; Qu, Ge; Cai, Zhiqiang; Yuan, Bo; Sun, Zhoutong","Synthesis of a sacubitril precursor via the construction of one-pot chemoenzymatic cascades","Catalysis Science & Technology","2024","14","10","2817","2824","10.1039/D4CY00145A","","x-ray","1.54184","CuKα","","0.0405","0.0355","","","0.1035","0.1061","","","","","","1.14","","","","has coordinates","292753","2024-07-05","12:57:37",""
"1571408","23.6038","0.0016","12.3774","0.0009","17.1095","0.0011","90","","90","","90","","4998.6","0.6","170","","170","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C59 H44 F6 O7 S4 -","- C59 H44 F6 O7 S4 -","- C236 H176 F24 O28 S16 -","4","0.5","","Sun, Jinghui; Yan, Yifei; Chen, Xuanxuan; Huang, Zhiwei; Huang, Yinhua","Palladium-catalyzed regio- and stereo-selective phosphination of cyclic biarylsulfonium salts to access atropoisomeric phosphines.","Chemical science","2024","15","18","6943","6948","10.1039/d4sc00446a","","","1.34139","GaKα","","0.1018","0.0667","","","0.1613","0.1835","","","","","","1.042","","","","has coordinates,has disorder","292911","2024-07-05","15:04:12",""
"1571409","8.1621","0.0003","11.298","0.0004","16.5498","0.0006","90","","94.61","0.002","90","","1521.21","0.1","170","","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H31 P S -","- C40 H31 P S -","- C80 H62 P2 S2 -","2","1","","Sun, Jinghui; Yan, Yifei; Chen, Xuanxuan; Huang, Zhiwei; Huang, Yinhua","Palladium-catalyzed regio- and stereo-selective phosphination of cyclic biarylsulfonium salts to access atropoisomeric phosphines.","Chemical science","2024","15","18","6943","6948","10.1039/d4sc00446a","","","0.71073","MoKα","","0.0401","0.0371","","","0.0925","0.0951","","","","","","1.074","","","","has coordinates","292911","2024-07-05","15:04:12",""
"1571410","11.039","0.0006","15.1879","0.0008","16.0708","0.0007","112.211","0.002","104.135","0.002","103.663","0.002","2251.2","0.2","170","","170","","","","","","","","","4","P 1","P 1","1","","","","- C39 H29 P S -","- C39 H29 P S -","- C117 H87 P3 S3 -","3","3","","Sun, Jinghui; Yan, Yifei; Chen, Xuanxuan; Huang, Zhiwei; Huang, Yinhua","Palladium-catalyzed regio- and stereo-selective phosphination of cyclic biarylsulfonium salts to access atropoisomeric phosphines.","Chemical science","2024","15","18","6943","6948","10.1039/d4sc00446a","","","0.71073","MoKα","","0.0591","0.047","","","0.1012","0.1094","","","","","","1.08","","","","has coordinates","292911","2024-07-05","15:04:13",""
"1571411","9.2907","0.0003","14.7314","0.0004","21.2629","0.0006","90","","90","","90","","2910.15","0.15","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H39 O3 P -","- C34 H39 O3 P -","- C136 H156 O12 P4 -","4","1","","Patra, Jatin; Nair, Akshay M.; Volla, Chandra M. R.","Expedient radical phosphonylations <i>via</i> ligand to metal charge transfer on bismuth.","Chemical science","2024","15","19","7136","7143","10.1039/d4sc00692e","","x-ray","0.71073","MoKα","","0.0565","0.0467","","","0.1063","0.1149","","","","","","1.044","","","","has coordinates","292882","2024-07-05","14:15:38",""
"1571412","8.7082","0.0005","11.7522","0.0005","20.0325","0.0012","90","","90","","90","","2050.14","0.19","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 O5 P -","- C24 H21 O5 P -","- C96 H84 O20 P4 -","4","1","","Patra, Jatin; Nair, Akshay M.; Volla, Chandra M. R.","Expedient radical phosphonylations <i>via</i> ligand to metal charge transfer on bismuth.","Chemical science","2024","15","19","7136","7143","10.1039/d4sc00692e","","x-ray","0.71073","MoKα","","0.0616","0.0525","","","0.1323","0.1491","","","","","","0.881","","","","has coordinates","292882","2024-07-05","14:15:38",""
"1571413","12.6015","0.0003","16.8085","0.0002","14.3074","0.0003","90","","112.713","0.002","90","","2795.47","0.1","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H24 Cl3 O3 P -","- C32 H23 O3 P -","- C128 H92 O12 P4 -","4","1","","Patra, Jatin; Nair, Akshay M.; Volla, Chandra M. R.","Expedient radical phosphonylations <i>via</i> ligand to metal charge transfer on bismuth.","Chemical science","2024","15","19","7136","7143","10.1039/d4sc00692e","","x-ray","0.71073","MoKα","","0.0681","0.0597","","","0.1533","0.1606","","","","","","1.062","","","","has coordinates","292882","2024-07-05","14:15:38",""
"1571414","7.5376","0.0009","7.932","0.0009","11.5935","0.0012","82.325","0.004","74.766","0.004","65.24","0.003","607.1","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H7 Br2 I -","- C12 H7 Br2 I -","- C24 H14 Br4 I2 -","2","1","","Carter Martos, Daniel; de Abreu, Maxime; Hauk, Pascal; Fackler, Philipp; Wencel-Delord, Joanna","Easy access to polyhalogenated biaryls: regioselective (di)halogenation of hypervalent bromines and chlorines.","Chemical science","2024","15","18","6770","6776","10.1039/d4sc01234h","","","0.71073","MoKα","","0.0399","0.0288","","","0.0641","0.0688","","","","","","1.019","","","","has coordinates","292910","2024-07-05","15:04:00",""
"1571415","7.5445","0.0003","7.7965","0.0003","11.5759","0.0004","81.165","0.001","73.519","0.001","64.541","0.001","589.13","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H7 Br Cl I -","- C12 H7 Br Cl I -","- C24 H14 Br2 Cl2 I2 -","2","1","","Carter Martos, Daniel; de Abreu, Maxime; Hauk, Pascal; Fackler, Philipp; Wencel-Delord, Joanna","Easy access to polyhalogenated biaryls: regioselective (di)halogenation of hypervalent bromines and chlorines.","Chemical science","2024","15","18","6770","6776","10.1039/d4sc01234h","","","0.71073","MoKα","","0.0234","0.0202","","","0.0425","0.0439","","","","","","1.094","","","","has coordinates","292910","2024-07-05","15:04:01",""
"1571416","7.3449","0.0002","15.539","0.0003","8.8357","0.0002","90","","104.827","0.001","90","","974.86","0.04","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 Cl O -","- C13 H7 Cl O -","- C52 H28 Cl4 O4 -","4","1","","Carter Martos, Daniel; de Abreu, Maxime; Hauk, Pascal; Fackler, Philipp; Wencel-Delord, Joanna","Easy access to polyhalogenated biaryls: regioselective (di)halogenation of hypervalent bromines and chlorines.","Chemical science","2024","15","18","6770","6776","10.1039/d4sc01234h","","","0.71073","MoKα","","0.0324","0.0308","","","0.085","0.0865","","","","","","1.059","","","","has coordinates","292910","2024-07-05","15:04:01",""
"1571417","7.4022","0.0003","7.8572","0.0003","11.338","0.0004","83.992","0.001","76.446","0.001","65.073","0.001","581.33","0.04","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H7 Br3 -","- C12 H7 Br3 -","- C24 H14 Br6 -","2","1","","Carter Martos, Daniel; de Abreu, Maxime; Hauk, Pascal; Fackler, Philipp; Wencel-Delord, Joanna","Easy access to polyhalogenated biaryls: regioselective (di)halogenation of hypervalent bromines and chlorines.","Chemical science","2024","15","18","6770","6776","10.1039/d4sc01234h","","","0.71073","MoKα","","0.0287","0.0236","","","0.055","0.0574","","","","","","1.033","","","","has coordinates","292910","2024-07-05","15:04:01",""
"1571418","17.6518","0.0002","9.34996","0.00012","24.7713","0.0003","90","","105.336","0.0014","90","","3942.77","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H38 Mg N4 O -","- C48 H38 Mg N4 O -","- C192 H152 Mg4 N16 O4 -","4","1","","Meher, Sushanta Kumar; Nayak, Prakash; Dhala, Sasmita; Tripathy, Swetapadma; Venkatasubbaiah, Krishnan","Magnesium-porphyrin as an efficient photocatalyst for the transformation of CO2 to cyclic carbonates and oxazolidinones under ambient conditions","Catalysis Science & Technology","2024","14","11","3125","3130","10.1039/D4CY00246F","","x-ray","1.54184","CuKα","","0.0606","0.0546","","","0.1621","0.1685","","","","","","1.0418","","","","has coordinates,has disorder","292759","2024-07-05","12:59:37",""
"1571419","63.7924","0.001","9.6005","0.0001","17.2224","0.0002","90","","90.202","0.001","90","","10547.6","0.2","223.15","","223.15","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C3 H3 F3 Li N O3 S -","- C3 H3 F3 Li N O3 S -","- C180 H180 F180 Li60 N60 O180 S60 -","60","15","","Philippi, Frederik; Middendorf, Maleen; Shigenobu, Keisuke; Matsuyama, Yuna; Palumbo, Oriele; Pugh, David; Sudoh, Taku; Dokko, Kaoru; Watanabe, Masayoshi; Schönhoff, Monika; Shinoda, Wataru; Ueno, Kazuhide","Evolving better solvate electrolytes for lithium secondary batteries.","Chemical science","2024","15","19","7342","7358","10.1039/d4sc01492h","","","1.54184","CuKα","","0.0624","0.0568","","","0.1364","0.1406","","","","","","1.029","","","","has coordinates,has disorder","292890","2024-07-05","14:58:10",""
"1571420","5.544","0.0002","9.2231","0.0002","10.2431","0.0002","80.255","0.002","83.499","0.002","86.548","0.002","512.43","0.02","223.15","","223.15","","","","","","","","","7","P -1","-P 1","2","","","","- C5 H9 F3 Li N O3 S -","- C5 H9 F3 Li N O3 S -","- C10 H18 F6 Li2 N2 O6 S2 -","2","1","","Philippi, Frederik; Middendorf, Maleen; Shigenobu, Keisuke; Matsuyama, Yuna; Palumbo, Oriele; Pugh, David; Sudoh, Taku; Dokko, Kaoru; Watanabe, Masayoshi; Schönhoff, Monika; Shinoda, Wataru; Ueno, Kazuhide","Evolving better solvate electrolytes for lithium secondary batteries.","Chemical science","2024","15","19","7342","7358","10.1039/d4sc01492h","","x-ray","1.54184","CuKα","","0.0659","0.0632","","","0.1781","0.1828","","","","","","1.125","","","","has coordinates","292890","2024-07-05","14:58:10",""
"1571421","5.4317","0.0002","7.1254","0.0003","8.5194","0.0003","95.165","0.003","96.669","0.003","104.049","0.003","315.3","0.02","223.15","","223.15","","","","","","","","","5","P -1","-P 1","2","","","","- C4 H4 N2 O2 S -","- C4 H4 N2 O2 S -","- C8 H8 N4 O4 S2 -","2","1","","Philippi, Frederik; Middendorf, Maleen; Shigenobu, Keisuke; Matsuyama, Yuna; Palumbo, Oriele; Pugh, David; Sudoh, Taku; Dokko, Kaoru; Watanabe, Masayoshi; Schönhoff, Monika; Shinoda, Wataru; Ueno, Kazuhide","Evolving better solvate electrolytes for lithium secondary batteries.","Chemical science","2024","15","19","7342","7358","10.1039/d4sc01492h","","x-ray","1.54184","CuKα","","0.0314","0.0308","","","0.0795","0.0799","","","","","","1.068","","","","has coordinates","292890","2024-07-05","14:58:10",""
"1571422","24.3674","0.0012","5.7733","0.0002","24.0521","0.0008","90","","105.238","0.004","90","","3264.7","0.2","223.15","","223.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H19 F3 Li N O4 S2 -","- C10 H19 F3 Li N O4 S2 -","- C80 H152 F24 Li8 N8 O32 S16 -","8","1","","Philippi, Frederik; Middendorf, Maleen; Shigenobu, Keisuke; Matsuyama, Yuna; Palumbo, Oriele; Pugh, David; Sudoh, Taku; Dokko, Kaoru; Watanabe, Masayoshi; Schönhoff, Monika; Shinoda, Wataru; Ueno, Kazuhide","Evolving better solvate electrolytes for lithium secondary batteries.","Chemical science","2024","15","19","7342","7358","10.1039/d4sc01492h","","","1.54184","CuKα","","0.0767","0.0639","","","0.1895","0.1994","","","","","","1.115","","","","has coordinates,has disorder","292890","2024-07-05","14:58:10",""
"1571423","10.398","0.0002","19.9938","0.0003","22.173","0.0004","90","","95.895","0.002","90","","4585.29","0.14","223.15","","223.15","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C24 H44 F12 Li4 N4 O14 S5 -","- C24 H44 F12 Li4 N4 O14 S5 -","- C96 H176 F48 Li16 N16 O56 S20 -","4","0.5","","Philippi, Frederik; Middendorf, Maleen; Shigenobu, Keisuke; Matsuyama, Yuna; Palumbo, Oriele; Pugh, David; Sudoh, Taku; Dokko, Kaoru; Watanabe, Masayoshi; Schönhoff, Monika; Shinoda, Wataru; Ueno, Kazuhide","Evolving better solvate electrolytes for lithium secondary batteries.","Chemical science","2024","15","19","7342","7358","10.1039/d4sc01492h","","x-ray","1.54184","CuKα","","0.0593","0.0543","","","0.1543","0.1601","","","","","","1.044","","","","has coordinates,has disorder","292890","2024-07-05","14:58:10",""
"1571424","6.7137","0.0003","7.9569","0.0003","11.1702","0.0004","98.12","0.003","97.915","0.004","113.035","0.004","531.3","0.04","223.15","","223.15","","","","","","","","","6","P -1","-P 1","2","","","","- C7 H9 Li N2 O3 S -","- C7 H9 Li N2 O3 S -","- C14 H18 Li2 N4 O6 S2 -","2","1","","Philippi, Frederik; Middendorf, Maleen; Shigenobu, Keisuke; Matsuyama, Yuna; Palumbo, Oriele; Pugh, David; Sudoh, Taku; Dokko, Kaoru; Watanabe, Masayoshi; Schönhoff, Monika; Shinoda, Wataru; Ueno, Kazuhide","Evolving better solvate electrolytes for lithium secondary batteries.","Chemical science","2024","15","19","7342","7358","10.1039/d4sc01492h","","","1.54184","CuKα","","0.0546","0.053","","","0.1348","0.1364","","","","","","1.103","","","","has coordinates,has disorder","292890","2024-07-05","14:58:10",""
"1571425","10.778","0.002","9.8031","0.0017","11.594","0.003","90","","117.183","0.007","90","","1089.7","0.4","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H27 B O3 P2 -","- C22 H27 B O3 P2 -","- C44 H54 B2 O6 P4 -","2","1","","Li, Longlong; Yu, Kui; An, Hejun; Cai, Xinping; Song, Qiuling","Enantioselective copper-catalyzed B-H bond insertion reaction of α-diazo phosphonates to access chiral α-boryl phosphonates.","Chemical science","2024","15","19","7130","7135","10.1039/d4sc01271b","","","0.71073","MoKα","","0.0572","0.0358","","","0.0809","0.102","","","","","","1.072","","","","has coordinates","292883","2024-07-05","14:15:48",""
"1571426","8.1744","0.0003","11.9929","0.0005","13.8763","0.0006","68.678","0.002","77.48","0.002","81.887","0.002","1234.2","0.09","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H50 Cl4 Cu N6 O6 -","- C44 H50 Cl4 Cu N6 O6 -","- C44 H50 Cl4 Cu N6 O6 -","1","0.5","","Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas","Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.","Chemical science","2024","15","19","7041","7050","10.1039/d4sc00732h","","","1.54178","CuKα","","0.0692","0.0585","","","0.152","0.1613","","","","","","1.064","","","","has coordinates","292886","2024-07-05","14:23:44",""
"1571427","8.5583","0.0009","21.737","0.003","12.8769","0.0019","90","","108.475","0.014","90","","2272.1","0.5","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 Cl4 Mn N6 O6 -","- C44 H50 Cl4 Mn N6 O6 -","- C88 H100 Cl8 Mn2 N12 O12 -","2","0.5","","Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas","Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.","Chemical science","2024","15","19","7041","7050","10.1039/d4sc00732h","","x-ray","1.54184","CuKα","","0.1362","0.0754","","","0.1829","0.2346","","","","","","0.967","","","","has coordinates","292886","2024-07-05","14:23:44",""
"1571428","8.4844","0.0001","20.9466","0.0002","12.8419","0.0001","90","","107.427","0.001","90","","2177.5","0.04","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H46 Cl4 Mg N6 O6 -","- C42 H46 Cl4 Mg N6 O6 -","- C84 H92 Cl8 Mg2 N12 O12 -","2","0.5","","Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas","Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.","Chemical science","2024","15","19","7041","7050","10.1039/d4sc00732h","","x-ray","1.54184","CuKα","","0.0463","0.0431","","","0.1135","0.1169","","","","","","1.072","","","","has coordinates","292886","2024-07-05","14:23:44",""
"1571429","11.3205","0.0004","13.1","0.0005","15.6723","0.0006","113.727","0.001","98.624","0.001","97.298","0.001","2058.1","0.13","170","2","170","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H42 Cl4 N6 O4 Zn -","- C42 H42 Cl4 N6 O4 Zn -","- C84 H84 Cl8 N12 O8 Zn2 -","2","1","","Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas","Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.","Chemical science","2024","15","19","7041","7050","10.1039/d4sc00732h","","","1.54178","CuKα","","0.0391","0.0361","","","0.0943","0.0968","","","","","","1.051","","","","has coordinates","292886","2024-07-05","14:23:44",""
"1571430","14.8231","0.0001","14.7787","0.0001","19.9676","0.0002","90","","96.879","0.001","90","","4342.74","0.06","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H44 Cl4 N6 O5 Zn -","- C42 H44 Cl4 N6 O5 Zn -","- C168 H176 Cl16 N24 O20 Zn4 -","4","1","","Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas","Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.","Chemical science","2024","15","19","7041","7050","10.1039/d4sc00732h","","x-ray","1.54184","CuKα","","0.0566","0.0486","","","0.1357","0.1454","","","","","","1.044","","","","has coordinates,has disorder","292886","2024-07-05","14:23:44",""
"1571431","21.7971","0.0005","8.3133","0.0002","21.527","0.0006","90","","90.584","0.002","90","","3900.62","0.17","170","","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H36 Cl4 Cu N6 O4 -","- C39 H36 Cl4 Cu N6 O4 -","- C156 H144 Cl16 Cu4 N24 O16 -","4","1","","Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas","Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.","Chemical science","2024","15","19","7041","7050","10.1039/d4sc00732h","","","1.54184","CuKα","","0.0717","0.0608","","","0.1626","0.175","","","","","","1.08","","","","has coordinates","292886","2024-07-05","14:23:44",""
"1571432","8.5133","0.0002","20.8959","0.0007","12.8879","0.0004","90","","107.409","0.001","90","","2187.65","0.11","170","0.1","170","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H46 Cl4 Mn N6 O6 -","- C42 H46 Cl4 Mn N6 O6 -","- C84 H92 Cl8 Mn2 N12 O12 -","2","0.5","","Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas","Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.","Chemical science","2024","15","19","7041","7050","10.1039/d4sc00732h","","","0.71073","MoKα","","0.0369","0.0311","","","0.0802","0.0852","","","","","","1.075","","","","has coordinates","292886","2024-07-05","14:23:44",""
"1571433","8.5036","0.0001","21.7792","0.0003","12.8123","0.0002","90","","108.489","0.002","90","","2250.38","0.06","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 Cl4 Mg N6 O6 -","- C44 H50 Cl4 Mg N6 O6 -","- C88 H100 Cl8 Mg2 N12 O12 -","2","0.5","","Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas","Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.","Chemical science","2024","15","19","7041","7050","10.1039/d4sc00732h","","x-ray","1.54184","CuKα","","0.0421","0.0346","","","0.0893","0.0942","","","","","","1.048","","","","has coordinates","292886","2024-07-05","14:23:44",""
"1571434","8.1316","0.0003","10.8394","0.0003","24.3849","0.0007","90","","97.503","0.003","90","","2130.92","0.12","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H46 Cl4 Cu N6 O6 -","- C42 H46 Cl4 Cu N6 O6 -","- C84 H92 Cl8 Cu2 N12 O12 -","2","0.5","","Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas","Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.","Chemical science","2024","15","19","7041","7050","10.1039/d4sc00732h","","x-ray","1.54184","CuKα","","0.0595","0.0526","","","0.1443","0.1532","","","","","","1.072","","","","has coordinates,has disorder","292886","2024-07-05","14:23:44",""
"1571435","15.7556","0.0003","15.5699","0.0003","16.1773","0.0003","90","","109.828","0.002","90","","3733.23","0.13","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H36 Cl4 N6 O4 Zn -","- C39 H36 Cl4 N6 O4 Zn -","- C156 H144 Cl16 N24 O16 Zn4 -","4","1","","Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas","Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.","Chemical science","2024","15","19","7041","7050","10.1039/d4sc00732h","","x-ray","1.54184","CuKα","","0.058","0.0542","","","0.1465","0.1519","","","","","","1.059","","","","has coordinates","292886","2024-07-05","14:23:44",""
"1571436","14.7461","0.0003","14.5959","0.0003","19.2358","0.0003","90","","97.599","0.002","90","","4103.81","0.14","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H42 Cl4 N6 O5 Zn -","- C41 H42 Cl4 N6 O5 Zn -","- C164 H168 Cl16 N24 O20 Zn4 -","4","1","","Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas","Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.","Chemical science","2024","15","19","7041","7050","10.1039/d4sc00732h","","x-ray","1.54184","CuKα","","0.0561","0.0524","","","0.1407","0.145","","","","","","1.027","","","","has coordinates","292886","2024-07-05","14:23:44",""
"1571437","21.9901","0.0003","11.7699","0.0002","15.3428","0.0002","90","","106.646","0.001","90","","3804.63","0.1","149.95","0.15","149.95","0.15","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H36 Cl2 N4 Zn -","- C46 H36 Cl2 N4 Zn -","- C184 H144 Cl8 N16 Zn4 -","4","1","","Shonde, Tunde Blessed; Liu, He; Olasupo, Oluwadara Joshua; Bouchard, Alexander; Bouchard, Sara; Franklin, Annaliese; Lin, Xinsong; Stand, Luis M.; Ma, Biwu","Aggregation-induced emission organic metal halide complex for X-ray scintillation.","Materials horizons","2024","11","13","3076","3081","10.1039/d4mh00142g","","x-ray","1.54184","CuKα","","0.0497","0.0471","","","0.1334","0.1378","","","","","","1.085","","","","has coordinates","293298","2024-07-05","18:12:45",""
"1571438","10.7014","0.0007","11.5495","0.0006","14.4626","0.0009","96.02","0.002","109.788","0.002","111.822","0.002","1505.99","0.16","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","1","","- C22 H35 B21 -","- C22 H35 B21 -","- C44 H70 B42 -","2","1","","Li, Yijie; Tamizmani, Masilamani; Akram, Manjur O.; Martin, Caleb D.","Carborane-arene fused boracyclic analogues of polycyclic aromatic hydrocarbons accessed by intramolecular borylation.","Chemical science","2024","15","20","7568","7575","10.1039/d4sc00990h","","","0.71073","MoKα","","0.049","0.0431","","","0.118","0.1234","","","","","","1.041","","","","has coordinates","292905","2024-07-05","15:01:56",""
"1571439","11.6463","0.0003","6.9742","0.0002","26.5047","0.0008","90","","95.4","0.001","90","","2143.25","0.1","150","2","150","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","4","","- C22 H23 B11 -","- C22 H23 B11 -","- C88 H92 B44 -","4","1","","Li, Yijie; Tamizmani, Masilamani; Akram, Manjur O.; Martin, Caleb D.","Carborane-arene fused boracyclic analogues of polycyclic aromatic hydrocarbons accessed by intramolecular borylation.","Chemical science","2024","15","20","7568","7575","10.1039/d4sc00990h","","","0.71073","MoKα","","0.072","0.0541","","","0.1269","0.148","","","","","","1.07","","","","has coordinates","292905","2024-07-05","15:01:56",""
"1571440","16.7926","0.0007","11.1704","0.0004","14.4378","0.0006","90","","101.45","0.002","90","","2654.34","0.18","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","BrBPhoCb2","","- C16 H30 B21 Br -","- C16 H30 B21 Br -","- C64 H120 B84 Br4 -","4","1","","Li, Yijie; Tamizmani, Masilamani; Akram, Manjur O.; Martin, Caleb D.","Carborane-arene fused boracyclic analogues of polycyclic aromatic hydrocarbons accessed by intramolecular borylation.","Chemical science","2024","15","20","7568","7575","10.1039/d4sc00990h","","","0.71073","MoKα","","0.0417","0.0379","","","0.099","0.1013","","","","","","1.081","","","","has coordinates","292905","2024-07-05","15:01:56",""
"1571441","10.959","0.0006","15.3894","0.0007","20.917","0.0012","90","","94.611","0.002","90","","3516.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","BrB2NpoCb2","","- C25 H36 B21 Br Cl2 -","- C25 H36 B21 Br Cl2 -","- C100 H144 B84 Br4 Cl8 -","4","1","","Li, Yijie; Tamizmani, Masilamani; Akram, Manjur O.; Martin, Caleb D.","Carborane-arene fused boracyclic analogues of polycyclic aromatic hydrocarbons accessed by intramolecular borylation.","Chemical science","2024","15","20","7568","7575","10.1039/d4sc00990h","","","0.71073","MoKα","","0.0634","0.0532","","","0.1512","0.1636","","","","","","1.069","","","","has coordinates","292905","2024-07-05","15:01:56",""
"1571442","21.0576","0.0008","12.2737","0.0005","23.5735","0.001","90","","90","","90","","6092.7","0.4","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2","","- C24 H33 B21 -","- C24 H33 B21 -","- C192 H264 B168 -","8","1","","Li, Yijie; Tamizmani, Masilamani; Akram, Manjur O.; Martin, Caleb D.","Carborane-arene fused boracyclic analogues of polycyclic aromatic hydrocarbons accessed by intramolecular borylation.","Chemical science","2024","15","20","7568","7575","10.1039/d4sc00990h","","","0.71073","MoKα","","0.0649","0.0619","","","0.1513","0.1532","","","","","","1.088","","","","has coordinates","292905","2024-07-05","15:01:56",""
"1571443","11.4807","0.0005","9.3411","0.0005","18.5768","0.0009","90","","96.484","0.002","90","","1979.48","0.17","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3","","- C18 H21 B11 -","- C18 H21 B11 -","- C72 H84 B44 -","4","1","","Li, Yijie; Tamizmani, Masilamani; Akram, Manjur O.; Martin, Caleb D.","Carborane-arene fused boracyclic analogues of polycyclic aromatic hydrocarbons accessed by intramolecular borylation.","Chemical science","2024","15","20","7568","7575","10.1039/d4sc00990h","","","0.71073","MoKα","","0.0548","0.0501","","","0.1269","0.1329","","","","","","1.074","","","","has coordinates","292905","2024-07-05","15:01:56",""
"1571444","10.8811","0.0012","10.8811","0.0012","31.653","0.005","90","","90","","120","","3245.6","0.7","100","","100","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C2.57 H3.86 Cu0.14 N0.86 O0.86 -","- C2.57143 H3.28571 Cu0.142857 N0.857143 O0.571429 -","- C108 H138 Cu6 N36 O24 -","42","7","","Maniappan, Sonia; Dutta, Camelia; Cheran, Arunima; Solís, Diego M; Kumar, Jatish","Engineering copper plasmonic chirality <i>via</i> ligand-induced dissolution for enantioselective recognition of amino acids.","Chemical science","2024","15","19","7121","7129","10.1039/d4sc00477a","","","0.71073","MoKα","","0.0601","0.0576","","","0.1435","0.1447","","","","","","1.123","","","","has coordinates","292888","2024-07-05","14:57:09",""
"1571445","10.9067","0.0008","10.9067","0.0008","31.97","0.004","90","","90","","120","","3293.5","0.5","100","","100","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C2.571 H4.146 Cu0.143 N0.857 O -","- C2.57143 H3.28571 Cu0.142857 N0.857143 O0.571429 -","- C108 H138 Cu6 N36 O24 -","42","7","","Maniappan, Sonia; Dutta, Camelia; Cheran, Arunima; Solís, Diego M; Kumar, Jatish","Engineering copper plasmonic chirality <i>via</i> ligand-induced dissolution for enantioselective recognition of amino acids.","Chemical science","2024","15","19","7121","7129","10.1039/d4sc00477a","","","0.71073","MoKα","","0.0717","0.0677","","","0.1608","0.1631","","","","","","1.032","","","","has coordinates","292888","2024-07-05","14:57:09",""
"1571446","10.6889","0.0007","14.1596","0.0009","15.3942","0.0009","82.996","0.005","87.336","0.005","68.73","0.006","2155","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Ni3(H3sal-dahp)?DMF","C42H50N6Ni3O12","","- C42 H50 N6 Ni3 O12 -","- C42 H48 N6 Ni3 O12 -","- C84 H96 N12 Ni6 O24 -","2","1","","Li, Li; Zhao, Hui-Feng; Gan, Mei-Xing; Zhang, Tao; Li, Jia-Ning; Tao, Shi; Peng, Jing; Yu, Hai-Bin; Peng, Xu","Amorphous conversion in pyrolytic symmetric trinuclear nickel clusters trigger trifunctional electrocatalysts.","Chemical science","2024","15","20","7689","7697","10.1039/d4sc01696c","","x-ray","1.54184","CuKα","","0.0759","0.0683","","","0.1949","0.2012","","","","","","1.076","","","","has coordinates","292906","2024-07-05","15:02:05",""
"1571447","8.6747","0.0005","6.9706","0.0005","12.3186","0.0006","90","","107.234","0.006","90","","711.44","0.08","173.01","0.1","173.01","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","'2,4-dibromo-6-(3,3-dimethyl-3H-indol-2-yl)phenol'","","- C16 H13 Br2 N O -","- C16 H13 Br2 N O -","- C32 H26 Br4 N2 O2 -","2","0.5","","Stoerkler, Timothée; Ulrich, Gilles; Retailleau, Pascal; Laurent, Adèle D; Jacquemin, Denis; Massue, Julien","Experimental and theoretical comprehension of ESIPT fluorophores based on a 2-(2'-hydroxyphenyl)-3,3'-dimethylindole (HDMI) scaffold.","Chemical science","2024","15","19","7206","7218","10.1039/d4sc01937g","","x-ray","0.71073","MoKα","","0.0331","0.0199","","","0.0326","0.0347","","","","","","1.0353","","","","has coordinates","292889","2024-07-05","14:57:55",""
"1571448","8.50238","0.00018","10.0282","0.0002","12.6916","0.0003","70.6975","0.0019","89.7069","0.0017","85.8279","0.0017","1018.39","0.04","173","0.1","173","0.1","","","","","","","","4","P -1","-P 1","2","","'2,4-dibromo-6-(3,3-dimethyl-3H-indol-2-yl)phenol'","","- C26 H21 N3 O -","- C26 H21 N3 O -","- C52 H42 N6 O2 -","2","1","","Stoerkler, Timothée; Ulrich, Gilles; Retailleau, Pascal; Laurent, Adèle D; Jacquemin, Denis; Massue, Julien","Experimental and theoretical comprehension of ESIPT fluorophores based on a 2-(2'-hydroxyphenyl)-3,3'-dimethylindole (HDMI) scaffold.","Chemical science","2024","15","19","7206","7218","10.1039/d4sc01937g","","x-ray","0.71073","MoKα","","0.02","0.0153","","","0.0325","0.0336","","","","","","1.0715","","","","has coordinates","292889","2024-07-05","14:57:56",""
"1571449","8.3326","0.0002","12.8054","0.0003","32.7329","0.0008","90","","90","","90","","3492.67","0.14","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Br2 N2 O3 -","- C18 H16 Br2 N2 O3 -","- C144 H128 Br16 N16 O24 -","8","1","","Ishikawa, Soh; Yamasumi, Kazuhisa; Sugiura, Shinya; Sato, Shunsuke; Watanabe, Go; Koo, Yun Hee; Seki, Shu; Bando, Yuya; Haketa, Yohei; Shinokubo, Hiroshi; Maeda, Hiromitsu","Norcorroles as antiaromatic π-electronic systems that form dimension-controlled assemblies.","Chemical science","2024","15","20","7603","7609","10.1039/d4sc01633e","","","0.81032","Synchrotron","","0.0505","0.05","","","0.1231","0.1234","","","","","","1.121","","","","has coordinates","292908","2024-07-05","15:03:15",""
"1571450","19.513","0.008","3.9317","0.0017","18.474","0.007","90","","96.947","0.015","90","","1406.9","1","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 N4 Ni O6 -","- C36 H30 N4 Ni O6 -","- C72 H60 N8 Ni2 O12 -","2","0.5","","Ishikawa, Soh; Yamasumi, Kazuhisa; Sugiura, Shinya; Sato, Shunsuke; Watanabe, Go; Koo, Yun Hee; Seki, Shu; Bando, Yuya; Haketa, Yohei; Shinokubo, Hiroshi; Maeda, Hiromitsu","Norcorroles as antiaromatic π-electronic systems that form dimension-controlled assemblies.","Chemical science","2024","15","20","7603","7609","10.1039/d4sc01633e","","","0.71073","MoKα","","0.1183","0.0834","","","0.1605","0.1758","","","","","","1.15","","","","has coordinates","292908","2024-07-05","15:03:16",""
"1571451","8.9821","0.0001","31.6135","0.0003","12.7862","0.0002","90","","90.976","0.001","90","","3630.19","0.08","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 Br4 N4 Ni O6 -","- C36 H30 Br4 N4 Ni O6 -","- C144 H120 Br16 N16 Ni4 O24 -","4","1","","Ishikawa, Soh; Yamasumi, Kazuhisa; Sugiura, Shinya; Sato, Shunsuke; Watanabe, Go; Koo, Yun Hee; Seki, Shu; Bando, Yuya; Haketa, Yohei; Shinokubo, Hiroshi; Maeda, Hiromitsu","Norcorroles as antiaromatic π-electronic systems that form dimension-controlled assemblies.","Chemical science","2024","15","20","7603","7609","10.1039/d4sc01633e","","","1.54184","CuKα","","0.0368","0.0362","","","0.0941","0.0946","","","","","","1.075","","","","has coordinates,has disorder","292908","2024-07-05","15:03:16",""
"1571452","13.0251","0.0004","13.0786","0.0004","22.9482","0.0009","95.536","0.002","105.627","0.002","95.81","0.003","3714","0.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C54.67 H68.67 N4 Ni O6.67 -","- C54.6667 H68.6667 N4 Ni O6.66667 -","- C164 H206 N12 Ni3 O20 -","3","1.5","","Ishikawa, Soh; Yamasumi, Kazuhisa; Sugiura, Shinya; Sato, Shunsuke; Watanabe, Go; Koo, Yun Hee; Seki, Shu; Bando, Yuya; Haketa, Yohei; Shinokubo, Hiroshi; Maeda, Hiromitsu","Norcorroles as antiaromatic π-electronic systems that form dimension-controlled assemblies.","Chemical science","2024","15","20","7603","7609","10.1039/d4sc01633e","","","0.81082","Synchrotron","","0.1214","0.0875","","","0.2344","0.2634","","","","","","1.034","","","","has coordinates,has disorder","292908","2024-07-05","15:03:16",""
"1571453","15.7599","0.0016","17.6063","0.0016","15.3755","0.0014","90","","90","","90","","4266.3","0.7","100","","100","","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C48 H32 Cl2 F2 N4 O4 U2 -","- C48 H32 Cl2 F2 N4 O4 U2 -","- C192 H128 Cl8 F8 N16 O16 U8 -","4","0.5","","Rutkauskaite, Ryte; Zhang, Xiaobin; Woodward, Adam W.; Liu, Yanlin; Herrera, Gabriel; Purkis, Jamie; Woodall, Sean D.; Sarsfield, Mark; Schreckenbach, Georg; Natrajan, Louise S.; Arnold, Polly L.","The effect of ancillary ligands on hydrocarbon C-H bond functionalization by uranyl photocatalysts.","Chemical science","2024","15","18","6965","6978","10.1039/d4sc01310g","","","0.7288","synchrotron","","0.0394","0.0279","","","0.0584","0.0625","","","","","","1.032","","","","has coordinates","292916","2024-07-05","15:06:17",""
"1571454","12.2797","0.0002","12.7824","0.0002","24.6681","0.0003","90","","90","","90","","3872","0.1","99.99","0.13","99.99","0.13","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 Cl2 N4 O2 U -","- C48 H32 Cl2 N4 O2 U -","- C192 H128 Cl8 N16 O8 U4 -","4","1","","Rutkauskaite, Ryte; Zhang, Xiaobin; Woodward, Adam W.; Liu, Yanlin; Herrera, Gabriel; Purkis, Jamie; Woodall, Sean D.; Sarsfield, Mark; Schreckenbach, Georg; Natrajan, Louise S.; Arnold, Polly L.","The effect of ancillary ligands on hydrocarbon C-H bond functionalization by uranyl photocatalysts.","Chemical science","2024","15","18","6965","6978","10.1039/d4sc01310g","","x-ray","0.71073","MoKα","","0.0316","0.0246","","","0.043","0.0443","","","","","","1.021","","","","has coordinates","292916","2024-07-05","15:06:17",""
"1571455","9.0602","0.0001","18.1719","0.0002","15.7262","0.0002","90","","97.135","0.001","90","","2569.13","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Cl2 N2 O3 U -","- C28 H24 Cl2 N2 O3 U -","- C112 H96 Cl8 N8 O12 U4 -","4","1","","Rutkauskaite, Ryte; Zhang, Xiaobin; Woodward, Adam W.; Liu, Yanlin; Herrera, Gabriel; Purkis, Jamie; Woodall, Sean D.; Sarsfield, Mark; Schreckenbach, Georg; Natrajan, Louise S.; Arnold, Polly L.","The effect of ancillary ligands on hydrocarbon C-H bond functionalization by uranyl photocatalysts.","Chemical science","2024","15","18","6965","6978","10.1039/d4sc01310g","","x-ray","0.71073","MoKα","","0.0202","0.0167","","","0.0363","0.0371","","","","","","1.033","","","","has coordinates","292916","2024-07-05","15:06:17",""
"1571456","14.4589","0.0002","26.3459","0.0004","14.4152","0.0002","90","","89.399","0.001","90","","5490.92","0.14","99.98","0.12","99.98","0.12","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H42 Cl6 N4 O4 U2 -","- C60 H42 Cl6 N4 O4 U2 -","- C240 H168 Cl24 N16 O16 U8 -","4","0.5","","Rutkauskaite, Ryte; Zhang, Xiaobin; Woodward, Adam W.; Liu, Yanlin; Herrera, Gabriel; Purkis, Jamie; Woodall, Sean D.; Sarsfield, Mark; Schreckenbach, Georg; Natrajan, Louise S.; Arnold, Polly L.","The effect of ancillary ligands on hydrocarbon C-H bond functionalization by uranyl photocatalysts.","Chemical science","2024","15","18","6965","6978","10.1039/d4sc01310g","","x-ray","0.71073","MoKα","","0.0426","0.0261","","","0.0547","0.0623","","","","","","1.063","","","","has coordinates,has disorder","292916","2024-07-05","15:06:17",""
"1571457","11.1956","0.0005","16.7938","0.0007","21.6192","0.001","90","","94.677","0.002","90","","4051.2","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H62 N7 P -","- C35 H62 N7 P -","- C140 H248 N28 P4 -","4","1","","Wen, Lang-Qi; Chen, Wei; Ren, Wei-Min; Lu, Xiao-Bing; Zhou, Hui","N,N′-Bis(imidazolyl)guanidinylphosphines: powerful initiators for conjugate-addition polymerization of Michael-type monomers","Polymer Chemistry","2024","15","18","1877","1883","10.1039/D3PY01231J","","","0.71073","MoKα","","0.1179","0.0661","","","0.1802","0.2055","","","","","","1.037","","","","has coordinates,has disorder","293295","2024-07-05","18:10:42",""
"1571458","11.3245","0.0015","18.881","0.003","17.927","0.002","90","","98.208","0.004","90","","3793.8","0.9","272","","272","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H50 N7 P S2 -","- C36 H50 N7 P S2 -","- C144 H200 N28 P4 S8 -","4","1","","Wen, Lang-Qi; Chen, Wei; Ren, Wei-Min; Lu, Xiao-Bing; Zhou, Hui","N,N′-Bis(imidazolyl)guanidinylphosphines: powerful initiators for conjugate-addition polymerization of Michael-type monomers","Polymer Chemistry","2024","15","18","1877","1883","10.1039/D3PY01231J","","","0.71073","MoKα","","0.1229","0.0671","","","0.1509","0.172","","","","","","1.098","","","","has coordinates","293295","2024-07-05","18:10:51",""
"1571459","7.0744","0.0001","13.6038","0.0003","20.6602","0.0004","98.903","0.001","96.002","0.001","101.59","0.001","1905.31","0.06","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H18 Ni4 O19 -","- C36 H18 Ni4 O19 -","- C72 H36 Ni8 O38 -","2","1","","Sikdar, Nivedita; Laha, Subhajit; Jena, Rohan; Dey, Anupam; Rahimi, Faruk Ahamed; Maji, Tapas Kumar","An adsorbate biased dynamic 3D porous framework for inverse CO<sub>2</sub> sieving over C<sub>2</sub>H<sub>2</sub>.","Chemical science","2024","15","20","7698","7706","10.1039/d3sc06611h","","","0.71073","MoKα","","0.0709","0.041","","","0.1087","0.1236","","","","","","1.06","","","","has coordinates","292904","2024-07-05","15:01:38",""
"1571460","15.6496","0.0008","15.6496","0.0008","18.1435","0.0013","90","","90","","90","","4443.5","0.5","120","2","120","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C44 H68 N2 S4 Zn -","- C44 H68 N2 S4 Zn -","- C176 H272 N8 S16 Zn4 -","4","0.5","","Seo, W. T. Michael; Riffel, Madeline N.; Oliver, Allen G.; Tsui, Emily Y.","Metal-cation-induced shifts in thiolate redox and reduced sulfur speciation.","Chemical science","2024","15","19","7332","7341","10.1039/d4sc01025f","","","0.71073","MoKα","","0.0513","0.0445","","","0.097","0.1018","","","","","","1.076","","","","has coordinates,has disorder","292884","2024-07-05","14:15:56",""
"1571461","10.9064","0.0005","18.3923","0.0011","10.9552","0.0005","90","","90.901","0.004","90","","2197.27","0.19","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 O2 S2 -","- C28 H24 O2 S2 -","- C112 H96 O8 S8 -","4","1","","Hurtado-Gallego, Juan; van der Poel, Sebastiaan; Blaschke, Matthias; Gallego, Almudena; Hsu, Chunwei; López-Nebreda, Rubén; Mayor, Marcel; Pauly, Fabian; Agraït, Nicolás; van der Zant, Herre S. J.","Benchmarking break-junction techniques: electric and thermoelectric characterization of naphthalenophanes.","Nanoscale","2024","16","22","10751","10759","10.1039/d4nr00704b","","x-ray","1.34143","GaKα","","0.1056","0.0813","","","0.2333","0.2574","","","","","","1.03","","","","has coordinates","293177","2024-07-05","17:28:38",""
"1571462","23.0173","0.0003","10.1152","0.0001","26.443","0.0003","90","","113.484","0.001","90","","5646.64","0.12","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Br N2 -","- C23 H19 Br N2 -","- C276 H228 Br12 N24 -","12","3","","Pragya, Pragya; Rangan, Krishnan; Khungar, Bharti","Detection of TNP and Sulfite Ion in Aqueous Medium by Pyrazinium-based Chemosensor","Sensors & Diagnostics","2024","","","","","10.1039/D3SD00345K","","x-ray","1.54184","CuKα","","0.0383","0.0361","","","0.0999","0.1014","","","","","","1.076","","","","has coordinates","291286","2024-04-19","04:10:23",""
"1571463","17.3755","0.0002","19.6061","0.0002","15.0107","0.0002","90","","103.371","0.001","90","","4975.02","0.1","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H21 N5 O7 -","- C29 H21 N5 O7 -","- C232 H168 N40 O56 -","8","1","","Pragya, Pragya; Rangan, Krishnan; Khungar, Bharti","Detection of TNP and Sulfite Ion in Aqueous Medium by Pyrazinium-based Chemosensor","Sensors & Diagnostics","2024","","","","","10.1039/D3SD00345K","","x-ray","1.54184","CuKα","","0.0592","0.0557","","","0.1389","0.1412","","","","","","1.058","","","","has coordinates","291286","2024-04-19","04:10:24",""
"1571464","15.4846","0.0003","15.4846","0.0003","12.3372","0.0004","90","","90","","90","","2958.13","0.13","114","3","110","","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","InOF-1_110K","","- C8 H3 In O5 -","- C8 H3 In O5 -","- C64 H24 In8 O40 -","8","0.5","","Liu, Zhanning; Xing, Chengyong; Wu, Shaowen; Ma, Min; Tian, Jian","Biphenyl tetracarboxylic acid-based metal-organic frameworks: a case of topology-dependent thermal expansion.","Materials horizons","2024","11","14","3345","3351","10.1039/d3mh02185h","","","1.54184","CuKα","","0.0247","0.0241","","","0.0631","0.0638","","","","","","1.128","","","","has coordinates","293946","2024-08-05","20:09:41",""
"1571465","15.4791","0.0002","15.4791","0.0002","12.3348","0.0003","90","","90","","90","","2955.45","0.09","200.06","0.1","200","","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","InOF-1_200K","","- C8 H3 In O5 -","- C8 H3 In O5 -","- C64 H24 In8 O40 -","8","0.5","","Liu, Zhanning; Xing, Chengyong; Wu, Shaowen; Ma, Min; Tian, Jian","Biphenyl tetracarboxylic acid-based metal-organic frameworks: a case of topology-dependent thermal expansion.","Materials horizons","2024","11","14","3345","3351","10.1039/d3mh02185h","","","1.54184","CuKα","","0.0225","0.0217","","","0.0623","0.0626","","","","","","1.167","","","","has coordinates","293946","2024-08-05","20:09:42",""
"1571466","15.4819","0.0002","15.4819","0.0002","12.3361","0.0003","90","","90","","90","","2956.83","0.09","150.01","0.1","150","","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","InOF-1_150K","","- C8 H3 In O5 -","- C8 H3 In O5 -","- C64 H24 In8 O40 -","8","0.5","","Liu, Zhanning; Xing, Chengyong; Wu, Shaowen; Ma, Min; Tian, Jian","Biphenyl tetracarboxylic acid-based metal-organic frameworks: a case of topology-dependent thermal expansion.","Materials horizons","2024","11","14","3345","3351","10.1039/d3mh02185h","","","1.54184","CuKα","","0.022","0.0214","","","0.0599","0.0602","","","","","","1.158","","","","has coordinates","293946","2024-08-05","20:09:42",""
"1571467","15.4763","0.0003","15.4763","0.0003","12.3336","0.0003","90","","90","","90","","2954.09","0.11","250","0.1","250","","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","InOF-1_250K","","- C8 H3 In O5 -","- C8 H3 In O5 -","- C64 H24 In8 O40 -","8","0.5","","Liu, Zhanning; Xing, Chengyong; Wu, Shaowen; Ma, Min; Tian, Jian","Biphenyl tetracarboxylic acid-based metal-organic frameworks: a case of topology-dependent thermal expansion.","Materials horizons","2024","11","14","3345","3351","10.1039/d3mh02185h","","","1.54184","CuKα","","0.0186","0.018","","","0.0512","0.0515","","","","","","1.21","","","","has coordinates","293946","2024-08-05","20:09:42",""
"1571468","15.4711","0.0002","15.4711","0.0002","12.331","0.0003","90","","90","","90","","2951.49","0.09","350","0.1","350","","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","InOF-1_350K","","- C8 H3 In O5 -","- C8 H3 In O5 -","- C64 H24 In8 O40 -","8","0.5","","Liu, Zhanning; Xing, Chengyong; Wu, Shaowen; Ma, Min; Tian, Jian","Biphenyl tetracarboxylic acid-based metal-organic frameworks: a case of topology-dependent thermal expansion.","Materials horizons","2024","11","14","3345","3351","10.1039/d3mh02185h","","","1.54184","CuKα","","0.025","0.0219","","","0.0552","0.0565","","","","","","1.111","","","","has coordinates","293946","2024-08-05","20:09:42",""
"1571469","15.4732","0.00014","15.4732","0.00014","12.3324","0.00017","90","","90","","90","","2952.62","0.06","300.1","0.18","300.1","0.18","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","InOF-1_300K","","- C8 H3 In O5 -","- C8 H3 In O5 -","- C64 H24 In8 O40 -","8","0.5","","Liu, Zhanning; Xing, Chengyong; Wu, Shaowen; Ma, Min; Tian, Jian","Biphenyl tetracarboxylic acid-based metal-organic frameworks: a case of topology-dependent thermal expansion.","Materials horizons","2024","11","14","3345","3351","10.1039/d3mh02185h","","x-ray","1.54184","CuKα","","0.0226","0.0217","","","0.062","0.0624","","","","","","1.163","","","","has coordinates","293946","2024-08-05","20:09:42",""
"1571470","22.0407","0.0006","12.4642","0.0003","18.0706","0.0005","90","","107.495","0.001","90","","4734.7","0.2","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Ethidium benzoate methanol monosolvate","8-Amino-5-ethyl-6-phenylphenanthridin-5-ium benzoate methanol monosolvate","","- C29 H29 N3 O3 -","- C29 H29 N3 O3 -","- C232 H232 N24 O24 -","8","1","TK4103","Shimazaki, Runa; Sadakiyo, Masaaki","Ethidium benzoate methanol monosolvate","IUCrData","2024","9","4","","","10.1107/S241431462400302X","","","0.71069","MoKα","","0.0688","0.0532","","","0.139","0.1504","","","","","","1.048","","","","has coordinates","291294","2024-04-19","04:54:56",""
"1571471","8.313","0.0004","7.2925","0.0004","6.4432","0.0003","90","","102.186","0.002","90","","381.8","0.03","","","293","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C3 Na2 O2 -","- C3 Na2 O2 -","- C12 Na8 O8 -","4","0.5","","Krüger, Markus; Lamann-Glees, Alexandra; Sebastian, Sean S; Siegel, Renée; Senker, Jürgen; Hempelmann, Jan; Dronskowski, Richard; Ruschewitz, Uwe","Na<sub>2</sub>C<sub>3</sub>O<sub>2</sub>: The First Crystalline Compound with the Elusive <sup>-</sup>C≡C-COO<sup>-</sup> Anion.","Angewandte Chemie (International ed. in English)","2024","","","e202402978","","10.1002/anie.202402978","powder diffraction","x-ray","0.47674","","","","","","","","","","0.0516","","","","","","","","has coordinates","291307","2024-04-21","18:51:19",""
"1571472","12.28419","0.00014","13.47791","0.00017","13.8303","0.00017","90","","90","","90","","2289.82","0.05","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H21 N O4 -","- C28 H21 N O4 -","- C112 H84 N4 O16 -","4","1","","Gaucherand, Arthur; Yen-Pon, Expédite; García-López, Diego; Naubron, Jean-Valère; Chentouf, Sara; Giorgi, Michel; Humbel, Stéphane; Jean, Marion; Rodriguez, Jean; Bonne, Damien","Padlocking dihydrofurannulation for the control of small degree of helicity built on a fused-tetracyclic core.","Chemical science","2024","15","19","7300","7307","10.1039/d4sc00745j","","x-ray","1.54184","CuKα","","0.04","0.0371","","","0.0992","0.1032","","","","","","1.025","","","","has coordinates","292887","2024-07-05","14:50:19",""
"1571473","15.4716","0.0008","10.1507","0.0008","27.2357","0.0019","90","","90","","90","","4277.3","0.5","295","","295","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C54 H38 N2 O10 -","- C54 H38 N2 O10 -","- C216 H152 N8 O40 -","4","1","","Gaucherand, Arthur; Yen-Pon, Expédite; García-López, Diego; Naubron, Jean-Valère; Chentouf, Sara; Giorgi, Michel; Humbel, Stéphane; Jean, Marion; Rodriguez, Jean; Bonne, Damien","Padlocking dihydrofurannulation for the control of small degree of helicity built on a fused-tetracyclic core.","Chemical science","2024","15","19","7300","7307","10.1039/d4sc00745j","","x-ray","1.54184","CuKα","","0.0792","0.0706","","","0.1815","0.1946","","","","","","1.04","","","","has coordinates","292887","2024-07-05","14:50:19",""
"1571474","15.316","0.0005","9.2552","0.0002","16.7635","0.0005","90","","112.958","0.004","90","","2188.05","0.13","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 Cl N O4 -","- C27 H18 Cl N O4 -","- C108 H72 Cl4 N4 O16 -","4","1","","Gaucherand, Arthur; Yen-Pon, Expédite; García-López, Diego; Naubron, Jean-Valère; Chentouf, Sara; Giorgi, Michel; Humbel, Stéphane; Jean, Marion; Rodriguez, Jean; Bonne, Damien","Padlocking dihydrofurannulation for the control of small degree of helicity built on a fused-tetracyclic core.","Chemical science","2024","15","19","7300","7307","10.1039/d4sc00745j","","x-ray","1.54184","CuKα","","0.0671","0.0473","","","0.1342","0.1692","","","","","","1.132","","","","has coordinates","292887","2024-07-05","14:50:19",""
"1571475","8.7947","0.0002","9.7683","0.0002","13.675","0.0003","78.591","0.002","74.221","0.002","66.162","0.002","1028.93","0.04","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H19 N O4 -","- C27 H19 N O4 -","- C54 H38 N2 O8 -","2","1","","Gaucherand, Arthur; Yen-Pon, Expédite; García-López, Diego; Naubron, Jean-Valère; Chentouf, Sara; Giorgi, Michel; Humbel, Stéphane; Jean, Marion; Rodriguez, Jean; Bonne, Damien","Padlocking dihydrofurannulation for the control of small degree of helicity built on a fused-tetracyclic core.","Chemical science","2024","15","19","7300","7307","10.1039/d4sc00745j","","x-ray","1.54184","CuKα","","0.0469","0.0435","","","0.1221","0.126","","","","","","1.039","","","","has coordinates","292887","2024-07-05","14:50:19",""
"1571476","10.9082","0.0006","13.462","0.0007","28.21","0.0013","90","","90","","90","","4142.5","0.4","295","","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H17 N O5 -","- C27 H17 N O5 -","- C216 H136 N8 O40 -","8","1","","Gaucherand, Arthur; Yen-Pon, Expédite; García-López, Diego; Naubron, Jean-Valère; Chentouf, Sara; Giorgi, Michel; Humbel, Stéphane; Jean, Marion; Rodriguez, Jean; Bonne, Damien","Padlocking dihydrofurannulation for the control of small degree of helicity built on a fused-tetracyclic core.","Chemical science","2024","15","19","7300","7307","10.1039/d4sc00745j","","x-ray","1.54184","CuKα","","0.097","0.0661","","","0.231","0.2934","","","","","","1.132","","","","has coordinates","292887","2024-07-05","14:50:19",""
"1571477","9.1876","0.0001","11.1452","0.0001","20.9565","0.0002","90","","90","","90","","2145.9","0.04","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H20 N2 O3 -","- C27 H20 N2 O3 -","- C108 H80 N8 O12 -","4","1","","Gaucherand, Arthur; Yen-Pon, Expédite; García-López, Diego; Naubron, Jean-Valère; Chentouf, Sara; Giorgi, Michel; Humbel, Stéphane; Jean, Marion; Rodriguez, Jean; Bonne, Damien","Padlocking dihydrofurannulation for the control of small degree of helicity built on a fused-tetracyclic core.","Chemical science","2024","15","19","7300","7307","10.1039/d4sc00745j","","x-ray","1.54184","CuKα","","0.0419","0.0404","","","0.1123","0.1142","","","","","","1.069","","","","has coordinates","292887","2024-07-05","14:50:19",""
"1571478","10.93381","0.00014","15.53317","0.00018","11.17806","0.00014","90","","92.8746","0.0012","90","","1896.06","0.04","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H16 O3 -","- C27 H16 O3 -","- C108 H64 O12 -","4","1","","Gaucherand, Arthur; Yen-Pon, Expédite; García-López, Diego; Naubron, Jean-Valère; Chentouf, Sara; Giorgi, Michel; Humbel, Stéphane; Jean, Marion; Rodriguez, Jean; Bonne, Damien","Padlocking dihydrofurannulation for the control of small degree of helicity built on a fused-tetracyclic core.","Chemical science","2024","15","19","7300","7307","10.1039/d4sc00745j","","x-ray","1.54184","CuKα","","0.0378","0.0347","","","0.0957","0.0992","","","","","","1.043","","","","has coordinates","292887","2024-07-05","14:50:19",""
"1571479","6.021","0.002","26.469","0.01","26.963","0.01","90","","90","","90","","4297","3","170","2","170","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H29 Cl Si -","- C24 H29 Cl Si -","- C192 H232 Cl8 Si8 -","8","1","","Song, Yulong; Fu, Chunling; Zheng, Jian; Ma, Shengming","Copper-catalyzed remote double functionalization of allenynes.","Chemical science","2024","15","20","7789","7794","10.1039/d4sc00034j","","","0.71073","MoKα","","0.0628","0.0408","","","0.0897","0.1023","","","","","","1.03","","","","has coordinates","292903","2024-07-05","15:01:31",""
"1571480","17.1404","0.0017","28.846","0.003","11.2819","0.001","90","","99.946","0.003","90","","5494.3","0.9","170","2","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H36 B N O5 -","- C29 H36 B N O5 -","- C232 H288 B8 N8 O40 -","8","2","","Song, Yulong; Fu, Chunling; Zheng, Jian; Ma, Shengming","Copper-catalyzed remote double functionalization of allenynes.","Chemical science","2024","15","20","7789","7794","10.1039/d4sc00034j","","","0.71073","MoKα","","0.1079","0.0809","","","0.2435","0.2754","","","","","","1.027","","","","has coordinates,has disorder","292903","2024-07-05","15:01:31",""
"1571481","6.3985","0.0003","11.144","0.0006","24.0417","0.001","90","","90","","90","","1714.29","0.14","125","","125","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 N2 O3 -","- C22 H16 N2 O3 -","- C88 H64 N8 O12 -","4","1","","Conboy, Aífe; Goodfellow, Alister S.; Kasten, Kevin; Dunne, Joanne; Cordes, David B.; Bühl, Michael; Smith, Andrew D.","De-epimerizing DyKAT of β-lactones generated by isothiourea-catalysed enantioselective [2 + 2] cycloaddition.","Chemical science","2024","15","23","8896","8904","10.1039/d4sc01410c","","x-ray","1.54184","CuKα","","0.0748","0.0539","","","0.1349","0.1545","","","","","","1.05","","","","has coordinates","292924","2024-07-05","15:07:48",""
"1571482","8.043","0.002","10.783","0.003","28.473","0.008","90","","90","","90","","2469.4","1.2","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 Cl4 N3 O4 -","- C23 H23 Cl4 N3 O4 -","- C92 H92 Cl16 N12 O16 -","4","1","","Conboy, Aífe; Goodfellow, Alister S.; Kasten, Kevin; Dunne, Joanne; Cordes, David B.; Bühl, Michael; Smith, Andrew D.","De-epimerizing DyKAT of β-lactones generated by isothiourea-catalysed enantioselective [2 + 2] cycloaddition.","Chemical science","2024","15","23","8896","8904","10.1039/d4sc01410c","","x-ray","0.71073","MoKα","","0.0533","0.0462","","","0.1321","0.139","","","","","","1.031","","","","has coordinates","292924","2024-07-05","15:07:48",""
"1571483","11.2574","0.0002","12.8335","0.0003","19.7938","0.0004","90","","90","","90","","2859.65","0.1","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H35 B S2 Si2 -","- C29 H35 B S2 Si2 -","- C116 H140 B4 S8 Si8 -","4","1","","Adachi, Yohei; Kurihara, Maho; Yamada, Kohei; Arai, Fuka; Hattori, Yuto; Yamana, Keita; Kawasaki, Riku; Ohshita, Joji","Insights into mechanistic interpretation of crystalline-state reddish phosphorescence of non-planar π-conjugated organoboron compounds.","Chemical science","2024","15","21","8127","8136","10.1039/d4sc01184h","","x-ray","0.71073","MoKα","","0.034","0.0294","","","0.0646","0.066","","","","","","1.055","","","","has coordinates","292937","2024-07-05","15:10:54",""
"1571484","9.0896","0.0004","11.2795","0.0006","15.8838","0.001","79.288","0.005","79.038","0.005","79.944","0.004","1554.47","0.15","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C35 H43 B O2 S2 -","- C35 H43 B O2 S2 -","- C70 H86 B2 O4 S4 -","2","1","","Adachi, Yohei; Kurihara, Maho; Yamada, Kohei; Arai, Fuka; Hattori, Yuto; Yamana, Keita; Kawasaki, Riku; Ohshita, Joji","Insights into mechanistic interpretation of crystalline-state reddish phosphorescence of non-planar π-conjugated organoboron compounds.","Chemical science","2024","15","21","8127","8136","10.1039/d4sc01184h","","x-ray","0.71073","MoKα","","0.0745","0.0464","","","0.0986","0.1076","","","","","","1.026","","","","has coordinates","292937","2024-07-05","15:10:55",""
"1571485","12.643","0.0014","13.5587","0.0015","15.527","0.0017","79.838","0.001","69.254","0.001","69.144","0.001","2322.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24.5 H11.5 B F11 S2 -","- C24.5 H11.5 B F11 S2 -","- C98 H46 B4 F44 S8 -","4","2","","Adachi, Yohei; Kurihara, Maho; Yamada, Kohei; Arai, Fuka; Hattori, Yuto; Yamana, Keita; Kawasaki, Riku; Ohshita, Joji","Insights into mechanistic interpretation of crystalline-state reddish phosphorescence of non-planar π-conjugated organoboron compounds.","Chemical science","2024","15","21","8127","8136","10.1039/d4sc01184h","","","0.71073","MoKa","","0.0597","0.0442","","","0.1027","0.1114","","","","","","1.059","","","","has coordinates","292937","2024-07-05","15:10:55",""
"1571486","16.9975","0.0018","15.1142","0.0016","8.3759","0.0009","90","","101.075","0.001","90","","2111.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H8 B F11 S2 -","- C23 H8 B F11 S2 -","- C92 H32 B4 F44 S8 -","4","1","","Adachi, Yohei; Kurihara, Maho; Yamada, Kohei; Arai, Fuka; Hattori, Yuto; Yamana, Keita; Kawasaki, Riku; Ohshita, Joji","Insights into mechanistic interpretation of crystalline-state reddish phosphorescence of non-planar π-conjugated organoboron compounds.","Chemical science","2024","15","21","8127","8136","10.1039/d4sc01184h","","","0.71073","MoKa","","0.0404","0.0339","","","0.0722","0.0758","","","","","","0.974","","","","has coordinates","292937","2024-07-05","15:10:55",""
"1571487","17.971","0.006","25.993","0.008","15.818","0.005","90","","110.657","0.005","90","","6914","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","aOHex_blue","","","- C38 H50 B O2 S2 -","- C38 H50 B O2 S2 -","- C304 H400 B8 O16 S16 -","8","2","","Adachi, Yohei; Kurihara, Maho; Yamada, Kohei; Arai, Fuka; Hattori, Yuto; Yamana, Keita; Kawasaki, Riku; Ohshita, Joji","Insights into mechanistic interpretation of crystalline-state reddish phosphorescence of non-planar π-conjugated organoboron compounds.","Chemical science","2024","15","21","8127","8136","10.1039/d4sc01184h","","","0.71073","MoKa","","0.18","0.0704","","","0.1327","0.1703","","","","","","0.986","","","","has coordinates","292937","2024-07-05","15:10:55",""
"1571488","8.297","0.0003","11.4089","0.0005","29.4395","0.0011","90","","90","","90","","2786.73","0.19","170.01","0.1","170.01","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C144 H128 O16 -","8","1","","Li, Hao-Ran; Ran, Yi-An; Zhu, Yu-Yi; Guo, Weisi; Ni, Shao-Fei; Wen, Li-Rong; Li, Ming; Zhang, Lin-Bao","Electrochemical stereoselective synthesis of polysubstituted 1,4-dicarbonyl <i>Z</i>-alkenes <i>via</i> three-component coupling of sulfoxonium ylides and alkynes with water.","Chemical science","2024","15","21","8156","8162","10.1039/d4sc01141d","","x-ray","0.71073","MoKα","","0.0509","0.041","","","0.1103","0.1158","","","","","","1.056","","","","has coordinates","292928","2024-07-05","15:08:32",""
"1571489","10.7659","0.0004","14.5214","0.0005","11.4358","0.0005","90","","110.658","0.005","90","","1672.87","0.12","297.27","0.1","297.27","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 O2 -","- C20 H20 O2 -","- C80 H80 O8 -","4","1","","Li, Hao-Ran; Ran, Yi-An; Zhu, Yu-Yi; Guo, Weisi; Ni, Shao-Fei; Wen, Li-Rong; Li, Ming; Zhang, Lin-Bao","Electrochemical stereoselective synthesis of polysubstituted 1,4-dicarbonyl <i>Z</i>-alkenes <i>via</i> three-component coupling of sulfoxonium ylides and alkynes with water.","Chemical science","2024","15","21","8156","8162","10.1039/d4sc01141d","","x-ray","0.71073","MoKα","","0.0644","0.0537","","","0.1632","0.1706","","","","","","1.09","","","","has coordinates","292928","2024-07-05","15:08:32",""
"1571490","7.7777","0.0003","8.0764","0.0003","25.7905","0.0009","90","","90","","90","","1620.05","0.1","173","2","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O -","- C22 H20 O -","- C88 H80 O4 -","4","1","","Ding, Bo; Xue, Qilin; Wei, Han; Chen, Jiangwei; Liu, Ze-Shui; Cheng, Hong-Gang; Cong, Hengjiang; Tang, Jianting; Zhou, Qianghui","Enantioconvergent synthesis of chiral fluorenols from racemic secondary alcohols <i>via</i> Pd(ii)/chiral norbornene cooperative catalysis.","Chemical science","2024","15","21","7975","7981","10.1039/d4sc01004c","","","1.54178","CuKα","","0.0352","0.035","","","0.0874","0.0881","","","","","","1.051","","","","has coordinates","292935","2024-07-05","15:09:47",""
"1571491","12.2029","0.0001","12.207","0.0001","20.231","0.0002","106.041","0.001","106.066","0.001","90.658","0.001","2770.52","0.05","296.88","0.15","296.88","0.15","","","","","","","","3","P 1","P 1","1","","","","- C17 H18 O2 -","- C17 H18 O2 -","- C136 H144 O16 -","8","8","","Ding, Bo; Xue, Qilin; Wei, Han; Chen, Jiangwei; Liu, Ze-Shui; Cheng, Hong-Gang; Cong, Hengjiang; Tang, Jianting; Zhou, Qianghui","Enantioconvergent synthesis of chiral fluorenols from racemic secondary alcohols <i>via</i> Pd(ii)/chiral norbornene cooperative catalysis.","Chemical science","2024","15","21","7975","7981","10.1039/d4sc01004c","","x-ray","1.54184","CuKα","","0.0329","0.0324","","","0.0885","0.089","","","","","","1.031","","","","has coordinates","292935","2024-07-05","15:09:48",""
"1571492","18.684","0.004","6.0072","0.0013","19.711","0.004","90","","102.008","0.004","90","","2163.9","0.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H19 N3 O -","- C29 H19 N3 O -","- C116 H76 N12 O4 -","4","1","","Zhou, Huayi; Li, Tengyue; Xie, Mingliang; Zhou, Yannan; Sun, Qikun; Zhang, Shi-Tong; Zhang, Yujian; Yang, Wenjun; Xue, Shanfeng","Improving electron transportation and operational lifetime of full color organic light emitting diodes through a ""weak hydrogen bonding cage"" structure.","Chemical science","2024","15","21","8106","8111","10.1039/d4sc00496e","","","0.71073","MoKα","","0.1317","0.0583","","","0.1409","0.1687","","","","","","0.783","","","","has coordinates","292934","2024-07-05","15:09:39",""
"1571493","10.056","0.0006","21.3696","0.0009","12.5648","0.0006","90","","100.161","0.002","90","","2657.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>mer</i>-Bis(quinoline-2-carboxaldehyde 4-ethylthiosemicarbazonato)nickel(II) methanol 0.33-solvate 0.67-hydrate","","- C26.33 H28.65 N8 Ni O S2 -","- C26.328 H28.656 N8 Ni O S2 -","- C105.312 H114.624 N32 Ni4 O4 S8 -","4","1","BH4083","Awang Adam, Raudhatul Nadhirah; Keasberry, Natasha Ann; Sheikh Abdul Hamid, Malai Haniti","mer-Bis(quinoline-2-carboxaldehyde 4-ethylthiosemicarbazonato)nickel(II) methanol 0.33-solvate 0.67-hydrate","IUCrData","2024","9","4","","","10.1107/S2414314624003390","","","0.71073","MoKα","","0.0385","0.0355","","","0.0808","0.0825","","","","","","1.081","","","","has coordinates,has disorder","291387","2024-04-27","02:08:25",""
"1571494","7.08","0.0003","10.6304","0.0003","11.065","0.0003","89.715","0.002","79.711","0.003","89.598","0.002","819.37","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","4-EtPyBdanI","1-Ethyl-4-(1<i>H</i>-naphtho[1,8-<i>de</i>][1,3,2]diazaborinin-2(3<i>H</i>)-yl)pyridin-1-ium iodide","","- C17 H17 B I N3 -","- C17 H17 B I N3 -","- C34 H34 B2 I2 N6 -","2","1","BX4026","Hashimoto, Shu; Okuno, Tsunehisa","4-(1H-2,3-Dihydronaphtho[1,8-de][1,3,2]diazaborinin-2-yl)-1-ethylpyridin-1-ium iodide","IUCrData","2024","9","4","","","10.1107/S2414314624003626","","x-ray","0.71073","MoKα","","0.0226","0.02","","","0.0513","0.0521","","","","","","1.074","","","","has coordinates","291388","2024-04-27","02:08:40",""
"1571495","25.8993","0.0007","6.6206","0.0002","13.4938","0.0003","90","","96.425","0.002","90","","2299.23","0.11","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","(<i>S</i>~C~,<i>R</i>~S~)-Bromido(<i>N</i>-{4-methyl-1-[(4-methylphenyl)sulfanyl]pentan-2-yl}-<i>N'</i>-(pyridin-2-yl)imidazol-2-ylidene)palladium(II) bromide","","- C21 H25 Br2 N3 Pd S -","- C21 H25 Br2 N3 Pd S -","- C84 H100 Br8 N12 Pd4 S4 -","4","1","ZL4070","Zeng, Xianggui; Xu, Yanze; Guo, Shuling; Xiao, Yongmei; Yuan, Jinwei; Yang, Liangru","(S C,R S)-Bromido(N-{4-methyl-1-[(4-methylphenyl)sulfanyl]pentan-2-yl}-N′-(pyridin-2-yl)imidazol-2-ylidene)palladium(II) bromide","IUCrData","2024","9","4","","","10.1107/S2414314624003602","","x-ray","1.54184","CuKα","","0.0336","0.0299","","","0.0698","0.0723","","","","","","1.036","","","","has coordinates","291389","2024-04-27","02:08:53",""
"1571496","8.8428","0.0005","9.2779","0.0006","9.9343","0.0004","79.126","0.004","82.732","0.004","67.279","0.006","736.99","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Poly[3-methylpyridinium [(μ~2~-dihydrogen phosphito)bis(μ~3~-hydrogen phosphito)dizinc]]","","- C6 H12 N O9 P3 Zn2 -","- C6 H12 N O9 P3 Zn2 -","- C12 H24 N2 O18 P6 Zn4 -","2","1","TK4104","Love-Jennings, Jago G.; McKay, Aidan P.; Cordes, David B.; Harrison, William T. A.","Poly[3-methylpyridinium [(μ2-dihydrogen phosphito)bis(μ3-hydrogen phosphito)dizinc]]","IUCrData","2024","9","4","","","10.1107/S2414314624003456","","","0.71073","MoKα","","0.0735","0.0501","","","0.1254","0.1342","","","","","","1.018","","","","has coordinates","291390","2024-04-27","02:09:06",""
"1571497","25.6112","0.0006","9.7565","0.0002","10.3664","0.0002","90","","95.169","0.002","90","","2579.78","0.09","100.01","0.1","100.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Germacrone","(3<i>E</i>,7<i>E</i>)-3,7-Dimethyl-10-propan-2-ylidenecyclodeca-3,7-dien-1-one","","- C15 H22 O -","- C15 H22 O -","- C120 H176 O8 -","8","1","WM4211","Meurer, Florian; Bodensteiner, Michael; Kolev, Iliyan","Redetermination of germacrone type II based on single-crystal X-ray data","IUCrData","2024","9","4","","","10.1107/S2414314624003468","","","1.54184","CuKα","","0.0344","0.0289","","","0.0733","0.0768","","","","","","1.0708","","","","has coordinates","291391","2024-04-27","02:09:22",""
"1571498","15.862","0.001","6.0503","0.0004","19.064","0.0012","90","","105.287","0.003","90","","1764.8","0.2","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2<i>E</i>,2'<i>E</i>)-1,1'-([1,1'-Biphenyl]-4,4'-diyl)bis[3-(dimethylamino)prop-2-en-1-one]","","- C22 H24 N2 O2 -","- C22 H24 N2 O2 -","- C88 H96 N8 O8 -","4","1","BX4027","Minagawa, Tomohiro; Sadakiyo, Masaaki","(2E,2′E)-1,1′-([1,1′-Biphenyl]-4,4′-diyl)bis[3-(dimethylamino)prop-2-en-1-one]","IUCrData","2024","9","4","","","10.1107/S2414314624003584","","","0.71069","MoKα","","0.0909","0.0632","","","0.1308","0.154","","","","","","1.076","","","","has coordinates","291392","2024-04-27","02:09:36",""
"1571499","6.7497","0.0009","52.478","0.007","18.832","0.003","90","","90","","90","","6670.5","1.6","130","2","130","2","","","","","","","","5","F d d 2","F 2 -2d","43","23007z","13-Nitrobenzo[<i>a</i>][1,4]benzothiazino[3,2-<i>c</i>]phenoxazine","","- C22 H11 N3 O3 S -","- C22 H11 N3 O3 S -","- C352 H176 N48 O48 S16 -","16","1","NX4001","Bader, Mamoun M.; Fiester, Cameron; Pham, Phuong-Truc T.; Bradely, Amy; Nazzal, Amjad","13-Nitrobenzo[a][1,4]benzothiazino[3,2-c]phenoxazine","IUCrData","2024","9","4","","","10.1107/S2414314624002992","","","0.71073","MoKα","","0.0366","0.0327","","","0.0841","0.087","","","","","","1.029","","","","has coordinates","291393","2024-04-27","02:09:55",""
"1571500","6.746","0.002","23.041","0.007","10.939","0.003","90","","97.616","0.005","90","","1685.3","0.9","93","2","93.35","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-(1<i>H</i>-2,3-Dihydronaphtho[1,8-<i>de</i>][1,3,2]diazaborinin-2-yl)-1-ethylpyridin-1-ium iodide monohydrate","","- C17 H19 B I N3 O -","- C17 H19 B I N3 O -","- C68 H76 B4 I4 N12 O4 -","4","1","HB4467","Hashimoto, Shu; Miki, Shintaro; Okuno, Tsunehisa","4-(1H-2,3-Dihydronaphtho[1,8-de][1,3,2]diazaborinin-2-yl)-1-ethylpyridin-1-ium iodide monohydrate","IUCrData","2024","9","4","","","10.1107/S2414314624003699","","","0.71075","MoKα","","0.0318","0.0264","","","0.0529","0.0555","","","","","","1.044","","","","has coordinates","291395","2024-04-27","02:10:09",""
"1571501","8.3455","0.0003","19.2331","0.0006","11.0134","0.0003","90","","102.491","0.003","90","","1725.92","0.1","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Bis[2,3-bis(thiophen-2-yl)pyrido[3,4-<i>b</i>]pyrazine]silver(I) perchlorate methanol disolvate","","- C32 H26 Ag Cl N6 O6 S4 -","- C32 H26 Ag Cl N6 O6 S4 -","- C64 H52 Ag2 Cl2 N12 O12 S8 -","2","1","ZL4071","Crundwell, Guy; Christiana, Rachel A.; Ouellette, Paul; Giorgetti, Andrew F.","Bis[2,3-bis(thiophen-2-yl)pyrido[3,4-b]pyrazine]silver(I) perchlorate methanol disolvate","IUCrData","2024","9","4","","","10.1107/S2414314624003444","","x-ray","0.71073","MoKα","","0.0739","0.0408","","","0.0821","0.0951","","","","","","1.014","","","","has coordinates,has disorder","291396","2024-04-27","02:10:23",""
"1571502","4.00944","","4.00944","","4.00944","","90","","90","","90","","64.454","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Ba O3 Ti -","- Ba O3 Ti -","- Ba O3 Ti -","1","0.0208333","","Namade, Lahu D.; Patil, Amitkumar R.; Jadhav, Sonali R.; Dongale, Tukaram D.; Rajpure, Keshav Y.","Exploring bipolar resistive switching behavior of sprayed BaTiO3 thin films for nonvolatile memory application","Colloids and Surfaces A: Physicochemical and Engineering Aspects","2024","692","","133902","","10.1016/j.colsurfa.2024.133902","","","","","","","","","","","","","","","","","","","","","has coordinates","291398","2024-04-27","11:18:49",""
"1571503","5.7502","0.0002","5.7502","0.0002","10.2521","0.0007","90","","90","","90","","338.98","0.03","293","2","293","2","","","","","","","","5","P -4 m 2","P -4 -2","115","","","","- Ba3 Cl F14 K Zr2 -","- Ba3 Cl F14 K Zr2 -","- Ba3 Cl F14 K Zr2 -","1","0.125","","Yan, Mei; Hu, Chun-Li; Tang, Ru-Ling; Yao, Wen-Dong; Liu, Wenlong; Guo, Sheng-Ping","KBa<sub>3</sub>M<sub>2</sub>F<sub>14</sub>Cl (M = Zr, Hf): novel short-wavelength mixed metal halides with the largest second-harmonic generation responses contributed by mixed functional moieties.","Chemical science","2024","15","22","8500","8505","10.1039/d4sc01259c","","","0.71073","MoKα","","0.0103","0.0102","","","0.0236","0.0236","","","","","","1.119","","","","has coordinates","292872","2024-07-05","14:09:36",""
"1571504","5.7439","0.0003","5.7439","0.0003","10.2541","0.0007","90","","90","","90","","338.31","0.03","293","2","293","2","","","","","","","","5","P -4 m 2","P -4 -2","115","","KBa3Hf2F14Cl","","- Ba3 Cl F14 Hf2 K -","- Ba3 Cl F14 Hf2 K -","- Ba3 Cl F14 Hf2 K -","1","0.125","","Yan, Mei; Hu, Chun-Li; Tang, Ru-Ling; Yao, Wen-Dong; Liu, Wenlong; Guo, Sheng-Ping","KBa<sub>3</sub>M<sub>2</sub>F<sub>14</sub>Cl (M = Zr, Hf): novel short-wavelength mixed metal halides with the largest second-harmonic generation responses contributed by mixed functional moieties.","Chemical science","2024","15","22","8500","8505","10.1039/d4sc01259c","","","0.71073","MoKα","","0.0139","0.0134","","","0.0292","0.0293","","","","","","1.091","","","","has coordinates","292872","2024-07-05","14:09:38",""
"1571505","7.3227","0.001","7.4727","0.0012","11.1037","0.0016","75.512","0.013","83.357","0.011","85.846","0.013","583.73","0.15","295.68","0.1","295.68","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C6 H7 F7 N2 O Sb2 -","- C6 H7 F7 N2 O Sb2 -","- C12 H14 F14 N4 O2 Sb4 -","2","1","","Wu, Jia-Hang; Hu, Chun-Li; Li, Ya-Feng; Mao, Jiang-Gao; Kong, Fang","[(C<sub>5</sub>H<sub>6</sub>N<sub>2</sub>)<sub>2</sub>H](Sb<sub>4</sub>F<sub>13</sub>): a polyfluoroantimonite with a strong second harmonic generation effect.","Chemical science","2024","15","21","8071","8079","10.1039/d4sc01716a","","x-ray","0.71073","MoKα","","0.0434","0.0303","","","0.0536","0.062","","","","","","0.995","","","","has coordinates","292933","2024-07-05","15:09:33",""
"1571506","7.2222","0.0003","8.1293","0.0004","10.3779","0.0004","101.002","0.004","105.247","0.004","106.829","0.004","538.65","0.05","250","0.1","250","0.1","","","","","","","","5","P 1","P 1","1","","","","- C10 H13 F13 N4 Sb4 -","- C10 H13 F13 N4 Sb4 -","- C10 H13 F13 N4 Sb4 -","1","1","","Wu, Jia-Hang; Hu, Chun-Li; Li, Ya-Feng; Mao, Jiang-Gao; Kong, Fang","[(C<sub>5</sub>H<sub>6</sub>N<sub>2</sub>)<sub>2</sub>H](Sb<sub>4</sub>F<sub>13</sub>): a polyfluoroantimonite with a strong second harmonic generation effect.","Chemical science","2024","15","21","8071","8079","10.1039/d4sc01716a","","x-ray","0.71073","MoKα","","0.0261","0.0244","","","0.0486","0.0504","","","","","","1.046","","","","has coordinates","292933","2024-07-05","15:09:33",""
"1571507","11.5951","0.0001","19.7465","0.0001","24.9374","0.0002","90","","96.33","0.001","90","","5674.92","0.07","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55.5 H90 B3 Mg N3 O6 -","- C55.5 H90 B3 Mg N3 O6 -","- C222 H360 B12 Mg4 N12 O24 -","4","1","","Shere, Henry T. W.; Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","The borylamino-diborata-allyl anion.","Chemical science","2024","15","21","7999","8007","10.1039/d4sc01953a","","","1.54184","CuKα","","0.043","0.0382","","","0.0991","0.1033","","","","","","1.031","","","","has coordinates,has disorder","292931","2024-07-05","15:09:13",""
"1571508","10.6784","0.0002","12.5289","0.0002","22.541","0.0003","98.706","0.001","91.35","0.001","99.801","0.001","2933.71","0.08","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C60 H94 B3 Mg N3 O6 -","- C60 H94 B3 Mg N3 O6 -","- C120 H188 B6 Mg2 N6 O12 -","2","1","","Shere, Henry T. W.; Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","The borylamino-diborata-allyl anion.","Chemical science","2024","15","21","7999","8007","10.1039/d4sc01953a","","x-ray","1.54184","CuKα","","0.0473","0.0448","","","0.1207","0.1234","","","","","","1.046","","","","has coordinates","292931","2024-07-05","15:09:13",""
"1571509","11.6016","0.0004","11.9817","0.0004","21.7312","0.0006","93.165","0.003","90.606","0.002","114.468","0.003","2743.44","0.17","149.9","0.6","149.9","0.6","","","","","","","","6","P -1","-P 1","2","","","","- C53 H89 B3 Mg N3 O6 -","- C53 H89 B3 Mg N3 O6 -","- C106 H178 B6 Mg2 N6 O12 -","2","1","","Shere, Henry T. W.; Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","The borylamino-diborata-allyl anion.","Chemical science","2024","15","21","7999","8007","10.1039/d4sc01953a","","x-ray","0.71073","MoKα","","0.0791","0.051","","","0.1142","0.1307","","","","","","1.019","","","","has coordinates,has disorder","292931","2024-07-05","15:09:13",""
"1571510","11.2516","0.0002","13.3172","0.0003","20.8818","0.0005","83.912","0.002","80.949","0.002","77.803","0.002","3011.61","0.12","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C59 H94 B3 Ca N3 O6 -","- C59 H94 B3 Ca N3 O6 -","- C118 H188 B6 Ca2 N6 O12 -","2","1","","Shere, Henry T. W.; Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","The borylamino-diborata-allyl anion.","Chemical science","2024","15","21","7999","8007","10.1039/d4sc01953a","","x-ray","1.54184","CuKα","","0.0475","0.0402","","","0.1008","0.1075","","","","","","1.024","","","","has coordinates,has disorder","292931","2024-07-05","15:09:13",""
"1571511","9.4544","0.0005","10.9663","0.0007","21.7055","0.0013","90","","102.485","0.002","90","","2197.2","0.2","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","20094z","","","- C26 H26 O5 Si -","- C26 H26 O5 Si -","- C104 H104 O20 Si4 -","4","1","","Chinta, Bhavani Shankar; Sneddon, Dorian S.; Hoye, Thomas R.","Cascade reactions of HDDA-benzynes with tethered cyclohexadienones: strain-driven events originating from <i>ortho</i>-annulated benzocyclobutenes.","Chemical science","2024","15","21","8181","8189","10.1039/d4sc00571f","","","0.71073","MoKα","","0.0565","0.0422","","","0.107","0.1173","","","","","","1.022","","","","has coordinates","292929","2024-07-05","15:08:44",""
"1571512","9.514","0.002","12.361","0.003","13.998","0.004","76.32","0.012","77.845","0.008","79.645","0.009","1548.9","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","21152z","","","- C32.5 H32.5 Cl1.5 O9 Si -","- C32.5 H32.5 Cl1.5 O9 Si -","- C65 H65 Cl3 O18 Si2 -","2","1","","Chinta, Bhavani Shankar; Sneddon, Dorian S.; Hoye, Thomas R.","Cascade reactions of HDDA-benzynes with tethered cyclohexadienones: strain-driven events originating from <i>ortho</i>-annulated benzocyclobutenes.","Chemical science","2024","15","21","8181","8189","10.1039/d4sc00571f","","","0.71073","MoKα","","0.1567","0.1068","","","0.2893","0.3364","","","","","","1.046","","","","has coordinates,has disorder","292929","2024-07-05","15:08:44",""
"1571513","12.5341","0.0006","19.6037","0.0012","13.2334","0.0006","90","","91.919","0.002","90","","3249.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","21159z","","","- C32 H42 N2 O9 Os Si -","- C32 H42 N2 O9 Os Si -","- C128 H168 N8 O36 Os4 Si4 -","4","1","","Chinta, Bhavani Shankar; Sneddon, Dorian S.; Hoye, Thomas R.","Cascade reactions of HDDA-benzynes with tethered cyclohexadienones: strain-driven events originating from <i>ortho</i>-annulated benzocyclobutenes.","Chemical science","2024","15","21","8181","8189","10.1039/d4sc00571f","","","0.71073","MoKα","","0.0477","0.0289","","","0.0565","0.0626","","","","","","1.016","","","","has coordinates","292929","2024-07-05","15:08:44",""
"1571514","12.6362","0.0007","18.9096","0.0013","25.048","0.0017","71.929","0.002","86.176","0.002","73.612","0.002","5457.3","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","the cyclopropane","","","- C247 H276 O48 Si8 -","- C247 H276 O48 Si8 -","- C247 H276 O48 Si8 -","1","0.5","","Chinta, Bhavani Shankar; Sneddon, Dorian S.; Hoye, Thomas R.","Cascade reactions of HDDA-benzynes with tethered cyclohexadienones: strain-driven events originating from <i>ortho</i>-annulated benzocyclobutenes.","Chemical science","2024","15","21","8181","8189","10.1039/d4sc00571f","","","0.71073","MoKα","","0.0742","0.0456","","","0.1033","0.1179","","","","","","1.019","","","","has coordinates,has disorder","292929","2024-07-05","15:08:44",""
"1571515","11.7365","0.0005","3.8149","0.0002","35.726","0.0015","90","","97.669","0.002","90","","1585.27","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","24047z","Benzo[<i>a</i>][1,4]benzothiazino[3,2-<i>c</i>]phenothiazine","","- C22 H12 N2 S2 -","- C22 H12 N2 S2 -","- C88 H48 N8 S8 -","4","1","OI4001","Bader, Mamoun M.; Pham, Phuong-Truc T.; Abu Khodair, Salma S.; Saleh, Maysoon I.","Benzo[a][1,4]benzothiazino[3,2-c]phenothiazine","IUCrData","2024","9","4","","","10.1107/S2414314624003572","","","0.71073","MoKα","","0.0564","0.0466","","","0.1111","0.1163","","","","","","1.059","","","","has coordinates","291432","2024-05-01","01:55:50",""
"1571516","5.924","0.0003","18.3064","0.0013","18.6204","0.0012","106.425","0.006","98.852","0.005","92.567","0.005","1905.5","0.2","240","0.1","240","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C39 H27 N3 O11 S4 Zn2 -","- C39 H27 N3 O11 S4 Zn2 -","- C78 H54 N6 O22 S8 Zn4 -","2","1","","Sun, Huili; Zhang, Qiangsheng; Meng, Liuli; Wang, Zhonghao; Fan, Yanan; Mayor, Marcel; Pan, Mei; Su, Cheng-Yong","Thermal control over phosphorescence or thermally activated delayed fluorescence in a metal-organic framework.","Chemical science","2024","15","23","8905","8912","10.1039/d4sc02030h","","x-ray","1.54184","CuKα","","0.0657","0.0536","","","0.1397","0.1488","","","","","","1.053","","","","has coordinates","292921","2024-07-05","15:07:26",""
"1571517","21.3855","0.0001","21.3855","0.0001","27.7201","0.0003","90","","90","","90","","12677.5","0.16","298","","298","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","SO2@Al-ettb","- C29 H14 Al3 O26.28 S5.14 -","- C29 H14 Al3 O26.28 S5.14 -","- C232 H112 Al24 O210.24 S41.12 -","8","0.25","","Yu, Liang; He, Meng; Yao, Jinze; Xia, Qibin; Yang, Sihai; Li, Jing; Wang, Hao","A robust aluminum-octacarboxylate framework with <b>scu</b> topology for selective capture of sulfur dioxide.","Chemical science","2024","15","22","8530","8535","10.1039/d4sc01877j","powder diffraction","","0.82439","synchrotron","","0.56943","","","","","","","","10.029","","","","","","","has coordinates","292866","2024-07-05","14:08:01",""
"1571518","21.5005","0.0006","21.5005","0.0006","28.4908","0.0011","90","","90","","90","","13170.5","0.7","150","","150","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C29 H26 Al3 O16 -","- C29 H26 Al3 O16 -","- C232 H208 Al24 O128 -","8","0.25","","Yu, Liang; He, Meng; Yao, Jinze; Xia, Qibin; Yang, Sihai; Li, Jing; Wang, Hao","A robust aluminum-octacarboxylate framework with <b>scu</b> topology for selective capture of sulfur dioxide.","Chemical science","2024","15","22","8530","8535","10.1039/d4sc01877j","","","1.34139","GaKα","","0.0857","0.079","","","0.236","0.2429","","","","","","1.107","","","","has coordinates,has disorder","292866","2024-07-05","14:08:02",""
"1571519","13.4572","0.0006","9.9639","0.0005","12.5603","0.0006","90","","102.524","0.002","90","","1644.09","0.14","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","Sarah120723","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C80 H76 N4 O12 -","4","2","","Scrivener, Sarah G.; Wang, Yi-Ming","A C-H functionalization approach to diverse nitrogenous scaffolds through conjugate addition of catalytic allyliron nucleophiles.","Chemical science","2024","15","23","8850","8857","10.1039/d4sc00655k","","","1.54184","CuKα","","0.0704","0.0695","","","0.1747","0.1759","","","","","","1.045","","","","has coordinates","292919","2024-07-05","15:06:43",""
"1571520","13.1278","0.0011","13.7431","0.0011","14.5832","0.0013","86.847","0.003","75.173","0.003","69.277","0.003","2377.1","0.4","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H38 F12 N8 O8 P2 Ru -","- C40 H38 F12 N8 O8 P2 Ru -","- C80 H76 F24 N16 O16 P4 Ru2 -","2","1","","Han, Wang-Kang; Li, Jiayu; Zhu, Ruo-Meng; Wei, Min; Xia, Shu-Kun; Fu, Jia-Xing; Zhang, Jinfang; Pang, Huan; Li, Ming-De; Gu, Zhi-Guo","Photosensitizing metal covalent organic framework with fast charge transfer dynamics for efficient CO<sub>2</sub> photoreduction.","Chemical science","2024","15","22","8422","8429","10.1039/d4sc01896f","","x-ray","0.71073","MoKα","","0.0871","0.0665","","","0.1814","0.1998","","","","","","1.024","","","","has coordinates,has disorder","292871","2024-07-05","14:09:20",""
"1571521","17.7264","0.0014","19.5316","0.0015","19.7763","0.0013","117.328","0.005","103.867","0.006","98.797","0.006","5624.4","0.9","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C206 H150 Cl4 Cu22 F24 P8 Se16.01 -","- C206 H150 Cl4 Cu22 F24 P8 Se16 -","- C206 H150 Cl4 Cu22 F24 P8 Se16 -","1","0.5","","Zhou, Huimin; Yang, Tao; Deng, Huijuan; Yun, Yapei; Jin, Shan; Xiong, Lin; Zhu, Manzhou","An insight, at the atomic level, into the structure and catalytic properties of the isomers of the Cu<sub>22</sub> cluster.","Nanoscale","2024","16","21","10318","10324","10.1039/d4nr00973h","","","1.54186","CuKα","","0.0331","0.0276","","","0.0693","0.0712","","","","","","1.031","","","","has coordinates","293182","2024-07-05","17:31:20",""
"1571522","20.2077","0.0006","29.3716","0.0009","36.4328","0.0012","90","","90","","90","","21624.1","1.2","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C204 H146 Cu22.06 F24 P8 Se16 -","- C204 H146 Cu22 F24 P8 Se16 -","- C816 H584 Cu88 F96 P32 Se64 -","4","1","","Zhou, Huimin; Yang, Tao; Deng, Huijuan; Yun, Yapei; Jin, Shan; Xiong, Lin; Zhu, Manzhou","An insight, at the atomic level, into the structure and catalytic properties of the isomers of the Cu<sub>22</sub> cluster.","Nanoscale","2024","16","21","10318","10324","10.1039/d4nr00973h","","","1.54186","CuKα","","0.0757","0.0677","","","0.1697","0.1737","","","","","","1.067","","","","has coordinates,has disorder","293182","2024-07-05","17:31:21",""
"1571523","14.9504","0.0003","16.4998","0.0003","19.5731","0.0003","90","","90","","90","","4828.27","0.15","83","2","83","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C54 H121 N8 O49 V18 -","- C54 H121 N8 O49 V18 -","- C108 H242 N16 O98 V36 -","2","0.5","","Yoshida, Isshin; Kikukawa, Yuji; Mitsuhashi, Ryoji; Hayashi, Yoshihito","Reactivity control of nitrate-incorporating octadecavanadates by changing the oxidation state and metal substitution.","Nanoscale","2024","16","22","10584","10589","10.1039/d4nr01243g","","","0.71073","MoKα","","0.0424","0.0362","","","0.0977","0.102","","","","","","1.053","","","","has coordinates,has disorder","293178","2024-07-05","17:28:49",""
"1571524","12.1612","0.0002","10.2907","0.0002","36.8655","0.0007","90","","96.834","0.002","90","","4580.84","0.15","149.98","0.14","149.98","0.14","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H34 Br2 N2 O4 -","- C48 H34 Br2 N2 O4 -","- C192 H136 Br8 N8 O16 -","4","1","","Lin, Zenggang; Zhang, Peng; Song, Fuqiang; Yang, Yuzhu; Miao, Xuan; Liu, Weisheng","Employing racemization strategies to simultaneously enhance the quantum yield, lifetime, and water stability of room-temperature phosphorescent materials.","Chemical science","2024","15","21","8052","8061","10.1039/d4sc01719f","","x-ray","1.54184","CuKα","","0.0704","0.0628","","","0.1755","0.1824","","","","","","1.045","","","","has coordinates","292930","2024-07-05","15:08:58",""
"1571525","36.1548","0.0008","10.7003","0.0002","12.0413","0.0002","90","","97.414","0.002","90","","4619.44","0.16","150","0.1","150","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C51 H42 Br2 N2 O7 -","- C51 H46 Br2 N2 O7 -","- C204 H184 Br8 N8 O28 -","4","1","","Lin, Zenggang; Zhang, Peng; Song, Fuqiang; Yang, Yuzhu; Miao, Xuan; Liu, Weisheng","Employing racemization strategies to simultaneously enhance the quantum yield, lifetime, and water stability of room-temperature phosphorescent materials.","Chemical science","2024","15","21","8052","8061","10.1039/d4sc01719f","","x-ray","1.54184","CuKα","","0.0548","0.0478","","","0.1336","0.1403","","","","","","1.129","","","","has coordinates,has disorder","292930","2024-07-05","15:08:59",""
"1571526","36.5216","0.0006","10.8114","0.0002","12.1409","0.0002","90","","97.5803","0.0016","90","","4751.94","0.14","297.74","0.18","297.74","0.18","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C48 H34 Br2 N2 O4 -","- C48 H34 Br2 N2 O4 -","- C192 H136 Br8 N8 O16 -","4","1","","Lin, Zenggang; Zhang, Peng; Song, Fuqiang; Yang, Yuzhu; Miao, Xuan; Liu, Weisheng","Employing racemization strategies to simultaneously enhance the quantum yield, lifetime, and water stability of room-temperature phosphorescent materials.","Chemical science","2024","15","21","8052","8061","10.1039/d4sc01719f","","x-ray","1.54184","CuKα","","0.0413","0.0336","","","0.0867","0.0916","","","","","","1.051","","","","has coordinates,has disorder","292930","2024-07-05","15:08:59",""
"1571527","10.42669","0.00014","12.40814","0.00015","18.05325","0.00018","79.3587","0.0009","81.0124","0.001","87.8419","0.001","2267.21","0.05","150","0.1","150","0.1","","","","","","","","5","P 1","P 1","1","","","","- C96 H70 Br4 N4 O10 -","- C96 H72 Br4 N4 O10 -","- C96 H72 Br4 N4 O10 -","1","1","","Lin, Zenggang; Zhang, Peng; Song, Fuqiang; Yang, Yuzhu; Miao, Xuan; Liu, Weisheng","Employing racemization strategies to simultaneously enhance the quantum yield, lifetime, and water stability of room-temperature phosphorescent materials.","Chemical science","2024","15","21","8052","8061","10.1039/d4sc01719f","","x-ray","1.54184","CuKα","","0.0559","0.0536","","","0.1481","0.1505","","","","","","1.045","","","","has coordinates","292930","2024-07-05","15:08:59",""
"1571528","7.7396","0.0004","26.8784","0.0014","12.574","0.0006","90","","105.563","0.003","90","","2519.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H27 Br N2 O2 -","- C31 H27 Br N2 O2 -","- C124 H108 Br4 N8 O8 -","4","1","","Grzelak, Magdalena; Kumar, Dharmendra; Kochman, Michał Andrzej; Morawiak, Maja; Wiosna-Sałyga, Gabriela; Kubas, Adam; Data, Przemysław; Lindner, Marcin","An unprecedented roll-off ratio in high-performing red TADF OLED emitters featuring 2,3-indole-annulated naphthalene imide and auxiliary donors.","Chemical science","2024","15","22","8404","8413","10.1039/d4sc01391c","","","1.54178","CuKα","","0.0944","0.0757","","","0.2273","0.2416","","","","","","1.096","","","","has coordinates","292867","2024-07-05","14:08:17",""
"1571529","16.6094","0.0006","9.5173","0.0003","27.5112","0.0009","90","","104.757","0.002","90","","4205.4","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H49 N3 O4 -","- C50 H49 N3 O4 -","- C200 H196 N12 O16 -","4","1","","Grzelak, Magdalena; Kumar, Dharmendra; Kochman, Michał Andrzej; Morawiak, Maja; Wiosna-Sałyga, Gabriela; Kubas, Adam; Data, Przemysław; Lindner, Marcin","An unprecedented roll-off ratio in high-performing red TADF OLED emitters featuring 2,3-indole-annulated naphthalene imide and auxiliary donors.","Chemical science","2024","15","22","8404","8413","10.1039/d4sc01391c","","","1.54178","CuKα","","0.1167","0.0698","","","0.1741","0.2002","","","","","","1.055","","","","has coordinates","292867","2024-07-05","14:08:17",""
"1571530","23.9323","0.0004","11.4133","0.00017","13.3857","0.0002","90","","97.5023","0.0015","90","","3624.96","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","JW 156","MMG 156","","- C44 H37 Cl2 N3 O3 -","- C44 H37 Cl2 N3 O3 -","- C176 H148 Cl8 N12 O12 -","4","1","","Grzelak, Magdalena; Kumar, Dharmendra; Kochman, Michał Andrzej; Morawiak, Maja; Wiosna-Sałyga, Gabriela; Kubas, Adam; Data, Przemysław; Lindner, Marcin","An unprecedented roll-off ratio in high-performing red TADF OLED emitters featuring 2,3-indole-annulated naphthalene imide and auxiliary donors.","Chemical science","2024","15","22","8404","8413","10.1039/d4sc01391c","","x-ray","1.54184","CuKα","","0.0547","0.0423","","","0.1097","0.1179","","","","","","1.032","","","","has coordinates,has disorder","292867","2024-07-05","14:08:17",""
"1571531","11.2686","0.0003","12.7274","0.0003","13.7006","0.0003","113.329","0.001","94.216","0.001","104.544","0.001","1713.09","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H42 N3 O4 -","- C42 H42 N3 O4 -","- C84 H84 N6 O8 -","2","1","","Grzelak, Magdalena; Kumar, Dharmendra; Kochman, Michał Andrzej; Morawiak, Maja; Wiosna-Sałyga, Gabriela; Kubas, Adam; Data, Przemysław; Lindner, Marcin","An unprecedented roll-off ratio in high-performing red TADF OLED emitters featuring 2,3-indole-annulated naphthalene imide and auxiliary donors.","Chemical science","2024","15","22","8404","8413","10.1039/d4sc01391c","","","1.54178","CuKα","","0.1371","0.0679","","","0.1836","0.2253","","","","","","0.997","","","","has coordinates","292867","2024-07-05","14:08:17",""
"1571532","11.4231","0.0004","13.6228","0.0004","44.313","0.0018","90","","90","","90","","6895.8","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C45 H36 N2 O2 -","- C45 H36 N2 O2 -","- C360 H288 N16 O16 -","8","1","","Grzelak, Magdalena; Kumar, Dharmendra; Kochman, Michał Andrzej; Morawiak, Maja; Wiosna-Sałyga, Gabriela; Kubas, Adam; Data, Przemysław; Lindner, Marcin","An unprecedented roll-off ratio in high-performing red TADF OLED emitters featuring 2,3-indole-annulated naphthalene imide and auxiliary donors.","Chemical science","2024","15","22","8404","8413","10.1039/d4sc01391c","","","1.54178","CuKα","","0.2581","0.0731","","","0.141","0.2068","","","","","","0.975","","","","has coordinates","292867","2024-07-05","14:08:17",""
"1571533","15.256","0.012","8.189","0.006","22.995","0.017","90","","93.293","0.008","90","","2868","4","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 N O P -","- C38 H26 N O P -","- C152 H104 N4 O4 P4 -","4","1","","Zhong, Daokun; Liu, Siqi; Yue, Ling; Feng, Zhao; Wang, Hongyan; Yang, Peng; Su, Bochao; Yang, Xiaolong; Sun, Yuanhui; Zhou, Guijiang","Achieving pure room temperature phosphorescence (RTP) in phenoselenazine-based organic emitters through synergism among heavy atom effect, enhanced n → π* transitions and magnified electron coupling by the A-D-A molecular configuration.","Chemical science","2024","15","24","9112","9119","10.1039/d4sc01200c","","","","","","0.132","","","","","","","","","","","","","","","has coordinates","292849","2024-07-05","13:54:17",""
"1571534","9.0789","0.0005","11.2974","0.0008","12.713","0.0008","110.2","0.006","94.41","0.005","92.531","0.005","1216.63","0.14","110","0.14","110","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 Mn2 N O11 -","- C24 H15 Mn2 N O11 -","- C48 H30 Mn4 N2 O22 -","2","1","","Eastwood, Jonathan B.; Burden, Thomas J.; Hammarback, L. Anders; Horbaczewskyj, Chris; Tanner, Theo F. N.; Clark, Ian P.; Greetham, Gregory; Towrie, Michael; Fairlamb, Ian J. S.; Lynam, Jason M.","The importance of understanding (pre)catalyst activation in versatile C-H bond functionalisations catalysed by [Mn<sub>2</sub>(CO)<sub>10</sub>].","Chemical science","2024","15","24","9183","9191","10.1039/d4sc01215a","","x-ray","0.71073","MoKα","","0.0456","0.0355","","","0.0734","0.0803","","","","","","1.062","","","","has coordinates","292853","2024-07-05","13:55:12",""
"1571535","17.3078","0.0018","17.5817","0.0018","18.5767","0.0019","79.878","0.004","73.879","0.004","87.864","0.004","5345.7","1","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C129 H104 B2 Cl N Os P4 -","- C129 H104 B2 Cl N Os P4 -","- C258 H208 B4 Cl2 N2 Os2 P8 -","2","1","","Zheng, Xuejuan; Huang, Fanping; Li, Xinyuan; Zhuo, Kaiyue; Chen, Dafa; Luo, Ming; Xia, Haiping","Isomerization reactions of metal vinylidene units.","Chemical science","2024","15","22","8443","8450","10.1039/d4sc01993h","","x-ray","1.54178","CuKα","","0.0404","0.0366","","","0.1086","0.1113","","","","","","1.088","","","","has coordinates","292868","2024-07-05","14:08:45",""
"1571536","22.014","0.003","21.683","0.003","12.1814","0.0015","90","","98.337","0.005","90","","5753.1","1.3","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C65 H53 B Cl4 F4 N Os P3 -","- C65 H53 B Cl4 F4 N Os P3 -","- C260 H212 B4 Cl16 F16 N4 Os4 P12 -","4","1","","Zheng, Xuejuan; Huang, Fanping; Li, Xinyuan; Zhuo, Kaiyue; Chen, Dafa; Luo, Ming; Xia, Haiping","Isomerization reactions of metal vinylidene units.","Chemical science","2024","15","22","8443","8450","10.1039/d4sc01993h","","x-ray","1.54178","CuKα","","0.0434","0.0359","","","0.0846","0.0896","","","","","","1.049","","","","has coordinates,has disorder","292868","2024-07-05","14:08:45",""
"1571537","10.0004","0.0013","11.4627","0.0015","27.876","0.004","101.832","0.005","93.282","0.005","91.924","0.005","3119.1","0.7","100","","100","","","","","","","","","10","P -1","-P 1","2","","","","- C71 H56 B Br Cl4 F4 N Os P3 S -","- C71 H56 B Br Cl4 F4 N Os P3 S -","- C142 H112 B2 Br2 Cl8 F8 N2 Os2 P6 S2 -","2","1","","Zheng, Xuejuan; Huang, Fanping; Li, Xinyuan; Zhuo, Kaiyue; Chen, Dafa; Luo, Ming; Xia, Haiping","Isomerization reactions of metal vinylidene units.","Chemical science","2024","15","22","8443","8450","10.1039/d4sc01993h","","x-ray","1.54178","CuKα","","0.0367","0.0356","","","0.0935","0.0943","","","","","","1.047","","","","has coordinates,has disorder","292868","2024-07-05","14:08:45",""
"1571538","15.7974","0.0005","17.7933","0.0005","20.4463","0.0006","75.963","0.001","89.72","0.001","73.086","0.001","5321","0.3","100","0.2","100","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C119 H108 B2 Cl11 N Os P4 -","- C119 H108 B2 Cl11 N Os P4 -","- C238 H216 B4 Cl22 N2 Os2 P8 -","2","1","","Zheng, Xuejuan; Huang, Fanping; Li, Xinyuan; Zhuo, Kaiyue; Chen, Dafa; Luo, Ming; Xia, Haiping","Isomerization reactions of metal vinylidene units.","Chemical science","2024","15","22","8443","8450","10.1039/d4sc01993h","","x-ray","1.54178","CuKα","","0.0516","0.0507","","","0.1336","0.1345","","","","","","1.046","","","","has coordinates","292868","2024-07-05","14:08:45",""
"1571539","9.9632","0.0009","11.5217","0.001","29.202","0.003","78.917","0.003","82.668","0.003","88.004","0.003","3262.6","0.5","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C73 H61 B Cl6 F4 N Os P3 S -","- C73 H61 B Cl6 F4 N Os P3 S -","- C146 H122 B2 Cl12 F8 N2 Os2 P6 S2 -","2","1","","Zheng, Xuejuan; Huang, Fanping; Li, Xinyuan; Zhuo, Kaiyue; Chen, Dafa; Luo, Ming; Xia, Haiping","Isomerization reactions of metal vinylidene units.","Chemical science","2024","15","22","8443","8450","10.1039/d4sc01993h","","x-ray","1.34139","GaKα","","0.0516","0.0486","","","0.1176","0.1193","","","","","","1.044","","","","has coordinates,has disorder","292868","2024-07-05","14:08:45",""
"1571540","12.5847","0.0005","20.847","0.0008","21.1394","0.0008","90","","93.812","0.001","90","","5533.7","0.4","100","0.2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H50 Cl4 N Os P3 -","- C63 H50 Cl4 N Os P3 -","- C252 H200 Cl16 N4 Os4 P12 -","4","1","","Zheng, Xuejuan; Huang, Fanping; Li, Xinyuan; Zhuo, Kaiyue; Chen, Dafa; Luo, Ming; Xia, Haiping","Isomerization reactions of metal vinylidene units.","Chemical science","2024","15","22","8443","8450","10.1039/d4sc01993h","","","1.54178","CuKα","","0.0324","0.0316","","","0.0823","0.083","","","","","","1.054","","","","has coordinates","292868","2024-07-05","14:08:45",""
"1571541","14.0545","0.0004","17.0441","0.0005","17.7828","0.0006","78.098","0.001","81.652","0.001","70.887","0.001","3924.5","0.2","100","0.2","100","0.2","","","","","","","","8","P -1","-P 1","2","","","","- C91 H76 B Cl7 N O Os P3 -","- C91 H76 B Cl7 N O Os P3 -","- C182 H152 B2 Cl14 N2 O2 Os2 P6 -","2","1","","Zheng, Xuejuan; Huang, Fanping; Li, Xinyuan; Zhuo, Kaiyue; Chen, Dafa; Luo, Ming; Xia, Haiping","Isomerization reactions of metal vinylidene units.","Chemical science","2024","15","22","8443","8450","10.1039/d4sc01993h","","x-ray","1.54184","CuKα","","0.0359","0.0358","","","0.0958","0.0958","","","","","","1.07","","","","has coordinates","292868","2024-07-05","14:08:45",""
"1571542","17.3296","0.0004","17.6406","0.0004","18.5079","0.0004","79.837","0.001","73.958","0.001","87.976","0.001","5351.8","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C129 H104 B2 Cl N P4 Ru -","- C129 H104 B2 Cl N P4 Ru -","- C258 H208 B4 Cl2 N2 P8 Ru2 -","2","1","","Zheng, Xuejuan; Huang, Fanping; Li, Xinyuan; Zhuo, Kaiyue; Chen, Dafa; Luo, Ming; Xia, Haiping","Isomerization reactions of metal vinylidene units.","Chemical science","2024","15","22","8443","8450","10.1039/d4sc01993h","","x-ray","1.54178","CuKα","","0.0423","0.0392","","","0.0971","0.099","","","","","","1.032","","","","has coordinates","292868","2024-07-05","14:08:45",""
"1571543","14.163","0.0007","14.2184","0.0007","15.9648","0.0008","98.109","0.002","106.294","0.002","101.236","0.002","2960.5","0.3","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C63 H49 Cl2 F6 N Os P4 S -","- C63 H49 Cl2 F6 N Os P4 S -","- C126 H98 Cl4 F12 N2 Os2 P8 S2 -","2","1","","Zheng, Xuejuan; Huang, Fanping; Li, Xinyuan; Zhuo, Kaiyue; Chen, Dafa; Luo, Ming; Xia, Haiping","Isomerization reactions of metal vinylidene units.","Chemical science","2024","15","22","8443","8450","10.1039/d4sc01993h","","x-ray","1.54178","CuKα","","0.0337","0.0311","","","0.0778","0.0792","","","","","","1.036","","","","has coordinates","292868","2024-07-05","14:08:45",""
"1571544","16.9627","0.0008","19.3429","0.0009","22.1477","0.001","110.864","0.002","94.765","0.002","114.869","0.002","5923.8","0.5","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C119 H100 B2 Cl N Os P4 -","- C119 H100 B2 Cl N Os P4 -","- C238 H200 B4 Cl2 N2 Os2 P8 -","2","1","","Zheng, Xuejuan; Huang, Fanping; Li, Xinyuan; Zhuo, Kaiyue; Chen, Dafa; Luo, Ming; Xia, Haiping","Isomerization reactions of metal vinylidene units.","Chemical science","2024","15","22","8443","8450","10.1039/d4sc01993h","","x-ray","1.54178","CuKα","","0.0584","0.0553","","","0.1635","0.1669","","","","","","1.026","","","","has coordinates","292868","2024-07-05","14:08:45",""
"1571545","12.4889","0.0008","4.885","0.0003","20.257","0.0012","90","","92.563","0.006","90","","1234.61","0.13","99.99","0.1","100.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 N8 -","- C30 H24 N8 -","- C60 H48 N16 -","2","0.5","","Tipping, Max B.; Pruñonosa Lara, Lidón; Solea, Atena B.; von Krbek, Larissa K. S.; Ward, Michael D.","Photoswitching of Co(ii)-based coordination cages containing azobenzene backbones.","Chemical science","2024","15","22","8488","8499","10.1039/d4sc01575d","","","1.54184","CuKα","","0.1034","0.0736","","","0.1982","0.2539","","","","","","1.092","","","","has coordinates,has disorder","292869","2024-07-05","14:09:03",""
"1571546","20.35957","0.00013","21.05549","0.00013","23.94804","0.00013","93.3668","0.0005","93.7613","0.0005","94.7042","0.0006","10188.2","0.11","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C191.88 H203.94 B7.94 Co4 F32.28 N48.11 O17.88 -","- C181.881 H151.931 B7.548 Co4 F30.672 N48.107 O1.881 -","- C363.762 H303.862 B15.096 Co8 F61.344 N96.214 O3.762 -","2","1","","Tipping, Max B.; Pruñonosa Lara, Lidón; Solea, Atena B.; von Krbek, Larissa K. S.; Ward, Michael D.","Photoswitching of Co(ii)-based coordination cages containing azobenzene backbones.","Chemical science","2024","15","22","8488","8499","10.1039/d4sc01575d","","","0.6889","","","0.0762","0.0638","","","0.1905","0.1986","","","","","","1.073","","","","has coordinates,has disorder","292869","2024-07-05","14:09:03",""
"1571547","12.942","0.0002","31.1363","0.0006","14.2239","0.0002","90","","90.943","0.001","90","","5730.97","0.16","100","0.11","100","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 N2 O4 S2 -","- C26 H44 N2 O4 S2 -","- C208 H352 N16 O32 S16 -","8","2","","Debsharma, Tapas; Purwanto, Nathan S.; Fenimore, Logan M.; Mitchell, Sarah; Kennedy, Jayme; Torkelson, John M.","BiTEMPS methacrylate dynamic covalent cross-linker providing rapid reprocessability and extrudability of covalent adaptable networks: high-yield synthesis with strong selectivity for disulfide linkages","Polymer Chemistry","2024","15","21","2167","2176","10.1039/D4PY00160E","","x-ray","1.54184","CuKα","","0.0854","0.0681","","","0.1527","0.1599","","","","","","1.081","","","","has coordinates","293296","2024-07-05","18:11:14",""
"1571548","13.9546","0.0004","20.1055","0.0006","11.0995","0.0003","90","","101.725","0.003","90","","3049.14","0.15","99.99","0.13","99.99","0.13","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 N2 O4 S4 -","- C26 H44 N2 O4 S4 -","- C104 H176 N8 O16 S16 -","4","1","","Debsharma, Tapas; Purwanto, Nathan S.; Fenimore, Logan M.; Mitchell, Sarah; Kennedy, Jayme; Torkelson, John M.","BiTEMPS methacrylate dynamic covalent cross-linker providing rapid reprocessability and extrudability of covalent adaptable networks: high-yield synthesis with strong selectivity for disulfide linkages","Polymer Chemistry","2024","15","21","2167","2176","10.1039/D4PY00160E","","x-ray","1.54184","CuKα","","0.059","0.0497","","","0.1327","0.1382","","","","","","1.09","","","","has coordinates","293296","2024-07-05","18:11:15",""
"1571549","6.2869","0.0001","9.3906","0.0002","11.5393","0.0002","89.579","0.002","78.811","0.002","86.145","0.002","666.78","0.02","100.1","0.3","100.1","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C13 H23 N O2 -","- C13 H23 N O2 -","- C26 H46 N2 O4 -","2","1","","Debsharma, Tapas; Purwanto, Nathan S.; Fenimore, Logan M.; Mitchell, Sarah; Kennedy, Jayme; Torkelson, John M.","BiTEMPS methacrylate dynamic covalent cross-linker providing rapid reprocessability and extrudability of covalent adaptable networks: high-yield synthesis with strong selectivity for disulfide linkages","Polymer Chemistry","2024","15","21","2167","2176","10.1039/D4PY00160E","","x-ray","1.54184","CuKα","","0.0443","0.0413","","","0.1064","0.1084","","","","","","1.088","","","","has coordinates","293296","2024-07-05","18:11:15",""
"1571550","12.49888","0.00012","12.16712","0.00012","19.36765","0.00017","90","","91.5744","0.0008","90","","2944.23","0.05","99.99","0.13","99.99","0.13","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H44 N2 O4 S3 -","- C26 H44 N2 O4 S3 -","- C104 H176 N8 O16 S12 -","4","1","","Debsharma, Tapas; Purwanto, Nathan S.; Fenimore, Logan M.; Mitchell, Sarah; Kennedy, Jayme; Torkelson, John M.","BiTEMPS methacrylate dynamic covalent cross-linker providing rapid reprocessability and extrudability of covalent adaptable networks: high-yield synthesis with strong selectivity for disulfide linkages","Polymer Chemistry","2024","15","21","2167","2176","10.1039/D4PY00160E","","x-ray","1.54184","CuKα","","0.0316","0.0299","","","0.0806","0.0818","","","","","","1.078","","","","has coordinates","293296","2024-07-05","18:11:15",""
"1571551","21.266","0.002","19.1361","0.0016","25.447","0.002","90","","90.517","0.003","90","","10355.2","1.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H80 Cl6 Mn3 N18 O46 -","- C90 H78 Cl6 Mn3 N18 O46 -","- C360 H312 Cl24 Mn12 N72 O184 -","4","1","","Castro, Jesús; Ferraro, Valentina; Bortoluzzi, Marco","Further Insight into the Manganese(II) 2,2′-Bipyridine-1,1′-dioxide Homoleptic Complex: Single-Crystal X-ray Structure Determination of the Perchlorate Salt and DFT Calculations","Crystals","2024","14","5","422","","10.3390/cryst14050422","","","0.71073","MoKα","","0.0607","0.0531","","","0.136","0.1421","","","","","","1.069","","","","has coordinates","291703","2024-05-05","09:49:27",""
"1571552","21.302","0.003","19.101","0.003","25.487","0.004","90","","90.354","0.005","90","","10370","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H80 Cl6 Mn3 N18 O46 -","- C90 H72 Cl6 Mn3 N18 O46 -","- C360 H288 Cl24 Mn12 N72 O184 -","4","1","","Castro, Jesús; Ferraro, Valentina; Bortoluzzi, Marco","Further Insight into the Manganese(II) 2,2′-Bipyridine-1,1′-dioxide Homoleptic Complex: Single-Crystal X-ray Structure Determination of the Perchlorate Salt and DFT Calculations","Crystals","2024","14","5","422","","10.3390/cryst14050422","","","0.71073","MoKα","","0.1157","0.1002","","","0.2632","0.271","","","","","","1.096","","","","has coordinates","291703","2024-05-05","09:49:30",""
"1571553","14.5956","0.0009","14.5956","0.0009","7.6929","0.0004","90","","90","","120","","1419.27","0.14","300","2","300","2","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- Al78 Fe18 -","- Al78 Fe18 -","- Al78 Fe18 -","1","0.0277778","","Liu, Yibo; Fan, Changzeng; Xu, Zhefeng; Fu, Ruidong; Wen, Bin; Zhang, Lifeng","Orientation Relationship of the Intergrowth Al13Fe3 and Al13Fe4 Intermetallics Determined by Single-Crystal X-ray Diffraction","Metals","2024","14","4","463","","10.3390/met14040463","","","0.71073","MoKα","","0.0369","0.0327","","","0.0703","0.071","","","","","","1.326","","","","has coordinates","291704","2024-05-05","18:29:34",""
"1571554","15.498","0.004","8.0814","0.0017","12.488","0.003","90","","107.79","0.008","90","","1489.3","0.6","300","2","300","2","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Al3.25 Fe -","- Al3.25 Fe -","- Al78 Fe24 -","24","3","","Liu, Yibo; Fan, Changzeng; Xu, Zhefeng; Fu, Ruidong; Wen, Bin; Zhang, Lifeng","Orientation Relationship of the Intergrowth Al13Fe3 and Al13Fe4 Intermetallics Determined by Single-Crystal X-ray Diffraction","Metals","2024","14","4","463","","10.3390/met14040463","","","0.71073","MoKα","","0.1721","0.0803","","","0.1727","0.223","","","","","","1.064","","","","has coordinates","291705","2024-05-05","18:29:47",""
"1571555","14.8687","0.0006","7.2434","0.0002","12.5592","0.0004","90","","107.559","0.0008","90","","1289.6","0.08","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Cl N3 O2 -","- C13 H14 Cl N3 O2 -","- C52 H56 Cl4 N12 O8 -","4","1","","Bruni, Giovanna; Capsoni, Doretta; Pellegrini, Anna; Altomare, Angela; Coduri, Mauro; Ferrara, Chiara; Galinetto, Pietro; Molteni, Renato","New Findings on the Crystal Polymorphism of Imepitoin.","Molecules (Basel, Switzerland)","2024","29","8","1724","","10.3390/molecules29081724","powder diffraction","","0.354176","","","","","","","","","","0.06576","1.29822","","","","","","","has coordinates","291706","2024-05-05","20:41:03",""
"1571556","12.0281","0.0008","12.3628","0.0009","12.5821","0.0009","110.49","0.003","99.692","0.003","108.754","0.003","1574.1","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H32 Co N4 O12 S -","- C29 H32 Co N4 O12 S -","- C58 H64 Co2 N8 O24 S2 -","2","1","","Lee, Chia-Yi; Ye, Yu-Hui; Wang, Song-Wei; Chen, Jhy-Der","Diverse Co(II) Coordination Polymers with the Same Mixed Ligands: Evaluation of Chemical Stability and Structural Transformation.","Molecules (Basel, Switzerland)","2024","29","8","1748","","10.3390/molecules29081748","","","0.71073","MoKα","","0.044","0.0413","","","0.107","0.1089","","","","","","1.048","","","","has coordinates,has disorder","291707","2024-05-05","20:41:47",""
"1571557","10.537","0.003","12.378","0.002","12.849","0.002","61.476","0.008","72.697","0.01","85.374","0.014","1402","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 Co N4 O10 S -","- C28 H26 Co N4 O10 S -","- C56 H52 Co2 N8 O20 S2 -","2","1","","Lee, Chia-Yi; Ye, Yu-Hui; Wang, Song-Wei; Chen, Jhy-Der","Diverse Co(II) Coordination Polymers with the Same Mixed Ligands: Evaluation of Chemical Stability and Structural Transformation.","Molecules (Basel, Switzerland)","2024","29","8","1748","","10.3390/molecules29081748","","","0.71073","MoKα","","0.0323","0.0296","","","0.0825","0.0841","","","","","","1.063","","","","has coordinates","291707","2024-05-05","20:41:49",""
"1571558","11.6913","0.0008","12.5564","0.0008","13.2862","0.0008","105.716","0.0018","105.604","0.0018","91.3885","0.0019","1798.4","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H33 Co N6 O11 S -","- C35 H31 Co N6 O11 S -","- C70 H62 Co2 N12 O22 S2 -","2","1","","Lee, Chia-Yi; Ye, Yu-Hui; Wang, Song-Wei; Chen, Jhy-Der","Diverse Co(II) Coordination Polymers with the Same Mixed Ligands: Evaluation of Chemical Stability and Structural Transformation.","Molecules (Basel, Switzerland)","2024","29","8","1748","","10.3390/molecules29081748","","","0.71073","MoKα","","0.1193","0.0535","","","0.0871","0.1061","","","","","","1.004","","","","has coordinates,has disorder","291707","2024-05-05","20:41:50",""
"1571559","13.9967","0.0009","14.4949","0.0008","14.9094","0.0008","104.089","0.0014","93.162","0.0015","114.136","0.0014","2636.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H49 Co2 N6 O21 S2 -","- C49 H46 Co2 N6 O21 S2 -","- C98 H92 Co4 N12 O42 S4 -","2","1","","Lee, Chia-Yi; Ye, Yu-Hui; Wang, Song-Wei; Chen, Jhy-Der","Diverse Co(II) Coordination Polymers with the Same Mixed Ligands: Evaluation of Chemical Stability and Structural Transformation.","Molecules (Basel, Switzerland)","2024","29","8","1748","","10.3390/molecules29081748","","","0.71073","MoKα","","0.0811","0.0495","","","0.1133","0.1364","","","","","","1.019","","","","has coordinates,has disorder","291707","2024-05-05","20:41:50",""
"1571560","11.978","0.003","7.588","0.0014","28.042","0.005","90","","101.705","0.018","90","","2495.7","0.9","301","","301","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N3 O6 V -","- C26 H28 N3 O6 V -","- C104 H112 N12 O24 V4 -","4","1","","Hasegawa, Kyoko; Muto, Masahiro; Hamada, Masanobu; Yamada, Yasunori; Tokii, Tadashi; Koikawa, Masayuki","Syntheses, Structures, and Electrochemical Properties of Metallacyclic Oxidovanadium(V) Complexes with Asymmetric Multidentate Linking Ligands.","Molecules (Basel, Switzerland)","2024","29","8","1700","","10.3390/molecules29081700","","","0.71069","MoKα","","0.2748","0.079","","","0.216","0.3181","","","","","","0.947","","","","has coordinates","291708","2024-05-05","20:42:12",""
"1571561","12.465","0.005","16.244","0.006","18.285","0.008","102.99","0.03","98.16","0.03","108.59","0.03","3327","3","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H33 N6 O15 V3 -","- C60 H33 N6 O15 V3 -","- C120 H66 N12 O30 V6 -","2","1","","Hasegawa, Kyoko; Muto, Masahiro; Hamada, Masanobu; Yamada, Yasunori; Tokii, Tadashi; Koikawa, Masayuki","Syntheses, Structures, and Electrochemical Properties of Metallacyclic Oxidovanadium(V) Complexes with Asymmetric Multidentate Linking Ligands.","Molecules (Basel, Switzerland)","2024","29","8","1700","","10.3390/molecules29081700","","x-ray","0.71075","MoKα","","0.0852","0.0568","","","0.1509","0.1766","","","","","","0.949","","","","has coordinates","291709","2024-05-05","20:42:28",""
"1571562","15.307","0.005","15.582","0.005","18.458","0.005","87.11","0.02","69.06","0.02","79.74","0.03","4046","2","292","","292","","","","","","","","","5","P -1","-P 1","2","","","","- C70 H48 N8 O19 V3 -","- C70 H51 N8 O17 V3 -","- C140 H102 N16 O34 V6 -","2","1","","Hasegawa, Kyoko; Muto, Masahiro; Hamada, Masanobu; Yamada, Yasunori; Tokii, Tadashi; Koikawa, Masayuki","Syntheses, Structures, and Electrochemical Properties of Metallacyclic Oxidovanadium(V) Complexes with Asymmetric Multidentate Linking Ligands.","Molecules (Basel, Switzerland)","2024","29","8","1700","","10.3390/molecules29081700","","","0.71069","MoKα","","0.2692","0.0858","","","0.2336","0.3156","","","","","","0.927","","","","has coordinates","291710","2024-05-05","20:42:45",""
"1571563","7.4865","","17.8463","","25.6545","","90","","90","","90","","3427.6","","103","","103","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- Na8.154744 O124.8117 Si60 -","- Na8.156 O124.812 Si60 -","- Na8.156 O124.812 Si60 -","1","0.125","","Örs, Taylan; Deroche, Irena; Chatelard, Corentin; Dodin, Mathias; Martinez-Franco, Raquel; Tuel, Alain; Paillaud, Jean-Louis","Determination of Na+ Cation Locations in Nanozeolite ECR-1 Using a 3D ED Method","Symmetry","2024","16","4","477","","10.3390/sym16040477","","electron","0.02508","electron","","0.5174","0.0966","","","0.1798","0.2245","","","","2.7302","2.7302","0.7976","","","","has coordinates","291713","2024-05-06","01:26:35",""
"1571564","16.8","0.003","18.2","0.004","18.9","0.004","110","0.03","101","0.03","106","0.03","4953","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H56 Cl10 N2 O4 S2 -","- C86 H56 Cl10 N2 O4 S2 -","- C172 H112 Cl20 N4 O8 S4 -","2","1","","Jha, Shivangee; Mehra, Kundan Singh; Dey, Mandira; S, Sujesh; Ghosh, Debashree; Mondal, Pradip Kumar; Polentarutti, Maurizio; Sankar, Jeyaraman","A nine-ring fused terrylene diimide exhibits switching between red TADF and near-IR room temperature phosphorescence.","Chemical science","2024","15","23","8974","8981","10.1039/d4sc01040j","","","0.7","Synchrotron","","0.2818","0.1993","","","0.5119","0.5644","","","","","","1.514","","","","has coordinates,has disorder","292923","2024-07-05","15:07:40",""
"1571565","9.0844","0.0003","10.3859","0.0004","18.7463","0.0006","75.426","0.002","89.765","0.002","88.695","0.002","1711.35","0.1","302","","302","","","","","","","","","5","P 1","P 1","1","","","","- C41 H35 F N2 O5 -","- C41 H35 F N2 O5 -","- C82 H70 F2 N4 O10 -","2","2","","Wang, Yue; Huang, Yue; Bao, Xiaoze; Wei, Xingfu; Wei, Shiqiang; Qu, Jingping; Wang, Baomin","Organocatalytic diastereo- and atropo-selective construction of eight-membered bridged (hetero)biaryls <i>via</i> asymmetric intramolecular [3 + 2] cycloaddition.","Chemical science","2024","15","23","8880","8887","10.1039/d4sc01892c","","","1.54178","CuKα","","0.08","0.0635","","","0.151","0.1708","","","","","","1.094","","","","has coordinates,has disorder","292918","2024-07-05","15:06:35",""
"1571566","10.2162","0.0003","16.7001","0.0004","19.1032","0.0005","90","","105.024","0.001","90","","3147.82","0.15","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H28 Cl3 N3 O3 -","- C36 H28 Cl3 N3 O3 -","- C144 H112 Cl12 N12 O12 -","4","2","","Wang, Yue; Huang, Yue; Bao, Xiaoze; Wei, Xingfu; Wei, Shiqiang; Qu, Jingping; Wang, Baomin","Organocatalytic diastereo- and atropo-selective construction of eight-membered bridged (hetero)biaryls <i>via</i> asymmetric intramolecular [3 + 2] cycloaddition.","Chemical science","2024","15","23","8880","8887","10.1039/d4sc01892c","","","0.71073","MoKα","","0.0399","0.0359","","","0.085","0.0876","","","","","","1.001","","","","has coordinates","292918","2024-07-05","15:06:35",""
"1571567","12.1911","0.0001","12.2435","0.0001","32.968","0.0002","93.146","0.001","92.499","0.001","98.637","0.001","4851.02","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H60 Fe O6 -","- C57 H60 Fe O6 -","- C228 H240 Fe4 O24 -","4","2","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","","0.6889","Synchrotron","","0.0712","0.0596","","","0.1673","0.1754","","","","","","1.105","","","","has coordinates","292898","2024-07-05","15:00:32",""
"1571568","10.9292","0.0002","15.7523","0.0003","12.3261","0.0003","90","","95.5","0.002","90","","2112.29","0.08","120","2","120","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","FEYLLS","","- C52 H50 Fe O4 -","- C52 H50 Fe O4 -","- C104 H100 Fe2 O8 -","2","0.5","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","x-ray","1.54184","CuKα","K-L~2,3~","0.0648","0.0609","","","0.1664","0.1733","","","","","","1.067","","","","has coordinates,has disorder","292898","2024-07-05","15:00:33",""
"1571569","12.1688","0.0003","16.2148","0.0005","21.5184","0.0005","90","","91.955","0.002","90","","4243.42","0.19","120","0.1","120","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H50 Fe O4 -","- C52 H50 Fe O4 -","- C208 H200 Fe4 O16 -","4","1","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","x-ray","1.54184","CuKα","","0.091","0.0789","","","0.2116","0.2232","","","","","","1.124","","","","has coordinates","292898","2024-07-05","15:00:33",""
"1571570","11.4153","0.0005","20.3383","0.0009","18.6089","0.0008","90","","90.572","0.004","90","","4320.2","0.3","99.95","","99.95","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H50 Fe O4 -","- C54 H50 Fe O4 -","- C216 H200 Fe4 O16 -","4","1","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","x-ray","0.6889","Synchrotron","","0.0916","0.0589","","","0.1403","0.1602","","","","","","1.015","","","","has coordinates","292898","2024-07-05","15:00:33",""
"1571571","17.8946","0.0001","20.0899","0.0001","23.5547","0.0001","90","","90","","90","","8467.93","0.07","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C55 H53 O2 -","- C55 H53 O2 -","- C440 H424 O16 -","8","1","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","x-ray","1.54184","CuKα","","0.0495","0.0475","","","0.1217","0.1232","","","","","","1.041","","","","has coordinates","292898","2024-07-05","15:00:33",""
"1571572","12.3798","0.0004","12.6107","0.0004","14.6241","0.0005","86.062","0.003","76.881","0.003","79.062","0.003","2182.32","0.13","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H50 Fe O5 -","- C53 H50 Fe O5 -","- C106 H100 Fe2 O10 -","2","1","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","x-ray","1.54184","CuKα","","0.0379","0.0345","","","0.087","0.0892","","","","","","1.068","","","","has coordinates","292898","2024-07-05","15:00:33",""
"1571573","11.0369","0.0005","13.8006","0.0005","18.0187","0.0008","73.812","0.003","89.056","0.004","72.173","0.004","2502","0.2","119.99","0.11","119.99","0.11","","","","","","","","4","P -1","-P 1","2","","","","- C60 H71 Fe O3 -","- C51 H50 Fe O3 -","- C102 H100 Fe2 O6 -","2","1","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","x-ray","1.54184","CuKα","","0.0601","0.0506","","","0.1323","0.1393","","","","","","1.062","","","","has coordinates","292898","2024-07-05","15:00:33",""
"1571574","10.4522","0.0004","11.8004","0.0004","16.7576","0.0007","86.655","0.003","89.55","0.003","76.007","0.003","2002.09","0.13","119.99","0.1","119.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C52 H50 Fe O2 -","- C52 H50 Fe O2 -","- C104 H100 Fe2 O4 -","2","1","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","x-ray","1.54184","CuKα","","0.1204","0.0941","","","0.2529","0.2726","","","","","","1.02","","","","has coordinates","292898","2024-07-05","15:00:33",""
"1571575","12.6674","0.0003","13.2102","0.0003","14.2164","0.0003","67.027","0.002","83.24","0.002","84.686","0.002","2172.22","0.09","120","2","120.15","","","","","","","","","4","P -1","-P 1","2","","","","- C106 H112 Fe2 O8 -","- C106 H112 Fe2 O8 -","- C106 H112 Fe2 O8 -","1","0.5","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","x-ray","1.54184","CuKα","","0.0327","0.0317","","","0.0891","0.0899","","","","","","1.088","","","","has coordinates","292898","2024-07-05","15:00:33",""
"1571576","19.6224","0.0001","20.014","0.0001","22.4185","0.0001","90","","114.596","0.001","90","","8005.4","0.09","100","","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C52 H50 O2 -","- C52 H50 O2 -","- C416 H400 O16 -","8","2","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","","0.6889","Synchrotron","","0.079","0.0626","","","0.1864","0.1948","","","","","","1.094","","","","has coordinates","292898","2024-07-05","15:00:33",""
"1571577","17.8916","0.0006","16.8787","0.0006","13.6585","0.0005","90","","90","","90","","4124.7","0.3","120","2","120","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C52 H50 O2 -","- C52 H50 O2 -","- C208 H200 O8 -","4","1","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","x-ray","1.54184","CuKα","","0.0556","0.0487","","","0.1285","0.1348","","","","","","1.034","","","","has coordinates","292898","2024-07-05","15:00:33",""
"1571578","13.2353","0.0003","13.8441","0.0005","36.1863","0.0007","79.731","0.002","83.226","0.002","72.453","0.003","6206.1","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C156.5 H160.5 Fe3 O10 -","- C152 H150 Fe3 O10 -","- C304 H300 Fe6 O20 -","2","1","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","x-ray","1.54184","CuKα","","0.1464","0.1085","","","0.2951","0.3229","","","","","","1.038","","","","has coordinates,has disorder","292898","2024-07-05","15:00:33",""
"1571579","12.9566","0.0002","13.7268","0.0003","17.6044","0.0004","81.108","0.002","70.509","0.002","70.199","0.002","2774","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C124 H156 Fe2 O12.25 -","- C124 H156 Fe2 O12.246 -","- C124 H156 Fe2 O12.246 -","1","0.5","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","x-ray","1.54184","CuKα","","0.0539","0.0481","","","0.1318","0.1356","","","","","","1.072","","","","has coordinates,has disorder","292898","2024-07-05","15:00:33",""
"1571580","12.1282","0.0003","14.9679","0.0003","20.5823","0.0005","102.728","0.002","99.634","0.002","107.973","0.002","3353.35","0.15","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C83 H90 Fe O4 -","- C77 H76 Fe O4 -","- C154 H152 Fe2 O8 -","2","1","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","x-ray","1.54184","CuKα","","0.0408","0.0395","","","0.1082","0.1095","","","","","","1.038","","","","has coordinates,has disorder","292898","2024-07-05","15:00:33",""
"1571581","12.4176","0.0002","13.298","0.0002","14.4695","0.0002","65.894","0.002","83.35","0.002","84.359","0.002","2162.86","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C106 H114 Fe2 O8 -","- C100 H100 Fe2 O8 -","- C100 H100 Fe2 O8 -","1","0.5","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","x-ray","1.54184","CuKα","","0.052","0.0449","","","0.1281","0.1335","","","","","","1.086","","","","has coordinates","292898","2024-07-05","15:00:33",""
"1571582","6.243","0.002","8.03","0.003","19.073","0.007","90","","94.875","0.01","90","","952.7","0.6","193","","193","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 O3 S -","- C20 H24 O3 S -","- C40 H48 O6 S2 -","2","1","","Zhao, Lingzi; Liu, Feipeng; Zhuang, Yan; Shen, Mengyang; Xue, Jing; Wang, Xuchao; Zhang, Yuting; Rong, Zi-Qiang","CoH-catalyzed asymmetric remote hydroalkylation of heterocyclic alkenes: a rapid approach to chiral five-membered S- and O-heterocycles.","Chemical science","2024","15","23","8888","8895","10.1039/d4sc01149j","","x-ray","0.71073","MoKα","","0.104","0.0922","","","0.242","0.2547","","","","","","1.121","","","","has coordinates","292922","2024-07-05","15:07:32",""
"1571583","16.291","0.002","6.2878","0.0006","15.4937","0.0018","90","","116.475","0.015","90","","1420.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Br F3 O -","- C16 H10 Br F3 O -","- C64 H40 Br4 F12 O4 -","4","1","","Zhang, Linghong; You, Mengdi; Ban, Xu; Zhao, Xiaowei; Yin, Yanli; Cao, Shanshan; Jiang, Zhiyong","Visible light-driven dearomative ring expansion of (aza)arenes to access dihydrofuran-based polycyclic compounds.","Chemical science","2024","15","23","8828","8834","10.1039/d4sc00748d","","x-ray","1.54184","CuKα","","0.0775","0.056","","","0.1486","0.1743","","","","","","0.968","","","","has coordinates,has disorder","292927","2024-07-05","15:08:24",""
"1571584","9.1987","0.0006","11.0072","0.0006","12.2093","0.0006","90.074","0.004","92.871","0.004","96.049","0.005","1227.76","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H31 F3 O -","- C28 H31 F3 O -","- C56 H62 F6 O2 -","2","1","","Zhang, Linghong; You, Mengdi; Ban, Xu; Zhao, Xiaowei; Yin, Yanli; Cao, Shanshan; Jiang, Zhiyong","Visible light-driven dearomative ring expansion of (aza)arenes to access dihydrofuran-based polycyclic compounds.","Chemical science","2024","15","23","8828","8834","10.1039/d4sc00748d","","x-ray","1.54184","CuKα","","0.0858","0.0731","","","0.2102","0.228","","","","","","1.036","","","","has coordinates","292927","2024-07-05","15:08:24",""
"1571585","6.9554","0.0004","13.0085","0.0007","17.4007","0.0013","75.775","0.006","80.036","0.006","89.708","0.005","1501.96","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 F3 O -","- C18 H15 F3 O -","- C72 H60 F12 O4 -","4","2","","Zhang, Linghong; You, Mengdi; Ban, Xu; Zhao, Xiaowei; Yin, Yanli; Cao, Shanshan; Jiang, Zhiyong","Visible light-driven dearomative ring expansion of (aza)arenes to access dihydrofuran-based polycyclic compounds.","Chemical science","2024","15","23","8828","8834","10.1039/d4sc00748d","","x-ray","1.54184","CuKα","","0.0797","0.0513","","","0.119","0.1277","","","","","","1.003","","","","has coordinates","292927","2024-07-05","15:08:24",""
"1571586","19.1458","0.0002","22.7805","0.0004","23.8161","0.0002","91.223","0.001","94.258","0.001","114.009","0.001","9447.4","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C174 H94 Ag6 Au9 Cl2 F60 P5 -","- C174 H94 Ag6 Au9 Cl2 F60 P5 -","- C348 H188 Ag12 Au18 Cl4 F120 P10 -","2","1","","Deng, Guocheng; Ki, Taeyoung; Yoo, Seungwoo; Liu, Xiaolin; Lee, Kangjae; Bootharaju, Megalamane S.; Hyeon, Taeghwan","[Au<sub>9</sub>Ag<sub>6</sub>(CCR)<sub>10</sub>(DPPM)<sub>2</sub>Cl<sub>2</sub>](PPh<sub>4</sub>): a four-electron cluster with a bi-decahedral twisted metal core.","Nanoscale","2024","16","23","11090","11095","10.1039/d4nr01471e","","x-ray","1.54184","CuKα","","0.0924","0.0771","","","0.1986","0.2098","","","","","","1.019","","","","has coordinates","293181","2024-07-05","17:31:03",""
"1571587","11.6235","0.0003","12.0608","0.0005","16.9201","0.0007","77.785","0.004","87.986","0.003","77.824","0.003","2266.04","0.15","293","","293","","","","","","","","","7","P -1","-P 1","2","","CIH-Zn","","- C34 H24 F N6 O11 P Zn2 -","- C34 H24 F N6 O11 P Zn2 -","- C68 H48 F2 N12 O22 P2 Zn4 -","2","1","","Singh, Avanish Kumar; Singh, Amit Kumar; Sharma, Shashi Kant; Sonkar, Vijay Kumar; Singh, Vinod P.","A highly selective coumarin-based chemosensor for dual sensing of Cu<sup>2+</sup> and Zn<sup>2+</sup> ions with logic gate integration and live cell imaging.","Analytical methods : advancing methods and applications","2024","16","27","4551","4560","10.1039/d4ay00594e","","x-ray","1.54184","CuKα","","0.0821","0.0665","","","0.1947","0.2047","","","","","","1.054","","","","has coordinates","293668","2024-08-05","17:03:34",""
"1571589","23.0809","0.0005","25.7505","0.0006","28.4251","0.0007","91.029","0.001","94.284","0.001","92.462","0.001","16827.8","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C320 H290 Ag19 Au47 -","- C320 H290 Ag19 Au47 -","- C640 H580 Ag38 Au94 -","2","1","","Tang, Shisi; Wang, Endong; Wu, Yanzhen; Song, Tongxin; Zhou, Meng; Cai, Xiao; Gao, Yi; Ding, Weiping; Zhu, Yan","Diachronic evolvement from tetra-icosahedral to quasi-hexagonal close-packed bimetal clusters.","Chemical science","2024","15","22","8372","8379","10.1039/d4sc00942h","","x-ray","0.71073","MoKα","","0.1234","0.0669","","","0.1927","0.2251","","","","","","1.071","","","","has coordinates,has disorder","292864","2024-07-05","14:07:09",""
"1571590","21.3484","0.0014","29.2299","0.0019","40.094","0.003","79.787","0.001","75.632","0.001","89.066","0.001","23842","3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C470 H423 Ag24 Au60 -","- C470 H423 Ag24 Au60 -","- C940 H846 Ag48 Au120 -","2","1","","Tang, Shisi; Wang, Endong; Wu, Yanzhen; Song, Tongxin; Zhou, Meng; Cai, Xiao; Gao, Yi; Ding, Weiping; Zhu, Yan","Diachronic evolvement from tetra-icosahedral to quasi-hexagonal close-packed bimetal clusters.","Chemical science","2024","15","22","8372","8379","10.1039/d4sc00942h","","","0.71073","MoKα","","0.1451","0.0809","","","0.201","0.265","","","","","","1.19","","","","has coordinates","292864","2024-07-05","14:07:10",""
"1571591","4.7537","","5.7244","","4.9738","","90","","90.0801","","90","","135.347","","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","light wolframite","","","- Fe O4 W -","- Fe0.5 O4 W0.5 -","- Fe O8 W -","2","0.5","","Patil, Amitkumar R.; Dongale, Tukaram D.; Pedanekar, Rupesh S.; Sutar,Santosh S.; Kamat, Rajanish K.; Rajpure, Keshav Y.","Multilevel resistive switching in hydrothermally synthesized FeWO4 thin film-based memristive device for non-volatile memory application","Journal of Colloid and Interface Science","2024","669","","444","","10.1016/j.jcis.2024.04.222","","","","","","","","","","","","","","","","","","","","","has coordinates","291791","2024-05-09","05:04:28",""
"1571592","10.584","0.003","13.174","0.004","17.291","0.005","84.579","0.011","73.169","0.01","77.6","0.01","2252.5","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H48 Cl2 N2 O8 Pt -","- C49 H48 Cl2 N2 O8 Pt -","- C98 H96 Cl4 N4 O16 Pt2 -","2","1","","Zhang, Huilan; Chan, Michael Ho-Yeung; Lam, Jonathan; Chen, Ziyong; Leung, Ming-Yi; Wong, Eric Ka-Ho; Wu, Lixin; Yam, Vivian Wing-Wah","Supramolecular assembly of amphiphilic platinum(ii) Schiff base complexes: diverse spectroscopic changes and nanostructures through rational molecular design and solvent control.","Chemical science","2024","15","22","8545","8556","10.1039/d3sc06094b","","","0.71073","MoKα","","0.0391","0.0277","","","0.0604","0.0672","","","","","","1.048","","","","has coordinates,has disorder","292870","2024-07-05","14:09:11",""
"1571593","17.6473","0.0009","7.5383","0.0004","18.6063","0.0009","89.999","0.002","94.196","0.002","90.014","0.002","2468.6","0.2","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H49 N49 O49 -","- C136 H108 N4 O8 -","- C136 H108 N4 O8 -","1","0.5","","Khatun, Mst Nasima; Nandy, Satyendu; Roy, Hirakjyoti; Ghosh, Siddhartha Sankar; Kumar, Sachin; Iyer, Parameswar Krishnan","Sulphur-atom positional engineering in perylenimide: structure-property relationships and H-aggregation directed type-I photodynamic therapy.","Chemical science","2024","15","24","9298","9317","10.1039/d4sc01180e","","","0.71073","MoKα","","0.1893","0.0774","","","0.1928","0.2532","","","","","","1.02","","","","has coordinates","292860","2024-07-05","13:57:40",""
"1571594","7.3852","0.0005","11.7473","0.0008","16.5975","0.0011","83.044","0.002","84.88","0.002","77.501","0.002","1392.51","0.16","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 N O2 S2 -","- C36 H26 N O2 S2 -","- C72 H52 N2 O4 S4 -","2","1","","Khatun, Mst Nasima; Nandy, Satyendu; Roy, Hirakjyoti; Ghosh, Siddhartha Sankar; Kumar, Sachin; Iyer, Parameswar Krishnan","Sulphur-atom positional engineering in perylenimide: structure-property relationships and H-aggregation directed type-I photodynamic therapy.","Chemical science","2024","15","24","9298","9317","10.1039/d4sc01180e","","","0.71073","MoKα","","0.3126","0.1849","","","0.4237","0.5209","","","","","","1.509","","","","has coordinates","292860","2024-07-05","13:57:44",""
"1571595","8.766","0.006","11.916","0.008","15.464","0.011","101.43","0.02","92.94","0.02","111.2","0.02","1462.7","1.8","273","2","273","2","","","","","","","","5","P 1","P 1","1","","","","- C39 H29 N O2 S2 -","- C40 N O2 S2 -","- C80 N2 O4 S4 -","2","2","","Khatun, Mst Nasima; Nandy, Satyendu; Roy, Hirakjyoti; Ghosh, Siddhartha Sankar; Kumar, Sachin; Iyer, Parameswar Krishnan","Sulphur-atom positional engineering in perylenimide: structure-property relationships and H-aggregation directed type-I photodynamic therapy.","Chemical science","2024","15","24","9298","9317","10.1039/d4sc01180e","","","0.71073","MoKα","","0.3389","0.1608","","","0.3439","0.4551","","","","","","1.798","","","","has coordinates","292860","2024-07-05","13:57:52",""
"1571596","20.7","0.3","20.7","0.3","8.8","0.2","90","","90","","90","","3771","12","298","1","298","1","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C41 H30 N4 O -","- C41 H28 N4 -","- C164 H112 N16 -","4","0.25","VQ5005","Bourda, Laurens; Bhandary, Subhrajyoti; Ito, Sho; Göb, Christian R; Van Der Voort, Pascal; Van Hecke, Kristof","Analysis of COF-300 synthesis: probing degradation processes and 3D electron diffraction structure.","IUCrJ","2024","11","4","","","10.1107/S2052252524003713","","electron","0.0251","transmissionelectronmicroscope","","0.1808","0.1372","","","0.3425","0.3793","","","","","","1.316","","","","has coordinates","291819","2024-05-11","01:57:53",""
"1571597","7.1511","0.00013","10.90793","0.00019","17.7744","0.0003","90","","102.494","0.0019","90","","1353.63","0.04","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","YC5047","Zwolenik, A.; Tchoń, D; Makal, A.","Evolution of structure and spectroscopic properties of a new 1,3-diacetylpyrene polymorph with temperature and pressure.","IUCrJ","2024","11","4","","","10.1107/S2052252524003634","","x-ray","0.71073","MoKα","","0.0449","0.0254","","","0.0391","0.0421","","","","","","1.0435","","","","has coordinates","291821","2024-05-11","01:59:10",""
"1571598","7.235","0.0003","11.2573","0.0004","17.7365","0.0005","90","","103.701","0.003","90","","1403.47","0.09","293","1","293","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Zwolenik, A.; Tchoń, D; Makal, A.","Evolution of structure and spectroscopic properties of a new 1,3-diacetylpyrene polymorph with temperature and pressure.","IUCrJ","2024","11","4","","","10.1107/S2052252524003634","","","1.54184","CuKα","","0.0691","0.0538","","","0.1169","0.125","","","","","","1.0709","","","","has coordinates","291821","2024-05-11","01:59:11",""
"1571599","7.235","0.0003","11.2573","0.0004","17.7365","0.0005","90","","103.701","0.003","90","","1403.47","0.09","287","11","293","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Zwolenik, A.; Tchoń, D; Makal, A.","Evolution of structure and spectroscopic properties of a new 1,3-diacetylpyrene polymorph with temperature and pressure.","IUCrJ","2024","11","4","","","10.1107/S2052252524003634","","","1.54184","CuKα","","0.0572","0.042","","","0.0947","0.1037","","","","","","0.8879","","","","has coordinates","291821","2024-05-11","01:59:11",""
"1571600","6.9685","0.0002","10.7405","0.0004","17.5252","0.0006","90","","101.697","0.003","90","","1284.44","0.08","298","","298.15","","","","","","","Pressurized to 0.85 GPa.","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Zwolenik, A.; Tchoń, D; Makal, A.","Evolution of structure and spectroscopic properties of a new 1,3-diacetylpyrene polymorph with temperature and pressure.","IUCrJ","2024","11","4","","","10.1107/S2052252524003634","","","0.41618","synchrotron","","0.0622","0.0364","","","0.074","0.0851","","","","","","1.0995","","","","has coordinates","291821","2024-05-11","01:59:11",""
"1571601","6.9685","0.0002","10.7405","0.0004","17.5252","0.0006","90","","101.697","0.003","90","","1284.44","0.08","298","","298.15","","","","","","","Pressurized to 0.85 GPa.","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Zwolenik, A.; Tchoń, D; Makal, A.","Evolution of structure and spectroscopic properties of a new 1,3-diacetylpyrene polymorph with temperature and pressure.","IUCrJ","2024","11","4","","","10.1107/S2052252524003634","","","0.41618","synchrotron","","0.0604","0.0345","","","0.0695","0.0809","","","","","","1.0541","","","","has coordinates","291821","2024-05-11","01:59:11",""
"1571602","6.90862","0.00018","10.655","0.0005","17.4709","0.0007","90","","101.448","0.003","90","","1260.47","0.09","298","","298.15","","","","","","","Pressurized to 1.1 GPa.","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Zwolenik, A.; Tchoń, D; Makal, A.","Evolution of structure and spectroscopic properties of a new 1,3-diacetylpyrene polymorph with temperature and pressure.","IUCrJ","2024","11","4","","","10.1107/S2052252524003634","","","0.41618","synchrotron","","0.0816","0.0506","","","0.1249","0.1508","","","","","","1.0863","","","","has coordinates","291821","2024-05-11","01:59:11",""
"1571603","6.8196","0.001","10.5519","0.0014","17.3617","0.0017","90","","100.735","0.012","90","","1227.5","0.3","298","","571.15","","","","","","","Pressurized to 1.7 GPa.","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Zwolenik, A.; Tchoń, D; Makal, A.","Evolution of structure and spectroscopic properties of a new 1,3-diacetylpyrene polymorph with temperature and pressure.","IUCrJ","2024","11","4","","","10.1107/S2052252524003634","","","0.41618","synchrotron","","0.1533","0.099","","","0.2757","0.3359","","","","","","1.1178","","","","has coordinates","291821","2024-05-11","01:59:11",""
"1571604","18.5603","0.0002","10.2545","0.0001","7.7955","0.0001","90","","94.45","0.001","90","","1479.22","0.03","113.15","","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl F3 N2 O2 -","- C15 H10 Cl F3 N2 O2 -","- C60 H40 Cl4 F12 N8 O8 -","4","1","","Wu, Wenbo; Chen, Kui; Yu, Hui; Zhu, Jiaxuan; Feng, Yaoguang; Wang, Jingkang; Huang, Xin; Li, Liang; Hao, Hongxun; Wang, Ting; Wang, Na; Naumov, Panče","Trimodal operation of a robust smart organic crystal.","Chemical science","2024","15","24","9287","9297","10.1039/d4sc02152e","","x-ray","1.54184","CuKα","","0.0427","0.0385","","","0.1052","0.1093","","","","","","1.084","","","","has coordinates,has disorder","292861","2024-07-05","13:58:04",""
"1571605","18.6718","0.0016","10.1775","0.001","8.0982","0.0008","90","","92.583","0.003","90","","1537.4","0.3","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl F3 N2 O2 -","- C15 H10 Cl F3 N2 O2 -","- C60 H40 Cl4 F12 N8 O8 -","4","1","","Wu, Wenbo; Chen, Kui; Yu, Hui; Zhu, Jiaxuan; Feng, Yaoguang; Wang, Jingkang; Huang, Xin; Li, Liang; Hao, Hongxun; Wang, Ting; Wang, Na; Naumov, Panče","Trimodal operation of a robust smart organic crystal.","Chemical science","2024","15","24","9287","9297","10.1039/d4sc02152e","","x-ray","0.71073","MoKα","","0.0871","0.055","","","0.1189","0.1364","","","","","","1.027","","","","has coordinates,has disorder","292861","2024-07-05","13:58:13",""
"1571606","19.0164","0.0019","9.4918","0.0012","8.9166","0.0011","90","","85.985","0.01","90","","1605.5","0.3","374.4","","374.4","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl F3 N2 O2 -","- C8.57143 H5.71429 Cl0.571429 F1.71429 N1.14286 O1.14286 -","- C60 H40 Cl4 F12 N8 O8 -","7","1.75","","Wu, Wenbo; Chen, Kui; Yu, Hui; Zhu, Jiaxuan; Feng, Yaoguang; Wang, Jingkang; Huang, Xin; Li, Liang; Hao, Hongxun; Wang, Ting; Wang, Na; Naumov, Panče","Trimodal operation of a robust smart organic crystal.","Chemical science","2024","15","24","9287","9297","10.1039/d4sc02152e","","x-ray","1.54184","CuKα","","0.0956","0.0801","","","0.2936","0.3238","","","","","","1.21","","","","has coordinates","292861","2024-07-05","13:58:14",""
"1571607","18.847","0.006","10.089","0.003","8.313","0.002","90","","90.989","0.01","90","","1580.5","0.8","365","","365","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl F3 N2 O2 -","- C15 H10 Cl F3 N2 O2 -","- C60 H40 Cl4 F12 N8 O8 -","4","1","","Wu, Wenbo; Chen, Kui; Yu, Hui; Zhu, Jiaxuan; Feng, Yaoguang; Wang, Jingkang; Huang, Xin; Li, Liang; Hao, Hongxun; Wang, Ting; Wang, Na; Naumov, Panče","Trimodal operation of a robust smart organic crystal.","Chemical science","2024","15","24","9287","9297","10.1039/d4sc02152e","","x-ray","0.71073","MoKα","","0.1582","0.0677","","","0.1518","0.1986","","","","","","1.021","","","","has coordinates,has disorder","292861","2024-07-05","13:58:22",""
"1571608","18.8875","0.0003","8.26765","0.00014","19.4727","0.0003","90","","96.5615","0.0014","90","","3020.85","0.08","113.15","","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl F3 N2 O2 -","- C15 H10 Cl F3 N2 O2 -","- C120 H80 Cl8 F24 N16 O16 -","8","2","","Wu, Wenbo; Chen, Kui; Yu, Hui; Zhu, Jiaxuan; Feng, Yaoguang; Wang, Jingkang; Huang, Xin; Li, Liang; Hao, Hongxun; Wang, Ting; Wang, Na; Naumov, Panče","Trimodal operation of a robust smart organic crystal.","Chemical science","2024","15","24","9287","9297","10.1039/d4sc02152e","","x-ray","1.54184","CuKα","","0.0648","0.0622","","","0.1755","0.1767","","","","","","1.1","","","","has coordinates","292861","2024-07-05","13:58:22",""
"1571609","19.031","0.016","9.539","0.008","8.813","0.007","90","","86.26","0.03","90","","1596","2","380","","380","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl F3 N2 O2 -","- C15 H10 Cl F3 N2 O2 -","- C60 H40 Cl4 F12 N8 O8 -","4","1","","Wu, Wenbo; Chen, Kui; Yu, Hui; Zhu, Jiaxuan; Feng, Yaoguang; Wang, Jingkang; Huang, Xin; Li, Liang; Hao, Hongxun; Wang, Ting; Wang, Na; Naumov, Panče","Trimodal operation of a robust smart organic crystal.","Chemical science","2024","15","24","9287","9297","10.1039/d4sc02152e","","","0.71073","MoKα","","0.3019","0.1317","","","0.3205","0.4244","","","","","","1.055","","","","has coordinates,has disorder","292861","2024-07-05","13:58:22",""
"1571610","12.7862","0.0007","13.2072","0.0006","15.4523","0.0006","64.913","0.004","70.485","0.004","61.214","0.005","2043.3","0.2","179.99","0.1","179.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C90 H140 N4 O2 Sm2 -","- C90 H140 N4 O2 Sm2 -","- C90 H140 N4 O2 Sm2 -","1","0.5","","Wang, Yi; Zhang, Yurou; Liang, Jiefeng; Tan, Bowen; Deng, Chong; Huang, Wenliang","Neutral inverse-sandwich rare-earth metal complexes of the benzene tetraanion.","Chemical science","2024","15","23","8740","8749","10.1039/d4sc02491e","","","0.71073","MoKα","","0.0381","0.0304","","","0.0745","0.0775","","","","","","1.082","","","","has coordinates,has disorder","292920","2024-07-05","15:07:17",""
"1571611","10.8737","0.0004","11.7593","0.0005","18.5401","0.0008","98.6","0.004","93.568","0.003","92.844","0.003","2335.3","0.17","180","0.1","180","","","","","","","","","4","P -1","-P 1","2","","","","- C53 H67 N2 Sm -","- C53 H67 N2 Sm -","- C106 H134 N4 Sm2 -","2","1","","Wang, Yi; Zhang, Yurou; Liang, Jiefeng; Tan, Bowen; Deng, Chong; Huang, Wenliang","Neutral inverse-sandwich rare-earth metal complexes of the benzene tetraanion.","Chemical science","2024","15","23","8740","8749","10.1039/d4sc02491e","","","0.71073","MoKα","","0.0486","0.0412","","","0.1036","0.1071","","","","","","1.125","","","","has coordinates,has disorder","292920","2024-07-05","15:07:17",""
"1571612","12.5793","0.0004","21.9106","0.0006","15.8022","0.0004","90","","99.436","0.003","90","","4296.5","0.2","179.99","0.1","180","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H65 I2 N2 O Y -","- C41 H65 I2 N2 O Y -","- C164 H260 I8 N8 O4 Y4 -","4","1","","Wang, Yi; Zhang, Yurou; Liang, Jiefeng; Tan, Bowen; Deng, Chong; Huang, Wenliang","Neutral inverse-sandwich rare-earth metal complexes of the benzene tetraanion.","Chemical science","2024","15","23","8740","8749","10.1039/d4sc02491e","","","0.71073","MoKα","","0.1008","0.0662","","","0.1789","0.197","","","","","","1.077","","","","has coordinates,has disorder","292920","2024-07-05","15:07:17",""
"1571613","12.5729","0.0003","21.8852","0.0004","15.9583","0.0003","90","","99.806","0.002","90","","4326.94","0.16","180","0.1","180","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H65 I2 N2 O Sm -","- C41 H65 I2 N2 O Sm -","- C164 H260 I8 N8 O4 Sm4 -","4","1","","Wang, Yi; Zhang, Yurou; Liang, Jiefeng; Tan, Bowen; Deng, Chong; Huang, Wenliang","Neutral inverse-sandwich rare-earth metal complexes of the benzene tetraanion.","Chemical science","2024","15","23","8740","8749","10.1039/d4sc02491e","","","0.71073","MoKα","","0.048","0.0387","","","0.099","0.1038","","","","","","1.061","","","","has coordinates","292920","2024-07-05","15:07:17",""
"1571614","12.8287","0.0002","13.2492","0.0002","15.2084","0.0002","110.299","0.001","94.391","0.001","118.829","0.002","2028.27","0.08","179.99","0.1","179.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C88 H136 N4 O2 Sm2 -","- C88 H136 N4 O2 Sm2 -","- C88 H136 N4 O2 Sm2 -","1","0.5","","Wang, Yi; Zhang, Yurou; Liang, Jiefeng; Tan, Bowen; Deng, Chong; Huang, Wenliang","Neutral inverse-sandwich rare-earth metal complexes of the benzene tetraanion.","Chemical science","2024","15","23","8740","8749","10.1039/d4sc02491e","","","0.71073","MoKα","","0.0246","0.0219","","","0.0549","0.0558","","","","","","1.055","","","","has coordinates,has disorder","292920","2024-07-05","15:07:17",""
"1571615","14.4271","0.0004","17.8919","0.0004","16.0725","0.0004","90","","102.8","0.003","90","","4045.67","0.18","179.98","0.1","180","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H65 N2 Sm -","- C45 H65 N2 Sm -","- C180 H260 N8 Sm4 -","4","1","","Wang, Yi; Zhang, Yurou; Liang, Jiefeng; Tan, Bowen; Deng, Chong; Huang, Wenliang","Neutral inverse-sandwich rare-earth metal complexes of the benzene tetraanion.","Chemical science","2024","15","23","8740","8749","10.1039/d4sc02491e","","","0.71073","MoKα","","0.0437","0.0321","","","0.0792","0.0838","","","","","","1.055","","","","has coordinates","292920","2024-07-05","15:07:17",""
"1571616","22.0209","0.0006","13.3172","0.0003","25.7853","0.0006","90","","96.038","0.003","90","","7519.8","0.3","179.99","0.1","179.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C82 H124 N4 Y2 -","- C82 H124 N4 Y2 -","- C328 H496 N16 Y8 -","4","1","","Wang, Yi; Zhang, Yurou; Liang, Jiefeng; Tan, Bowen; Deng, Chong; Huang, Wenliang","Neutral inverse-sandwich rare-earth metal complexes of the benzene tetraanion.","Chemical science","2024","15","23","8740","8749","10.1039/d4sc02491e","","","0.71073","MoKα","","0.0895","0.0565","","","0.1473","0.1649","","","","","","1.047","","","","has coordinates","292920","2024-07-05","15:07:17",""
"1571617","28.8724","0.0005","21.9655","0.0002","25.9782","0.0004","90","","116.683","0.002","90","","14720.7","0.4","179.99","0.1","179.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H120 N4 Y2 -","- C80 H120 N4 Y2 -","- C640 H960 N32 Y16 -","8","2","","Wang, Yi; Zhang, Yurou; Liang, Jiefeng; Tan, Bowen; Deng, Chong; Huang, Wenliang","Neutral inverse-sandwich rare-earth metal complexes of the benzene tetraanion.","Chemical science","2024","15","23","8740","8749","10.1039/d4sc02491e","","","0.71073","MoKα","","0.1634","0.0833","","","0.1572","0.187","","","","","","1.033","","","","has coordinates","292920","2024-07-05","15:07:17",""
"1571618","11.5404","0.0005","16.0849","0.0006","20.2795","0.0008","90","","91.686","0.001","90","","3762.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H51 B10 N2 Si Ta -","- C34 H51 B10 N2 Si Ta -","- C136 H204 B40 N8 Si4 Ta4 -","4","1","","Yang, Jingting; Xu, Xin; Lin, Zhenyang; Xie, Zuowei","Metallaaromaticity involving a d<sup>0</sup> early transition metal centre: synthesis, structure, and aromaticity of tantallapyridinazirine complexes.","Chemical science","2024","15","21","7943","7948","10.1039/d4sc02629b","","","0.71073","MoKα","","0.0451","0.0289","","","0.0614","0.0682","","","","","","1.03","","","","has coordinates","292932","2024-07-05","15:09:25",""
"1571619","11.5786","0.0008","12.9866","0.001","26.895","0.002","90","","97.57","0.002","90","","4008.9","0.5","284","2","284","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H51 B10 N2 Ta -","- C35 H51 B10 N2 Ta -","- C140 H204 B40 N8 Ta4 -","4","1","","Yang, Jingting; Xu, Xin; Lin, Zhenyang; Xie, Zuowei","Metallaaromaticity involving a d<sup>0</sup> early transition metal centre: synthesis, structure, and aromaticity of tantallapyridinazirine complexes.","Chemical science","2024","15","21","7943","7948","10.1039/d4sc02629b","","","0.71073","MoKα","","0.0273","0.0232","","","0.0525","0.0542","","","","","","1.046","","","","has coordinates,has disorder","292932","2024-07-05","15:09:25",""
"1571620","9.3519","0.0004","17.5941","0.0008","28.9963","0.0013","90","","98.843","0.001","90","","4714.3","0.4","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41.5 H53 B10 N2 Ta -","- C41.5 H53 B10 N2 Ta -","- C166 H212 B40 N8 Ta4 -","4","1","","Yang, Jingting; Xu, Xin; Lin, Zhenyang; Xie, Zuowei","Metallaaromaticity involving a d<sup>0</sup> early transition metal centre: synthesis, structure, and aromaticity of tantallapyridinazirine complexes.","Chemical science","2024","15","21","7943","7948","10.1039/d4sc02629b","","","0.71073","MoKα","","0.0372","0.0331","","","0.0813","0.0834","","","","","","1.194","","","","has coordinates","292932","2024-07-05","15:09:25",""
"1571621","15.3128","0.0006","28.0479","0.001","28.7796","0.0011","90","","90","","90","","12360.6","0.8","260","","260","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H36 Au4 Fe2 N16 O2 -","- C64 H36 Au4 Fe2 N16 O2 -","- C512 H288 Au32 Fe16 N128 O16 -","8","1","","Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.","Chemical science","2024","15","24","9240","9248","10.1039/d4sc00331d","","","0.71073","MoKα","","0.0702","0.0468","","","0.0886","0.0959","","","","","","1.114","","","","has coordinates,has disorder","292863","2024-07-05","14:06:07",""
"1571622","15.3837","0.001","27.856","0.002","28.739","0.0019","90","","90","","90","","12315.5","1.4","259.99","0.1","259.99","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H36 Au4 N16 O2 Zn2 -","- C64 H36 Au4 N16 O2 Zn2 -","- C512 H288 Au32 N128 O16 Zn16 -","8","1","","Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.","Chemical science","2024","15","24","9240","9248","10.1039/d4sc00331d","","x-ray","0.71073","MoKα","","0.1751","0.0692","","","0.1174","0.1651","","","","","","1.044","","","","has coordinates,has disorder","292863","2024-07-05","14:06:17",""
"1571623","27.6016","0.0006","28.7074","0.0008","15.346","0.0005","90","","90","","90","","12159.7","0.6","202.99","0.1","202.99","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H36 Au4 Fe2 N16 O2 -","- C64 H36 Au4 Fe2 N16 O2 -","- C512 H288 Au32 Fe16 N128 O16 -","8","1","","Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.","Chemical science","2024","15","24","9240","9248","10.1039/d4sc00331d","","x-ray","0.71073","MoKα","","0.1351","0.0899","","","0.1755","0.1985","","","","","","1.163","","","","has coordinates,has disorder","292863","2024-07-05","14:06:18",""
"1571624","15.2903","0.001","27.605","0.002","28.6786","0.0016","90","","90","","90","","12104.9","1.4","197.99","0.1","197.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C128 H72 Au8 Fe4 N32 O4 -","- C128 H72 Au8 Fe4 N32 O4 -","- C512 H288 Au32 Fe16 N128 O16 -","4","1","","Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.","Chemical science","2024","15","24","9240","9248","10.1039/d4sc00331d","","x-ray","0.71073","MoKα","","0.1095","0.0698","","","0.1392","0.1636","","","","","","1.064","","","","has coordinates","292863","2024-07-05","14:06:18",""
"1571625","15.0208","0.0009","27.2962","0.0017","28.37","0.0017","90","","90","","90","","11632","1.2","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C128 H72 Au8 Fe4 N32 O4 -","- C128 H72 Au8 Fe4 N32 O4 -","- C512 H288 Au32 Fe16 N128 O16 -","4","1","","Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.","Chemical science","2024","15","24","9240","9248","10.1039/d4sc00331d","","","0.71073","MoKα","","0.0672","0.0401","","","0.0673","0.0717","","","","","","1.065","","","","has coordinates","292863","2024-07-05","14:06:18",""
"1571626","15.40415","0.00012","27.6501","0.0002","28.6347","0.0002","90","","90","","90","","12196.3","0.16","100.01","0.1","100.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H36 Au4 N16 O2 Zn2 -","- C64 H36 Au4 N16 O2 Zn2 -","- C512 H288 Au32 N128 O16 Zn16 -","8","1","","Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.","Chemical science","2024","15","24","9240","9248","10.1039/d4sc00331d","","x-ray","1.54184","CuKα","","0.0606","0.0547","","","0.1547","0.1578","","","","","","1.136","","","","has coordinates,has disorder","292863","2024-07-05","14:06:18",""
"1571627","15.40179","0.00012","27.7406","0.0002","28.6941","0.0002","90","","90","","90","","12259.7","0.16","198","0.1","198","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H36 Au4 N16 O2 Zn2 -","- C64 H36 Au4 N16 O2 Zn2 -","- C512 H288 Au32 N128 O16 Zn16 -","8","1","","Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.","Chemical science","2024","15","24","9240","9248","10.1039/d4sc00331d","","x-ray","1.54184","CuKα","","0.0373","0.0328","","","0.08","0.0819","","","","","","1.064","","","","has coordinates,has disorder","292863","2024-07-05","14:06:18",""
"1571628","15.0987","0.0008","27.5674","0.0015","28.487","0.0015","90","","90","","90","","11857.2","1.1","145","","145","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C128 H72 Au8 Fe4 N32 O4 -","- C128 H72 Au8 Fe4 N32 O4 -","- C512 H288 Au32 Fe16 N128 O16 -","4","1","","Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.","Chemical science","2024","15","24","9240","9248","10.1039/d4sc00331d","","x-ray","0.71073","MoKα","","0.0439","0.0328","","","0.0624","0.0649","","","","","","1.045","","","","has coordinates","292863","2024-07-05","14:06:18",""
"1571629","15.40483","0.00013","27.6851","0.0002","28.6645","0.0002","90","","90","","90","","12225","0.16","145","0.1","145","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H36 Au4 N16 O2 Zn2 -","- C64 H36 Au4 N16 O2 Zn2 -","- C512 H288 Au32 N128 O16 Zn16 -","8","1","","Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.","Chemical science","2024","15","24","9240","9248","10.1039/d4sc00331d","","x-ray","1.54184","CuKα","","0.0513","0.0458","","","0.1359","0.1388","","","","","","1.116","","","","has coordinates,has disorder","292863","2024-07-05","14:06:18",""
"1571630","15.4294","0.00011","27.7081","0.0002","28.7128","0.0002","90","","90","","90","","12275.3","0.15","203","0.1","203","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H36 Au4 N16 O2 Zn2 -","- C64 H36 Au4 N16 O2 Zn2 -","- C512 H288 Au32 N128 O16 Zn16 -","8","1","","Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.","Chemical science","2024","15","24","9240","9248","10.1039/d4sc00331d","","x-ray","1.54184","CuKα","","0.0739","0.07","","","0.1371","0.1386","","","","","","1.299","","","","has coordinates,has disorder","292863","2024-07-05","14:06:18",""
"1571631","10.3144","0.0003","12.2204","0.0004","13.0932","0.0004","90","","92.946","0.001","90","","1648.17","0.09","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N O3 S -","- C17 H21 N O3 S -","- C68 H84 N4 O12 S4 -","4","1","","Ning, Chao; Yu, Ziqi; Shi, Min; Wei, Yin","Palladium-catalyzed selective C-C bond cleavage of keto-vinylidenecyclopropanes: construction of structurally rich dihydrofurans and tetrahydrofurans.","Chemical science","2024","15","24","9192","9200","10.1039/d4sc02536a","","","0.71073","MoKα","","0.0579","0.0479","","","0.1211","0.1291","","","","","","1.059","","","","has coordinates,has disorder","292859","2024-07-05","13:57:28",""
"1571632","19.7752","0.0008","9.1254","0.0003","11.5285","0.0004","90","","96.477","0.001","90","","2067.12","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cl N O3 S2 -","- C20 H22 Cl N O3 S2 -","- C80 H88 Cl4 N4 O12 S8 -","4","1","","Ning, Chao; Yu, Ziqi; Shi, Min; Wei, Yin","Palladium-catalyzed selective C-C bond cleavage of keto-vinylidenecyclopropanes: construction of structurally rich dihydrofurans and tetrahydrofurans.","Chemical science","2024","15","24","9192","9200","10.1039/d4sc02536a","","","0.71073","MoKα","","0.0522","0.0429","","","0.1105","0.1191","","","","","","1.066","","","","has coordinates,has disorder","292859","2024-07-05","13:57:29",""
"1571633","8.6934","0.0001","21.4946","0.0004","12.5425","0.0002","90","","94.276","0.001","90","","2337.18","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H24 B N -","- C33 H24 B N -","- C132 H96 B4 N4 -","4","1","","Qin, Xiaoli; Huang, Lin; Zhan, Ziying; Fu, Peng; Wang, Qing; Zhang, Congyang; Huang, Jianhui; Ding, Zhifeng","Enhancing corannulene chemiluminescence, electrochemiluminescence and photoluminescence by means of an azabora-helicene to slow down its bowl inversion.","Chemical science","2024","15","25","9657","9668","10.1039/d4sc01524j","","x-ray","1.54184","CuKα","","0.068","0.0542","","","0.1578","0.1709","","","","","","1.033","","","","has coordinates","292900","2024-07-05","15:00:58",""
"1571634","7.4071","0.0001","15.896","0.0001","21.0437","0.0002","90","","90","","90","","2477.75","0.04","120","0.1","120","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 F N O3 S -","- C30 H24 F N O3 S -","- C120 H96 F4 N4 O12 S4 -","4","1","","Ewing, Paul M. D. A.; Majhi, Pankaj Kumar; Prentice, Callum; Young, Claire M.; van Rees, Karlotta; Arnold, Polly L.; Zysman-Colman, Eli; Smith, Andrew D.","α-Phenylthioaldehydes for the effective generation of acyl azolium and azolium enolate intermediates.","Chemical science","2024","15","24","9369","9375","10.1039/d3sc06879j","","x-ray","1.54184","CuKα","","0.0458","0.0446","","","0.1167","0.1183","","","","","","1.048","","","","has coordinates","292852","2024-07-05","13:55:04",""
"1571635","10.7079","0.0001","19.7519","0.0002","21.8828","0.0002","75.619","0.001","85.37","0.001","82.816","0.001","4442.08","0.08","169.98","0.1","169.98","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C94 H78 Cl12 N4 O2 S4 -","- C94 H78 Cl12 N4 O2 S4 -","- C188 H156 Cl24 N8 O4 S8 -","2","1","","Wang, Jianxiao; Li, Yonghai; Han, Chenyu; Chen, Liangliang; Bi, Fuzhen; Hu, Zunyuan; Yang, Chunming; Bao, Xichang; Chu, Junhao","All-polymer solar cells with 19% efficiency via introducing pincer-shaped non-covalent bond interactions","Energy & Environmental Science","2024","17","12","4216","4227","10.1039/D4EE01117A","","x-ray","1.54184","CuKα","","0.0522","0.0461","","","0.1235","0.1286","","","","","","1.062","","","","has coordinates,has disorder","293160","2024-07-05","17:22:22",""
"1571636","9.5504","0.0004","9.6216","0.0004","14.9202","0.0005","76.429","0.003","78.195","0.003","70.242","0.004","1242.47","0.09","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H28 O6 -","- C30 H28 O6 -","- C60 H56 O12 -","2","1","","Samadder, Prodipta; Naim, Khalid; Sahoo, Subash Chandra; Neelakandan, Prakash P.","Surface coating induced room-temperature phosphorescence in flexible organic single crystals.","Chemical science","2024","15","24","9258","9265","10.1039/d4sc01708k","","x-ray","0.71073","MoKα","","0.0785","0.0487","","","0.1127","0.1303","","","","","","1.037","","","","has coordinates","292850","2024-07-05","13:54:25",""
"1571637","20.709","0.003","14.9107","0.0019","22.817","0.003","90","","107.434","0.003","90","","6721.9","1.6","193","2","193","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C42.75 H34 -","- C42.75 H34 -","- C342 H272 -","8","2","","Gisbert, Yohan; Simón Marqués, Pablo; Baccini, Caterina; Abid, Seifallah; Saffon-Merceron, Nathalie; Rapenne, Gwénaël; Kammerer, Claire","Copper-catalysed perarylation of cyclopentadiene: synthesis of hexaarylcyclopentadienes.","Chemical science","2024","15","24","9127","9137","10.1039/d4sc02458c","","","0.71073","MoKα","","0.1533","0.0666","","","0.1665","0.2174","","","","","","1.045","","","","has coordinates,has disorder","292854","2024-07-05","13:55:36",""
"1571638","20.644","0.0013","13.3024","0.0008","21.865","0.002","90","","111.818","0.002","90","","5574.3","0.7","193","2","193","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C65 H78 -","- C65 H78 -","- C260 H312 -","4","0.5","","Gisbert, Yohan; Simón Marqués, Pablo; Baccini, Caterina; Abid, Seifallah; Saffon-Merceron, Nathalie; Rapenne, Gwénaël; Kammerer, Claire","Copper-catalysed perarylation of cyclopentadiene: synthesis of hexaarylcyclopentadienes.","Chemical science","2024","15","24","9127","9137","10.1039/d4sc02458c","","","0.71073","MoKα","","0.0783","0.0565","","","0.1462","0.1645","","","","","","1.019","","","","has coordinates,has disorder","292854","2024-07-05","13:55:37",""
"1571639","10.6181","0.0005","10.9815","0.0006","16.4791","0.0009","100.65","0.002","106.059","0.0019","91.5785","0.0019","1808.41","0.17","193","2","193","2","","","","","","","","2","P -1","-P 1","2","","","","- C47 H38 -","- C47 H38 -","- C94 H76 -","2","1","","Gisbert, Yohan; Simón Marqués, Pablo; Baccini, Caterina; Abid, Seifallah; Saffon-Merceron, Nathalie; Rapenne, Gwénaël; Kammerer, Claire","Copper-catalysed perarylation of cyclopentadiene: synthesis of hexaarylcyclopentadienes.","Chemical science","2024","15","24","9127","9137","10.1039/d4sc02458c","","","0.71073","MoKα","","0.1002","0.0575","","","0.153","0.1796","","","","","","1.016","","","","has coordinates","292854","2024-07-05","13:55:37",""
"1571640","11.2444","0.0006","11.592","0.0006","15.4587","0.0008","88.4787","0.0018","85.8921","0.0018","62.0337","0.0016","1775.04","0.16","193","2","193","2","","","","","","","","2","P -1","-P 1","2","","","","- C47 H42 -","- C47 H42 -","- C94 H84 -","2","1","","Gisbert, Yohan; Simón Marqués, Pablo; Baccini, Caterina; Abid, Seifallah; Saffon-Merceron, Nathalie; Rapenne, Gwénaël; Kammerer, Claire","Copper-catalysed perarylation of cyclopentadiene: synthesis of hexaarylcyclopentadienes.","Chemical science","2024","15","24","9127","9137","10.1039/d4sc02458c","","","0.71073","MoKα","","0.0836","0.0571","","","0.1437","0.1624","","","","","","1.038","","","","has coordinates,has disorder","292854","2024-07-05","13:55:37",""
"1571641","12.2669","0.0007","12.7915","0.0006","18.0256","0.0009","106.574","0.002","99.595","0.002","90.608","0.002","2667.9","0.2","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C65.25 H74.5 Cl0.5 -","- C65.25 H74.5 Cl0.5 -","- C130.5 H149 Cl -","2","1","","Gisbert, Yohan; Simón Marqués, Pablo; Baccini, Caterina; Abid, Seifallah; Saffon-Merceron, Nathalie; Rapenne, Gwénaël; Kammerer, Claire","Copper-catalysed perarylation of cyclopentadiene: synthesis of hexaarylcyclopentadienes.","Chemical science","2024","15","24","9127","9137","10.1039/d4sc02458c","","","0.71073","MoKα","","0.0767","0.0593","","","0.1594","0.1743","","","","","","1.043","","","","has coordinates,has disorder","292854","2024-07-05","13:55:37",""
"1571642","9.6243","0.0003","11.6276","0.0005","13.5153","0.0006","90.8439","0.0016","106.956","0.0014","109.296","0.0014","1355.07","0.1","193","2","193","2","","","","","","","","2","P -1","-P 1","2","","","","- C41 H28 -","- C41 H28 -","- C82 H56 -","2","1","","Gisbert, Yohan; Simón Marqués, Pablo; Baccini, Caterina; Abid, Seifallah; Saffon-Merceron, Nathalie; Rapenne, Gwénaël; Kammerer, Claire","Copper-catalysed perarylation of cyclopentadiene: synthesis of hexaarylcyclopentadienes.","Chemical science","2024","15","24","9127","9137","10.1039/d4sc02458c","","","0.71073","MoKα","","0.0558","0.0478","","","0.1234","0.13","","","","","","1.053","","","","has coordinates","292854","2024-07-05","13:55:37",""
"1571643","13.3948","0.0006","14.7194","0.0006","20.6475","0.0009","100.057","0.002","93.842","0.002","115.215","0.002","3580.5","0.3","193","2","193","2","","","","","","","","2","P -1","-P 1","2","","","","- C47 H42 -","- C47 H42 -","- C188 H168 -","4","2","","Gisbert, Yohan; Simón Marqués, Pablo; Baccini, Caterina; Abid, Seifallah; Saffon-Merceron, Nathalie; Rapenne, Gwénaël; Kammerer, Claire","Copper-catalysed perarylation of cyclopentadiene: synthesis of hexaarylcyclopentadienes.","Chemical science","2024","15","24","9127","9137","10.1039/d4sc02458c","","","1.54178","CuKα","","0.0819","0.0586","","","0.147","0.1636","","","","","","1.026","","","","has coordinates","292854","2024-07-05","13:55:37",""
"1571644","10.9046","0.0006","14.0514","0.0006","24.7528","0.0015","90","","94.09","0.002","90","","3783.1","0.3","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C47 H42 O6 -","- C47 H42 O6 -","- C188 H168 O24 -","4","1","","Gisbert, Yohan; Simón Marqués, Pablo; Baccini, Caterina; Abid, Seifallah; Saffon-Merceron, Nathalie; Rapenne, Gwénaël; Kammerer, Claire","Copper-catalysed perarylation of cyclopentadiene: synthesis of hexaarylcyclopentadienes.","Chemical science","2024","15","24","9127","9137","10.1039/d4sc02458c","","","0.71073","MoKα","","0.0748","0.0572","","","0.1364","0.1488","","","","","","1.033","","","","has coordinates","292854","2024-07-05","13:55:37",""
"1571645","10.256","0.002","20.262","0.004","29.739","0.006","94.02","0.03","93.18","0.03","103.46","0.03","5979","2","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C41 H29 F -","- C41 H29 F -","- C328 H232 F8 -","8","4","","Gisbert, Yohan; Simón Marqués, Pablo; Baccini, Caterina; Abid, Seifallah; Saffon-Merceron, Nathalie; Rapenne, Gwénaël; Kammerer, Claire","Copper-catalysed perarylation of cyclopentadiene: synthesis of hexaarylcyclopentadienes.","Chemical science","2024","15","24","9127","9137","10.1039/d4sc02458c","","","0.71073","MoKα","","0.1758","0.0817","","","0.1658","0.2102","","","","","","1.06","","","","has coordinates,has disorder","292854","2024-07-05","13:55:37",""
"1571646","13.0897","0.0001","13.0897","0.0001","60.7234","0.0012","90","","90","","120","","9010.4","0.2","273","2","273","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B180 Ba12 K84 O360 Sc24 -","- B180 Ba12 K84 O360 Sc24 -","- B180 Ba12 K84 O360 Sc24 -","1","0.0555556","","Li, Shuaifeng; Li, Weiming; Li, Xiang; Yang, Guangsai; Ye, Ning; Hu, Zhanggui; Wu, Yicheng; Li, Conggang","A bifunctional primitive strategy induces enhancements of large second harmonic generation and wide UV transmittance in rare-earth borates containing [B<sub>5</sub>O<sub>10</sub>] groups.","Chemical science","2024","15","23","8959","8965","10.1039/d4sc01853b","","","0.71073","MoKα","","0.0311","0.0251","","","0.0571","0.06","","","","","","1.053","","","","has coordinates","292925","2024-07-05","15:07:58",""
"1571647","13.367","0.003","13.367","0.003","14.906","0.003","90","0.03","90","0.03","120","0.03","2306.5","1.1","273","2","273","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- B45 Ba0 O90 Rb21 Sc5.2 Sr3.8 -","- B45 O90 Rb21 Sc5.199 Sr3.801 -","- B45 O90 Rb21 Sc5.199 Sr3.801 -","1","0.0555556","","Li, Shuaifeng; Li, Weiming; Li, Xiang; Yang, Guangsai; Ye, Ning; Hu, Zhanggui; Wu, Yicheng; Li, Conggang","A bifunctional primitive strategy induces enhancements of large second harmonic generation and wide UV transmittance in rare-earth borates containing [B<sub>5</sub>O<sub>10</sub>] groups.","Chemical science","2024","15","23","8959","8965","10.1039/d4sc01853b","","","0.71073","MoKα","","0.0189","0.0168","","","0.038","0.0387","","","","","","1.099","","","","has coordinates","292925","2024-07-05","15:07:59",""
"1571648","15.17387","0.00007","18.69703","0.00008","16.12642","0.00007","90","","98.0083","0.0004","90","","4530.55","0.03","294.7","0.7","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Ru(phen)2phi](PF6)2","bis(1,10-phenanthroline)-(phenanthrenediamine)-ruthenium hexafluorophosphate","","- C38 H26 F0.05 N6 P0.05 Ru -","- C8 H5.8 F2.4 N1.4 P0.4 Ru0.2 -","- C160 H116 F48 N28 P8 Ru4 -","20","5","","Prieto Otoya, Tayler D.; McQuaid, Kane T.; Paterson, Neil G.; Cardin, David J.; Kellett, Andrew; Cardin, Christine J.","Re-pairing DNA: binding of a ruthenium phi complex to a double mismatch.","Chemical science","2024","15","24","9096","9103","10.1039/d4sc01448k","","x-ray","1.54184","CuKα","","0.0522","0.0491","","","0.191","0.1989","","","","","","0.938","","","","has coordinates","292856","2024-07-05","13:56:26",""
"1571649","29.6682","0.0014","17.7115","0.0009","34.7181","0.0018","90","","114.038","0.002","90","","16661.1","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C108 H72 Au25 F18 S18 -","- C108 H72 Au25 F18 S18 -","- C432 H288 Au100 F72 S72 -","4","0.5","","Gratious, Saniya; Afreen, ?; Mahal, Eti; Thomas, Jibin; Saha, Shubhadeep; Nair, Akhil S.; Adarsh, K. V.; Pathak, Biswarup; Mandal, Sukhendu","""Visualizing"" the partially reversible conversion of gold nanoclusters <i>via</i> the Au<sub>23</sub>(S-<i>c</i>-C<sub>6</sub>H<sub>11</sub>)<sub>17</sub> intermediate.","Chemical science","2024","15","25","9823","9829","10.1039/d4sc01225a","","","0.71073","MoKα","","0.061","0.0598","","","0.1446","0.1451","","","","","","1.167","","","","has coordinates,has disorder","292897","2024-07-05","14:59:55",""
"1571650","18.9192","0.0002","25.1964","0.0004","43.0574","0.0005","90","","90","","90","","20525.3","0.5","93","2","93","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C70 H134 Cl4 Mo9 N9 O31 P -","- C70 H134 Cl4 Mo9 N9 O31 P -","- C560 H1072 Cl32 Mo72 N72 O248 P8 -","8","1","","Sun, Haoran; Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Yamaguchi, Kazuya; Suzuki, Kosuke","Self-assembled molecular hybrids comprising lacunary polyoxometalates and multidentate imidazole ligands.","Chemical science","2024","15","24","9281","9286","10.1039/d4sc02384f","","x-ray","0.71073","MoKα","","0.0865","0.054","","","0.1368","0.1583","","","","","","1.033","","","","has coordinates","292857","2024-07-05","13:56:58",""
"1571651","27.1448","0.0003","27.3825","0.0003","29.9056","0.0005","90","","100.611","0.0013","90","","21848.5","0.5","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C92 H154 Cl8 Mo18 N15 O62 P2 -","- C92 H154 Cl8 Mo18 N15 O62 P2 -","- C368 H616 Cl32 Mo72 N60 O248 P8 -","4","1","","Sun, Haoran; Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Yamaguchi, Kazuya; Suzuki, Kosuke","Self-assembled molecular hybrids comprising lacunary polyoxometalates and multidentate imidazole ligands.","Chemical science","2024","15","24","9281","9286","10.1039/d4sc02384f","","x-ray","0.4142","synchrotron","","0.0879","0.0645","","","0.1795","0.1922","","","","","","1.033","","","","has coordinates,has disorder","292857","2024-07-05","13:56:59",""
"1571652","39.2789","0.0003","39.2789","0.0003","32.7662","0.0005","90","","90","","90","","50552.7","0.9","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C60 H48 Mo36 N24 O124 P4 -","- C60 H48 Mo36 N24 O124 P4 -","- C240 H192 Mo144 N96 O496 P16 -","4","0.25","","Sun, Haoran; Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Yamaguchi, Kazuya; Suzuki, Kosuke","Self-assembled molecular hybrids comprising lacunary polyoxometalates and multidentate imidazole ligands.","Chemical science","2024","15","24","9281","9286","10.1039/d4sc02384f","","","0.4151","Synchrotron","","0.0935","0.0641","","","0.1987","0.2196","","","","","","1.073","","","","has coordinates,has disorder","292857","2024-07-05","13:56:59",""
"1571653","18.2063","0.0002","23.9584","0.0002","27.3167","0.0003","85.3618","0.0008","74.6634","0.0009","87.3652","0.0008","11449.7","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C120 H215 Cl4 Mo18 N32 O62 P2 -","- C120 H215 Cl4 Mo18 N32 O62 P2 -","- C240 H430 Cl8 Mo36 N64 O124 P4 -","2","1","","Sun, Haoran; Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Yamaguchi, Kazuya; Suzuki, Kosuke","Self-assembled molecular hybrids comprising lacunary polyoxometalates and multidentate imidazole ligands.","Chemical science","2024","15","24","9281","9286","10.1039/d4sc02384f","","","0.4142","Synchrotron","","0.0817","0.0644","","","0.1876","0.1999","","","","","","1.083","","","","has coordinates,has disorder","292857","2024-07-05","13:56:59",""
"1571654","18.8686","0.0002","5.4367","0.0001","22.9849","0.0002","90","","94.932","0.001","90","","2349.13","0.05","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H62 N2 O10 S2 -","- C48 H62 N2 O10 S2 -","- C96 H124 N4 O20 S4 -","2","1","","Yang, Hao-Ran; Cheng, Xiang; Chang, Xin; Wang, Zuo-Fei; Dong, Xiu-Qin; Wang, Chun-Jiang","Copper/ruthenium relay catalysis enables 1,6-double chiral inductions with stereodivergence","Chemical Science","2024","15","26","10135","10145","10.1039/D4SC01804D","","x-ray","1.54184","CuKα","","0.037","0.0362","","","0.0984","0.0991","","","","","","1.036","","","","has coordinates","292877","2024-07-05","14:13:21",""
"1571655","12.6662","0.0004","5.6008","0.0001","36.635","0.0011","90","","116.175","0.004","90","","2332.4","0.14","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H31 N O5 S -","- C24 H31 N O5 S -","- C96 H124 N4 O20 S4 -","4","2","","Yang, Hao-Ran; Cheng, Xiang; Chang, Xin; Wang, Zuo-Fei; Dong, Xiu-Qin; Wang, Chun-Jiang","Copper/ruthenium relay catalysis enables 1,6-double chiral inductions with stereodivergence","Chemical Science","2024","15","26","10135","10145","10.1039/D4SC01804D","","x-ray","1.54184","CuKα","","0.0791","0.0615","","","0.1559","0.171","","","","","","0.984","","","","has coordinates","292877","2024-07-05","14:13:23",""
"1571656","19.052","0.002","13.3058","0.0015","13.995","0.002","90","","99.388","0.008","90","","3500.2","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H41 B20 N2 Rh S2 -","- C22 H41 B20 N2 Rh S2 -","- C88 H164 B80 N8 Rh4 S8 -","4","1","","Liu, Xin-Ran; Cui, Peng-Fei; García-Rodeja, Yago; Solà, Miquel; Jin, Guo-Xin","Formation and reactivity of a unique M⋯C-H interaction stabilized by carborane cages.","Chemical science","2024","15","24","9274","9280","10.1039/d4sc01158a","","","1.34139","GaKα","","0.1225","0.0767","","","0.1908","0.2238","","","","","","1.099","","","","has coordinates","292848","2024-07-05","13:54:05",""
"1571657","11.6139","0.0005","13.1923","0.0006","13.5261","0.0006","98.948","0.002","101.424","0.002","91.727","0.002","2002.63","0.15","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C23 H42 B20 F3 Ir N2 O3 S3 -","- C23 H42 B20 F3 Ir N2 O3 S3 -","- C46 H84 B40 F6 Ir2 N4 O6 S6 -","2","1","","Liu, Xin-Ran; Cui, Peng-Fei; García-Rodeja, Yago; Solà, Miquel; Jin, Guo-Xin","Formation and reactivity of a unique M⋯C-H interaction stabilized by carborane cages.","Chemical science","2024","15","24","9274","9280","10.1039/d4sc01158a","","","1.34138","GaKα","","0.0431","0.0384","","","0.0958","0.1","","","","","","1.1","","","","has coordinates,has disorder","292848","2024-07-05","13:54:05",""
"1571658","12.1157","0.0011","13.1515","0.0012","15.8884","0.0014","102.935","0.004","95.742","0.005","111.659","0.004","2246.1","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H52 B20 N5 Rh S2 -","- C27 H52 B20 N5 Rh S2 -","- C54 H104 B40 N10 Rh2 S4 -","2","1","","Liu, Xin-Ran; Cui, Peng-Fei; García-Rodeja, Yago; Solà, Miquel; Jin, Guo-Xin","Formation and reactivity of a unique M⋯C-H interaction stabilized by carborane cages.","Chemical science","2024","15","24","9274","9280","10.1039/d4sc01158a","","","1.54178","CuKα","","0.0326","0.0291","","","0.0685","0.0704","","","","","","1.041","","","","has coordinates","292848","2024-07-05","13:54:05",""
"1571659","19.1073","0.0006","13.3046","0.0004","13.9712","0.0004","90","","99.297","0.001","90","","3505.03","0.18","174","2","174","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17.6 H32.8 B16 Ir0.8 N1.6 S1.6 -","- C17.6 H32.8 B16 Ir0.8 N1.6 S1.6 -","- C88 H164 B80 Ir4 N8 S8 -","5","1.25","","Liu, Xin-Ran; Cui, Peng-Fei; García-Rodeja, Yago; Solà, Miquel; Jin, Guo-Xin","Formation and reactivity of a unique M⋯C-H interaction stabilized by carborane cages.","Chemical science","2024","15","24","9274","9280","10.1039/d4sc01158a","","","1.34139","GaKα","","0.038","0.0357","","","0.1137","0.1171","","","","","","1.067","","","","has coordinates","292848","2024-07-05","13:54:05",""
"1571660","11.6103","0.0011","13.1824","0.0013","13.5411","0.0013","99.204","0.004","101.43","0.004","91.527","0.004","2001.6","0.3","173","2","173","","","","","","","","","8","P -1","-P 1","2","","","","- C23 H42 B20 F3 N2 O3 Rh S3 -","- C23 H42 B20 F3 N2 O3 Rh S3 -","- C46 H84 B40 F6 N4 O6 Rh2 S6 -","2","1","","Liu, Xin-Ran; Cui, Peng-Fei; García-Rodeja, Yago; Solà, Miquel; Jin, Guo-Xin","Formation and reactivity of a unique M⋯C-H interaction stabilized by carborane cages.","Chemical science","2024","15","24","9274","9280","10.1039/d4sc01158a","","","1.34139","GaKα","","0.0595","0.0438","","","0.0906","0.1036","","","","","","1.096","","","","has coordinates,has disorder","292848","2024-07-05","13:54:05",""
"1571661","31.1627","0.0009","12.4318","0.0003","14.5172","0.0004","90","","107.595","0.002","90","","5361","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H28 B20 N2 S2 -","- C12 H28 B20 N2 S2 -","- C96 H224 B160 N16 S16 -","8","1","","Liu, Xin-Ran; Cui, Peng-Fei; García-Rodeja, Yago; Solà, Miquel; Jin, Guo-Xin","Formation and reactivity of a unique M⋯C-H interaction stabilized by carborane cages.","Chemical science","2024","15","24","9274","9280","10.1039/d4sc01158a","","","1.54178","CuKα","","0.0797","0.0633","","","0.1794","0.1932","","","","","","1.028","","","","has coordinates","292848","2024-07-05","13:54:05",""
"1571662","10.9098","0.0009","25.502","0.002","31.388","0.003","90","","90","","90","","8732.8","1.3","193","2","193","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H43 B30 Cl4 N3 S3 -","- C16 H41 B30 Cl2 N3 S3 -","- C128 H328 B240 Cl16 N24 S24 -","8","1","","Liu, Xin-Ran; Cui, Peng-Fei; García-Rodeja, Yago; Solà, Miquel; Jin, Guo-Xin","Formation and reactivity of a unique M⋯C-H interaction stabilized by carborane cages.","Chemical science","2024","15","24","9274","9280","10.1039/d4sc01158a","","","1.34139","GaKα","","0.2144","0.144","","","0.377","0.4114","","","","","","1.053","","","","has coordinates,has disorder","292848","2024-07-05","13:54:05",""
"1571663","17.6388","0.0006","18.5304","0.0007","24.0367","0.0009","91.778","0.002","91.812","0.002","103.901","0.001","7616.5","0.5","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C90 H158 B60 Ir6 N6 S6 -","- C90 H158 B60 Ir6 N6 S6 -","- C180 H316 B120 Ir12 N12 S12 -","2","1","","Liu, Xin-Ran; Cui, Peng-Fei; García-Rodeja, Yago; Solà, Miquel; Jin, Guo-Xin","Formation and reactivity of a unique M⋯C-H interaction stabilized by carborane cages.","Chemical science","2024","15","24","9274","9280","10.1039/d4sc01158a","","","1.34139","GaKα","","0.0472","0.0395","","","0.0973","0.1016","","","","","","1.036","","","","has coordinates","292848","2024-07-05","13:54:05",""
"1571664","28.8469","0.0004","28.8469","0.0004","28.8469","0.0004","90","","90","","90","","24004.8","0.6","298","2","298","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C24 H18 Cu3 N10 O2 -","- C24 H18 Cu3 N10 O1.9999 -","- C384 H288 Cu48 N160 O31.9984 -","16","0.333333","","Wu, Ying; Liang, Gang; Li, Wen-Bin; Zhong, Xiao-Feng; Zhang, Yang-Yang; Ye, Jia-Wen; Yang, Tao; Mo, Zong-Wen; Chen, Xiao-Ming","Boosting the degradation of antibiotics <i>via</i> peroxymonosulfate activation with a Cu-based metal-organic framework.","Chemical science","2024","15","25","9733","9741","10.1039/d4sc02850c","","x-ray","1.54184","CuKα","","0.0396","0.0289","","","0.0601","0.0634","","","","","","0.884","","","","has coordinates","292894","2024-07-05","14:59:04",""
"1571665","6.3691","0.0001","12.0175","0.0002","9.083","0.0002","90","","108.989","0.002","90","","657.39","0.02","106","2","106","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C30 H44 O6 -","2","1","","Song, Yongxiang; Wang, Wengui; Yang, Jiafan; Gao, Dewei; Billingsley, John M.; Wang, Songtao; Zhu, Yiguang; Wang, Junfeng; Ju, Jianhua; Yan, Yan; Tang, Yi","β-Terrecyclene synthase constructs the quadrane backbone in terrecyclic acid biosynthesis.","Chemical science","2024","15","23","8750","8755","10.1039/d4sc01208a","","x-ray","1.54184","CuKα","","0.0283","0.0277","","","0.0734","0.0737","","","","","","1.069","","","","has coordinates","292926","2024-07-05","15:08:14",""
"1571666","6.4548","0.0001","17.2854","0.0003","12.2879","0.0002","90","","90","","90","","1371.01","0.04","106","5","106","5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Song, Yongxiang; Wang, Wengui; Yang, Jiafan; Gao, Dewei; Billingsley, John M.; Wang, Songtao; Zhu, Yiguang; Wang, Junfeng; Ju, Jianhua; Yan, Yan; Tang, Yi","β-Terrecyclene synthase constructs the quadrane backbone in terrecyclic acid biosynthesis.","Chemical science","2024","15","23","8750","8755","10.1039/d4sc01208a","","x-ray","1.54184","CuKα","","0.0924","0.091","","","0.2571","0.2585","","","","","","1.13","","","","has coordinates,has disorder","292926","2024-07-05","15:08:15",""
"1571667","6.549","0.004","5.673","0.003","5.3115","0.0003","90","","90","","90","","197.34","0.16","295","1","295","1","","","","","","","","3","P m n 21","P 2ac -2","31","","","Zn3MoN4","- Mo N4 Zn3 -","- Mo N4 Zn3 -","- Mo2 N8 Zn6 -","2","0.5","","Rom, Christopher L.; O'Donnell, Shaun; Huang, Kayla; Klein, Ryan A.; Kramer, Morgan J.; Smaha, Rebecca W.; Zakutayev, Andriy","Low-temperature synthesis of cation-ordered bulk Zn<sub>3</sub>WN<sub>4</sub> semiconductor <i>via</i> heterovalent solid-state metathesis.","Chemical science","2024","15","25","9709","9718","10.1039/d4sc00322e","","","0.1821","synchrotron","","","","","","","","","","1.796","","","","","","","has coordinates","292893","2024-07-05","14:58:53",""
"1571668","6.5602","0.0008","5.6813","0.0007","5.3235","0.0002","90","","90","","90","","198.41","0.04","295","1","295","1","","","","","","","","3","P m n 21","P 2ac -2","31","","","Zn3WN4","- N8 W1.66 Zn6.34 -","- N8 W1.66 Zn6.34 -","- N8 W1.66 Zn6.34 -","1","0.25","","Rom, Christopher L.; O'Donnell, Shaun; Huang, Kayla; Klein, Ryan A.; Kramer, Morgan J.; Smaha, Rebecca W.; Zakutayev, Andriy","Low-temperature synthesis of cation-ordered bulk Zn<sub>3</sub>WN<sub>4</sub> semiconductor <i>via</i> heterovalent solid-state metathesis.","Chemical science","2024","15","25","9709","9718","10.1039/d4sc00322e","","","0.1821","synchrotron","","","","","","","","","","1.885","","","","","","","has coordinates","292893","2024-07-05","14:58:54",""
"1571669","10.9922","0.0002","11.1557","0.0002","16.1415","0.0003","90","","90","","90","","1979.36","0.06","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O3 S -","- C23 H23 N O3 S -","- C92 H92 N4 O12 S4 -","4","1","","Wu, Yafei; Wang, Zhuo; Shan, Yuqian; Ma, Yukun; Li, Teng; Yuan, Chunhao; Guo, Hongchao; Mao, Biming","Palladium-catalyzed asymmetric [4 + 3] cycloaddition of methylene-trimethylenemethane: access to seven-membered exocyclic axially chiral allenes.","Chemical science","2024","15","25","9703","9708","10.1039/d4sc01649a","","","1.54178","CuKα","","0.0589","0.0588","","","0.1291","0.1293","","","","","","1.133","","","","has coordinates","292896","2024-07-05","14:59:45",""
"1571670","7.7942","0.0001","10.2718","0.0001","25.9536","0.0004","90","","90","","90","","2077.86","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O3 S -","- C23 H23 N O3 S -","- C92 H92 N4 O12 S4 -","4","1","","Wu, Yafei; Wang, Zhuo; Shan, Yuqian; Ma, Yukun; Li, Teng; Yuan, Chunhao; Guo, Hongchao; Mao, Biming","Palladium-catalyzed asymmetric [4 + 3] cycloaddition of methylene-trimethylenemethane: access to seven-membered exocyclic axially chiral allenes.","Chemical science","2024","15","25","9703","9708","10.1039/d4sc01649a","","x-ray","1.54184","CuKα","","0.077","0.0729","","","0.1902","0.194","","","","","","1.152","","","","has coordinates","292896","2024-07-05","14:59:46",""
"1571671","15.4014","0.0002","15.4014","0.0002","19.1444","0.0005","90","","90","","90","","4541.11","0.14","100","2","100","2","","","","","","","","6","I 4/m c m","-I 4 2c","140","","","","- C26 H27 F N2 O8 Zn2 -","- C26 H27 F N2 O8 Zn2 -","- C104 H108 F4 N8 O32 Zn8 -","4","0.125","","Di, Tuo; Yoshida, Yukihiro; Otake, Ken-Ichi; Kitagawa, Susumu; Kitagawa, Hiroshi","Increased CO<sub>2</sub>/N<sub>2</sub> selectivity by stepwise fluorination in isoreticular ultramicroporous metal-organic frameworks.","Chemical science","2024","15","25","9641","9648","10.1039/d4sc01525h","","","0.71075","MoKα","","0.0408","0.0387","","","0.1226","0.124","","","","","","1.169","","","","has coordinates,has disorder","292899","2024-07-05","15:00:49",""
"1571672","10.9257","0.0002","10.9257","0.0002","9.5984","0.0003","90","","90","","90","","1145.77","0.05","100","2","100","2","","","","","","","","6","P 4/m m m","-P 4 2","123","","","","- C26 H26 F2 N2 O8 Zn2 -","- C26 H26 F2 N2 O8 Zn2 -","- C26 H26 F2 N2 O8 Zn2 -","1","0.0625","","Di, Tuo; Yoshida, Yukihiro; Otake, Ken-Ichi; Kitagawa, Susumu; Kitagawa, Hiroshi","Increased CO<sub>2</sub>/N<sub>2</sub> selectivity by stepwise fluorination in isoreticular ultramicroporous metal-organic frameworks.","Chemical science","2024","15","25","9641","9648","10.1039/d4sc01525h","","","0.71075","MoKα","","0.0584","0.0576","","","0.1878","0.1884","","","","","","1.21","","","","has coordinates,has disorder","292899","2024-07-05","15:00:51",""
"1571673","4.6536","0.0003","8.2542","0.0003","13.682","0.0006","78.092","0.004","82.801","0.004","85.469","0.004","509.42","0.04","298","","298","","","","","","","","","6","P -1","-P 1","2","","<i>trans</i>-Dichloridobis(secnidazole-κ<i>N</i>^3^)copper(II)","","- C14 H22 Cl2 Cu N6 O6 -","- C14 H22 Cl2 Cu N6 O6 -","- C14 H22 Cl2 Cu N6 O6 -","1","0.5","BX4028","Angel-Nieto, Ismael; Arroyo-Carmona, Rosa Elena; Pérez-Benítez, Aarón; Aguirre-Hernández, Gerardo; Bernès, Sylvain","trans-Dichloridobis(secnidazole-κN 3)copper(II)","IUCrData","2024","9","5","","","10.1107/S2414314624003766","","x-ray","0.71073","MoKα","","0.0604","0.0413","","","0.0963","0.1075","","","","","","1.048","","","","has coordinates","291953","2024-05-18","01:59:00",""
"1571674","4.3286","0.0008","21.334","0.004","9.2941","0.0016","90","","93.744","0.004","90","","856.4","0.3","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 2-hydroxy-4-iodobenzoate","","- C8 H7 I O3 -","- C8 H7 I O3 -","- C32 H28 I4 O12 -","4","1","HB4468","Kimble, Marten J.; Myers, Shea D.; Benedict, Jason B.","Methyl 2-hydroxy-4-iodobenzoate","IUCrData","2024","9","5","","","10.1107/S2414314624003948","","","0.71073","MoKα","","0.0349","0.0299","","","0.0559","0.0574","","","","","","1.111","","","","has coordinates","291954","2024-05-18","01:59:13",""
"1571675","9.189","0.0004","12.6757","0.0006","10.9694","0.0005","90","","114.013","0.002","90","","1167.1","0.09","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H27 N5 O4 S -","- C22 H27 N5 O4 S -","- C44 H54 N10 O8 S2 -","2","1","","Rehman, Zainab; Lubay, Jairah; Franks, W. Trent Trent; Corlett, Emily; Nguyen, Bao; Scrivens, Garry; Samas, Brian; Frericks-Schmidt, Heather; Brown, Steven P.","Organic NMR Crystallography: Enabling Progress for Applications to Pharmaceuticals and Plant Cell Walls","Faraday Discussions","2024","","","","","10.1039/D4FD00088A","","","1.54178","CuKα","","0.0225","0.0217","","","0.0556","0.0561","","","","","","1.08","","","","has coordinates","291963","2024-05-20","23:11:13",""
"1571676","11.3465","0.0002","12.5357","0.0002","13.0549","0.0002","109.944","0.002","101.745","0.001","105.832","0.001","1586.41","0.06","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","Cr(OSi(tBu)3)2(XyNC)4","","- C60 H90 Cr N4 O8 Si2 -","- C60 H90 Cr N4 O8 Si2 -","- C60 H90 Cr N4 O8 Si2 -","1","0.5","","Kakiuchi, Yuya; Shapovalova, Svetlana; Protsenko, Bogdan; Guda, Sergey; Safonova, Olga V.; Guda, Alexander; Copéret, Christophe","Influence of strong π-acceptor ligands on Cr-K-edge X-ray absorption spectral signatures and consequences for the interpretation of surface sites in the Phillips catalyst.","Catalysis science & technology","2024","14","13","3682","3690","10.1039/d3cy01692g","","x-ray","1.54184","CuKα","","0.0336","0.0322","","","0.1089","0.1118","","","","","","0.996","","","","has coordinates","292756","2024-07-05","12:58:40",""
"1571677","10.928","0.0004","28.6868","0.001","14.0779","0.0006","90","","110.037","0.005","90","","4146.1","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Cr(O(tBu)2C6H3)2(XyNC)2","","- C46 H60 Cr N2 O2 -","- C46 H60 Cr N2 O2 -","- C184 H240 Cr4 N8 O8 -","4","1","","Kakiuchi, Yuya; Shapovalova, Svetlana; Protsenko, Bogdan; Guda, Sergey; Safonova, Olga V.; Guda, Alexander; Copéret, Christophe","Influence of strong π-acceptor ligands on Cr-K-edge X-ray absorption spectral signatures and consequences for the interpretation of surface sites in the Phillips catalyst.","Catalysis science & technology","2024","14","13","3682","3690","10.1039/d3cy01692g","","x-ray","1.54184","CuKα","","0.068","0.0612","","","0.1456","0.1488","","","","","","1.108","","","","has coordinates","292756","2024-07-05","12:58:42",""
"1571678","13.1907","0.0003","20.8362","0.0005","23.4449","0.0006","90","","90","","90","","6443.7","0.3","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Cr(OSi(tBu)3)3(XyNC)2","","- C54 H99 Cr N2 O12 Si3 -","- C54 H99 Cr N2 O12 Si3 -","- C216 H396 Cr4 N8 O48 Si12 -","4","1","","Kakiuchi, Yuya; Shapovalova, Svetlana; Protsenko, Bogdan; Guda, Sergey; Safonova, Olga V.; Guda, Alexander; Copéret, Christophe","Influence of strong π-acceptor ligands on Cr-K-edge X-ray absorption spectral signatures and consequences for the interpretation of surface sites in the Phillips catalyst.","Catalysis science & technology","2024","14","13","3682","3690","10.1039/d3cy01692g","","x-ray","1.54184","CuKα","","0.0854","0.0835","","","0.1905","0.1915","","","","","","1.104","","","","has coordinates,has disorder","292756","2024-07-05","12:58:42",""
"1571679","9.8065","0.0002","12.5029","0.0003","16.1592","0.0003","90","","95.599","0.002","90","","1971.82","0.07","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(5-Fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-ido-κ<i>N</i>^1^)(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)zinc(II) perchlorate","","- C14 H26 Cl F N6 O6 Zn -","- C14 H26 Cl F N6 O6 Zn -","- C56 H104 Cl4 F4 N24 O24 Zn4 -","4","1","BT4149","Ichimaru, Yoshimi; Kato, Koichi; Jin, Wanchun; Kurihara, Masaaki; Kurosaki, Hiromasa","(5-Fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-ido-κN 1)(1,4,8,11-tetraazacyclotetradecane-κ4 N)zinc(II) perchlorate","IUCrData","2024","9","5","","","10.1107/S2414314624004310","","x-ray","1.54184","CuKα","","0.0645","0.0635","","","0.1773","0.1785","","","","","","1.106","","","","has coordinates","291983","2024-05-22","02:00:18",""
"1571680","16.9122","0.0007","16.9122","0.0007","31.516","0.003","90","","90","","90","","9014.3","1","273","2","273","2","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C118 H138 Cu4 F24 N32 Zr4 -","- C118 H138 Cu4 F24 N32 Zr4 -","- C236 H276 Cu8 F48 N64 Zr8 -","2","0.125","","Li, Yi; Wu, Yanxin; Zhao, Jiaxin; Duan, Jingui; Jin, Wanqin","Systemic regulation of binding sites in porous coordination polymers for ethylene purification from ternary C2 hydrocarbons.","Chemical science","2024","15","24","9318","9324","10.1039/d4sc02659d","","","0.71073","MoKα","","0.0507","0.0447","","","0.1279","0.1323","","","","","","1.127","","","","has coordinates,has disorder","292855","2024-07-05","13:56:10",""
"1571681","16.7225","0.0005","16.7225","0.0005","31.858","0.0014","90","","90","","90","","8908.8","0.5","301","2","301","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C29 H24 Cu F12 N8 O0 Zr -","- C29 H24 Cu F12 N8 Zr -","- C232 H192 Cu8 F96 N64 Zr8 -","8","0.5","","Li, Yi; Wu, Yanxin; Zhao, Jiaxin; Duan, Jingui; Jin, Wanqin","Systemic regulation of binding sites in porous coordination polymers for ethylene purification from ternary C2 hydrocarbons.","Chemical science","2024","15","24","9318","9324","10.1039/d4sc02659d","","","0.71073","MoKα","","0.0918","0.0713","","","0.1896","0.1967","","","","","","1.347","","","","has coordinates,has disorder","292855","2024-07-05","13:56:11",""
"1571682","16.8758","0.0002","16.8758","0.0002","31.7415","0.0011","90","","90","","90","","9039.7","0.3","293","2","293","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C27 H25 Cu F12 N8 O0 Zr -","- C27 H25 Cu F12 N10 Zr -","- C216 H200 Cu8 F96 N80 Zr8 -","8","0.5","","Li, Yi; Wu, Yanxin; Zhao, Jiaxin; Duan, Jingui; Jin, Wanqin","Systemic regulation of binding sites in porous coordination polymers for ethylene purification from ternary C2 hydrocarbons.","Chemical science","2024","15","24","9318","9324","10.1039/d4sc02659d","","","0.71073","MoKα","","0.0405","0.0356","","","0.1015","0.1035","","","","","","1.169","","","","has coordinates","292855","2024-07-05","13:56:11",""
"1571683","17.0131","0.0003","17.0131","0.0003","31.454","0.0013","90","","90","","90","","9104.2","0.4","296","2","296","2","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C118 H124 Cu4 F24 N32 Zr4 -","- C118 H124 Cu4 F24 N32 Zr4 -","- C236 H248 Cu8 F48 N64 Zr8 -","2","0.125","","Li, Yi; Wu, Yanxin; Zhao, Jiaxin; Duan, Jingui; Jin, Wanqin","Systemic regulation of binding sites in porous coordination polymers for ethylene purification from ternary C2 hydrocarbons.","Chemical science","2024","15","24","9318","9324","10.1039/d4sc02659d","","","0.71073","MoKα","","0.0495","0.044","","","0.1393","0.144","","","","","","1.182","","","","has coordinates,has disorder","292855","2024-07-05","13:56:11",""
"1571684","17.1374","0.0009","17.1374","0.0009","31.4","0.003","90","","90","","90","","9221.9","1.1","273","2","273","2","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C26 H24 Cu F6 N8 Zr -","- C26 H24 Cu F6 N8 Zr -","- C208 H192 Cu8 F48 N64 Zr8 -","8","0.5","","Li, Yi; Wu, Yanxin; Zhao, Jiaxin; Duan, Jingui; Jin, Wanqin","Systemic regulation of binding sites in porous coordination polymers for ethylene purification from ternary C2 hydrocarbons.","Chemical science","2024","15","24","9318","9324","10.1039/d4sc02659d","","","0.71073","MoKα","","0.0388","0.0337","","","0.0906","0.093","","","","","","1.072","","","","has coordinates","292855","2024-07-05","13:56:11",""
"1571685","17.105","0.003","17.105","0.003","31.249","0.011","90","","90","","90","","9143","4","273","2","273","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C118 H108 Cu4 F24 N32 O16 Zr4 -","- C118 H108 Cu4 F24 N32 O16 Zr4 -","- C236 H216 Cu8 F48 N64 O32 Zr8 -","2","0.125","","Li, Yi; Wu, Yanxin; Zhao, Jiaxin; Duan, Jingui; Jin, Wanqin","Systemic regulation of binding sites in porous coordination polymers for ethylene purification from ternary C2 hydrocarbons.","Chemical science","2024","15","24","9318","9324","10.1039/d4sc02659d","","","0.71073","MoKα","","0.1107","0.0662","","","0.1793","0.212","","","","","","1.116","","","","has coordinates,has disorder","292855","2024-07-05","13:56:11",""
"1571686","16.8824","0.0016","16.8824","0.0016","31.921","0.006","90","","90","","90","","9098","2","273","2","273","2","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C26 H18 Cu F12 N8 Zr -","- C26 H18 Cu F12 N8 Zr -","- C208 H144 Cu8 F96 N64 Zr8 -","8","0.5","","Li, Yi; Wu, Yanxin; Zhao, Jiaxin; Duan, Jingui; Jin, Wanqin","Systemic regulation of binding sites in porous coordination polymers for ethylene purification from ternary C2 hydrocarbons.","Chemical science","2024","15","24","9318","9324","10.1039/d4sc02659d","","","0.71073","MoKα","","0.0451","0.0409","","","0.1314","0.1338","","","","","","1.064","","","","has coordinates","292855","2024-07-05","13:56:11",""
"1571687","16.9799","0.0005","16.9799","0.0005","31.1337","0.0011","90","","90","","90","","8976.4","0.5","273","2","273","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C118 H122 Cu4 F24 N32 O16 Zr4 -","- C118 H122 Cu4 F24 N32 O16 Zr4 -","- C236 H244 Cu8 F48 N64 O32 Zr8 -","2","0.125","","Li, Yi; Wu, Yanxin; Zhao, Jiaxin; Duan, Jingui; Jin, Wanqin","Systemic regulation of binding sites in porous coordination polymers for ethylene purification from ternary C2 hydrocarbons.","Chemical science","2024","15","24","9318","9324","10.1039/d4sc02659d","","","0.71073","MoKα","","0.0648","0.0562","","","0.1682","0.1769","","","","","","1.192","","","","has coordinates,has disorder","292855","2024-07-05","13:56:11",""
"1571688","5.4676","0.0008","10.7252","0.0015","26.292","0.004","90","","90","","90","","1541.8","0.4","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Cl O -","- C19 H15 Cl O -","- C76 H60 Cl4 O4 -","4","1","","Wang, Xunhua; Lv, Ruifeng; Li, Xiaoxun","Kinetic resolution of 1-(1-alkynyl)cyclopropyl ketones <i>via</i> gold-catalyzed divergent (4 + 4) cycloadditions: stereoselective access to furan fused eight-membered heterocycles.","Chemical science","2024","15","24","9361","9368","10.1039/d4sc02763a","","x-ray","1.54178","CuKα","","0.0595","0.0481","","","0.1196","0.1274","","","","","","1.013","","","","has coordinates","292862","2024-07-05","13:58:34",""
"1571689","7.228","0.002","10.686","0.003","25.745","0.007","90","","90","","90","","1988.5","1","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 F N O2 -","- C26 H20 F N O2 -","- C104 H80 F4 N4 O8 -","4","1","","Wang, Xunhua; Lv, Ruifeng; Li, Xiaoxun","Kinetic resolution of 1-(1-alkynyl)cyclopropyl ketones <i>via</i> gold-catalyzed divergent (4 + 4) cycloadditions: stereoselective access to furan fused eight-membered heterocycles.","Chemical science","2024","15","24","9361","9368","10.1039/d4sc02763a","","","1.54178","CuKα","","0.0303","0.0299","","","0.0786","0.079","","","","","","1.062","","","","has coordinates","292862","2024-07-05","13:58:35",""
"1571690","12.1952","0.0003","12.2266","0.0003","12.7568","0.0004","78.461","0.002","62.446","0.003","64.147","0.003","1517.58","0.09","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H32 O6 -","- C40 H32 O6 -","- C80 H64 O12 -","2","1","","Wang, Xunhua; Lv, Ruifeng; Li, Xiaoxun","Kinetic resolution of 1-(1-alkynyl)cyclopropyl ketones <i>via</i> gold-catalyzed divergent (4 + 4) cycloadditions: stereoselective access to furan fused eight-membered heterocycles.","Chemical science","2024","15","24","9361","9368","10.1039/d4sc02763a","","x-ray","1.54184","CuKα","","0.0611","0.0496","","","0.1226","0.1296","","","","","","1.055","","","","has coordinates","292862","2024-07-05","13:58:35",""
"1571691","9.75307","0.00009","16.23315","0.00013","18.76027","0.00018","90","","90","","90","","2970.18","0.05","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H21 N O -","- C18 H21 N O -","- C144 H168 N8 O8 -","8","1","","Sui, Xianwei; Dang, Hang T.; Porey, Arka; Trevino, Ramon; Das, Arko; Fremin, Seth O.; Hughes, William B.; Thompson, William T.; Dhakal, Shree Krishna; Arman, Hadi D.; Larionov, Oleg V.","Acridine photocatalysis enables tricomponent direct decarboxylative amine construction.","Chemical science","2024","15","25","9582","9590","10.1039/d4sc02356k","","x-ray","1.54184","CuKα","","0.0381","0.0348","","","0.0899","0.0928","","","","","","1.019","","","","has coordinates","292902","2024-07-05","15:01:21",""
"1571692","5.64642","0.00005","20.42415","0.00018","13.59672","0.00011","90","","92.2646","0.0007","90","","1566.79","0.02","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N -","- C20 H25 N -","- C80 H100 N4 -","4","1","","Sui, Xianwei; Dang, Hang T.; Porey, Arka; Trevino, Ramon; Das, Arko; Fremin, Seth O.; Hughes, William B.; Thompson, William T.; Dhakal, Shree Krishna; Arman, Hadi D.; Larionov, Oleg V.","Acridine photocatalysis enables tricomponent direct decarboxylative amine construction.","Chemical science","2024","15","25","9582","9590","10.1039/d4sc02356k","","x-ray","1.54184","CuKα","","0.0418","0.0389","","","0.0995","0.1021","","","","","","1.041","","","","has coordinates","292902","2024-07-05","15:01:21",""
"1571693","9.2584","0.0002","9.9261","0.0002","11.8278","0.0003","93.448","0.002","90.414","0.002","96.639","0.002","1077.62","0.04","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H34 N2 O2 -","- C25 H34 N2 O2 -","- C50 H68 N4 O4 -","2","1","","Sui, Xianwei; Dang, Hang T.; Porey, Arka; Trevino, Ramon; Das, Arko; Fremin, Seth O.; Hughes, William B.; Thompson, William T.; Dhakal, Shree Krishna; Arman, Hadi D.; Larionov, Oleg V.","Acridine photocatalysis enables tricomponent direct decarboxylative amine construction.","Chemical science","2024","15","25","9582","9590","10.1039/d4sc02356k","","x-ray","1.54184","CuKα","","0.0579","0.0521","","","0.1251","0.1297","","","","","","1.022","","","","has coordinates,has disorder","292902","2024-07-05","15:01:21",""
"1571694","5.71447","0.00011","17.9506","0.0003","16.3618","0.0003","90","","99.38","0.002","90","","1655.92","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N O -","- C21 H23 N O -","- C84 H92 N4 O4 -","4","1","","Sui, Xianwei; Dang, Hang T.; Porey, Arka; Trevino, Ramon; Das, Arko; Fremin, Seth O.; Hughes, William B.; Thompson, William T.; Dhakal, Shree Krishna; Arman, Hadi D.; Larionov, Oleg V.","Acridine photocatalysis enables tricomponent direct decarboxylative amine construction.","Chemical science","2024","15","25","9582","9590","10.1039/d4sc02356k","","x-ray","1.54184","CuKα","","0.0472","0.0409","","","0.1009","0.1053","","","","","","1.051","","","","has coordinates","292902","2024-07-05","15:01:21",""
"1571695","8.8935","0.0002","14.9861","0.0004","16.6162","0.0003","112.739","0.002","90.306","0.002","103.676","0.002","1972.96","0.09","100.01","0.15","100.01","0.15","","","","","","","","4","P -1","-P 1","2","","","","- C23 H29 N O3 -","- C23 H29 N O3 -","- C92 H116 N4 O12 -","4","2","","Sui, Xianwei; Dang, Hang T.; Porey, Arka; Trevino, Ramon; Das, Arko; Fremin, Seth O.; Hughes, William B.; Thompson, William T.; Dhakal, Shree Krishna; Arman, Hadi D.; Larionov, Oleg V.","Acridine photocatalysis enables tricomponent direct decarboxylative amine construction.","Chemical science","2024","15","25","9582","9590","10.1039/d4sc02356k","","x-ray","1.54184","CuKα","","0.0883","0.0783","","","0.1685","0.1732","","","","","","1.073","","","","has coordinates","292902","2024-07-05","15:01:21",""
"1571696","5.9523","0.0006","13.5277","0.0014","9.0395","0.0009","90","","104.324","0.003","90","","705.24","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C36 H34 N2 O4 -","2","1","","Kilgallon, Landon J.; McFadden, Timothy P.; Sigman, Matthew S.; Johnson, Jeremiah A.","Tricyclononenes and tricyclononadienes as efficient monomers for controlled ROMP: understanding structure-propagation rate relationships and enabling facile post-polymerization modification.","Chemical science","2024","15","22","8334","8345","10.1039/d4sc01986e","","","1.54178","CuKα","","0.0277","0.0276","","","0.0707","0.0708","","","","","","1.053","","","","has coordinates","292865","2024-07-05","14:07:25",""
"1571697","7.5018","0.0006","10.4685","0.0007","9.002","0.0007","90","","108.336","0.004","90","","671.06","0.09","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C36 H34 N2 O4 -","2","0.5","","Kilgallon, Landon J.; McFadden, Timothy P.; Sigman, Matthew S.; Johnson, Jeremiah A.","Tricyclononenes and tricyclononadienes as efficient monomers for controlled ROMP: understanding structure-propagation rate relationships and enabling facile post-polymerization modification.","Chemical science","2024","15","22","8334","8345","10.1039/d4sc01986e","","","1.54178","CuKα","","0.0517","0.0478","","","0.1273","0.1306","","","","","","1.071","","","","has coordinates","292865","2024-07-05","14:07:28",""
"1571698","7.9853","0.0011","11.7489","0.0017","10.3831","0.0015","90","","103.886","0.006","90","","945.7","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 O5 -","- C11 H10 O5 -","- C44 H40 O20 -","4","1","","Kilgallon, Landon J.; McFadden, Timothy P.; Sigman, Matthew S.; Johnson, Jeremiah A.","Tricyclononenes and tricyclononadienes as efficient monomers for controlled ROMP: understanding structure-propagation rate relationships and enabling facile post-polymerization modification.","Chemical science","2024","15","22","8334","8345","10.1039/d4sc01986e","","","0.71073","MoKα","","0.0553","0.0469","","","0.1192","0.1269","","","","","","1.028","","","","has coordinates","292865","2024-07-05","14:07:38",""
"1571699","7.3505","0.0006","9.0364","0.0006","18.556","0.0014","89.703","0.004","88.498","0.004","82.907","0.004","1222.67","0.16","193","","193","","","","","","","","","6","P -1","-P 1","2","A2H3OInCl6,H2O","A2H3OInCl6,H2O","","- C16 H25 Cl6 In N2 O4 -","- C16 H25 Cl6 In N2 O4 -","- C32 H50 Cl12 In2 N4 O8 -","2","1","","Zhou, Lei; Li, Kailei; Chang, Yuanyuan; Yao, Yuan; Peng, Yuqi; Li, Ming; He, Rongxing","High-efficiency color-tunable ultralong room-temperature phosphorescence from organic–inorganic metal halides via synergistic inter/intramolecular interactions","Chemical Science","2024","15","26","10046","10055","10.1039/D4SC01630K","","x-ray","1.34139","GaKα","","0.0844","0.0694","","","0.1914","0.2136","","","","","","1.035","","","","has coordinates","292873","2024-07-05","14:10:24",""
"1571700","4.8984","0.0002","15.8013","0.0006","10.8025","0.0005","90","","102.614","0.002","90","","815.94","0.06","193","","193","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ACl","ACl","","- C8 H10 Cl N O -","- C8 H10 Cl N O -","- C32 H40 Cl4 N4 O4 -","4","1","","Zhou, Lei; Li, Kailei; Chang, Yuanyuan; Yao, Yuan; Peng, Yuqi; Li, Ming; He, Rongxing","High-efficiency color-tunable ultralong room-temperature phosphorescence from organic–inorganic metal halides via synergistic inter/intramolecular interactions","Chemical Science","2024","15","26","10046","10055","10.1039/D4SC01630K","","x-ray","1.34139","GaKα","","0.0634","0.0517","","","0.1422","0.1503","","","","","","1.07","","","","has coordinates","292873","2024-07-05","14:10:26",""
"1571701","4.9287","0.0002","16.2486","0.0006","10.9152","0.0004","90","","102.485","0.001","90","","853.47","0.06","198","","198","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Abr","ABr","","- C8 H10 Br N O -","- C8 H10 Br N O -","- C32 H40 Br4 N4 O4 -","4","1","","Zhou, Lei; Li, Kailei; Chang, Yuanyuan; Yao, Yuan; Peng, Yuqi; Li, Ming; He, Rongxing","High-efficiency color-tunable ultralong room-temperature phosphorescence from organic–inorganic metal halides via synergistic inter/intramolecular interactions","Chemical Science","2024","15","26","10046","10055","10.1039/D4SC01630K","","x-ray","1.54178","CuKα","","0.0275","0.0262","","","0.0713","0.0719","","","","","","1.083","","","","has coordinates","292873","2024-07-05","14:10:34",""
"1571702","7.5012","0.0002","17.0754","0.0004","17.8494","0.0006","90","","101.815","0.001","90","","2237.82","0.11","193","","193","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","A2ZnBr4,H2O","A2ZnBr4,H2O","","- C16 H22 Br4 N2 O3 Zn -","- C16 H22 Br4 N2 O3 Zn -","- C64 H88 Br16 N8 O12 Zn4 -","4","1","","Zhou, Lei; Li, Kailei; Chang, Yuanyuan; Yao, Yuan; Peng, Yuqi; Li, Ming; He, Rongxing","High-efficiency color-tunable ultralong room-temperature phosphorescence from organic–inorganic metal halides via synergistic inter/intramolecular interactions","Chemical Science","2024","15","26","10046","10055","10.1039/D4SC01630K","","x-ray","0.71073","MoKα","","0.0263","0.0209","","","0.0475","0.0492","","","","","","1.051","","","","has coordinates","292873","2024-07-05","14:10:34",""
"1571703","9.3919","0.0006","11.4149","0.0007","11.0818","0.0006","90","","108.353","0.002","90","","1127.62","0.12","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","A2SnCl6","A2SnCl6","","- C16 H20 Cl6 N2 O2 Sn -","- C16 H20 Cl6 N2 O2 Sn -","- C32 H40 Cl12 N4 O4 Sn2 -","2","0.5","","Zhou, Lei; Li, Kailei; Chang, Yuanyuan; Yao, Yuan; Peng, Yuqi; Li, Ming; He, Rongxing","High-efficiency color-tunable ultralong room-temperature phosphorescence from organic–inorganic metal halides via synergistic inter/intramolecular interactions","Chemical Science","2024","15","26","10046","10055","10.1039/D4SC01630K","","","0.71073","MoKα","","0.0328","0.0278","","","0.0678","0.07","","","","","","1.254","","","","has coordinates","292873","2024-07-05","14:10:34",""
"1571704","7.308","0.003","16.775","0.008","17.665","0.008","90","","101.133","0.012","90","","2124.8","1.6","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","A2ZnCl4,H2O","A2ZnCl4,H2O","","- C16 H22 Cl4 N2 O3 Zn -","- C16 H22 Cl4 N2 O3 Zn -","- C64 H88 Cl16 N8 O12 Zn4 -","4","1","","Zhou, Lei; Li, Kailei; Chang, Yuanyuan; Yao, Yuan; Peng, Yuqi; Li, Ming; He, Rongxing","High-efficiency color-tunable ultralong room-temperature phosphorescence from organic–inorganic metal halides via synergistic inter/intramolecular interactions","Chemical Science","2024","15","26","10046","10055","10.1039/D4SC01630K","","","0.71073","MoKα","","0.1386","0.0781","","","0.1267","0.1465","","","","","","1.078","","","","has coordinates","292873","2024-07-05","14:10:34",""
"1571705","5.9813","0.0009","11.3702","0.0015","14.985","0.002","90","","93.681","0.008","90","","1017","0.2","100","2","100.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","4-aminophenylalanine","","- C18 H30 N4 O7 -","- C18 H30 N4 O7 -","- C36 H60 N8 O14 -","2","1","","Ramalhete, Susana; Green, Hayley; Angulo, Jesús; Iuga, Dinu; Fábián, László; Lloyd, Gareth O.; Khimyak, Yaroslav Z.","Probing assembly/disassembly of ordered molecular hydrogels","Faraday Discussions","2024","","","","","10.1039/D4FD00081A","","x-ray","0.71073","MoKα","","0.069","0.0573","","","0.1576","0.1654","","","","","","1.086","","","","has coordinates,has disorder","292010","2024-05-23","23:11:39",""
"1571706","7.2605","0.0009","10.4221","0.0014","14.668","0.002","90","","94.366","0.012","90","","1106.7","0.3","109","2","109","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Chlorido(2-{(2-hydroxyethyl)[tris(hydroxymethyl)methyl]amino}ethanolato-κ^5^<i>N</i>,<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''')copper(II)","","- C8 H18 Cl Cu N O5 -","- C8 H18 Cl Cu N O5 -","- C32 H72 Cl4 Cu4 N4 O20 -","4","1","WM4213","Fortis-Valera, Monserrat; Arroyo-Carmona, Rosa Elena; Pérez-Benítez, Aarón; Bernès, Sylvain","Chlorido(2-{(2-hydroxyethyl)[tris(hydroxymethyl)methyl]amino}ethanolato-κ5 N,O,O′,O′′,O′′′)copper(II)","IUCrData","2024","9","5","","","10.1107/S2414314624004395","","","0.71073","MoKα","","0.0655","0.0475","","","0.1144","0.1299","","","","","","1.046","","","","has coordinates","292032","2024-05-25","01:57:05",""
"1571707","9.2015","0.0019","15.281","0.004","20.007","0.003","104.66","0.02","97.26","0.02","102.4","0.02","2609","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C66.5 H58 D12 S -","- C66.5 H58 D12 S -","- C133 H116 D24 S2 -","2","1","","Prajapati, Bibek; Kwenda, Tendai; Lis, Tadeusz; Chmielewski, Piotr J.; Gómez-García, Carlos J.; Majewski, Marcin A.; Stępień, Marcin","Difluorenoheteroles: topological control of π conjugation in diradicaloids and mixed-valence radical ions","Chemical Science","2024","15","26","10101","10109","10.1039/D4SC02459A","","x-ray","1.54184","CuKα","","0.0666","0.0575","","","0.1654","0.1725","","","","","","1.087","","","","has coordinates,has disorder","292880","2024-07-05","14:14:46",""
"1571708","9.141","0.002","16.305","0.004","16.996","0.005","105.22","0.04","91.86","0.04","99.67","0.03","2401.8","1.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H67 N -","- C60 H67 N -","- C120 H134 N2 -","2","1","","Prajapati, Bibek; Kwenda, Tendai; Lis, Tadeusz; Chmielewski, Piotr J.; Gómez-García, Carlos J.; Majewski, Marcin A.; Stępień, Marcin","Difluorenoheteroles: topological control of π conjugation in diradicaloids and mixed-valence radical ions","Chemical Science","2024","15","26","10101","10109","10.1039/D4SC02459A","","x-ray","1.54184","CuKα","","0.1595","0.1176","","","0.3186","0.3408","","","","","","1.031","","","","has coordinates,has disorder","292880","2024-07-05","14:14:48",""
"1571709","9.742","0.002","15.56","0.004","30.552","0.012","90","","93.27","0.04","90","","4624","2","100","2","100.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C60 H67 N -","- C60 H67 N -","- C240 H268 N4 -","4","1","","Prajapati, Bibek; Kwenda, Tendai; Lis, Tadeusz; Chmielewski, Piotr J.; Gómez-García, Carlos J.; Majewski, Marcin A.; Stępień, Marcin","Difluorenoheteroles: topological control of π conjugation in diradicaloids and mixed-valence radical ions","Chemical Science","2024","15","26","10101","10109","10.1039/D4SC02459A","","","1.54184","CuKα","","0.1197","0.0633","","","0.1556","0.1911","","","","","","1.02","","","","has coordinates","292880","2024-07-05","14:14:48",""
"1571710","20.2235","0.0011","30.1037","0.0007","27.7552","0.0007","90","","108.649","0.004","90","","16010.2","1.1","171","2","171","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C160 H170 N14 Ni3 -","- C160 H170 N14 Ni3 -","- C640 H680 N56 Ni12 -","4","1","","Wang, Lina; Liao, Zian; Lin, Peng; Jia, Yingying; Liu, Le; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Rao, Yutao; Nakai, Akito; Tanaka, Takayuki; Shimizu, Daiki; Osuka, Atsuhiro; Song, Jianxin","Synthesis of NiII porphyrin—NiII 5,15-diazaporphyrin hybrid tapes","Chemical Science","2024","15","26","10207","10213","10.1039/D4SC01450B","","x-ray","1.54184","CuKα","","0.171","0.1127","","","0.3239","0.3921","","","","","","1.077","","","","has coordinates,has disorder","292878","2024-07-05","14:14:09",""
"1571711","11.99689","0.00017","15.9669","0.0002","23.9854","0.0003","73.518","0.0012","89.4513","0.0011","80.3482","0.0012","4339.81","0.1","101","2","101","2","","","","","","","","4","P -1","-P 1","2","","","","- C160 H170 N14 Ni3 -","- C160 H170 N14 Ni3 -","- C160 H170 N14 Ni3 -","1","0.5","","Wang, Lina; Liao, Zian; Lin, Peng; Jia, Yingying; Liu, Le; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Rao, Yutao; Nakai, Akito; Tanaka, Takayuki; Shimizu, Daiki; Osuka, Atsuhiro; Song, Jianxin","Synthesis of NiII porphyrin—NiII 5,15-diazaporphyrin hybrid tapes","Chemical Science","2024","15","26","10207","10213","10.1039/D4SC01450B","","x-ray","1.54184","CuKα","","0.0658","0.0625","","","0.1625","0.1652","","","","","","1.094","","","","has coordinates,has disorder","292878","2024-07-05","14:14:10",""
"1571712","16.4956","0.0003","19.5137","0.0008","27.9638","0.0006","90","","98.4471","0.0018","90","","8903.6","0.4","100.2","0.5","100.2","0.5","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C160 H168 N14 Ni3 -","- C160 H168 N14 Ni3 -","- C320 H336 N28 Ni6 -","2","0.5","","Wang, Lina; Liao, Zian; Lin, Peng; Jia, Yingying; Liu, Le; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Rao, Yutao; Nakai, Akito; Tanaka, Takayuki; Shimizu, Daiki; Osuka, Atsuhiro; Song, Jianxin","Synthesis of NiII porphyrin—NiII 5,15-diazaporphyrin hybrid tapes","Chemical Science","2024","15","26","10207","10213","10.1039/D4SC01450B","","x-ray","1.54184","CuKα","","0.1191","0.0939","","","0.285","0.3089","","","","","","1.126","","","","has coordinates","292878","2024-07-05","14:14:10",""
"1571713","16.6924","0.0004","19.0219","0.0005","21.9272","0.0006","80.695","0.002","71.43","0.002","72.72","0.002","6284.6","0.3","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C128 H122 Cl5 F6 N10 Ni2 Sb -","- C128 H122 Cl5 F6 N10 Ni2 Sb -","- C256 H244 Cl10 F12 N20 Ni4 Sb2 -","2","1","","Wang, Lina; Liao, Zian; Lin, Peng; Jia, Yingying; Liu, Le; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Rao, Yutao; Nakai, Akito; Tanaka, Takayuki; Shimizu, Daiki; Osuka, Atsuhiro; Song, Jianxin","Synthesis of NiII porphyrin—NiII 5,15-diazaporphyrin hybrid tapes","Chemical Science","2024","15","26","10207","10213","10.1039/D4SC01450B","","x-ray","1.54184","CuKα","","0.1193","0.1035","","","0.2774","0.2938","","","","","","1.033","","","","has coordinates,has disorder","292878","2024-07-05","14:14:10",""
"1571714","12.1732","0.0004","15.6437","0.0003","24.1466","0.0004","72.6545","0.0016","80.455","0.002","79.266","0.002","4282.49","0.18","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C160 H170 N14 Ni3 -","- C160 H170 N14 Ni3 -","- C160 H170 N14 Ni3 -","1","0.5","","Wang, Lina; Liao, Zian; Lin, Peng; Jia, Yingying; Liu, Le; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Rao, Yutao; Nakai, Akito; Tanaka, Takayuki; Shimizu, Daiki; Osuka, Atsuhiro; Song, Jianxin","Synthesis of NiII porphyrin—NiII 5,15-diazaporphyrin hybrid tapes","Chemical Science","2024","15","26","10207","10213","10.1039/D4SC01450B","","x-ray","1.54184","CuKα","","0.0729","0.0604","","","0.1527","0.1605","","","","","","1.018","","","","has coordinates,has disorder","292878","2024-07-05","14:14:10",""
"1571715","33.012","0.0007","17.7275","0.0003","30.1749","0.0005","90","","91.719","0.002","90","","17651","0.6","99.9","0.5","99.9","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C205 H229 N14 Ni3 O -","- C205 H229 N14 Ni3 O -","- C820 H916 N56 Ni12 O4 -","4","1","","Wang, Lina; Liao, Zian; Lin, Peng; Jia, Yingying; Liu, Le; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Rao, Yutao; Nakai, Akito; Tanaka, Takayuki; Shimizu, Daiki; Osuka, Atsuhiro; Song, Jianxin","Synthesis of NiII porphyrin—NiII 5,15-diazaporphyrin hybrid tapes","Chemical Science","2024","15","26","10207","10213","10.1039/D4SC01450B","","x-ray","1.54184","CuKα","","0.0832","0.0613","","","0.1478","0.1625","","","","","","1.022","","","","has coordinates,has disorder","292878","2024-07-05","14:14:10",""
"1571716","19.5178","0.0005","27.725","0.0009","28.7677","0.0006","104.436","0.002","95.669","0.002","104.971","0.003","14340.6","0.7","100.27","0.1","100.27","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C160 H164 N14 Ni3 -","- C160 H164 N14 Ni3 -","- C480 H492 N42 Ni9 -","3","1.5","","Wang, Lina; Liao, Zian; Lin, Peng; Jia, Yingying; Liu, Le; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Rao, Yutao; Nakai, Akito; Tanaka, Takayuki; Shimizu, Daiki; Osuka, Atsuhiro; Song, Jianxin","Synthesis of NiII porphyrin—NiII 5,15-diazaporphyrin hybrid tapes","Chemical Science","2024","15","26","10207","10213","10.1039/D4SC01450B","","x-ray","1.54184","CuKα","","0.1492","0.0983","","","0.2607","0.3045","","","","","","0.984","","","","has coordinates","292878","2024-07-05","14:14:10",""
"1571717","19.8298","0.0003","27.6668","0.0004","28.8267","0.0004","104.249","0.0011","96.2653","0.0012","105.308","0.0013","14526","0.4","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C480 H487 Cl3 N42 Ni9 -","- C480 H487 Cl3 N42 Ni9 -","- C480 H487 Cl3 N42 Ni9 -","1","0.5","","Wang, Lina; Liao, Zian; Lin, Peng; Jia, Yingying; Liu, Le; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Rao, Yutao; Nakai, Akito; Tanaka, Takayuki; Shimizu, Daiki; Osuka, Atsuhiro; Song, Jianxin","Synthesis of NiII porphyrin—NiII 5,15-diazaporphyrin hybrid tapes","Chemical Science","2024","15","26","10207","10213","10.1039/D4SC01450B","","x-ray","1.54184","CuKα","","0.1384","0.0982","","","0.2645","0.2935","","","","","","0.959","","","","has coordinates,has disorder","292878","2024-07-05","14:14:10",""
"1571718","14.7232","0.0002","9.8889","0.0001","51.6585","0.0006","90","","94.723","0.001","90","","7495.74","0.15","99.98","0.12","99.98","0.12","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","TTABN","","- C96 H84 B2 N6 -","- C96 H84 B2 N6 -","- C384 H336 B8 N24 -","4","1","","Chen, Yi-Kuan; Lei, Jian; Wu, Tien-Lin","Elevating the upconversion performance of a multiple resonance thermally activated delayed fluorescence emitter via an embedded azepine approach","Chemical Science","2024","15","26","10146","10154","10.1039/D4SC02351J","","x-ray","1.54184","CuKα","","0.0629","0.0539","","","0.1342","0.1385","","","","","","1.118","","","","has coordinates","292879","2024-07-05","14:14:23",""
"1571719","20.7278","0.00013","13.75053","0.00009","25.09061","0.00016","90","","90","","90","","7151.28","0.08","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","TAzBN","","- C48 H36 B N3 -","- C48 H36 B N3 -","- C384 H288 B8 N24 -","8","1","","Chen, Yi-Kuan; Lei, Jian; Wu, Tien-Lin","Elevating the upconversion performance of a multiple resonance thermally activated delayed fluorescence emitter via an embedded azepine approach","Chemical Science","2024","15","26","10146","10154","10.1039/D4SC02351J","","x-ray","1.54184","CuKα","","0.0454","0.0408","","","0.1091","0.1125","","","","","","1.038","","","","has coordinates","292879","2024-07-05","14:14:24",""
"1571720","24.6517","0.0011","6.4107","0.0003","26.2782","0.0012","90","","106.673","0.002","90","","3978.3","0.3","293","","293","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H22 Mg N4 O14 -","- C10 H22 Mg N4 O14 -","- C80 H176 Mg8 N32 O112 -","8","1","","Li, Yang; Ok, Kang Min","Crystal clear: unveiling giant birefringence in organic–inorganic cocrystals","Chemical Science","2024","15","26","10193","10199","10.1039/D4SC02569E","","","0.71073","MoKα","","0.1177","0.0843","","","0.1705","0.1859","","","","","","1.176","","","","has coordinates","292876","2024-07-05","14:11:25",""
"1571721","8.821","0.008","10.477","0.009","9.205","0.009","90","","110.89","0.03","90","","794.8","1.3","171","","171","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Li2 N4 O10 -","- C10 H14 Li2 N4 O10 -","- C20 H28 Li4 N8 O20 -","2","0.5","","Li, Yang; Ok, Kang Min","Crystal clear: unveiling giant birefringence in organic–inorganic cocrystals","Chemical Science","2024","15","26","10193","10199","10.1039/D4SC02569E","","","0.71073","MoKα","","0.0926","0.0535","","","0.113","0.1307","","","","","","1.019","","","","has coordinates","292876","2024-07-05","14:11:26",""
"1571722","8.212","0.0006","8.9624","0.0006","9.932","0.0007","82.101","0.002","68.227","0.002","70.184","0.002","638.59","0.08","140","","140","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 Li2 N6 O12 -","- C20 H24 Li2 N6 O12 -","- C20 H24 Li2 N6 O12 -","1","0.5","","Li, Yang; Ok, Kang Min","Crystal clear: unveiling giant birefringence in organic–inorganic cocrystals","Chemical Science","2024","15","26","10193","10199","10.1039/D4SC02569E","","x-ray","0.71073","MoKα","","0.0453","0.0404","","","0.1088","0.1127","","","","","","1.022","","","","has coordinates","292876","2024-07-05","14:11:26",""
"1571723","16.7116","0.0001","14.0718","0.0001","15.4454","0.0001","90","","96.098","0.001","90","","3611.62","0.04","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H32 F6 Fe Ir N4 P -","- C42 H32 F6 Fe Ir N4 P -","- C168 H128 F24 Fe4 Ir4 N16 P4 -","4","1","","Gayen, Firdaus Rahaman; Chawla, Sakshi; Bora, Debashree; Borkotoky, Lodsna; Gazi, Sarifuddin; Mallick, Dibyendu; Maurya, Ram Awatar; De, Arijit Kumar; Saha, Biswajit","Boosting photocatalytic efficiency of iridium polypyridyl complex in coupling reaction through the induction of ferrocene: insights into bimetallic catalysis","Catalysis Science & Technology","2024","14","13","3618","3628","10.1039/D3CY01418E","","","1.54184","CuKα","","0.0364","0.0338","","","0.0906","0.0925","","","","","","1.049","","","","has coordinates","292754","2024-07-05","12:57:54",""
"1571724","20.806","0.0003","32.6834","0.0005","41.5251","0.0008","90","","98.7177","0.0016","90","","27911.3","0.8","293","2","293","2","","","","","","","","12","P 1 21/n 1","-P 2yn","14","","","","- C195 H231.18 Ag22 Cl Cu F12 O34 P12 S11 Sb2 Si W9 -","- C195 H231.186 Ag22 Cl Cu F12 O34 P12 S11 Sb2 Si W9 -","- C780 H924.744 Ag88 Cl4 Cu4 F48 O136 P48 S44 Sb8 Si4 W36 -","4","1","","Zhang, Jing; Dong, Yuanyuan; Deng, Lan; Chi, Manzhou; Feng, Yeqin; Zhao, Mengyun; Lv, Hongjin; Yang, Guo-Yu","Polyoxometalate-mediated syntheses of three structurally new silver clusters.","Nanoscale","2024","16","24","11518","11523","10.1039/d4nr02016b","","","0.71073","MoKα","","0.1655","0.1165","","","0.2989","0.3435","","","","","","1.028","","","","has coordinates,has disorder","293176","2024-07-05","17:28:24",""
"1571725","18.6002","0.0002","22.9769","0.0003","23.2397","0.0003","67.851","0.001","66.927","0.001","78.924","0.001","8451.8","0.2","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C250 Ag16 Co8 N4 O82 P16 S6 Si2 W18 -","- C250 Ag16 Co8 N4 O82 P16 S6 Si2 W18 -","- C250 Ag16 Co8 N4 O82 P16 S6 Si2 W18 -","1","0.5","","Zhang, Jing; Dong, Yuanyuan; Deng, Lan; Chi, Manzhou; Feng, Yeqin; Zhao, Mengyun; Lv, Hongjin; Yang, Guo-Yu","Polyoxometalate-mediated syntheses of three structurally new silver clusters.","Nanoscale","2024","16","24","11518","11523","10.1039/d4nr02016b","","","0.71073","MoKα","","0.0796","0.0495","","","0.1216","0.1383","","","","","","1.021","","","","has coordinates,has disorder","293176","2024-07-05","17:28:24",""
"1571726","21.7876","0.0002","21.8079","0.0002","59.0524","0.0004","86.911","0.001","86.835","0.001","80.006","0.001","27562.3","0.4","180","0.1","180","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C390 H466 Ag48 Cl2 O105.39 P24 S22 Si3 W30 -","- C390 H466 Ag48 Cl2 O105.394 P24 S22 Si3 W30 -","- C780 H932 Ag96 Cl4 O210.788 P48 S44 Si6 W60 -","2","1","","Zhang, Jing; Dong, Yuanyuan; Deng, Lan; Chi, Manzhou; Feng, Yeqin; Zhao, Mengyun; Lv, Hongjin; Yang, Guo-Yu","Polyoxometalate-mediated syntheses of three structurally new silver clusters.","Nanoscale","2024","16","24","11518","11523","10.1039/d4nr02016b","","x-ray","0.71073","MoKα","","0.1564","0.1503","","","0.3286","0.3312","","","","","","1.219","","","","has coordinates,has disorder","293176","2024-07-05","17:28:25",""
"1571727","9.2861","0.0003","15.141","0.0005","15.1451","0.0006","118.4","0.001","95.188","0.001","95.18","0.001","1843.74","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H23 Co I2 N2 -","- C16 H23 Co I2 N2 -","- C64 H92 Co4 I8 N8 -","4","2","","Trotta, Caterina; Dahiya, Pardeep; Baldinelli, Lorenzo; Menendez Rodriguez, Gabriel; Chakraborty, Priyanka; Bistoni, Giovanni; De Angelis, Filippo; Sundararaju, Basker; Macchioni, Alceo","A cobalt molecular catalyst for hydrogen evolution reaction with remarkable activity in phosphate buffered water solution","Catalysis Science & Technology","2024","14","13","3699","3706","10.1039/D4CY00209A","","","0.71073","MoKα","","0.0618","0.0382","","","0.1072","0.1362","","","","","","0.83","","","","has coordinates","292755","2024-07-05","12:58:19",""
"1571728","8.202","0.0007","9.8816","0.0009","12.3164","0.0011","89.106","0.002","83.431","0.002","76.17","0.002","962.86","0.15","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","Complex-2","","- C17 H25 Co I2 N2 -","- C17 H25 Co I2 N2 -","- C34 H50 Co2 I4 N4 -","2","1","","Trotta, Caterina; Dahiya, Pardeep; Baldinelli, Lorenzo; Menendez Rodriguez, Gabriel; Chakraborty, Priyanka; Bistoni, Giovanni; De Angelis, Filippo; Sundararaju, Basker; Macchioni, Alceo","A cobalt molecular catalyst for hydrogen evolution reaction with remarkable activity in phosphate buffered water solution","Catalysis Science & Technology","2024","14","13","3699","3706","10.1039/D4CY00209A","","x-ray","0.71073","MoKα","","0.0307","0.0269","","","0.0913","0.1","","","","","","0.7766","","","","has coordinates","292755","2024-07-05","12:58:26",""
"1571729","14.2142","0.0008","14.3406","0.0007","19.3048","0.0009","97.833","0.002","93.512","0.002","99.176","0.002","3834.6","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C203 H130 Cl8 N16 O5 -","- C196 H116 N16 O4 -","- C196 H116 N16 O4 -","1","0.5","","Xie, Feng-Ming; Wang, Han-Yang; Li, Hao-Ze; Zhang, Kai; Shen, Yang; Zou, Jianhua; Li, Yan-Qing; Tang, Jian-Xin","Intramolecular exciplex featuring a bis-sp<sup>3</sup> C-locked acceptor-donor-acceptor sandwich.","Materials horizons","2024","11","16","3921","3927","10.1039/d4mh00400k","","","0.71073","MoKα","","0.1103","0.083","","","0.1789","0.1942","","","","","","1.0895","","","","has coordinates","294647","2024-09-06","02:11:03",""
"1571730","23.163","0.002","12.6413","0.0011","15.781","0.0013","90","","91.796","0.003","90","","4618.6","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H60 Os4 Th -","- C40 H60 Os4 Th -","- C160 H240 Os16 Th4 -","4","1","","Ye, Christopher Z.; Del Rosal, Iker; Kelly, Sheridon N.; Brackbill, I. Joseph; Maron, Laurent; Camp, Clément; Arnold, John","Photolysis-driven bond activation by thorium and uranium tetraosmate polyhydride complexes.","Chemical science","2024","15","25","9784","9792","10.1039/d4sc02380c","","","0.7288","synchrotron","","0.0521","0.0387","","","0.0801","0.0862","","","","","","1.041","","","","has coordinates","292895","2024-07-05","14:59:26",""
"1571731","18.6052","0.0005","9.9998","0.0003","13.383","0.0004","90","","90","","90","","2489.88","0.12","100","","100","","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C46 H73 Os4 Th -","- C46 H73 Os4 Th -","- C92 H146 Os8 Th2 -","2","0.5","","Ye, Christopher Z.; Del Rosal, Iker; Kelly, Sheridon N.; Brackbill, I. Joseph; Maron, Laurent; Camp, Clément; Arnold, John","Photolysis-driven bond activation by thorium and uranium tetraosmate polyhydride complexes.","Chemical science","2024","15","25","9784","9792","10.1039/d4sc02380c","","x-ray","0.71073","MoKα","","0.0247","0.0216","","","0.0463","0.047","","","","","","1.045","","","","has coordinates,has disorder","292895","2024-07-05","14:59:35",""
"1571732","13.7391","0.0015","13.7391","0.0015","25.158","0.003","90","","90","","90","","4748.9","0.9","100","","100","","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","","","","- C46 H64 Os4 Th -","- C46 H64 Os4 Th -","- C184 H256 Os16 Th4 -","4","0.25","","Ye, Christopher Z.; Del Rosal, Iker; Kelly, Sheridon N.; Brackbill, I. Joseph; Maron, Laurent; Camp, Clément; Arnold, John","Photolysis-driven bond activation by thorium and uranium tetraosmate polyhydride complexes.","Chemical science","2024","15","25","9784","9792","10.1039/d4sc02380c","","","0.7288","synchrotron","","0.051","0.0445","","","0.1071","0.1101","","","","","","1.214","","","","has coordinates,has disorder","292895","2024-07-05","14:59:36",""
"1571733","40.875","0.004","10.0269","0.001","23.315","0.002","90","","113.731","0.004","90","","8747.7","1.5","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H59 Os4 U -","- C40 H59 Os4 U -","- C320 H472 Os32 U8 -","8","1","","Ye, Christopher Z.; Del Rosal, Iker; Kelly, Sheridon N.; Brackbill, I. Joseph; Maron, Laurent; Camp, Clément; Arnold, John","Photolysis-driven bond activation by thorium and uranium tetraosmate polyhydride complexes.","Chemical science","2024","15","25","9784","9792","10.1039/d4sc02380c","","","0.7288","synchrotron","","0.0397","0.0314","","","0.067","0.0701","","","","","","1.069","","","","has coordinates,has disorder","292895","2024-07-05","14:59:36",""
"1571734","21.395","0.002","21.395","0.002","21.395","0.002","90","","90","","90","","9793.5","1.6","100","","100","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C40 H60 Os4 U -","- C39.999 H59.9985 Os4 U -","- C319.992 H479.988 Os32 U8 -","8","0.333333","","Ye, Christopher Z.; Del Rosal, Iker; Kelly, Sheridon N.; Brackbill, I. Joseph; Maron, Laurent; Camp, Clément; Arnold, John","Photolysis-driven bond activation by thorium and uranium tetraosmate polyhydride complexes.","Chemical science","2024","15","25","9784","9792","10.1039/d4sc02380c","","","0.7288","synchrotron","","0.0372","0.0342","","","0.0965","0.0986","","","","","","1.109","","","","has coordinates,has disorder","292895","2024-07-05","14:59:36",""
"1571735","5.1363","0.0001","7.0488","0.0002","20.63","0.0006","87.499","0.002","87.373","0.002","75.469","0.002","721.85","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H36 Br2 N2 O4 -","- C30 H36 Br2 N2 O4 -","- C30 H36 Br2 N2 O4 -","1","0.5","","Giri, Indrajit; Chhetri, Shant; John P, Jesslyn; Mondal, Madalasa; Dey, Arka Bikash; Vijayaraghavan, Ratheesh K.","Engineered solid-state aggregates in brickwork stacks of n-type organic semiconductors: a way to achieve high electron mobility.","Chemical science","2024","15","25","9630","9640","10.1039/d4sc02339k","","x-ray","1.54184","CuKα","","0.0487","0.0458","","","0.1233","0.1274","","","","","","1.049","","","","has coordinates","292892","2024-07-05","14:58:43",""
"1571736","5.088","0.008","7.898","0.012","17.03","0.02","93.5","0.05","92.9","0.04","93.65","0.05","680.7","1.7","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H38 N2 O4 -","- C30 H38 N2 O4 -","- C30 H38 N2 O4 -","1","0.5","","Giri, Indrajit; Chhetri, Shant; John P, Jesslyn; Mondal, Madalasa; Dey, Arka Bikash; Vijayaraghavan, Ratheesh K.","Engineered solid-state aggregates in brickwork stacks of n-type organic semiconductors: a way to achieve high electron mobility.","Chemical science","2024","15","25","9630","9640","10.1039/d4sc02339k","","","0.71073","MoKα","","0.2081","0.1776","","","0.3906","0.4118","","","","","","1.668","","","","has coordinates","292892","2024-07-05","14:58:44",""
"1571737","5.2191","0.0003","9.7042","0.0004","14.6193","0.0006","92.556","0.003","99.112","0.004","90.114","0.004","730.32","0.06","99.97","0.15","99.97","0.15","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 Br4 N2 O4 -","- C30 H34 Br4 N2 O4 -","- C30 H34 Br4 N2 O4 -","1","0.5","","Giri, Indrajit; Chhetri, Shant; John P, Jesslyn; Mondal, Madalasa; Dey, Arka Bikash; Vijayaraghavan, Ratheesh K.","Engineered solid-state aggregates in brickwork stacks of n-type organic semiconductors: a way to achieve high electron mobility.","Chemical science","2024","15","25","9630","9640","10.1039/d4sc02339k","","x-ray","1.54184","CuKα","","0.1043","0.0953","","","0.2924","0.3137","","","","","","1.454","","","","has coordinates,has disorder","292892","2024-07-05","14:58:44",""
"1571738","25.207","0.0012","25.207","0.0012","14.984","0.001","90","","90","","120","","8245.2","0.8","100","","100","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C110 H73 F17 N9 O12 -","- C104 H63.9996 F16.9998 N6 O12 -","- C208 H127.999 F33.9996 N12 O24 -","2","0.333333","","Karmakar, Pratik; Finnegan, Tyler J.; Rostam, Darian C.; Taneja, Sagarika; Uçar, Sefa; Hansen, Alexandar L.; Moore, Curtis E.; Hadad, Christopher M.; Pratumyot, Kornkanya; Parquette, Jon R.; Badjić, Jovica D.","Molecular bowls for inclusion complexation of toxic anticancer drug methotrexate","Chemical Science","2024","15","26","10155","10163","10.1039/D3SC05627A","","x-ray","0.71073","MoKα","K-L~3~","0.2652","0.1611","","","0.369","0.45","","","","","","1.396","","","","has coordinates,has disorder","292875","2024-07-05","14:11:10",""
"1571739","11.0742","0.0006","8.9131","0.0005","11.9898","0.0007","90","","97.772","0.002","90","","1172.59","0.11","213","","213","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 B10 N2 O2 -","- C20 H26 B10 N2 O2 -","- C40 H52 B20 N4 O4 -","2","1","","Zhu, Mengjie; Wang, Puzhao; Wu, Zhengqiu; Zhong, Yangfa; Su, Laiman; Xin, Yuquan; Spokoyny, Alexander M.; Zou, Chao; Mu, Xin","A Pd-catalyzed route to carborane-fused boron heterocycles.","Chemical science","2024","15","27","10392","10401","10.1039/d4sc02214a","","","1.34139","GaKα","","0.0943","0.0601","","","0.1423","0.1646","","","","","","1.049","","","","has coordinates","293754","2024-08-05","18:01:56",""
"1571740","7.6015","0.0003","10.8533","0.0004","12.873","0.0005","104.407","0.002","96.511","0.002","91.171","0.002","1020.7","0.07","213","","213","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 B10 N2 O4 -","- C14 H22 B10 N2 O4 -","- C28 H44 B20 N4 O8 -","2","1","","Zhu, Mengjie; Wang, Puzhao; Wu, Zhengqiu; Zhong, Yangfa; Su, Laiman; Xin, Yuquan; Spokoyny, Alexander M.; Zou, Chao; Mu, Xin","A Pd-catalyzed route to carborane-fused boron heterocycles.","Chemical science","2024","15","27","10392","10401","10.1039/d4sc02214a","","","1.34139","GaKα","","0.0678","0.0513","","","0.143","0.1565","","","","","","1.056","","","","has coordinates","293754","2024-08-05","18:01:57",""
"1571741","10.2799","0.0002","29.3893","0.0006","13.7124","0.0003","90","","103.772","0.001","90","","4023.68","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H46 B12 Cl2 N2 O4 -","- C31 H46 B12 Cl2 N2 O4 -","- C124 H184 B48 Cl8 N8 O16 -","4","1","","Zhu, Mengjie; Wang, Puzhao; Wu, Zhengqiu; Zhong, Yangfa; Su, Laiman; Xin, Yuquan; Spokoyny, Alexander M.; Zou, Chao; Mu, Xin","A Pd-catalyzed route to carborane-fused boron heterocycles.","Chemical science","2024","15","27","10392","10401","10.1039/d4sc02214a","","","1.54178","CuKα","","0.1168","0.0944","","","0.2632","0.2951","","","","","","1.052","","","","has coordinates,has disorder","293754","2024-08-05","18:01:57",""
"1571742","9.9546","0.0004","11.4754","0.0005","13.422","0.0006","108.262","0.002","111.141","0.001","90.935","0.002","1343.46","0.1","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 B10 Cl2 N4 -","- C23 H24 B10 Cl2 N4 -","- C46 H48 B20 Cl4 N8 -","2","1","","Zhu, Mengjie; Wang, Puzhao; Wu, Zhengqiu; Zhong, Yangfa; Su, Laiman; Xin, Yuquan; Spokoyny, Alexander M.; Zou, Chao; Mu, Xin","A Pd-catalyzed route to carborane-fused boron heterocycles.","Chemical science","2024","15","27","10392","10401","10.1039/d4sc02214a","","x-ray","0.71073","MoKα","","0.0662","0.0452","","","0.122","0.1386","","","","","","1.065","","","","has coordinates,has disorder","293754","2024-08-05","18:01:57",""
"1571743","11.4304","0.0002","13.1152","0.0003","14.0118","0.0003","90","","104.978","0.001","90","","2029.17","0.07","213","","213","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 B10 Br N -","- C16 H20 B10 Br N -","- C64 H80 B40 Br4 N4 -","4","1","","Zhu, Mengjie; Wang, Puzhao; Wu, Zhengqiu; Zhong, Yangfa; Su, Laiman; Xin, Yuquan; Spokoyny, Alexander M.; Zou, Chao; Mu, Xin","A Pd-catalyzed route to carborane-fused boron heterocycles.","Chemical science","2024","15","27","10392","10401","10.1039/d4sc02214a","","","1.34139","GaKα","","0.0415","0.0354","","","0.0885","0.0928","","","","","","1.04","","","","has coordinates","293754","2024-08-05","18:01:57",""
"1571744","9.712","0.002","11.259","0.003","19.629","0.003","90","","90.43","0.013","90","","2146.3","0.8","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","123","","- C17 H24 B10 N2 O3 -","- C17 H24 B10 N2 O3 -","- C68 H96 B40 N8 O12 -","4","1","","Zhu, Mengjie; Wang, Puzhao; Wu, Zhengqiu; Zhong, Yangfa; Su, Laiman; Xin, Yuquan; Spokoyny, Alexander M.; Zou, Chao; Mu, Xin","A Pd-catalyzed route to carborane-fused boron heterocycles.","Chemical science","2024","15","27","10392","10401","10.1039/d4sc02214a","","","1.54178","CuKα","","0.0922","0.0685","","","0.1879","0.2056","","","","","","1.055","","","","has coordinates,has disorder","293754","2024-08-05","18:01:57",""
"1571745","15.2441","0.0003","11.0252","0.0002","12.837","0.0003","90","","100.802","0.001","90","","2119.28","0.08","213","","213","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H9 B5 N2 O4 -","- C7 H9 B5 N2 O4 -","- C56 H72 B40 N16 O32 -","8","1","","Zhu, Mengjie; Wang, Puzhao; Wu, Zhengqiu; Zhong, Yangfa; Su, Laiman; Xin, Yuquan; Spokoyny, Alexander M.; Zou, Chao; Mu, Xin","A Pd-catalyzed route to carborane-fused boron heterocycles.","Chemical science","2024","15","27","10392","10401","10.1039/d4sc02214a","","","1.34139","GaKα","","0.0502","0.0457","","","0.1265","0.1308","","","","","","1.056","","","","has coordinates","293754","2024-08-05","18:01:57",""
"1571746","9.8802","0.0013","15.147","0.002","19.407","0.004","90","","90","","90","","2904.4","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H17 B10 Br N2 -","- C7 H17 B10 Br N2 -","- C56 H136 B80 Br8 N16 -","8","1","","Zhu, Mengjie; Wang, Puzhao; Wu, Zhengqiu; Zhong, Yangfa; Su, Laiman; Xin, Yuquan; Spokoyny, Alexander M.; Zou, Chao; Mu, Xin","A Pd-catalyzed route to carborane-fused boron heterocycles.","Chemical science","2024","15","27","10392","10401","10.1039/d4sc02214a","","","0.71073","MoKα","","0.0922","0.0492","","","0.1143","0.1395","","","","","","1.03","","","","has coordinates","293754","2024-08-05","18:01:57",""
"1571747","7.3214","0.0015","22.248","0.004","12.425","0.003","90","","94.249","0.015","90","","2018.3","0.7","302","","302","","","","","","","","","4","P 1 21 1","P 2yb","4","","123","","- C18 H20 B10 N2 -","- C18 H20 B10 N2 -","- C72 H80 B40 N8 -","4","2","","Zhu, Mengjie; Wang, Puzhao; Wu, Zhengqiu; Zhong, Yangfa; Su, Laiman; Xin, Yuquan; Spokoyny, Alexander M.; Zou, Chao; Mu, Xin","A Pd-catalyzed route to carborane-fused boron heterocycles.","Chemical science","2024","15","27","10392","10401","10.1039/d4sc02214a","","","1.54178","CuKα","","0.066","0.0442","","","0.1126","0.1219","","","","","","1.05","","","","has coordinates","293754","2024-08-05","18:01:57",""
"1571748","9.2904","0.0015","10.4019","0.0016","11.1933","0.0018","80.24","0.008","66.662","0.007","67.274","0.007","915.9","0.3","302","","302","","","","","","","","","5","P -1","-P 1","2","","123","","- C13 H18 B10 N2 O3 -","- C13 H18 B10 N2 O3 -","- C26 H36 B20 N4 O6 -","2","1","","Zhu, Mengjie; Wang, Puzhao; Wu, Zhengqiu; Zhong, Yangfa; Su, Laiman; Xin, Yuquan; Spokoyny, Alexander M.; Zou, Chao; Mu, Xin","A Pd-catalyzed route to carborane-fused boron heterocycles.","Chemical science","2024","15","27","10392","10401","10.1039/d4sc02214a","","","1.54178","CuKα","","0.0548","0.0486","","","0.1394","0.1426","","","","","","1.075","","","","has coordinates","293754","2024-08-05","18:01:57",""
"1571749","10.4497","0.0003","13.3728","0.0004","17.3909","0.0005","90","","92.063","0.002","90","","2428.66","0.12","302","","302","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","123","","- C21 H26 B10 N2 O3 -","- C21 H26 B10 N2 O3 -","- C84 H104 B40 N8 O12 -","4","1","","Zhu, Mengjie; Wang, Puzhao; Wu, Zhengqiu; Zhong, Yangfa; Su, Laiman; Xin, Yuquan; Spokoyny, Alexander M.; Zou, Chao; Mu, Xin","A Pd-catalyzed route to carborane-fused boron heterocycles.","Chemical science","2024","15","27","10392","10401","10.1039/d4sc02214a","","","1.54178","CuKα","","0.0528","0.0422","","","0.1165","0.1245","","","","","","1.074","","","","has coordinates","293754","2024-08-05","18:01:57",""
"1571750","26.5187","0.0005","26.5187","0.0005","26.5187","0.0005","90","","90","","90","","18649","0.6","100","2","100","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C192 H144 Cl F18 Fe2 N36 O4 P3 -","- C180 H120 Cl F18 Fe2 N36 P3 -","- C720 H480 Cl4 F72 Fe8 N144 P12 -","4","0.333333","","Risa, Arnau; Barrios, Leoní A; Diego, Rosa; Roubeau, Olivier; Aleshin, Dmitry Y.; Nelyubina, Yulia; Novikov, Valentin; Teat, Simon J.; Ribas-Ariño, Jordi; Aromí, Guillem","Engineered π⋯π interactions favour supramolecular dimers X@[FeL<sub>3</sub>]<sub>2</sub> (X = Cl, Br, I): solid state and solution structure.","Chemical science","2024","15","24","9047","9053","10.1039/d4sc01365d","","","0.7288","synchrotron","","0.0526","0.0503","","","0.1469","0.15","","","","","","1.066","","","","has coordinates,has disorder","292851","2024-07-05","13:54:54",""
"1571751","26.5373","0.0007","26.5373","0.0007","26.5373","0.0007","90","","90","","90","","18688.3","0.9","100","2","100","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C192 H144 Br F18 Fe2 N36 O4 P3 -","- C180 H120 Br F18 Fe2 N36 P3 -","- C720 H480 Br4 F72 Fe8 N144 P12 -","4","0.333333","","Risa, Arnau; Barrios, Leoní A; Diego, Rosa; Roubeau, Olivier; Aleshin, Dmitry Y.; Nelyubina, Yulia; Novikov, Valentin; Teat, Simon J.; Ribas-Ariño, Jordi; Aromí, Guillem","Engineered π⋯π interactions favour supramolecular dimers X@[FeL<sub>3</sub>]<sub>2</sub> (X = Cl, Br, I): solid state and solution structure.","Chemical science","2024","15","24","9047","9053","10.1039/d4sc01365d","","","0.7288","synchrotron","","0.0889","0.0742","","","0.2073","0.2223","","","","","","1.042","","","","has coordinates,has disorder","292851","2024-07-05","13:54:54",""
"1571752","26.532","0.003","26.532","0.003","26.532","0.003","90","","90","","90","","18677","4","100","2","100","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C195 H152 F15.66 Fe2 I2.17 N36 O6 P2.61 -","- C180 H120 F15.6636 Fe2 I2.1682 N36 O P2.6106 -","- C720 H480 F62.6544 Fe8 I8.6728 N144 O4 P10.4424 -","4","0.333333","","Risa, Arnau; Barrios, Leoní A; Diego, Rosa; Roubeau, Olivier; Aleshin, Dmitry Y.; Nelyubina, Yulia; Novikov, Valentin; Teat, Simon J.; Ribas-Ariño, Jordi; Aromí, Guillem","Engineered π⋯π interactions favour supramolecular dimers X@[FeL<sub>3</sub>]<sub>2</sub> (X = Cl, Br, I): solid state and solution structure.","Chemical science","2024","15","24","9047","9053","10.1039/d4sc01365d","","","0.72932","synchrotron","","0.0546","0.0542","","","0.1597","0.1604","","","","","","1.067","","","","has coordinates,has disorder","292851","2024-07-05","13:54:54",""
"1571753","14.1616","0.0001","14.6125","0.0001","15.9286","0.0001","66.405","0.001","76.568","0.001","74.111","0.001","2876.94","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C70 H74 Cl4 -","- C70 H74 Cl4 -","- C140 H148 Cl8 -","2","1","","Swain, Asim; Radacki, Krzysztof; Braunschweig, Holger; Ravat, Prince","Helically twisted nanoribbons <i>via</i> stereospecific annulative π-extension reaction employing [7]helicene as a molecular wrench.","Chemical science","2024","15","30","11737","11747","10.1039/d4sc01814a","","x-ray","1.54184","CuKα","K-L~2,3~","0.0671","0.0643","","","0.1687","0.171","","","","","","1.072","","","","has coordinates,has disorder","293770","2024-08-05","18:10:06",""
"1571754","14.6922","0.0004","15.4658","0.0004","16.5251","0.0004","114.189","0.003","109.595","0.003","93.418","0.002","3140.92","0.19","100","2","100.01","0.1","","","","","","","","3","P 1","P 1","1","","","","- C83 H60 Cl6 -","- C83 H60 Cl6 -","- C166 H120 Cl12 -","2","2","","Swain, Asim; Radacki, Krzysztof; Braunschweig, Holger; Ravat, Prince","Helically twisted nanoribbons <i>via</i> stereospecific annulative π-extension reaction employing [7]helicene as a molecular wrench.","Chemical science","2024","15","30","11737","11747","10.1039/d4sc01814a","","","1.54184","CuKα","","0.1143","0.0936","","","0.2424","0.2691","","","","","","1.052","","","","has coordinates,has disorder","293770","2024-08-05","18:10:06",""
"1571755","19.7467","0.0005","13.7604","0.0003","19.3018","0.0005","90","","94.242","0.002","90","","5230.4","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H27 Cl Fe N2 O3 -","- C30 H27 Cl Fe N2 O3 -","- C240 H216 Cl8 Fe8 N16 O24 -","8","1","","Li, Wei; Yu, Jing; Wang, Jing; Fan, Xuejing; Xu, Ximing; Wang, Hui; Xiong, Ying; Li, Xinyu; Zhang, Xiaomin; Zhang, Qianer; Qi, Xin; Pigeon, Pascal; Gu, Qing; Bruno-Colmenarez, Julia; Jaouen, Gérard; McGlinchey, Michael J.; Qiu, Xue; You, Shu-Li; Li, Jing; Wang, Yong","How does ferrocene correlate with ferroptosis? Multiple approaches to explore ferrocene-appended GPX4 inhibitors as anticancer agents.","Chemical science","2024","15","27","10477","10490","10.1039/d4sc02002b","","","1.54186","CuKα","","0.0513","0.0402","","","0.095","0.109","","","","","","1.082","","","","has coordinates","293755","2024-08-05","18:02:13",""
"1571756","10.5013","0.0003","12.2497","0.0004","12.4905","0.0004","60.915","0.002","76.06","0.002","73.339","0.002","1335.26","0.08","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H28 Cl2 Fe N2 O3 -","- C29 H28 Cl2 Fe N2 O3 -","- C58 H56 Cl4 Fe2 N4 O6 -","2","1","","Li, Wei; Yu, Jing; Wang, Jing; Fan, Xuejing; Xu, Ximing; Wang, Hui; Xiong, Ying; Li, Xinyu; Zhang, Xiaomin; Zhang, Qianer; Qi, Xin; Pigeon, Pascal; Gu, Qing; Bruno-Colmenarez, Julia; Jaouen, Gérard; McGlinchey, Michael J.; Qiu, Xue; You, Shu-Li; Li, Jing; Wang, Yong","How does ferrocene correlate with ferroptosis? Multiple approaches to explore ferrocene-appended GPX4 inhibitors as anticancer agents.","Chemical science","2024","15","27","10477","10490","10.1039/d4sc02002b","","","1.54186","CuKα","","0.0671","0.0631","","","0.1729","0.1771","","","","","","1.047","","","","has coordinates,has disorder","293755","2024-08-05","18:02:15",""
"1571757","15.0583","0.0004","17.6346","0.0005","9.3797","0.0003","90","","90.429","0.002","90","","2490.68","0.13","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 Cl Fe N2 O2 S -","- C27 H27 Cl Fe N2 O2 S -","- C108 H108 Cl4 Fe4 N8 O8 S4 -","4","1","","Li, Wei; Yu, Jing; Wang, Jing; Fan, Xuejing; Xu, Ximing; Wang, Hui; Xiong, Ying; Li, Xinyu; Zhang, Xiaomin; Zhang, Qianer; Qi, Xin; Pigeon, Pascal; Gu, Qing; Bruno-Colmenarez, Julia; Jaouen, Gérard; McGlinchey, Michael J.; Qiu, Xue; You, Shu-Li; Li, Jing; Wang, Yong","How does ferrocene correlate with ferroptosis? Multiple approaches to explore ferrocene-appended GPX4 inhibitors as anticancer agents.","Chemical science","2024","15","27","10477","10490","10.1039/d4sc02002b","","","1.54186","CuKα","","0.0572","0.0391","","","0.0969","0.1038","","","","","","0.944","","","","has coordinates,has disorder","293755","2024-08-05","18:02:15",""
"1571758","8.0168","0.0004","42.038","0.002","15.3836","0.0007","90","","97.965","0.003","90","","5134.4","0.4","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C41 H22 O -","- C41 H22 O -","- C328 H176 O8 -","8","2","","Šámal, Michal; Sturm, Ludmilla; Banasiewicz, Marzena; Deperasinska, Irena; Kozankiewicz, Boleslaw; Morawski, Olaf; Nagata, Yuuya; Dechambenoit, Pierre; Bock, Harald; Rossel, Amandine; Buděšínský, Miloš; Boudier, Anthony; Jančařík, Andrej","Carbonyl mediated fluorescence in aceno[<i>n</i>]helicenones and fluoreno[<i>n</i>]helicenes.","Chemical science","2024","15","25","9842","9850","10.1039/d4sc00892h","","","0.71073","MoKα","","0.128","0.0632","","","0.1193","0.1397","","","","","","1.057","","","","has coordinates","292901","2024-07-05","15:01:10",""
"1571759","15.5109","0.0011","8.9771","0.0007","16.8196","0.0013","90","","101.427","0.004","90","","2295.6","0.3","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H20 O -","- C37 H20 O -","- C148 H80 O4 -","4","1","","Šámal, Michal; Sturm, Ludmilla; Banasiewicz, Marzena; Deperasinska, Irena; Kozankiewicz, Boleslaw; Morawski, Olaf; Nagata, Yuuya; Dechambenoit, Pierre; Bock, Harald; Rossel, Amandine; Buděšínský, Miloš; Boudier, Anthony; Jančařík, Andrej","Carbonyl mediated fluorescence in aceno[<i>n</i>]helicenones and fluoreno[<i>n</i>]helicenes.","Chemical science","2024","15","25","9842","9850","10.1039/d4sc00892h","","","0.71073","MoKα","","0.1117","0.0861","","","0.1992","0.2198","","","","","","1.164","","","","has coordinates","292901","2024-07-05","15:01:11",""
"1571760","10.6528","0.0007","13.9671","0.0009","18.2044","0.0011","90","","90","","90","","2708.6","0.3","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C45 H24 O -","- C45 H24 O -","- C180 H96 O4 -","4","1","","Šámal, Michal; Sturm, Ludmilla; Banasiewicz, Marzena; Deperasinska, Irena; Kozankiewicz, Boleslaw; Morawski, Olaf; Nagata, Yuuya; Dechambenoit, Pierre; Bock, Harald; Rossel, Amandine; Buděšínský, Miloš; Boudier, Anthony; Jančařík, Andrej","Carbonyl mediated fluorescence in aceno[<i>n</i>]helicenones and fluoreno[<i>n</i>]helicenes.","Chemical science","2024","15","25","9842","9850","10.1039/d4sc00892h","","","0.71073","MoKα","","0.0453","0.0442","","","0.1285","0.1296","","","","","","1.117","","","","has coordinates","292901","2024-07-05","15:01:11",""
"1571761","11.782","0.0006","18.0992","0.001","38.789","0.002","87.108","0.003","89.657","0.002","86.001","0.003","8240.9","0.8","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C164 H124 F15 N3 O19 -","- C164 H124 F15 N3 O19 -","- C328 H248 F30 N6 O38 -","2","1","","Nian, Hao; Wang, Song-Meng; Wang, Yan-Fang; Zheng, Yu-Tao; Zheng, Li-Shuo; Wang, Xiaoping; Yang, Liu-Pan; Jiang, Wei; Cao, Liping","Selective recognition and enrichment of C70 over C60 using an anthracene-based nanotube","Chemical Science","2024","15","26","10214","10220","10.1039/D4SC02814G","","","1.34139","GaKα","","0.1448","0.0904","","","0.2784","0.3228","","","","","","1.071","","","","has coordinates,has disorder","292874","2024-07-05","14:10:59",""
"1571762","15.0972","0.0014","24.931","0.002","29.79","0.003","88.424","0.003","82.103","0.003","84.163","0.003","11047.6","1.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C165 H144 Cl12 F24 N4 P4 -","- C165 H144 Cl12 F24 N4 P4 -","- C330 H288 Cl24 F48 N8 P8 -","2","1","","Dong, Shaoqiang; Han, Yi; Tong, Zekun; Wang, Jinfeng; Zhang, Yishan; Li, Aisen; Gopalakrishna, Tullimilli Y.; Tian, Hongkun; Chi, Chunyan","Facile synthesis and characterization of aza-bridged all-benzenoid quinoidal figure-eight and cage molecules.","Chemical science","2024","15","24","9087","9095","10.1039/d3sc02707d","","","0.71073","MoKα","","0.2292","0.1501","","","0.3719","0.4006","","","","","","1.909","","","","has coordinates","292858","2024-07-05","13:57:15",""
"1571763","24.0699","0.0007","24.0699","0.0007","29.1508","0.0014","90","","90","","120","","14626.1","0.9","100","2","100","2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C204 H162 F36 N6 Sb6 -","- C204 H162 F36 N6 Sb6 -","- C408 H324 F72 N12 Sb12 -","2","0.166667","","Dong, Shaoqiang; Han, Yi; Tong, Zekun; Wang, Jinfeng; Zhang, Yishan; Li, Aisen; Gopalakrishna, Tullimilli Y.; Tian, Hongkun; Chi, Chunyan","Facile synthesis and characterization of aza-bridged all-benzenoid quinoidal figure-eight and cage molecules.","Chemical science","2024","15","24","9087","9095","10.1039/d3sc02707d","","","1.54178","CuKα","","0.1959","0.1543","","","0.3581","0.3977","","","","","","2.191","","","","has coordinates","292858","2024-07-05","13:57:16",""
"1571764","10.6769","0.0003","17.9611","0.0005","7.0266","0.0002","90","","90","","90","","1347.48","0.07","295","2","295","2","","","","","","","","3","P n a 21","P 2c -2n","33","","2-Oxo-2<i>H</i>-chromen-4-yl 3,3-dimethylbutanoate","","- C15 H16 O4 -","- C15 H16 O4 -","- C60 H64 O16 -","4","1","HB4474","Bationo, Valentin; Ziki, Eric; Sombié, Charles Bavouma; Semdé, Rasmané; Djandé, Abdoulaye","2-Oxo-2H-chromen-4-yl 3,3-dimethylbutanoate","IUCrData","2024","9","5","","","10.1107/S2414314624004942","","","1.54184","CuKα","","0.032","0.0305","","","0.0823","0.0841","","","","","","1.05","","","","has coordinates","292162","2024-06-01","02:25:11",""
"1571765","13.0619","0.0017","7.6891","0.001","20.475","0.003","90","","106.809","0.014","90","","1968.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(10-Bromoanthracen-9-yl)-<i>N</i>-phenylaniline","","- C26 H18 Br N -","- C26 H18 Br N -","- C104 H72 Br4 N4 -","4","1","HB4471","Saravanan, Dhandayutham; Ponraj, C.; Khamrang, Themmila; Hemamalini, Madhukar; Antony, G. Jerald Maria","2-(10-Bromoanthracen-9-yl)-N-phenylaniline","IUCrData","2024","9","5","","","10.1107/S2414314624004759","","","0.71073","MoKα","","0.0677","0.0494","","","0.118","0.1293","","","","","","1.046","","","","has coordinates","292163","2024-06-01","02:25:26",""
"1571766","5.2598","0.0008","5.2598","0.0008","15.778","0.003","90","","90","","120","","378.03","0.11","300","2","300","2","","","","","","","","4","R -3 :H","-R 3","148","","Trisodium iron(III) ditellurium(VI) nonaoxide","","- Fe0.6666 Na2 O6 Te1.3333 -","- Fe0.6666 Na2 O6 Te1.3334 -","- Fe1.9998 Na6 O18 Te4.0002 -","3","0.166667","","Eder, Felix; Weil, Matthias","Ilmenite-type Na2(Fe2/3Te4/3)O6","IUCrData","2024","9","5","","","10.1107/S2414314624004826","","","0.71073","MoKα","","0.0326","0.0266","","","0.0642","0.0658","","","","","","1.031","","","","has coordinates","292164","2024-06-01","02:25:42",""
"1571767","4.8838","0.0002","18.3867","0.0007","5.1522","0.0002","90","","110.325","0.0016","90","","433.85","0.03","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","(<i>S</i>)-2-Carboxyethyl <i>L</i>-cysteinyl sulfone","(2<i>S</i>)-2-Azaniumyl-3-[(2-carboxyethane)sulfonyl]propanoate","","- C6 H11 N O6 S -","- C6 H11 N O6 S -","- C12 H22 N2 O12 S2 -","2","1","PK4044","Waters, James K.; Kelley, Steven P.; Mossine, Valeri V.; Mawhinney, Thomas P.","(S)-2-Carboxyethyl L-cysteinyl sulfone","IUCrData","2024","9","5","","","10.1107/S2414314624004802","","","0.71073","MoKα","","0.019","0.0189","","","0.0508","0.0508","","","","","","1.102","","","","has coordinates","292165","2024-06-01","02:25:58",""
"1571768","14.21628","0.00018","20.7477","0.0002","18.221","0.0002","90","","110.078","0.0015","90","","5047.74","0.11","130","0.2","130","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Octakis(dibutylammonium) decamolybdate(VI)","","- C64 H160 Mo10 N8 O34 -","- C64 H160 Mo10 N8 O34 -","- C128 H320 Mo20 N16 O68 -","2","0.5","WM4210","Gueye, Papa Aly; Yaffa, Lamine; Seye, Dame; Ndoye, Daouda; Traoré, Bocar; Sidibé, Mamadou; Diop, Cheikh Abdoul Khadir; Shova, Sergiu","Octakis(dibutylammonium) decamolybdate(VI)","IUCrData","2024","9","5","","","10.1107/S2414314624004632","","x-ray","1.54184","CuKα","","0.0507","0.0452","","","0.1153","0.1194","","","","","","1.024","","","","has coordinates,has disorder","292166","2024-06-01","02:26:16",""
"1571769","13.7","0.0006","13.7","0.0006","8.7123","0.0005","90","","90","","90","","1635.21","0.14","170","2","170","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","Tetrakis(2,4,6-trimethylanilido)tin(IV)","","- C36 H48 N4 Sn -","- C36 H48 N4 Sn -","- C72 H96 N8 Sn2 -","2","0.25","WM4214","Lämmer, Christian; Merzweiler, Kurt","Tetrakis(2,4,6-trimethylanilido)tin(IV)","IUCrData","2024","9","5","","","10.1107/S2414314624004796","","","0.71073","MoKα","","0.0242","0.0224","","","0.0558","0.057","","","","","","1.069","","","","has coordinates","292167","2024-06-01","02:26:32",""
"1571770","32.311","0.0013","11.2344","0.0005","22.7693","0.0009","90","","119.706","0.001","90","","7178.9","0.5","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C44 H32 N6 -","- C44 H32 N6 -","- C352 H256 N48 -","8","1","","Wu, Yujie; Zhang, Jiasen; Li, Deli; Du, Songyu; Mu, Xilin; Liu, Chunyu; Fang, Kaibo; Feng, Tingting; Wang, Tao; Li, Wei; Ge, Ziyi","Optimizing the energy level alignment for achieving record-breaking efficiency in hot exciton deep red OLEDs.","Materials horizons","2024","11","16","3928","3934","10.1039/d4mh00441h","","","0.71073","MoKα","","0.0961","0.0545","","","0.1248","0.1468","","","","","","1.027","","","","has coordinates","294646","2024-09-06","02:10:34",""
"1571771","8.9279","0.0004","10.6851","0.0004","35.7149","0.0014","90","","94.171","0.001","90","","3398","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H32 N6 -","- C44 H32 N6 -","- C176 H128 N24 -","4","1","","Wu, Yujie; Zhang, Jiasen; Li, Deli; Du, Songyu; Mu, Xilin; Liu, Chunyu; Fang, Kaibo; Feng, Tingting; Wang, Tao; Li, Wei; Ge, Ziyi","Optimizing the energy level alignment for achieving record-breaking efficiency in hot exciton deep red OLEDs.","Materials horizons","2024","11","16","3928","3934","10.1039/d4mh00441h","","","0.71073","MoKα","","0.1136","0.0602","","","0.129","0.1566","","","","","","1.047","","","","has coordinates","294646","2024-09-06","02:10:35",""
"1571772","15.311","0.004","23.948","0.006","7.27","0.02","90","","90","","90","","2666","7","293","","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","ET(1)*6H2O","4-(2,4,6-triphenylpyridinium-1-yl)-phenolate hexahydrate","","- C29 H21 N O7 -","- C29 H21 N O7 -","- C116 H84 N4 O28 -","4","0.5","LT5066","Sobczak, Szymon; Katrusiak, Andrzej","Structural insight into piezo-solvatochromism of Reichardt's dye.","IUCrJ","2024","11","4","","","10.1107/S2052252524004603","","","0.71073","MoKα","","0.2641","0.1369","","","0.3215","0.3781","","","","","","1.276","","","","has coordinates","292200","2024-06-05","02:20:32",""
"1571773","10.4704","0.0011","19.8","0.03","13.3135","0.0015","90","","95.819","0.009","90","","2746","4","293","2","293","2","","","570000","","","","","4","P 1 21/n 1","-P 2yn","14","ET(1)*4CH3OH","4-(2,4,6-triphenylpyridinium-1-yl)-phenolate tetramethanol solvate","","- C33 H37 N O5 -","- C33 H37 N O5 -","- C132 H148 N4 O20 -","4","1","","Sobczak, Szymon; Katrusiak, Andrzej","Structural insight into piezo-solvatochromism of Reichardt's dye.","IUCrJ","2024","11","4","","","10.1107/S2052252524004603","","","0.71073","MoKα","","0.1681","0.0857","","","0.2285","0.2956","","","","","","1.035","","","","has coordinates","292200","2024-06-05","02:20:33",""
"1571774","10.425","0.003","19.26","0.07","13.112","0.004","90","","95.7","0.03","90","","2620","10","293","2","293","2","","","1170000","","","","","4","P 1 21/n 1","-P 2yn","14","ET(1)*4CH3OH","4-(2,4,6-triphenylpyridinium-1-yl)-phenolate tetramethanol solvate","","- C33 H37 N O5 -","- C33 H37 N O5 -","- C132 H148 N4 O20 -","4","1","","Sobczak, Szymon; Katrusiak, Andrzej","Structural insight into piezo-solvatochromism of Reichardt's dye.","IUCrJ","2024","11","4","","","10.1107/S2052252524004603","","","0.71073","MoKα","","0.2272","0.0795","","","0.1889","0.2803","","","","","","1.023","","","","has coordinates","292200","2024-06-05","02:20:34",""
"1571775","24.062","0.009","24.062","0.009","31.259","0.008","90","","90","","120","","15674","9","293","2","293","","","","240000","","","","","4","R 3 c :H","R 3 -2""c","161","ET(1)*4C2H5OH*H2O","4-(2,4,6-triphenylpyridinium-1-yl)-phenolate ethanol solvate","","- C37 H45 N O6 -","- C37 H45 N O5.99997 -","- C666 H810 N18 O107.999 -","18","1","","Sobczak, Szymon; Katrusiak, Andrzej","Structural insight into piezo-solvatochromism of Reichardt's dye.","IUCrJ","2024","11","4","","","10.1107/S2052252524004603","","","0.71073","MoKα","","0.3773","0.121","","","0.3073","0.4585","","","","","","0.974","","","","has coordinates","292200","2024-06-05","02:20:34",""
"1571776","23.645","0.008","23.645","0.008","30.91","0.02","90","","90","","120","","14966","12","293","","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","ET(1)*4C2H5OH*H2O","4-(2,4,6-triphenylpyridinium-1-yl)-phenolate ethanol solvate","","- C37 H45 N O6 -","- C37 H45 N O5.99997 -","- C666 H810 N18 O107.999 -","18","1","","Sobczak, Szymon; Katrusiak, Andrzej","Structural insight into piezo-solvatochromism of Reichardt's dye.","IUCrJ","2024","11","4","","","10.1107/S2052252524004603","","","0.71073","MoKα","","0.3771","0.1248","","","0.2723","0.4036","","","","","","0.952","","","","has coordinates","292200","2024-06-05","02:20:35",""
"1571777","11.2451","0.0014","14.4734","0.0017","15.232","0.002","90","","103.485","0.004","90","","2410.7","0.5","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[[{μ~2~-5-[(dimethylamino)(thioxo)methoxy]benzene-1,3-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^}(μ~2-~4,4'-dipyridylamine-κ^2^<i>N</i>^4^:<i>N</i>^4'^)cobalt(II)] dimethylformamide hemisolvate monohydrate]","","- C22.5 H23.5 Co N4.5 O6.5 S -","- C22.5 H23.5 Co N4.5 O6.5 S -","- C90 H94 Co4 N18 O26 S4 -","4","1","WM4212","Qin, Hui-Yu; Zhang, Bing-Guang; Sun, Qiao-Zhen","Poly[[{μ2-5-[(dimethylamino)(thioxo)methoxy]benzene-1,3-dicarboxylato-κ4 O 1,O 1′:O 3,O 3′}(μ2-4,4′-dipyridylamine-κ2 N 4:N 4′)cobalt(II)] dimethylformamide hemisolvate monohydrate]","IUCrData","2024","9","6","","","10.1107/S2414314624004899","","","0.71073","MoKα","","0.0898","0.0531","","","0.129","0.1495","","","","","","1.036","","","","has coordinates,has disorder","292201","2024-06-05","02:22:06",""
"1571778","30.247","0.004","13.713","0.002","17.205","0.002","90","","90","","90","","7136.2","1.6","101.15","","101.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","(2,5-Dimethylimidazole){<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-[porphyrin-5,10,15,20-tetrayltetra(2,1-phenylene)]tetrakis(pyridine-3-carboxamide)}manganese(II) chlorobenzene disolvate","","- C85 H62 Cl2 Mn N14 O4 -","- C85 H62 Cl2 Mn N14 O4 -","- C340 H248 Cl8 Mn4 N56 O16 -","4","1","HB4469","Yang, Jun; Zhang, Cuijuan; Chu, Jiaxiang","(2,5-Dimethylimidazole){N,N′,N′′,N′′′-[porphyrin-5,10,15,20-tetrayltetra(2,1-phenylene)]tetrakis(pyridine-3-carboxamide)}manganese(II) chlorobenzene disolvate","IUCrData","2024","9","6","","","10.1107/S2414314624004978","","","0.71073","MoKα","","0.1065","0.0804","","","0.2106","0.2401","","","","","","1.063","","","","has coordinates","292202","2024-06-05","02:22:29",""
"1571779","23.1771","0.0019","12.7959","0.001","22.5404","0.0016","90","","100.332","0.003","90","","6576.5","0.9","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Chlorido[5,10,15,20-tetrakis(quinoline-7-carboxamido)porphinato]iron(III)","","- C84 H52 Cl Fe N12 O4 -","- C84 H52 Cl Fe N12 O4 -","- C336 H208 Cl4 Fe4 N48 O16 -","4","0.5","HB4470","Yang, Jun; Zhang, Cuijuan; Chu, Jiaxiang","Chlorido[5,10,15,20-tetrakis(quinoline-7-carboxamido)porphinato]iron(III)","IUCrData","2024","9","6","","","10.1107/S2414314624004966","","","0.71073","MoKα","","0.0422","0.0352","","","0.0819","0.0877","","","","","","1.074","","","","has coordinates","292203","2024-06-05","02:22:53",""
"1571780","15.244","0.01","18.456","0.012","18.809","0.007","74.97","0.04","82.45","0.04","88.26","0.05","5066","5","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C110 H136 Au2 Cu6 P2 S6 -","- C110 H136 Au2 Cu6 P2 S6 -","- C220 H272 Au4 Cu12 P4 S12 -","2","1","","Zhang, Di; Pan, Peiyao; Du, Xiaoqin; Kang, Xi; Zhu, Manzhou","Rethinking the stability of metal nanoclusters: the individual <i>versus</i> the collective.","Nanoscale","2024","16","24","11513","11517","10.1039/d4nr01748j","","x-ray","1.54186","CuKα","","0.0658","0.0483","","","0.1164","0.1219","","","","","","0.948","","","","has coordinates","293175","2024-07-05","17:27:20",""
"1571781","21.0039","0.0006","21.0039","0.0006","18.0081","0.0006","90","","90","","120","","6880.2","0.4","120","","120","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C96 H120 Au2 Cu6 P2 S6 -","- C96 H120 Au2 Cu6 P2 S6 -","- C288 H360 Au6 Cu18 P6 S18 -","3","0.166667","","Zhang, Di; Pan, Peiyao; Du, Xiaoqin; Kang, Xi; Zhu, Manzhou","Rethinking the stability of metal nanoclusters: the individual <i>versus</i> the collective.","Nanoscale","2024","16","24","11513","11517","10.1039/d4nr01748j","","x-ray","1.54186","CuKα","","0.0419","0.0386","","","0.1064","0.126","","","","","","1.153","","","","has coordinates","293175","2024-07-05","17:27:21",""
"1571782","20.5977","0.0014","21.1986","0.0013","25.5465","0.0017","66.348","0.002","88.655","0.002","87.214","0.002","10205.5","1.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 Co2 Dy8 K18 Na5 Nb64 O322 P8 -","- C16 Co2 Dy8 K18 Na5 Nb64 O322 P8 -","- C16 Co2 Dy8 K18 Na5 Nb64 O322 P8 -","1","0.5","","Fan, Jin-Ai; Yu, Hao; Lin, Yu-Diao; Qi, Ming-Qiang; Kong, Xiang-Jian; Sun, Cai; Zheng, Shou-Tian","An organophosphate 3d-4f heterometallic polyoxoniobate nanowire.","Nanoscale","2024","16","26","12420","12423","10.1039/d4nr01619j","","","0.71073","MoKα","","0.0584","0.0479","","","0.1329","0.1389","","","","","","1.045","","","","has coordinates","293179","2024-07-05","17:30:04",""
"1571783","19.3505","0.0003","19.3505","0.0003","21.7466","0.0005","90","","90","","90","","8142.8","0.3","193","","193","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C96 H108 N4 Pt Si4 -","- C96 H108 N4 Pt Si4 -","- C384 H432 N16 Pt4 Si16 -","4","0.25","","Qu, Chulin; Gong, Xinxin; Sun, Yufen; Gao, Hu; Cai, Fangjian; Zhao, Yue; Wu, Fan; Shen, Zhen","Synergistic <i>meso</i>-β regulation of porphyrins: squeezing the band gap into the near-infrared I/II region.","Chemical science","2024","15","27","10491","10498","10.1039/d4sc01806k","","x-ray","1.34139","GaKα","","0.0236","0.0207","","","0.0534","0.0546","","","","","","1.054","","","","has coordinates","293757","2024-08-05","18:03:02",""
"1571784","16.041","0.001","17.7484","0.0011","19.0998","0.0012","107.001","0.003","106.988","0.003","94.445","0.003","4893.7","0.5","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C104 H128 Cl N5 Si4 Zn -","- C104 H128 Cl N5 Si4 Zn -","- C208 H256 Cl2 N10 Si8 Zn2 -","2","1","","Qu, Chulin; Gong, Xinxin; Sun, Yufen; Gao, Hu; Cai, Fangjian; Zhao, Yue; Wu, Fan; Shen, Zhen","Synergistic <i>meso</i>-β regulation of porphyrins: squeezing the band gap into the near-infrared I/II region.","Chemical science","2024","15","27","10491","10498","10.1039/d4sc01806k","","x-ray","1.34139","GaKα","","0.1918","0.1177","","","0.2874","0.3321","","","","","","1.051","","","","has coordinates,has disorder","293757","2024-08-05","18:03:03",""
"1571785","9.4163","0.0004","10.5452","0.0005","10.6006","0.0005","76.484","0.004","77.312","0.004","76.71","0.004","980.61","0.08","123","","123.15","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H56 Br2 O2 S2 Si2 -","- C34 H56 Br2 O2 S2 Si2 -","- C34 H56 Br2 O2 S2 Si2 -","1","0.5","","Tani, Yosuke; Miyata, Kiyoshi; Ou, Erika; Oshima, Yuya; Komura, Mao; Terasaki, Morihisa; Kimura, Shuji; Ehara, Takumi; Kubo, Koki; Onda, Ken; Ogawa, Takuji","Fast, efficient, narrowband room-temperature phosphorescence from metal-free 1,2-diketones: rational design and the mechanism.","Chemical science","2024","15","28","10784","10793","10.1039/d4sc02841d","","x-ray","0.71073","MoKα","","0.0292","0.0254","","","0.0648","0.0667","","","","","","1.024","","","","has coordinates,has disorder","293746","2024-08-05","17:58:45",""
"1571786","9.5389","0.0012","28.047","0.004","16.886","0.002","90","","99.148","0.004","90","","4460.2","1","123","2","123","2","","","","","","","","2","C 1 c 1","C -2yc","9","","1,3,7-Tri-tert-butylpyrene","","- C28 H34 -","- C28 H34 -","- C224 H272 -","8","2","","Ohtsuka, Motoo; Ghosh, Koushik; Yim, Jacky C.-H.; Sotome, Hikaru; Okamoto, Tsubasa; Suda, Kayo; Kobori, Yasuhiro; Yokogawa, Daisuke; Miyasaka, Hiroshi; Crudden, Cathleen M.; Nambo, Masakazu","Visible-light-induced direct C-H alkylation of polycyclic aromatic hydrocarbons with alkylsulfones.","Chemical science","2024","15","27","10592","10599","10.1039/d4sc02577f","","","0.71075","MoKα","","0.0854","0.0461","","","0.0861","0.0973","","","","","","0.971","","","","has coordinates","293761","2024-08-05","18:03:56",""
"1571787","10.05628","0.00017","5.8382","0.00012","23.8712","0.0004","90","","100.565","0.0017","90","","1377.73","0.04","173.01","0.1","173.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H12 F2 O2 -","- C18 H12 F2 O2 -","- C72 H48 F8 O8 -","4","2","","Giri, Rahul; Zhilin, Egor; Katayev, Dmitry","Divergent functionalization of alkenes enabled by photoredox activation of CDFA and α-halo carboxylic acids.","Chemical science","2024","15","27","10659","10667","10.1039/d4sc01084a","","x-ray","1.54184","CuKα","","0.0412","0.0386","","","0.1097","0.1114","","","","","","1.065","","","","has coordinates,has disorder","293758","2024-08-05","18:03:13",""
"1571788","14.015","0.003","20.406","0.004","25.223","0.006","90","","90","","90","","7214","3","143","2","143","2","","","","","","","","3","P b c n","-P 2n 2ab","60","P5Ph","Per-phenyl-substituted pillar[5]arene","","- C48.125 H35 Cl1.25 -","- C48.125 H35 Cl1.25 -","- C385 H280 Cl10 -","8","1","","Kaneda, Tomoya; Kato, Kenichi; Ohtani, Shunsuke; Ogoshi, Tomoki","Pillar[5]arenes decorated with six-membered-ring aromatics at all the substitution positions.","Chemical science","2024","15","27","10651","10658","10.1039/d4sc01042f","","","0.71075","MoKα","","0.093","0.087","","","0.1826","0.1863","","","","","","1.191","","","","has coordinates","293759","2024-08-05","18:03:21",""
"1571789","30.8986","0.0017","10.7331","0.0006","22.0999","0.0013","90","","90","","90","","7329.2","0.7","100","2","100.03","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C48 H24 Cl4 -","- C48 H24 Cl4 -","- C384 H192 Cl32 -","8","1","","Jiang, Qing; Tang, Hui; Peng, Yuchen; Hu, Zhenni; Zeng, Wangdong","Helical polycyclic hydrocarbons with open-shell singlet ground states and ambipolar redox behaviors.","Chemical science","2024","15","27","10519","10528","10.1039/d4sc02116a","","","1.54178","CuKα","","0.1275","0.1051","","","0.2838","0.309","","","","","","1.182","","","","has coordinates","293762","2024-08-05","18:05:48",""
"1571790","15.9841","0.0007","17.718","0.0008","23.9712","0.001","92.321","0.003","107.956","0.003","112.455","0.002","5871","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H124 Cl4 K2 O18 -","- C104 H124 Cl4 K2 O18 -","- C208 H248 Cl8 K4 O36 -","2","1","","Jiang, Qing; Tang, Hui; Peng, Yuchen; Hu, Zhenni; Zeng, Wangdong","Helical polycyclic hydrocarbons with open-shell singlet ground states and ambipolar redox behaviors.","Chemical science","2024","15","27","10519","10528","10.1039/d4sc02116a","","","1.54178","CuKα","","0.1146","0.0961","","","0.2608","0.2762","","","","","","1.041","","","","has coordinates","293762","2024-08-05","18:05:49",""
"1571791","22.6813","0.0011","16.1611","0.0011","19.3896","0.0012","90","","108.576","0.004","90","","6737.1","0.7","106","","106","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H44 Cl17.98 O2 Sb2 -","- C64 H44 Cl17.98 O2 Sb2 -","- C256 H176 Cl71.92 O8 Sb8 -","4","0.5","","Jiang, Qing; Tang, Hui; Peng, Yuchen; Hu, Zhenni; Zeng, Wangdong","Helical polycyclic hydrocarbons with open-shell singlet ground states and ambipolar redox behaviors.","Chemical science","2024","15","27","10519","10528","10.1039/d4sc02116a","","","1.54178","CuKα","","0.0401","0.0331","","","0.0743","0.0798","","","","","","1.084","","","","has coordinates,has disorder","293762","2024-08-05","18:05:49",""
"1571792","29.1132","0.0016","11.2694","0.0006","57.979","0.003","90","","90","","90","","19022.2","1.8","100","2","99.99","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C128 H88 Cl7.96 O4 -","- C128 H88 Cl7.961 O4 -","- C1024 H704 Cl63.688 O32 -","8","1","","Jiang, Qing; Tang, Hui; Peng, Yuchen; Hu, Zhenni; Zeng, Wangdong","Helical polycyclic hydrocarbons with open-shell singlet ground states and ambipolar redox behaviors.","Chemical science","2024","15","27","10519","10528","10.1039/d4sc02116a","","","1.54178","CuKα","","0.0473","0.0436","","","0.1117","0.1165","","","","","","1.031","","","","has coordinates","293762","2024-08-05","18:05:49",""
"1571793","9.4752","0.0004","11.6241","0.0003","12.9271","0.0006","90","","111.55","0.005","90","","1324.27","0.1","295.4","0.6","295.4","0.6","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H29 F I N2 P S -","- C25 H29 F I N2 P S -","- C50 H58 F2 I2 N4 P2 S2 -","2","1","","Zhang, Hongkui; Tan, Jian-Ping; Ren, Xiaoyu; Wang, Fan; Zheng, Jia-Yan; He, Jiajia; Feng, Yu; Xu, Zhipeng; Su, Zhishan; Wang, Tianli","Synergistically activating nucleophile strategy enabled organocatalytic asymmetric P-addition of cyclic imines.","Chemical science","2024","15","30","12017","12025","10.1039/d4sc02212b","","x-ray","1.54184","CuKα","","0.0978","0.0957","","","0.2193","0.223","","","","","","1.131","","","","has coordinates","293776","2024-08-05","18:12:13",""
"1571794","9.9178","0.0005","13.3016","0.0008","14.7232","0.0009","68.269","0.002","83.486","0.002","69.787","0.002","1692.94","0.17","280","2","280","","","","","","","","","2","P -1","-P 1","2","","","","- C49 H32 -","- C49 H32 -","- C98 H64 -","2","1","","Li, Qian; Yu, Zhiqian; Liu, Qianhui; Guo, Yusong; Fu, Zhangyi; Yang, Yudong; Bin, Zhengyang; Wu, Di; Lan, Jingbo","Crafting 1,4-diaryl spirobifluorene hosts in OLEDs <i>via</i> interannular C-H arylation: synergistic effects of molecular linearity and orthogonality.","Chemical science","2024","15","27","10547","10555","10.1039/d4sc02178a","","","0.71073","MoKα","","0.1127","0.0603","","","0.1433","0.172","","","","","","1.036","","","","has coordinates","293763","2024-08-05","18:06:02",""
"1571795","10.0916","0.0004","10.7661","0.0004","13.935","0.0005","74.868","0.001","84.912","0.001","78.065","0.002","1428.94","0.09","150","2","150","","","","","","","","","2","P -1","-P 1","2","","","","- C43 H28 -","- C43 H28 -","- C86 H56 -","2","1","","Li, Qian; Yu, Zhiqian; Liu, Qianhui; Guo, Yusong; Fu, Zhangyi; Yang, Yudong; Bin, Zhengyang; Wu, Di; Lan, Jingbo","Crafting 1,4-diaryl spirobifluorene hosts in OLEDs <i>via</i> interannular C-H arylation: synergistic effects of molecular linearity and orthogonality.","Chemical science","2024","15","27","10547","10555","10.1039/d4sc02178a","","","0.71073","MoKα","","0.0632","0.0453","","","0.1029","0.1147","","","","","","1.026","","","","has coordinates","293763","2024-08-05","18:06:03",""
"1571796","10.5749","0.0004","12.4865","0.0005","12.8313","0.0005","90.401","0.001","90.147","0.001","99.575","0.001","1670.63","0.11","302","2","302","","","","","","","","","2","P -1","-P 1","2","","","","- C49 H32 -","- C49 H32 -","- C98 H64 -","2","1","","Li, Qian; Yu, Zhiqian; Liu, Qianhui; Guo, Yusong; Fu, Zhangyi; Yang, Yudong; Bin, Zhengyang; Wu, Di; Lan, Jingbo","Crafting 1,4-diaryl spirobifluorene hosts in OLEDs <i>via</i> interannular C-H arylation: synergistic effects of molecular linearity and orthogonality.","Chemical science","2024","15","27","10547","10555","10.1039/d4sc02178a","","","0.71073","MoKα","","0.1014","0.0582","","","0.1395","0.1653","","","","","","1.023","","","","has coordinates","293763","2024-08-05","18:06:03",""
"1571797","9.431","0.003","11.607","0.003","13.247","0.004","87.189","0.009","78.325","0.009","74.102","0.01","1365.7","0.7","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 I N O3 S -","- C32 H30 I N O3 S -","- C64 H60 I2 N2 O6 S2 -","2","1","","Liu, Yang; Gong, Xiao-Ting; Wang, Kang-Nan; He, Simeng; Wang, Yumeng; Lin, Qiaowen; Liu, Zhiqiang; Yu, Xiaoqiang; Liu, Bin","Dual-targeted fluorescent probe for tracking polarity and phase transition processes during lipophagy.","Materials horizons","2024","11","14","3287","3297","10.1039/d4mh00190g","","","1.54178","CuKα","","0.0325","0.0317","","","0.0865","0.0871","","","","","","1.043","","","","has coordinates,has disorder","293947","2024-08-05","20:09:58",""
"1571798","10.7069","0.0007","16.7483","0.0006","31.0611","0.0012","90","","91.717","0.004","90","","5567.4","0.5","99.9","0.5","99.9","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C63 H59 Cl4 N9 -","- C63 H59 Cl4 N9 -","- C252 H236 Cl16 N36 -","4","1","","Liu, Yang; Xu, Ling; Jin, Xiaorong; Yin, Bangshao; Rao, Yutao; Zhou, Mingbo; Song, Jianxin; Osuka, Atsuhiro","The unprecedented strong paratropic ring current of a bis-Pd<sup>II</sup> complex of 5,10,23-trimesityl [28]heptaphyrin(1.1.0.0.1.0.0).","Chemical science","2024","15","29","11402","11407","10.1039/d4sc01909a","","x-ray","1.54184","CuKα","","0.0916","0.0729","","","0.1843","0.1975","","","","","","1.063","","","","has coordinates","293737","2024-08-05","17:56:14",""
"1571799","11.9268","0.0003","27.7816","0.0009","16.3663","0.0005","90","","105.272","0.003","90","","5231.4","0.3","100","0.9","100","0.9","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C116 H100 B2 F4 N14 -","- C116 H100 B2 F4 N14 -","- C232 H200 B4 F8 N28 -","2","1","","Liu, Yang; Xu, Ling; Jin, Xiaorong; Yin, Bangshao; Rao, Yutao; Zhou, Mingbo; Song, Jianxin; Osuka, Atsuhiro","The unprecedented strong paratropic ring current of a bis-Pd<sup>II</sup> complex of 5,10,23-trimesityl [28]heptaphyrin(1.1.0.0.1.0.0).","Chemical science","2024","15","29","11402","11407","10.1039/d4sc01909a","","x-ray","1.54184","CuKα","","0.0894","0.0656","","","0.1563","0.1724","","","","","","1.023","","","","has coordinates","293737","2024-08-05","17:56:15",""
"1571800","14.5782","0.0003","19.0441","0.0004","16.8698","0.0005","90","","90","","90","","4683.5","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C58 H48 Cl N7 Pd2 -","- C58 H47 Cl N7 Pd2 -","- C232 H188 Cl4 N28 Pd8 -","4","0.5","","Liu, Yang; Xu, Ling; Jin, Xiaorong; Yin, Bangshao; Rao, Yutao; Zhou, Mingbo; Song, Jianxin; Osuka, Atsuhiro","The unprecedented strong paratropic ring current of a bis-Pd<sup>II</sup> complex of 5,10,23-trimesityl [28]heptaphyrin(1.1.0.0.1.0.0).","Chemical science","2024","15","29","11402","11407","10.1039/d4sc01909a","","x-ray","1.54184","CuKα","","0.0592","0.0549","","","0.1348","0.1376","","","","","","1.102","","","","has coordinates,has disorder","293737","2024-08-05","17:56:15",""
"1571801","5.8945","0.0012","7.7498","0.0014","20.085","0.004","90","","91.072","0.015","90","","917.3","0.3","294.85","","294.85","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C H -","- C1.01961 H0.862745 -","- C52 H44 -","51","12.75","","Zhou, Shuang; Qiu, Tianyu; Wang, He; Tang, Boyan; Su, Yang; Nan, Tianhao; Dong, Junchao; Wang, Zihao; Liu, Dongtao; Zhu, Guangshan","Flexible porous organic polymers constructed using C(sp<sup>3</sup>)-C(sp<sup>3</sup>) coupling reactions and their high methane-storage capacity.","Chemical science","2024","15","28","10830","10837","10.1039/d4sc01289e","","x-ray","1.54178","CuKα","K-L~3~","0.1908","0.1442","","","0.4252","0.4511","","","","","","1.085","","","","has coordinates","293751","2024-08-05","18:00:14",""
"1571802","19.662","0.0013","23.7645","0.0017","19.8456","0.0014","90","","113.508","0.002","90","","8503.4","1","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H52.5 N13 O10.5 Pd S2 -","- C56 H52.5 N13 O10.3333 Pd S2 -","- C224 H210 N51.9998 O41.3332 Pd4 S8 -","4","2","","Montà-González, Giovanni; Bastante-Rodríguez, David; García-Fernández, Alba; Lusby, Paul J.; Martínez-Máñez, Ramón; Martí-Centelles, Vicente","Comparing organic and metallo-organic hydrazone molecular cages as potential carriers for doxorubicin delivery","Chemical Science","2024","15","26","10010","10017","10.1039/D4SC02294G","","","0.71073","MoKα","","0.0628","0.0449","","","0.1073","0.1162","","","","","","1.037","","","","has coordinates,has disorder","292881","2024-07-05","14:15:09",""
"1571803","20.4033","0.0009","7.8689","0.0003","25.4607","0.0012","90","","91.45","0.002","90","","4086.4","0.3","170","2","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H74 F6 N4 O6 S6 -","- C84 H74 F6 N4 O6 S6 -","- C168 H148 F12 N8 O12 S12 -","2","0.5","","Ye, Shounuan; Chen, Tianyi; Yu, Jinyang; Wang, Shanlu; Li, Shuixing; Wang, Jingxi; Fu, Yuang; Zhu, Yuxuan; Wang, Mengting; Lu, Xinhui; Ma, Zaifei; Li, Chang-Zhi; Shi, Minmin; Chen, Hongzheng","Enhanced crystal network and charge transfer of non-fused ring electron acceptors via interchain interaction for efficient and stable organic solar cells","Energy & Environmental Science","2024","17","14","5137","5146","10.1039/D4EE02027H","","","1.54178","CuKα","","0.0877","0.0821","","","0.2414","0.2464","","","","","","1.05","","","","has coordinates,has disorder","293876","2024-08-05","19:35:23",""
"1571804","15.606","0.003","16.678","0.003","18.394","0.003","63.176","0.011","69.39","0.014","69.98","0.015","3901.2","1.3","170","2","170.15","","","","","","","","","6","P -1","-P 1","2","","","","- C86 H80 F4 N4 O6 S6 -","- C86 H80 F4 N4 O6 S6 -","- C172 H160 F8 N8 O12 S12 -","2","1","","Ye, Shounuan; Chen, Tianyi; Yu, Jinyang; Wang, Shanlu; Li, Shuixing; Wang, Jingxi; Fu, Yuang; Zhu, Yuxuan; Wang, Mengting; Lu, Xinhui; Ma, Zaifei; Li, Chang-Zhi; Shi, Minmin; Chen, Hongzheng","Enhanced crystal network and charge transfer of non-fused ring electron acceptors via interchain interaction for efficient and stable organic solar cells","Energy & Environmental Science","2024","17","14","5137","5146","10.1039/D4EE02027H","","","1.54178","CuKα","","0.2701","0.18","","","0.413","0.4989","","","","","","1.06","","","","has coordinates","293876","2024-08-05","19:35:25",""
"1571805","15.5739","0.0012","18.8499","0.0015","20.1648","0.0013","98.961","0.005","96.362","0.004","98.914","0.005","5721.3","0.7","170","2","170","","","","","","","","","6","P -1","-P 1","2","","","","- C126 H113 F6 N6 O9 S9 -","- C126 H113 F6 N6 O9 S9 -","- C252 H226 F12 N12 O18 S18 -","2","1","","Ye, Shounuan; Chen, Tianyi; Yu, Jinyang; Wang, Shanlu; Li, Shuixing; Wang, Jingxi; Fu, Yuang; Zhu, Yuxuan; Wang, Mengting; Lu, Xinhui; Ma, Zaifei; Li, Chang-Zhi; Shi, Minmin; Chen, Hongzheng","Enhanced crystal network and charge transfer of non-fused ring electron acceptors via interchain interaction for efficient and stable organic solar cells","Energy & Environmental Science","2024","17","14","5137","5146","10.1039/D4EE02027H","","","1.54178","CuKα","","0.2413","0.1847","","","0.4266","0.4694","","","","","","1.204","","","","has coordinates","293876","2024-08-05","19:35:25",""
"1571806","14.1426","0.0003","12.3103","0.0003","18.8707","0.0003","90","","98.492","0.002","90","","3249.36","0.12","100","","100.15","","","","","","","","","7","P 1 c 1","P -2yc","7","","(4-Butyl-1-ethyl-1,2,4-triazol-5-ylidene)[(1,2,5,6-η)-cycloocta-1,5-diene](triphenylphosphane)iridium(I) tetrafluoridoborate","","- C34 H42 B F4 Ir N3 P -","- C34 H42 B F4 Ir N3 P -","- C136 H168 B4 F16 Ir4 N12 P4 -","4","2","HB4475","Lerch, Timothy G.; Gau, Michael; Albert, Daniel R.; Rajaseelan, Edward","(4-Butyl-1-ethyl-1,2,4-triazol-5-ylidene)[(1,2,5,6-η)-cycloocta-1,5-diene](triphenylphosphane)iridium(I) tetrafluoridoborate","IUCrData","2024","9","6","","","10.1107/S2414314624005017","","","0.71073","MoKα","","0.031","0.0272","","","0.065","0.0662","","","","","","1.083","","","","has coordinates,has disorder","292270","2024-06-08","01:58:18",""
"1571807","18.1245","0.0016","11.6689","0.001","26.067","0.002","90","","90.332","0.002","90","","5512.9","0.8","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Triacetonitrile(1,4,7-trimethyl-1,4,7-triazacyclononane)cobalt(II) bis(tetraphenylborate)","","- C63 H70 B2 Co N6 -","- C63 H70 B2 Co N6 -","- C252 H280 B8 Co4 N24 -","4","1","BX4029","Shin, Jeongcheol; Kim, Jin; Choi, Jonghoon","Triacetonitrile(1,4,7-trimethyl-1,4,7-triazacyclononane)cobalt(II) bis(tetraphenylborate)","IUCrData","2024","9","6","","","10.1107/S241431462400539X","","","0.71073","MoKα","","0.0897","0.0562","","","0.0971","0.1069","","","","","","1.142","","","","has coordinates","292295","2024-06-12","02:07:37",""
"1571808","15.2592","0.0002","12.0316","0.0001","18.0659","0.0002","90","","103.902","0.001","90","","3219.61","0.06","250.01","0.1","250.01","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C39 H26 F6 N O Sb -","- C39 H26 F6 N O Sb -","- C156 H104 F24 N4 O4 Sb4 -","4","1","","Zhang, Jingxian; Sun, Tao; Wang, Kangmin; Hu, Ruike; Zhou, Chunlin; Ge, Haibo; Li, Bijin","Rh(iii)-catalyzed building up of used heterocyclic cations: facile access to white-light-emitting materials.","Chemical science","2024","15","31","12270","12276","10.1039/d4sc02188f","","x-ray","1.54184","CuKα","","0.0488","0.0445","","","0.1144","0.119","","","","","","1.046","","","","has coordinates,has disorder","294484","2024-09-05","23:55:45",""
"1571809","10.6003","0.0006","13.7655","0.0007","15.6971","0.0008","79.49","0.002","72.182","0.002","67.933","0.002","2014.97","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H59 N5 O2 Zr -","- C42 H59 N5 O2 Zr -","- C84 H118 N10 O4 Zr2 -","2","1","","Nuñez Bahena, Erick; Hosseini, Kimia; Curto, Sheila Galván; Schafer, Laurel L.","Understanding mechanism driven regioselectivity in zirconium-catalysed hydroaminoalkylation: homoallylic amines from conjugated dienes.","Chemical science","2024","15","27","10571","10576","10.1039/d4sc00636d","","","0.71073","MoKα","","0.0449","0.0324","","","0.0691","0.0736","","","","","","1.012","","","","has coordinates","293760","2024-08-05","18:03:42",""
"1571810","10.4694","0.0007","13.7275","0.001","14.5277","0.0011","96.63","0.002","103.052","0.002","109.933","0.002","1869.4","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H57 N5 O2 Zr -","- C37 H57 N5 O2 Zr -","- C74 H114 N10 O4 Zr2 -","2","1","","Nuñez Bahena, Erick; Hosseini, Kimia; Curto, Sheila Galván; Schafer, Laurel L.","Understanding mechanism driven regioselectivity in zirconium-catalysed hydroaminoalkylation: homoallylic amines from conjugated dienes.","Chemical science","2024","15","27","10571","10576","10.1039/d4sc00636d","","","0.71073","MoKα","","0.052","0.0371","","","0.0871","0.0915","","","","","","1.029","","","","has coordinates","293760","2024-08-05","18:03:44",""
"1571811","34.527","0.004","10.5749","0.0013","27.352","0.003","90","","111.514","0.004","90","","9291","1.9","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H71 N5 O2 Si Zr -","- C46 H71 N5 O2 Si Zr -","- C368 H568 N40 O16 Si8 Zr8 -","8","1","","Nuñez Bahena, Erick; Hosseini, Kimia; Curto, Sheila Galván; Schafer, Laurel L.","Understanding mechanism driven regioselectivity in zirconium-catalysed hydroaminoalkylation: homoallylic amines from conjugated dienes.","Chemical science","2024","15","27","10571","10576","10.1039/d4sc00636d","","","0.71073","MoKα","","0.0551","0.0388","","","0.0823","0.0875","","","","","","1.04","","","","has coordinates","293760","2024-08-05","18:03:44",""
"1571812","4.915","0.003","11.218","0.007","20.402","0.014","90","","90","","90","","1124.9","1.2","285","2","285","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 F5 O -","- C12 H9 F5 O -","- C48 H36 F20 O4 -","4","1","","Luo, Zheng; Zhang, Xiaoyu; Li, Zaiyang; Luo, Meiming; Zeng, Xiaoming","Mild ketyl radical generation and coupling with alkynes enabled by Cr catalysis: stereoselective access to <i>E</i>-exocyclic allyl alcohols.","Chemical science","2024","15","29","11428","11434","10.1039/d4sc02967d","","","0.71073","MoKα","","0.1124","0.0546","","","0.1253","0.1573","","","","","","1.026","","","","has coordinates","293733","2024-08-05","17:54:15",""
"1571813","16.7116","0.0005","31.6354","0.0005","23.446","0.0005","90","","110.465","0.003","90","","11613.1","0.5","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C73 H175 Mn18 N O58 -","- C65 H143 Mn18 N O50 -","- C260 H572 Mn72 N4 O200 -","4","1","","He, Yan; Liu, Yang; Zheng, Huijuan; Xiang, Zhen; Zhou, Zheng; Geng, Fengting; Geng, Longlong; Dikarev, Evgeny V.; Han, Haixiang","From cubane-assembled Mn-oxo clusters to monodispersed manganese oxide colloidal nanocrystals.","Chemical science","2024","15","27","10381","10391","10.1039/d4sc01451k","","","0.71073","MoKα","","0.1447","0.0958","","","0.2399","0.2714","","","","","","1.028","","","","has coordinates,has disorder","293756","2024-08-05","18:02:44",""
"1571814","10.4312","0.0005","13.1605","0.0006","16.2948","0.0008","106.181","0.003","99.194","0.004","90.133","0.004","2118.14","0.18","160","","160","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H96 Mn18 N2 O50 -","- C48 H88 Mn18 N2 O48 -","- C48 H88 Mn18 N2 O48 -","1","0.5","","He, Yan; Liu, Yang; Zheng, Huijuan; Xiang, Zhen; Zhou, Zheng; Geng, Fengting; Geng, Longlong; Dikarev, Evgeny V.; Han, Haixiang","From cubane-assembled Mn-oxo clusters to monodispersed manganese oxide colloidal nanocrystals.","Chemical science","2024","15","27","10381","10391","10.1039/d4sc01451k","","","1.54178","CuKα","","0.1306","0.0707","","","0.182","0.2192","","","","","","0.928","","","","has coordinates","293756","2024-08-05","18:02:44",""
"1571815","8.2893","0.0003","14.163","0.0004","10.0325","0.0003","90","","103.686","0.003","90","","1144.39","0.06","123.15","","123.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H19 Br N6 O -","- C25 H19 Br N6 O -","- C50 H38 Br2 N12 O2 -","2","1","","Guo, Weiwei; Huang, Jianhao; Ishihara, Kazuaki","Chiral π-Cu(ii)-catalyzed site-, <i>exo</i>/<i>endo</i>-, and enantioselective dearomative (3 + 2) cycloadditions of isoquinolinium ylides with enamides, dienamides, and a trienamide.","Chemical science","2024","15","28","10926","10934","10.1039/d4sc02946a","","x-ray","0.71073","MoKα","","0.0265","0.0246","","","0.065","0.0655","","","","","","1.075","","","","has coordinates","293744","2024-08-05","17:58:21",""
"1571816","7.0614","0.0003","10.6993","0.0004","18.6749","0.0008","90","","90","","90","","1410.93","0.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","1","","Wang, Han; Xun, Shan-Shan; Yu, Chang-Bin; Zhou, Yong-Gui","Palladium-catalyzed asymmetric hydrogenation of lactones under base-free conditions.","Chemical science","2024","15","28","11038","11042","10.1039/d4sc01890g","","","1.54178","CuKα","","0.0519","0.0464","","","0.1241","0.1296","","","","","","1.073","","","","has coordinates","293748","2024-08-05","17:59:42",""
"1571817","8.2353","0.0003","9.8484","0.0004","11.7427","0.0005","82.241","0.001","70.296","0.002","66.512","0.001","822.33","0.06","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C38 H36 O8 -","2","1","","Wang, Han; Xun, Shan-Shan; Yu, Chang-Bin; Zhou, Yong-Gui","Palladium-catalyzed asymmetric hydrogenation of lactones under base-free conditions.","Chemical science","2024","15","28","11038","11042","10.1039/d4sc01890g","","","1.54178","CuKα","","0.0505","0.0489","","","0.1336","0.1352","","","","","","1.046","","","","has coordinates","293748","2024-08-05","17:59:42",""
"1571818","23.913","0.002","7.635","0.0007","27.048","0.002","90","","93.244","0.007","90","","4930.4","0.7","100","0.1","100","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","(2',6'dimethoxy-[1,1'-biphenyl]-2-yl)methanol","","- C15 H16 O3 -","- C15 H16 O3 -","- C240 H256 O48 -","16","2","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1524","0.0797","","","0.2118","0.2463","","","","","","1.06","","","","has coordinates","292346","2024-06-13","02:33:06",""
"1571819","78.549","0.01","14.9682","0.0008","41.688","0.003","90","","99.709","0.011","90","","48312","8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C115.57 H79.8 I18 N36 O1.52 Zn9 -","- C115.572 H79.8038 I17.9998 N36 O1.5144 Zn8.9999 -","- C924.576 H638.43 I143.998 N288 O12.1152 Zn71.9992 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","K-L~3~","0.2071","0.1738","","","0.4738","0.5004","","","","","","1.035","","","","has coordinates,has disorder","292346","2024-06-13","02:33:08",""
"1571820","34.3474","0.0009","15.1342","0.0003","29.5974","0.0009","90","","100.42","0.002","90","","15131.6","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc cyclohexane solvate","","- C46.36 H44.73 I6 N12 Zn3 -","- C46.3632 H44.7264 I6 N12 Zn3 -","- C370.906 H357.811 I48 N96 Zn24 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0759","0.0641","","","0.1991","0.2075","","","","","","1.061","","","","has coordinates,has disorder","292346","2024-06-13","02:33:09",""
"1571821","78.299","0.004","14.9565","0.0003","41.6827","0.0016","90","","99.929","0.004","90","","48083","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C127.68 H101.08 I18 N36 O2.2 Zn9 -","- C127.681 H101.082 I17.9998 N36 O2.2029 Zn8.9999 -","- C1021.45 H808.653 I143.998 N288 O17.6232 Zn71.9992 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.2027","0.1602","","","0.4183","0.4444","","","","","","1.042","","","","has coordinates,has disorder","292346","2024-06-13","02:33:10",""
"1571822","34.4506","0.0011","15.0594","0.0004","30.1018","0.0014","90","","100.834","0.004","90","","15338.6","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I5.9996 N12 Zn2.9998 -","- C288 H192 I47.9968 N96 Zn23.9984 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0702","0.0588","","","0.1837","0.1926","","","","","","1.065","","","","has coordinates,has disorder","292346","2024-06-13","02:33:11",""
"1571823","34.1537","0.0011","15.1026","0.0003","29.0899","0.0012","90","","99.542","0.004","90","","14797.2","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I6 N12 Zn3 -","- C288 H192 I48 N96 Zn24 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0862","0.0567","","","0.1605","0.1768","","","","","","0.986","","","","has coordinates,has disorder","292346","2024-06-13","02:33:12",""
"1571824","34.4353","0.0008","15.0604","0.0003","30.1558","0.0014","90","","100.809","0.003","90","","15361.6","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I6.001 N12 Zn3.0005 -","- C288 H192 I48.008 N96 Zn24.004 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0636","0.0502","","","0.1527","0.1617","","","","","","1.071","","","","has coordinates,has disorder","292346","2024-06-13","02:33:12",""
"1571825","78.3675","0.0018","14.9505","0.0002","41.6842","0.0007","90","","99.853","0.002","90","","48118.2","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C117.5 H82.13 I18 N36 O1.9 Zn9 -","- C117.495 H82.128 I18.0002 N36 O1.899 Zn9.0001 -","- C939.96 H657.024 I144.002 N288 O15.192 Zn72.0008 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1937","0.167","","","0.4218","0.4374","","","","","","1.048","","","","has coordinates,has disorder","292346","2024-06-13","02:33:12",""
"1571826","34.4432","0.0011","15.0627","0.0004","30.2136","0.0014","90","","100.996","0.004","90","","15387.3","1","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc cyclohexane solvate","","- C37.73 H27.46 I6 N12 Zn3 -","- C37.731 H27.462 I6 N12 Zn3 -","- C301.848 H219.696 I48 N96 Zn24 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1114","0.0902","","","0.2797","0.297","","","","","","1.047","","","","has coordinates,has disorder","292346","2024-06-13","02:33:12",""
"1571827","78.371","0.002","14.9291","0.0004","41.6991","0.0013","90","","99.869","0.003","90","","48066","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C123.96 H93.85 I18 N36 O2.16 Zn9 -","- C123.958 H93.8476 I18.0004 N36 O2.1576 Zn9.0002 -","- C991.666 H750.781 I144.003 N288 O17.2608 Zn72.0016 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1677","0.132","","","0.372","0.3966","","","","","","1.034","","","","has coordinates,has disorder","292346","2024-06-13","02:33:12",""
"1571828","34.0757","0.0018","15.0947","0.0006","29.186","0.002","90","","99.38","0.006","90","","14811.5","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I5.9998 N12 Zn2.9999 -","- C288 H192 I47.9984 N96 Zn23.9992 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1228","0.0918","","","0.3039","0.3413","","","","","","1.177","","","","has coordinates,has disorder","292346","2024-06-13","02:33:13",""
"1571829","34.3094","0.0009","15.0823","0.0003","29.8583","0.001","90","","100.538","0.003","90","","15190","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I6.0002 N12 Zn3.0001 -","- C288 H192 I48.0016 N96 Zn24.0008 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0763","0.0505","","","0.1443","0.156","","","","","","1.052","","","","has coordinates,has disorder","292346","2024-06-13","02:33:13",""
"1571830","34.3373","0.0011","15.0894","0.0003","29.5872","0.0011","90","","100.291","0.003","90","","15083.4","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc cyclohexane solvate","","- C38.4 H28.81 I6 N12 Zn3 -","- C38.403 H28.806 I5.9984 N12 Zn2.9992 -","- C307.224 H230.448 I47.9872 N96 Zn23.9936 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0917","0.0746","","","0.2339","0.2527","","","","","","1.051","","","","has coordinates,has disorder","292346","2024-06-13","02:33:13",""
"1571831","33.994","0.005","15.064","0.0007","29.295","0.005","90","","99.334","0.015","90","","14803","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I6 N12 Zn3 -","- C288 H192 I48 N96 Zn24 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1738","0.1223","","","0.3725","0.4221","","","","","","1.266","","","","has coordinates,has disorder","292346","2024-06-13","02:33:13",""
"1571832","34.2193","0.0011","15.073","0.0004","29.5041","0.0012","90","","99.979","0.003","90","","14987.6","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I6.0014 N12 Zn3.0007 -","- C288 H192 I48.0112 N96 Zn24.0056 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0745","0.0597","","","0.196","0.2103","","","","","","1.102","","","","has coordinates,has disorder","292346","2024-06-13","02:33:13",""
"1571833","34.3369","0.0012","15.0656","0.0004","29.814","0.0012","90","","100.46","0.003","90","","15166.7","0.9","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I5.9998 N12 Zn2.9999 -","- C288 H192 I47.9984 N96 Zn23.9992 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.08","0.0653","","","0.2153","0.2282","","","","","","1.095","","","","has coordinates,has disorder","292346","2024-06-13","02:33:13",""
"1571834","34.494","0.0013","15.0307","0.0003","30.3347","0.0013","90","","101.054","0.004","90","","15435.8","1","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I5.9996 N12 Zn2.9998 -","- C288 H192 I47.9968 N96 Zn23.9984 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1094","0.0844","","","0.272","0.2947","","","","","","1.093","","","","has coordinates,has disorder","292346","2024-06-13","02:33:13",""
"1571835","34.7075","0.0008","14.9722","0.0003","31.1023","0.0009","90","","102.185","0.002","90","","15798.1","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C38.78 H26.97 I6 N12 O0.56 Zn3 -","- C38.7825 H26.968 I5.9998 N12 O0.5565 Zn2.9999 -","- C310.26 H215.744 I47.9984 N96 O4.452 Zn23.9992 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1126","0.0936","","","0.3026","0.3224","","","","","","1.049","","","","has coordinates,has disorder","292346","2024-06-13","02:33:13",""
"1571836","34.5442","0.0016","15.0184","0.0003","30.549","0.002","90","","101.346","0.005","90","","15539","1.3","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I6 N12 Zn3 -","- C288 H192 I48 N96 Zn24 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1127","0.092","","","0.2865","0.3057","","","","","","1.111","","","","has coordinates,has disorder","292346","2024-06-13","02:33:13",""
"1571837","78.142","0.004","14.9754","0.0002","41.6691","0.0013","90","","99.702","0.004","90","","48064","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C122.39 H90.76 I18 N36 O2.14 Zn9 -","- C122.389 H90.7644 I18.0002 N36 O2.1456 Zn9.0001 -","- C979.109 H726.115 I144.002 N288 O17.1648 Zn72.0008 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","K-L~3~","0.1697","0.1401","","","0.3562","0.3743","","","","","","1.062","","","","has coordinates,has disorder","292346","2024-06-13","02:33:13",""
"1571838","34.4567","0.0017","15.0045","0.0004","30.444","0.002","90","","101.219","0.006","90","","15438.9","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexachloro-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I6 N12 Zn3 -","- C288 H192 I48 N96 Zn24 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1006","0.0791","","","0.2581","0.2769","","","","","","1.085","","","","has coordinates,has disorder","292346","2024-06-13","02:33:13",""
"1571839","34.3531","0.0008","15.0637","0.0004","29.9781","0.0011","90","","100.634","0.003","90","","15246.8","0.8","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexachloro-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I6.0057 N12 Zn3 -","- C288 H192 I48.0456 N96 Zn24 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0826","0.0708","","","0.2214","0.2322","","","","","","1.084","","","","has coordinates,has disorder","292346","2024-06-13","02:33:13",""
"1571840","31.4246","0.0009","14.9857","0.0003","34.4395","0.0009","90","","101.976","0.003","90","","15865.2","0.7","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C78.84 H55.3 I12 N24 O1.37 Zn6 -","- C78.8445 H55.3008 I12 N24 O1.3689 Zn6 -","- C315.378 H221.203 I48 N96 O5.4756 Zn24 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1408","0.0981","","","0.3081","0.3416","","","","","","1.033","","","","has coordinates,has disorder","292346","2024-06-13","02:33:13",""
"1571841","34.458","0.002","15.0078","0.0004","30.486","0.003","90","","101.242","0.007","90","","15463","1.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I5.9998 N12 Zn2.9999 -","- C288 H192 I47.9984 N96 Zn23.9992 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.115","0.0899","","","0.2952","0.3206","","","","","","1.117","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571842","78.5587","0.0018","14.9697","0.0002","41.6779","0.0006","90","","100.259","0.002","90","","48229.6","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C129.97 H101.68 I18 N36 O3.06 Zn9 -","- C129.965 H101.676 I18 N36 O3.0546 Zn9 -","- C1039.72 H813.408 I144 N288 O24.4368 Zn72 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0943","0.07","","","0.2201","0.2396","","","","","","1.045","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571843","78.8715","0.001","14.9502","0.0001","41.6531","0.0004","90","","100.102","0.001","90","","48353.6","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C119.57 H84.34 I18 N36 O2.31 Zn9 -","- C119.572 H84.344 I17.9998 N36 O2.3145 Zn8.9999 -","- C956.58 H674.752 I143.998 N288 O18.516 Zn71.9992 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.112","0.094","","","0.2889","0.3037","","","","","","1.055","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571844","78.606","0.002","14.9668","0.0002","41.6349","0.0006","90","","100.127","0.002","90","","48219.5","1.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C118.5 H83.2 I18 N36 O2.1 Zn9 -","- C118.504 H83.2048 I18 N36 O2.1009 Zn9 -","- C948.036 H665.638 I144 N288 O16.8072 Zn72 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.136","0.1121","","","0.326","0.3451","","","","","","1.053","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571845","77.257","0.006","15.0021","0.0008","41.5124","0.0018","90","","100.342","0.005","90","","47332","5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C122.16 H87.11 I18 N36 O2.83 Zn9 -","- C122.162 H87.1056 I17.9996 N36 O2.8323 Zn8.9998 -","- C977.292 H696.845 I143.997 N288 O22.6584 Zn71.9984 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1928","0.1289","","","0.3878","0.446","","","","","","1.033","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571846","34.5084","0.0012","14.9904","0.0004","31.4216","0.0016","90","","101.916","0.004","90","","15904","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C39.88 H28.14 I6 N12 O0.78 Zn3 -","- C39.8848 H28.1438 I5.9998 N12 O0.777 Zn2.9999 -","- C319.078 H225.15 I47.9984 N96 O6.216 Zn23.9992 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1523","0.1258","","","0.3841","0.406","","","","","","1.073","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571847","34.4933","0.0018","15.028","0.0004","30.223","0.002","90","","101.026","0.006","90","","15377.4","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexachloro-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I5.9998 N12 Zn2.9999 -","- C288 H192 I47.9984 N96 Zn23.9992 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1619","0.139","","","0.4334","0.4599","","","","","","1.119","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571848","31.387","0.002","15.0302","0.0005","34.2836","0.0016","90","","101.803","0.005","90","","15831.4","1.4","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C82.77 H61.36 I12 N24 O1.75 Zn6 -","- C82.77 H61.3556 I12 N24 O1.7538 Zn6 -","- C331.08 H245.422 I48 N96 O7.0152 Zn24 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.2013","0.1782","","","0.4197","0.432","","","","","","1.064","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571849","78.813","0.002","14.9644","0.0003","41.657","0.0009","90","","100.061","0.002","90","","48374.3","1.9","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C118.14 H82.81 I18 N36 O2.03 Zn9 -","- C118.137 H82.8128 I18 N36 O2.0274 Zn9 -","- C945.096 H662.502 I144 N288 O16.2192 Zn72 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1789","0.1424","","","0.414","0.4404","","","","","","1.018","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571850","78.4975","0.0016","14.9701","0.0002","41.6228","0.0006","90","","100.008","0.002","90","","48167.3","1.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C133.79 H110.09 I18 N36 O2.89 Zn9 -","- C133.792 H110.093 I17.9994 N36 O2.8908 Zn8.9997 -","- C1070.33 H880.742 I143.995 N288 O23.1264 Zn71.9976 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1175","0.0931","","","0.2669","0.2849","","","","","","1.081","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571851","34.4145","0.0009","14.9918","0.0003","31.0574","0.001","90","","101.744","0.002","90","","15688.2","0.7","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C39.49 H27.72 I6 N12 O0.7 Zn3 -","- C39.486 H27.7184 I6 N12 O0.6972 Zn3 -","- C315.888 H221.747 I48 N96 O5.5776 Zn24 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1173","0.0933","","","0.3037","0.3307","","","","","","1.063","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571852","77.629","0.003","15.0298","0.0004","41.5537","0.0014","90","","100.445","0.003","90","","47679","3","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C116 H81.63 I18 N36 O1.37 Zn9 -","- C116 H81.6268 I18 N36 O1.3656 Zn9 -","- C927.998 H653.014 I144 N288 O10.9248 Zn72 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.2313","0.1606","","","0.4665","0.527","","","","","","1.017","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571853","78.288","0.006","14.9666","0.0007","41.6314","0.0019","90","","99.913","0.006","90","","48051","5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C115.54 H80.04 I18 N36 O1.51 Zn9 -","- C115.538 H80.04 I17.9998 N36 O1.5075 Zn8.9999 -","- C924.3 H640.32 I143.998 N288 O12.06 Zn71.9992 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.2225","0.1636","","","0.4455","0.4906","","","","","","1.028","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571854","34.4156","0.0009","15.0804","0.0003","30.0607","0.0016","90","","100.709","0.004","90","","15329.8","1","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I6.0004 N12 Zn3.0002 -","- C288 H192 I48.0032 N96 Zn24.0016 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1041","0.0864","","","0.2709","0.289","","","","","","1.087","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571855","31.5433","0.0011","15.0035","0.0003","34.4229","0.0012","90","","101.974","0.003","90","","15936.5","0.9","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C87.42 H68.09 I12 N24 O2.31 Zn6 -","- C87.4212 H68.0876 I11.9996 N24 O2.3046 Zn5.9998 -","- C349.685 H272.35 I47.9984 N96 O9.2184 Zn23.9992 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1299","0.0978","","","0.2843","0.307","","","","","","1.05","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571856","34.48","0.0019","15.0207","0.0004","30.258","0.002","90","","101.076","0.006","90","","15379.1","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I5.9996 N12 Zn2.9998 -","- C288 H192 I47.9968 N96 Zn23.9984 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0866","0.0678","","","0.2252","0.2425","","","","","","1.082","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571857","78.834","0.003","14.969","0.0003","41.7028","0.0012","90","","100.198","0.003","90","","48435","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C143 H124.58 I18 N36 O3.73 Zn9 -","- C143.004 H124.581 I17.9998 N36 O3.7344 Zn8.9999 -","- C1144.03 H996.646 I143.998 N288 O29.8752 Zn71.9992 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1488","0.1201","","","0.34","0.3586","","","","","","1.062","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571858","31.4571","0.0013","14.9918","0.0003","34.361","0.0012","90","","101.834","0.003","90","","15860.2","0.9","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C82.19 H58.83 I12 N24 O2.04 Zn6 -","- C82.194 H58.8326 I11.9978 N24 O2.0388 Zn5.9989 -","- C328.776 H235.33 I47.9912 N96 O8.1552 Zn23.9956 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1477","0.1135","","","0.3243","0.348","","","","","","1.057","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571859","34.561","0.002","14.99","0.0006","31.38","0.003","90","","102.08","0.006","90","","15897","1.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C40.06 H28.33 I6 N12 O0.81 Zn3 -","- C40.062 H28.3328 I5.9998 N12 O0.8124 Zn2.9999 -","- C320.496 H226.662 I47.9984 N96 O6.4992 Zn23.9992 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","K-L~3~","0.1181","0.0964","","","0.3059","0.3264","","","","","","1.067","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571860","31.5355","0.0009","14.9866","0.0004","34.4588","0.0011","90","","101.931","0.003","90","","15933.8","0.8","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C85.04 H63.33 I12 N24 O2.09 Zn6 -","- C85.0449 H64.3276 I12 N24 O2.0919 Zn6 -","- C340.18 H257.31 I48 N96 O8.3676 Zn24 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1456","0.122","","","0.335","0.3509","","","","","","1.075","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571861","31.6699","0.0009","14.978","0.0002","34.5752","0.0009","90","","102.239","0.002","90","","16028","0.7","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C84.39 H63.55 I12 N24 O2 Zn6 -","- C84.3956 H63.5472 I12.0008 N24 O1.998 Zn6.0004 -","- C337.582 H254.189 I48.0032 N96 O7.992 Zn24.0016 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.12","0.0913","","","0.2718","0.2939","","","","","","1.069","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571862","31.5527","0.0006","14.9736","0.0002","34.5612","0.0006","90","","102.244","0.002","90","","15957.3","0.5","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C84.04 H62.85 I12 N24 O1.98 Zn6 -","- C84.045 H62.8444 I12.001 N24 O1.9812 Zn6.0005 -","- C336.18 H251.378 I48.004 N96 O7.9248 Zn24.002 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1047","0.0795","","","0.2493","0.2725","","","","","","1.039","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571863","31.5154","0.001","15.0261","0.0005","34.3648","0.0012","90","","101.863","0.003","90","","15926","0.9","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C84.74 H64.37 I12 N24 O1.95 Zn6 -","- C84.7347 H64.3708 I12 N24 O1.9497 Zn6 -","- C338.939 H257.483 I48 N96 O7.7988 Zn24 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.158","0.1268","","","0.3621","0.3848","","","","","","1.058","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571864","34.581","0.0014","14.9867","0.0003","31.5551","0.0015","90","","102.106","0.004","90","","15989.9","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C40.42 H28.72 I6 N12 O0.88 Zn3 -","- C40.425 H28.72 I6.001 N12 O0.885 Zn3.0005 -","- C323.4 H229.76 I48.008 N96 O7.08 Zn24.004 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1407","0.1233","","","0.3522","0.365","","","","","","1.052","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571865","31.6098","0.0009","15.0289","0.0002","34.3656","0.0008","90","","101.939","0.003","90","","15972.6","0.6","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C94.73 H79.09 I12 N24 O3.08 Zn6 -","- C94.7277 H79.0872 I12 N24 O3.0789 Zn6 -","- C378.911 H316.349 I48 N96 O12.3156 Zn24 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1152","0.0957","","","0.2742","0.2871","","","","","","1.112","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571866","34.412","0.002","15.0303","0.0005","29.994","0.003","90","","100.858","0.007","90","","15235.8","1.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I5.9984 N12 Zn2.9992 -","- C288 H192 I47.9872 N96 Zn23.9936 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1166","0.0899","","","0.3042","0.3336","","","","","","1.105","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571867","31.5448","0.0008","14.9824","0.0002","34.3898","0.0008","90","","102.066","0.002","90","","15894.1","0.6","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C88.38 H69.11 I12 N24 O2.48 Zn6 -","- C88.3755 H69.1604 I12 N24 O2.4837 Zn6 -","- C353.502 H276.642 I48 N96 O9.9348 Zn24 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1024","0.0825","","","0.2556","0.2729","","","","","","1.055","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571868","31.6622","0.0007","15.0003","0.0002","34.4418","0.0008","90","","102.214","0.002","90","","15987.6","0.6","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C82.5 H59.2 I12 N24 O2.1 Zn6 -","- C82.5015 H59.2016 I12 N24 O2.1003 Zn6 -","- C330.006 H236.806 I48 N96 O8.4012 Zn24 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1587","0.1433","","","0.4434","0.4536","","","","","","1.039","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571869","31.4491","0.0006","15.0235","0.0002","34.215","0.0005","90","","101.68","0.002","90","","15831","0.4","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C87.95 H67.9 I12 N24 O2.58 Zn6 -","- C87.9552 H67.8984 I11.9998 N24 O2.574 Zn5.9999 -","- C351.821 H271.594 I47.9992 N96 O10.296 Zn23.9996 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0964","0.0803","","","0.247","0.2602","","","","","","1.045","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571870","31.5672","0.0006","15.0183","0.0002","34.3644","0.0005","90","","102.009","0.002","90","","15935.1","0.5","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C90.62 H72.78 I12 N24 O2.67 Zn6 -","- C90.6174 H72.772 I12 N24 O2.6706 Zn6 -","- C362.47 H291.088 I48 N96 O10.6824 Zn24 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","K-L~3~","0.0931","0.0766","","","0.2403","0.2557","","","","","","1.046","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571871","31.479","0.0008","15.0233","0.0003","34.2503","0.0006","90","","101.732","0.002","90","","15859.2","0.6","100","0.1","100","0.1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C85.35 H63.69 I12 N24 O2.36 Zn6 -","- C85.3548 H63.6916 I12 N24 O2.361 Zn6 -","- C341.419 H254.766 I48 N96 O9.444 Zn24 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1418","0.1149","","","0.3535","0.3774","","","","","","1.016","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571872","31.549","0.0009","15.0248","0.0003","34.3298","0.001","90","","101.853","0.003","90","","15925.9","0.7","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C90.9 H73.02 I12 N24 O2.74 Zn6 -","- C90.9054 H73.0204 I12 N24 O2.7408 Zn6 -","- C363.622 H292.082 I48 N96 O10.9632 Zn24 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1487","0.1239","","","0.3246","0.3421","","","","","","1.061","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571873","31.5077","0.0005","14.9991","0.0001","34.4289","0.0006","90","","102.086","0.001","90","","15910","0.4","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C100.99 H91.97 I12 N24 O2.88 Zn6 -","- C100.985 H92.5388 I12 N24 O2.8779 Zn6 -","- C403.938 H370.155 I48 N96 O11.5116 Zn24 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0848","0.0705","","","0.2089","0.2208","","","","","","1.064","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571874","31.5685","0.0008","15.041","0.0003","34.3133","0.0009","90","","101.955","0.002","90","","15939.3","0.7","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C90.17 H71.8 I12 N24 O2.69 Zn6 -","- C90.1692 H71.7972 I11.9978 N24 O2.6874 Zn5.9989 -","- C360.677 H287.189 I47.9912 N96 O10.7496 Zn23.9956 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1411","0.1219","","","0.3322","0.3445","","","","","","1.091","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571875","34.3804","0.0016","15.0439","0.0005","30.32","0.0017","90","","101.107","0.005","90","","15388.2","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I5.9998 N12 Zn2.9999 -","- C288 H192 I47.9984 N96 Zn23.9992 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1379","0.1191","","","0.3901","0.4189","","","","","","1.116","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571876","31.6878","0.0007","14.9984","0.0003","34.4068","0.0008","90","","102.171","0.002","90","","15984.8","0.6","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C92.12 H75.43 I12 N24 O2.75 Zn6 -","- C92.1198 H75.4268 I12 N24 O2.7456 Zn6 -","- C368.479 H301.707 I48 N96 O10.9824 Zn24 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1037","0.0874","","","0.2576","0.2691","","","","","","1.095","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571877","31.5313","0.0006","15.0299","0.0002","34.2616","0.0005","90","","101.863","0.002","90","","15890.2","0.5","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C88.1 H68.2 I12 N24 O2.57 Zn6 -","- C88.104 H68.2016 I11.9996 N24 O2.5728 Zn5.9998 -","- C352.416 H272.806 I47.9984 N96 O10.2912 Zn23.9992 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0972","0.0797","","","0.2613","0.2796","","","","","","1.035","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571878","31.6222","0.0019","14.9929","0.0006","34.405","0.002","90","","102.192","0.006","90","","15943.8","1.5","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C95.66 H80.05 I12.01 N24 O3.27 Zn6.01 -","- C95.6562 H80.0468 I12 N24 O3.2712 Zn6 -","- C382.625 H320.187 I48 N96 O13.0848 Zn24 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1687","0.1477","","","0.3505","0.3623","","","","","","1.104","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571879","35.2833","0.0005","14.9084","0.0002","31.7352","0.0004","90","","102.721","0.001","90","","16283.5","0.4","100","0.3","100","0.3","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I6 N12 Zn3 -","- C288 H192 I48 N96 Zn24 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0354","0.0323","","","0.0931","0.0946","","","","","","1.098","","","","has coordinates,has disorder","292346","2024-06-13","02:33:16",""
"1571880","35.3636","0.0007","14.9223","0.0002","31.7483","0.0006","90","","102.783","0.002","90","","16338.5","0.5","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I6 N12 Zn3 -","- C288 H192 I48 N96 Zn24 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.053","0.0474","","","0.1466","0.1508","","","","","","1.083","","","","has coordinates,has disorder","292346","2024-06-13","02:33:16",""
"1571881","35.3704","0.0005","14.9099","0.0002","31.7401","0.0004","90","","102.78","0.001","90","","16324.1","0.4","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I6 N12 Zn3 -","- C288 H192 I48 N96 Zn24 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0489","0.0443","","","0.1357","0.1385","","","","","","1.118","","","","has coordinates,has disorder","292346","2024-06-13","02:33:16",""
"1571882","18.8343","0.0003","29.6438","0.0005","32.8648","0.0005","67.924","0.001","74.74","0.001","73.01","0.001","16016.3","0.5","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","phenyl(p-tolyl)methanone (absorbed in crystalline sponge)","","- C252.44 H188.95 I24 N48 O7.74 Zn12 -","- C252.444 H188.952 I24.0002 N48 O7.746 Zn12.0001 -","- C504.888 H377.904 I48.0004 N96 O15.492 Zn24.0002 -","2","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.129","0.1089","","","0.3369","0.3547","","","","","","1.045","","","","has coordinates,has disorder","292346","2024-06-13","02:33:16",""
"1571883","35.2498","0.0004","14.9012","0.0001","31.359","0.0004","90","","102.417","0.001","90","","16086.5","0.3","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","phenyl(p-tolyl)methanone","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I6 N12 Zn3 -","- C288 H192 I48 N96 Zn24 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0362","0.0302","","","0.0925","0.0952","","","","","","1.088","","","","has coordinates,has disorder","292346","2024-06-13","02:33:16",""
"1571884","15.0552","0.0006","18.943","0.0007","30.8258","0.0009","99.996","0.003","93.338","0.003","110.091","0.003","8064.7","0.5","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","phenyl(p-tolyl)methanone (absorbed in crystalline sponge)","","- C95.17 H67.86 I12 N24 O1.65 Zn6 -","- C95.1714 H67.8612 I12 N24 O1.6551 Zn6 -","- C190.343 H135.722 I24 N48 O3.3102 Zn12 -","2","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.2155","0.1831","","","0.5043","0.5273","","","","","","1.031","","","","has coordinates,has disorder","292346","2024-06-13","02:33:16",""
"1571885","11.4614","0.0006","12.9693","0.0005","15.9143","0.0006","101.429","0.003","106.498","0.004","92.924","0.004","2208.7","0.18","293","2","293","2","","","","","","","","5","P 1","P 1","1","Co(II)-RibN2","8","","- C98 H123 Co2 N4 O10 -","- C98 H123 Co2 N4 O10 -","- C98 H123 Co2 N4 O10 -","1","1","","Pandey, Sachchida Nand; Sengupta, Arunava; Bera, Rajib; Ali, Sohel; Yadav, Somnath","A sugar-derived ligand for room temperature aerial oxidation or non-aqueous Markovnikov hydration of styrenes using a preformed or in situ generated Co complex","Catalysis Science & Technology","2024","14","16","4487","4495","10.1039/D4CY00522H","","x-ray","0.71073","MoKα","","0.0499","0.0395","","","0.0893","0.0953","","","","","","1.033","","","","has coordinates","294399","2024-09-05","22:48:40",""
"1571886","9.0877","0.0006","10.7172","0.0012","14.3707","0.0011","90","","90","","90","","1399.6","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Br O -","- C15 H15 Br O -","- C60 H60 Br4 O4 -","4","1","","Zhao, Yankun; Yan, Hongya; Zhang, Yulian; Zhou, Tao; Tian, Mengxing; Zhang, Chongzhou; Yuan, Shan; Qiu, Hanyue; He, Ling; Zhang, Min","Catalytic asymmetric intramolecular propargylation of cyclopropanols to access the cuparane core.","Chemical science","2024","15","28","10963","10968","10.1039/d4sc02504k","","x-ray","0.71073","MoKα","","0.1258","0.0565","","","0.1135","0.142","","","","","","1.016","","","","has coordinates","293752","2024-08-05","18:00:34",""
"1571887","6.6478","0.0003","10.5086","0.0005","26.9042","0.0015","90","","90","","90","","1879.5","0.16","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 O2 -","- C23 H24 O2 -","- C92 H96 O8 -","4","1","","Zhao, Yankun; Yan, Hongya; Zhang, Yulian; Zhou, Tao; Tian, Mengxing; Zhang, Chongzhou; Yuan, Shan; Qiu, Hanyue; He, Ling; Zhang, Min","Catalytic asymmetric intramolecular propargylation of cyclopropanols to access the cuparane core.","Chemical science","2024","15","28","10963","10968","10.1039/d4sc02504k","","x-ray","0.71073","MoKα","","0.08","0.0556","","","0.1219","0.1392","","","","","","1.065","","","","has coordinates","293752","2024-08-05","18:00:34",""
"1571888","6.5199","0.0003","8.9739","0.0005","19.7834","0.001","90","","96.52","0.005","90","","1150.02","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H35 N3 O2 -","- C25 H35 N3 O2 -","- C50 H70 N6 O4 -","2","1","","Zhao, Yankun; Yan, Hongya; Zhang, Yulian; Zhou, Tao; Tian, Mengxing; Zhang, Chongzhou; Yuan, Shan; Qiu, Hanyue; He, Ling; Zhang, Min","Catalytic asymmetric intramolecular propargylation of cyclopropanols to access the cuparane core.","Chemical science","2024","15","28","10963","10968","10.1039/d4sc02504k","","x-ray","0.71073","MoKα","","0.0748","0.0498","","","0.1328","0.1471","","","","","","1.141","","","","has coordinates","293752","2024-08-05","18:00:34",""
"1571889","12.4747","0.0004","6.5828","0.0001","15.4889","0.0004","90","","110.054","0.003","90","","1194.81","0.06","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H28 O4 -","- C29 H28 O4 -","- C58 H56 O8 -","2","1","","Zhao, Yankun; Yan, Hongya; Zhang, Yulian; Zhou, Tao; Tian, Mengxing; Zhang, Chongzhou; Yuan, Shan; Qiu, Hanyue; He, Ling; Zhang, Min","Catalytic asymmetric intramolecular propargylation of cyclopropanols to access the cuparane core.","Chemical science","2024","15","28","10963","10968","10.1039/d4sc02504k","","x-ray","1.54184","CuKα","","0.0387","0.0364","","","0.0964","0.0999","","","","","","1.039","","","","has coordinates","293752","2024-08-05","18:00:34",""
"1571890","11.1934","0.0005","12.5189","0.0006","14.5833","0.0006","98.996","0.002","94.719","0.002","103.136","0.002","1950.79","0.15","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C48 H37 Cl2 N5 O Zn -","- C48 H37 Cl2 N5 O Zn -","- C96 H74 Cl4 N10 O2 Zn2 -","2","1","","Trouvé, Jonathan; Delahaye, Vanessa; Tomasini, Michele; Rajeshwaran, Purushothaman; Roisnel, Thierry; Poater, Albert; Gramage-Doria, Rafael","Repurposing a supramolecular iridium catalyst <i>via</i> secondary Zn⋯O[double bond, length as m-dash]C weak interactions between the ligand and substrate leads to <i>ortho</i>-selective C(sp<sup>2</sup>)-H borylation of benzamides with unusual kinetics.","Chemical science","2024","15","30","11794","11806","10.1039/d4sc01515k","","x-ray","0.71073","MoKα","","0.0462","0.0371","","","0.0915","0.0961","","","","","","1.05","","","","has coordinates","293768","2024-08-05","18:08:06",""
"1571891","6.17394","0.00011","8.78352","0.00019","24.0129","0.0005","90","","91.6839","0.0018","90","","1301.63","0.05","140","0.1","140","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 O2 -","- C14 H22 O2 -","- C56 H88 O8 -","4","1","","Nicolai, Stefano; Waser, Jérôme","Lewis acid catalyzed [4+2] annulation of bicyclobutanes with dienol ethers for the synthesis of bicyclo[4.1.1]octanes.","Chemical science","2024","15","28","10823","10829","10.1039/d4sc02767a","","x-ray","1.54184","CuKα","","0.0448","0.0405","","","0.1068","0.111","","","","","","1.07","","","","has coordinates","293749","2024-08-05","17:59:53",""
"1571892","17.7615","0.0002","6.40467","0.00008","13.86477","0.00015","90","","95.9318","0.0011","90","","1568.76","0.03","140","0.1","140","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 O2 -","- C21 H22 O2 -","- C84 H88 O8 -","4","1","","Nicolai, Stefano; Waser, Jérôme","Lewis acid catalyzed [4+2] annulation of bicyclobutanes with dienol ethers for the synthesis of bicyclo[4.1.1]octanes.","Chemical science","2024","15","28","10823","10829","10.1039/d4sc02767a","","x-ray","1.54184","CuKα","","0.0442","0.0405","","","0.106","0.1104","","","","","","1.042","","","","has coordinates","293749","2024-08-05","17:59:53",""
"1571893","8.11476","0.00018","10.472","0.0002","10.7595","0.0004","67.728","0.003","74.021","0.002","82.9324","0.0019","813.23","0.04","140","0.1","140","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C21 H22 O2 -","- C21 H22 O2 -","- C42 H44 O4 -","2","1","","Nicolai, Stefano; Waser, Jérôme","Lewis acid catalyzed [4+2] annulation of bicyclobutanes with dienol ethers for the synthesis of bicyclo[4.1.1]octanes.","Chemical science","2024","15","28","10823","10829","10.1039/d4sc02767a","","x-ray","1.54184","CuKα","","0.0455","0.0409","","","0.1107","0.114","","","","","","1.07","","","","has coordinates","293749","2024-08-05","17:59:53",""
"1571894","13.6691","0.0002","14.5906","0.0002","17.0239","0.0002","67.9371","0.0013","68.7098","0.0013","89.8358","0.0011","2896.62","0.08","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C98 H83 N O28 P4 S12 Si W12 -","- C98 H83 N O28 P4 S12 Si W12 -","- C98 H83 N O28 P4 S12 Si W12 -","1","1","","Yonesato, Kentaro; Yamaguchi, Kazuya; Suzuki, Kosuke","Synthesis of polyoxothiometalates through site-selective post-editing sulfurization of polyoxometalates.","Chemical science","2024","15","29","11267","11271","10.1039/d4sc02912g","","x-ray","0.4142","synchrotron","","0.0248","0.0245","","","0.0684","0.0686","","","","","","1.04","","","","has coordinates,has disorder","293728","2024-08-05","17:52:27",""
"1571895","8.2197","0.0002","9.7011","0.0002","11.5746","0.0002","113.735","0.002","92.388","0.002","99.774","0.002","826.42","0.03","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N2 O5 S2 -","- C16 H18 N2 O5 S2 -","- C32 H36 N4 O10 S4 -","2","1","","Hua, Yong; Zou, Zhi; Prescimone, Alessandro; Ward, Thomas R.; Mayor, Marcel; Köhler, Valentin","NSPs: chromogenic linkers for fast, selective, and irreversible cysteine modification.","Chemical science","2024","15","28","10997","11004","10.1039/d4sc01710b","","x-ray","1.54186","CuKα","","0.0381","0.0379","","","0.1009","0.101","","","","","","1.085","","","","has coordinates","293745","2024-08-05","17:58:37",""
"1571896","8.878","0.005","11.878","0.008","15.7","0.008","69.02","0.03","75.24","0.03","75.18","0.03","1469.8","1.5","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H98 Fe2 I2 P4 -","- C54 H98 Fe2 I2 P4 -","- C54 H98 Fe2 I2 P4 -","1","0.5","","Zurakowski, Joseph A.; Durfy, Connor S.; Stocek, Noah B.; Fanchini, Giovanni; Drover, Marcus W.","Oxidatively-induced C(sp<sup>3</sup>)-C(sp<sup>3</sup>) bond formation at a tucked-in iron(iii) complex.","Chemical science","2024","15","27","10359","10365","10.1039/d4sc03292f","","","0.71073","MoKα","","0.0524","0.0432","","","0.1106","0.1192","","","","","","1.119","","","","has coordinates","293753","2024-08-05","18:01:12",""
"1571897","12.9873","0.0005","18.8387","0.0007","17.5741","0.0008","90","","90","","90","","4299.7","0.3","269","0.6","269","0.6","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C7 H11 I6 N2 Pb2 -","- C7 H11 I6 N2 Pb2 -","- C56 H88 I48 N16 Pb16 -","8","1","","Fan, Chang-Chun; Liu, Cheng-Dong; Liang, Bei-Dou; Ju, Tong-Yu; Wang, Wei; Jin, Ming-Liang; Chai, Chao-Yang; Zhang, Wen","Chiral three-dimensional organic-inorganic lead iodide hybrid semiconductors.","Chemical science","2024","15","29","11374","11381","10.1039/d4sc00954a","","x-ray","0.71073","MoKα","","0.0361","0.0286","","","0.0593","0.0612","","","","","","0.974","","","","has coordinates","293732","2024-08-05","17:53:58",""
"1571898","12.9493","0.0003","18.7108","0.0005","17.6439","0.0005","90","","90","","90","","4274.97","0.19","239.99","0.1","239.99","0.1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C7 H12 I6 N2 Pb2 -","- C7 H12 I6 N2 Pb2 -","- C56 H96 I48 N16 Pb16 -","8","1","","Fan, Chang-Chun; Liu, Cheng-Dong; Liang, Bei-Dou; Ju, Tong-Yu; Wang, Wei; Jin, Ming-Liang; Chai, Chao-Yang; Zhang, Wen","Chiral three-dimensional organic-inorganic lead iodide hybrid semiconductors.","Chemical science","2024","15","29","11374","11381","10.1039/d4sc00954a","","x-ray","0.71073","MoKα","","0.0578","0.0551","","","0.1602","0.1639","","","","","","1.064","","","","has coordinates","293732","2024-08-05","17:54:01",""
"1571899","12.9621","0.0007","18.7875","0.0013","17.6666","0.0009","90","","90","","90","","4302.3","0.4","298.53","0.1","298.53","0.1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C7 H11 I6 N2 Pb2 -","- C7 H11 I6 N2 Pb2 -","- C56 H88 I48 N16 Pb16 -","8","1","","Fan, Chang-Chun; Liu, Cheng-Dong; Liang, Bei-Dou; Ju, Tong-Yu; Wang, Wei; Jin, Ming-Liang; Chai, Chao-Yang; Zhang, Wen","Chiral three-dimensional organic-inorganic lead iodide hybrid semiconductors.","Chemical science","2024","15","29","11374","11381","10.1039/d4sc00954a","","x-ray","0.71073","MoKα","","0.0791","0.0424","","","0.0952","0.1058","","","","","","1.075","","","","has coordinates,has disorder","293732","2024-08-05","17:54:01",""
"1571900","12.9279","0.0004","18.7521","0.0006","17.66","0.0005","90","","90","","90","","4281.2","0.2","239.97","0.1","239.97","0.1","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C7 H8 I6 N2 Pb2 -","- C7 H8 I6 N2 Pb2 -","- C56 H64 I48 N16 Pb16 -","8","0.5","","Fan, Chang-Chun; Liu, Cheng-Dong; Liang, Bei-Dou; Ju, Tong-Yu; Wang, Wei; Jin, Ming-Liang; Chai, Chao-Yang; Zhang, Wen","Chiral three-dimensional organic-inorganic lead iodide hybrid semiconductors.","Chemical science","2024","15","29","11374","11381","10.1039/d4sc00954a","","x-ray","0.71073","MoKα","","0.0667","0.0561","","","0.152","0.1619","","","","","","1.036","","","","has coordinates","293732","2024-08-05","17:54:01",""
"1571901","12.9972","0.0003","18.8397","0.0007","17.5687","0.0006","90","","90","","90","","4301.9","0.2","267.4","0.4","267.4","0.4","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C7 H12 I6 N2 Pb2 -","- C7 H12 I6 N2 Pb2 -","- C56 H96 I48 N16 Pb16 -","8","1","","Fan, Chang-Chun; Liu, Cheng-Dong; Liang, Bei-Dou; Ju, Tong-Yu; Wang, Wei; Jin, Ming-Liang; Chai, Chao-Yang; Zhang, Wen","Chiral three-dimensional organic-inorganic lead iodide hybrid semiconductors.","Chemical science","2024","15","29","11374","11381","10.1039/d4sc00954a","","x-ray","0.71073","MoKα","","0.0856","0.0681","","","0.1653","0.1807","","","","","","1.005","","","","has coordinates","293732","2024-08-05","17:54:01",""
"1571902","9.4743","0.0007","17.7301","0.0012","6.5088","0.0004","90","","90","","90","","1093.35","0.13","425","0.1","425","0.1","","","","","","","","5","C 2 2 2","C 2 2","21","","","","- C7 H12 I6 N2 Pb2 -","- C7 H12 I6 N2 Pb2 -","- C14 H24 I12 N4 Pb4 -","2","0.25","","Fan, Chang-Chun; Liu, Cheng-Dong; Liang, Bei-Dou; Ju, Tong-Yu; Wang, Wei; Jin, Ming-Liang; Chai, Chao-Yang; Zhang, Wen","Chiral three-dimensional organic-inorganic lead iodide hybrid semiconductors.","Chemical science","2024","15","29","11374","11381","10.1039/d4sc00954a","","x-ray","0.71073","MoKα","","0.0566","0.0414","","","0.1052","0.1096","","","","","","1.107","","","","has coordinates,has disorder","293732","2024-08-05","17:54:01",""
"1571903","9.4786","0.0005","17.7233","0.001","6.5033","0.0004","90","","90","","90","","1092.5","0.11","425","0.3","425","0.3","","","","","","","","5","C 2 2 2","C 2 2","21","","","","- C7 H12 I6 N2 Pb2 -","- C7 H12 I6 N2 Pb2 -","- C14 H24 I12 N4 Pb4 -","2","0.25","","Fan, Chang-Chun; Liu, Cheng-Dong; Liang, Bei-Dou; Ju, Tong-Yu; Wang, Wei; Jin, Ming-Liang; Chai, Chao-Yang; Zhang, Wen","Chiral three-dimensional organic-inorganic lead iodide hybrid semiconductors.","Chemical science","2024","15","29","11374","11381","10.1039/d4sc00954a","","x-ray","0.71073","MoKα","","0.0557","0.0327","","","0.0723","0.077","","","","","","1.059","","","","has coordinates,has disorder","293732","2024-08-05","17:54:01",""
"1571904","12.9335","0.0006","18.7349","0.0008","17.6358","0.0008","90","","90","","90","","4273.3","0.3","245.03","0.1","245.03","0.1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C7 H12 I6 N2 Pb2 -","- C7 H12 I6 N2 Pb2 -","- C56 H96 I48 N16 Pb16 -","8","1","","Fan, Chang-Chun; Liu, Cheng-Dong; Liang, Bei-Dou; Ju, Tong-Yu; Wang, Wei; Jin, Ming-Liang; Chai, Chao-Yang; Zhang, Wen","Chiral three-dimensional organic-inorganic lead iodide hybrid semiconductors.","Chemical science","2024","15","29","11374","11381","10.1039/d4sc00954a","","x-ray","0.71073","MoKα","","0.09","0.0684","","","0.1748","0.1865","","","","","","1.021","","","","has coordinates","293732","2024-08-05","17:54:01",""
"1571905","12.9548","0.0006","18.8648","0.0009","17.6101","0.0007","90","","90","","90","","4303.7","0.3","299.13","0.1","299.13","0.1","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C7 H12 I6 N2 Pb2 -","- C7 H12 I6 N2 Pb2 -","- C56 H96 I48 N16 Pb16 -","8","0.5","","Fan, Chang-Chun; Liu, Cheng-Dong; Liang, Bei-Dou; Ju, Tong-Yu; Wang, Wei; Jin, Ming-Liang; Chai, Chao-Yang; Zhang, Wen","Chiral three-dimensional organic-inorganic lead iodide hybrid semiconductors.","Chemical science","2024","15","29","11374","11381","10.1039/d4sc00954a","","x-ray","0.71073","MoKα","","0.0762","0.0517","","","0.1058","0.1151","","","","","","1.054","","","","has coordinates,has disorder","293732","2024-08-05","17:54:01",""
"1571906","12.9629","0.0003","18.7955","0.0005","17.6714","0.0005","90","","90","","90","","4305.53","0.19","297.98","0.1","297.98","0.1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C7 H12 I6 N2 Pb2 -","- C7 H12 I6 N2 Pb2 -","- C56 H96 I48 N16 Pb16 -","8","1","","Fan, Chang-Chun; Liu, Cheng-Dong; Liang, Bei-Dou; Ju, Tong-Yu; Wang, Wei; Jin, Ming-Liang; Chai, Chao-Yang; Zhang, Wen","Chiral three-dimensional organic-inorganic lead iodide hybrid semiconductors.","Chemical science","2024","15","29","11374","11381","10.1039/d4sc00954a","","x-ray","0.71073","MoKα","","0.0767","0.0488","","","0.1343","0.1492","","","","","","0.991","","","","has coordinates,has disorder","293732","2024-08-05","17:54:01",""
"1571907","4.6313","0.0014","3.395","0.0013","5.0794","0.0013","90","","99.3885","","90","","78.79","0.04","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","CuO","","","- Cu O -","- Cu O -","- Cu4 O4 -","4","0.5","","Pawar, Shweta M.; Patil, Satyajeet S.; Sonawane, Kailas D.; More, Vikramsinh B.; Patil, Pramod S.","Hydrothermally synthesized copper oxide nanoparticles: Rietveld analysis and antimicrobial studies","Surfaces and Interfaces","2024","51","","104598","","10.1016/j.surfin.2024.104598","","","","","","","","","","","","","","","","","","","","","has coordinates","292420","2024-06-15","05:23:16",""
"1571908","11.8687","0.0017","27.971","0.004","21.374","0.003","90","","95.254","0.005","90","","7065.9","1.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H78 Al N6 O3 P -","- C64 H78 Al N6 O3 P -","- C256 H312 Al4 N24 O12 P4 -","4","1","","Kohl, Senta J.; Sigmund, Lukas M.; Schmitt, Manuel; Greb, Lutz","Nitrogen monoxide and calix[4]pyrrolato aluminate: structural constraint enabled NO dimerization.","Chemical science","2024","15","28","10803","10809","10.1039/d4sc02378a","","x-ray","0.71073","MoKα","","0.0953","0.0699","","","0.1782","0.1949","","","","","","1.04","","","","has coordinates","293743","2024-08-05","17:58:06",""
"1571909","12.7974","0.0008","13.9223","0.0008","17.5632","0.001","72.594","0.002","80.317","0.002","63.381","0.002","2667.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H57 Al N5 O P -","- C58 H57 Al N5 O P -","- C116 H114 Al2 N10 O2 P2 -","2","1","","Kohl, Senta J.; Sigmund, Lukas M.; Schmitt, Manuel; Greb, Lutz","Nitrogen monoxide and calix[4]pyrrolato aluminate: structural constraint enabled NO dimerization.","Chemical science","2024","15","28","10803","10809","10.1039/d4sc02378a","","x-ray","0.71073","MoKα","","0.056","0.0424","","","0.1122","0.1225","","","","","","1.029","","","","has coordinates","293743","2024-08-05","17:58:06",""
"1571910","12.1087","0.0005","16.7894","0.0006","23.7857","0.0007","87.462","0.003","85.545","0.004","73.63","0.004","4624.3","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H48 Al F15 N4 P4 W -","- C38 H48 Al F15 N4 P4 W -","- C152 H192 Al4 F60 N16 P16 W4 -","4","2","","Escomel, Léon; Martins, Frederico F.; Vendier, Laure; Coffinet, Anaïs; Queyriaux, Nicolas; Krewald, Vera; Simonneau, Antoine","Coordination of Al(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> <i>vs.</i> B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> on group 6 end-on dinitrogen complexes: chemical and structural divergences.","Chemical science","2024","15","29","11321","11336","10.1039/d4sc02713b","","x-ray","1.54184","CuKα","","0.0753","0.0851","","0.1837","0.1977","0.1837","","","","","","1.0231","","","","has coordinates","293726","2024-08-05","17:52:01",""
"1571911","14.6308","0.0001","15.5072","0.0001","15.9055","0.0002","77.247","0.001","69.209","0.001","85.109","0.001","3290.37","0.06","100","","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H48 Al F15 Mo N4 P4 -","- C70 H48 Al F15 Mo N4 P4 -","- C140 H96 Al2 F30 Mo2 N8 P8 -","2","1","","Escomel, Léon; Martins, Frederico F.; Vendier, Laure; Coffinet, Anaïs; Queyriaux, Nicolas; Krewald, Vera; Simonneau, Antoine","Coordination of Al(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> <i>vs.</i> B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> on group 6 end-on dinitrogen complexes: chemical and structural divergences.","Chemical science","2024","15","29","11321","11336","10.1039/d4sc02713b","","x-ray","1.54184","CuKα","","0.0398","0.0379","","0.1108","0.1091","0.1108","","","","","","0.9765","","","","has coordinates","293726","2024-08-05","17:52:02",""
"1571912","12.0871","0.0004","16.7971","0.0003","23.8312","0.0004","87.584","0.002","85.376","0.003","73.657","0.002","4626.8","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H48 Al F15 Mo N4 P4 -","- C38 H48 Al F15 Mo N4 P4 -","- C152 H192 Al4 F60 Mo4 N16 P16 -","4","2","","Escomel, Léon; Martins, Frederico F.; Vendier, Laure; Coffinet, Anaïs; Queyriaux, Nicolas; Krewald, Vera; Simonneau, Antoine","Coordination of Al(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> <i>vs.</i> B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> on group 6 end-on dinitrogen complexes: chemical and structural divergences.","Chemical science","2024","15","29","11321","11336","10.1039/d4sc02713b","","x-ray","1.54184","CuKα","","0.0928","0.0657","","","0.1659","0.1792","","","","","","1.055","","","","has coordinates","293726","2024-08-05","17:52:02",""
"1571913","13.6036","0.0003","14.8872","0.0002","22.4046","0.0004","85.059","0.0013","73.4254","0.0018","80.3608","0.0015","4283.9","0.14","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C70 H48 Al F15 N4 P4 W -","- C70 H48 Al F15 N4 P4 W -","- C140 H96 Al2 F30 N8 P8 W2 -","2","1","","Escomel, Léon; Martins, Frederico F.; Vendier, Laure; Coffinet, Anaïs; Queyriaux, Nicolas; Krewald, Vera; Simonneau, Antoine","Coordination of Al(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> <i>vs.</i> B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> on group 6 end-on dinitrogen complexes: chemical and structural divergences.","Chemical science","2024","15","29","11321","11336","10.1039/d4sc02713b","","x-ray","1.54184","CuKα","","0.0692","0.0613","","0.1775","0.168","0.1775","","","","","","0.9589","","","","has coordinates","293726","2024-08-05","17:52:02",""
"1571914","20.2615","0.0002","25.2623","0.0002","24.4599","0.0002","90","","98.884","0.001","90","","12369.7","0.19","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H38 Al2 Cr F30 N4 P4 -","- C54 H38 Al2 Cr F30 N4 P4 -","- C432 H304 Al16 Cr8 F240 N32 P32 -","8","2","","Escomel, Léon; Martins, Frederico F.; Vendier, Laure; Coffinet, Anaïs; Queyriaux, Nicolas; Krewald, Vera; Simonneau, Antoine","Coordination of Al(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> <i>vs.</i> B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> on group 6 end-on dinitrogen complexes: chemical and structural divergences.","Chemical science","2024","15","29","11321","11336","10.1039/d4sc02713b","","x-ray","1.54184","CuKα","","0.0925","0.0824","","0.2323","0.2248","0.2323","","","","","","1.0008","","","","has coordinates","293726","2024-08-05","17:52:02",""
"1571915","12.2011","0.0001","24.511","0.0003","25.0556","0.0002","92.068","0.001","99.111","0.001","92.397","0.001","7385.21","0.13","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C68 H60 Al2 F30 Mo N4 P4 -","- C68 H60 Al2 F30 Mo N4 P4 -","- C272 H240 Al8 F120 Mo4 N16 P16 -","4","2","","Escomel, Léon; Martins, Frederico F.; Vendier, Laure; Coffinet, Anaïs; Queyriaux, Nicolas; Krewald, Vera; Simonneau, Antoine","Coordination of Al(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> <i>vs.</i> B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> on group 6 end-on dinitrogen complexes: chemical and structural divergences.","Chemical science","2024","15","29","11321","11336","10.1039/d4sc02713b","","x-ray","1.54184","CuKα","","0.0789","0.0699","","0.1801","0.1731","0.1801","","","","","","1.0137","","","","has coordinates","293726","2024-08-05","17:52:02",""
"1571916","10.01668","0.00016","12.25253","0.00019","17.2703","0.0003","79.313","0.0013","88.9694","0.0013","70.6686","0.0014","1963.23","0.06","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H32 Al Cr F15 N4 P4 -","- C30 H32 Al Cr F15 N4 P4 -","- C60 H64 Al2 Cr2 F30 N8 P8 -","2","1","","Escomel, Léon; Martins, Frederico F.; Vendier, Laure; Coffinet, Anaïs; Queyriaux, Nicolas; Krewald, Vera; Simonneau, Antoine","Coordination of Al(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> <i>vs.</i> B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> on group 6 end-on dinitrogen complexes: chemical and structural divergences.","Chemical science","2024","15","29","11321","11336","10.1039/d4sc02713b","","x-ray","1.54184","CuKα","","0.04","0.0377","","0.1141","0.1118","0.1141","","","","","","0.984","","","","has coordinates","293726","2024-08-05","17:52:02",""
"1571917","12.2122","0.0002","24.4664","0.0003","25.0551","0.0003","92.078","0.001","99.059","0.002","92.541","0.001","7378.43","0.18","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C68 H60 Al2 F30 N4 P4 W -","- C68 H60 Al2 F30 N4 P4 W -","- C272 H240 Al8 F120 N16 P16 W4 -","4","2","","Escomel, Léon; Martins, Frederico F.; Vendier, Laure; Coffinet, Anaïs; Queyriaux, Nicolas; Krewald, Vera; Simonneau, Antoine","Coordination of Al(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> <i>vs.</i> B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> on group 6 end-on dinitrogen complexes: chemical and structural divergences.","Chemical science","2024","15","29","11321","11336","10.1039/d4sc02713b","","x-ray","1.54184","CuKα","","0.0634","0.06","","0.1494","0.1472","0.1494","","","","","","0.9886","","","","has coordinates","293726","2024-08-05","17:52:02",""
"1571918","13.9151","0.0001","14.0458","0.0001","20.9884","0.0001","79.92","","80.39","","71.409","0.001","3800.84","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H56 Al2 F30 N4 P4 W -","- C63 H56 Al2 F30 N4 P4 W -","- C126 H112 Al4 F60 N8 P8 W2 -","2","1","","Escomel, Léon; Martins, Frederico F.; Vendier, Laure; Coffinet, Anaïs; Queyriaux, Nicolas; Krewald, Vera; Simonneau, Antoine","Coordination of Al(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> <i>vs.</i> B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> on group 6 end-on dinitrogen complexes: chemical and structural divergences.","Chemical science","2024","15","29","11321","11336","10.1039/d4sc02713b","","x-ray","1.54184","CuKα","","0.0269","0.0264","","","0.0693","0.0696","","","","","","1.065","","","","has coordinates","293726","2024-08-05","17:52:02",""
"1571919","13.44705","0.00013","13.61546","0.00015","24.0453","0.0002","75.1197","0.0009","82.064","0.0009","76.0014","0.0009","4114.84","0.07","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C75 H52 Al2 F30 N4 P4 W -","- C75 H52 Al2 F30 N4 P4 W -","- C150 H104 Al4 F60 N8 P8 W2 -","2","1","","Escomel, Léon; Martins, Frederico F.; Vendier, Laure; Coffinet, Anaïs; Queyriaux, Nicolas; Krewald, Vera; Simonneau, Antoine","Coordination of Al(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> <i>vs.</i> B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> on group 6 end-on dinitrogen complexes: chemical and structural divergences.","Chemical science","2024","15","29","11321","11336","10.1039/d4sc02713b","","x-ray","1.54184","CuKα","","0.0479","0.0457","","0.1211","0.1188","0.1211","","","","","","0.9973","","","","has coordinates","293726","2024-08-05","17:52:02",""
"1571920","14.901","0.0004","14.901","0.0004","64.976","0.003","90","","90","","90","","14427.3","0.9","100","","100","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C93 H61 Cl3 N8 O2 -","- C93 H61 Cl3 N8 O2 -","- C744 H488 Cl24 N64 O16 -","8","1","","Li, Ranran; Ma, Bin; Li, Meng; Wang, Dan; Liu, Peng; An, Peng","Multi-heteroatom doped nanographenes: enhancing photosensitization capacity by forming an electron donor-acceptor architecture.","Chemical science","2024","15","29","11408","11417","10.1039/d4sc02416h","","x-ray","1.54178","CuKα","","0.1378","0.1089","","","0.2827","0.306","","","","","","1.031","","","","has coordinates","293735","2024-08-05","17:55:03",""
"1571921","12.9051","0.0005","10.5743","0.0005","25.9985","0.0013","90","","95.55","0.002","90","","3531.2","0.3","102","","102","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C47 H34 Cl2 N4 O -","- C47 H34 Cl2 N4 O -","- C188 H136 Cl8 N16 O4 -","4","2","","Li, Ranran; Ma, Bin; Li, Meng; Wang, Dan; Liu, Peng; An, Peng","Multi-heteroatom doped nanographenes: enhancing photosensitization capacity by forming an electron donor-acceptor architecture.","Chemical science","2024","15","29","11408","11417","10.1039/d4sc02416h","","","0.71073","MoKα","","0.1055","0.063","","","0.1392","0.1632","","","","","","1.02","","","","has coordinates","293735","2024-08-05","17:55:03",""
"1571922","13.9675","0.001","15.5987","0.0011","17.3739","0.0013","101.977","0.003","92.5","0.003","105.115","0.003","3555.6","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C93 H66 Cl2 N8 Se2 -","- C93 H66 Cl2 N8 Se2 -","- C186 H132 Cl4 N16 Se4 -","2","1","","Li, Ranran; Ma, Bin; Li, Meng; Wang, Dan; Liu, Peng; An, Peng","Multi-heteroatom doped nanographenes: enhancing photosensitization capacity by forming an electron donor-acceptor architecture.","Chemical science","2024","15","29","11408","11417","10.1039/d4sc02416h","","x-ray","1.54178","CuKα","","0.0418","0.039","","","0.0945","0.0962","","","","","","1.071","","","","has coordinates,has disorder","293735","2024-08-05","17:55:03",""
"1571923","30.4838","0.0004","30.4838","0.0004","17.4815","0.0003","90","","90","","120","","14068.5","0.4","301.2","","301.2","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C26 H32 Cl In N6 O12 -","- C26 H32 Cl In N6 O12 -","- C468 H576 Cl18 In18 N108 O216 -","18","0.5","","Simms, Megan E.; Li, Zhiyao; Sibley, Megan M.; Ivanov, Alexander S.; Lara, Caroline M.; Johnstone, Timothy C.; Kertesz, Vilmos; Fears, Amanda; White, Frankie D.; Thorek, Daniel L. J.; Thiele, Nikki A.","PYTA: a universal chelator for advancing the theranostic palette of nuclear medicine.","Chemical science","2024","15","29","11279","11286","10.1039/d3sc06854d","","","0.71073","MoKα","","0.0315","0.0251","","","0.0617","0.0655","","","","","","1.039","","","","has coordinates,has disorder","293734","2024-08-05","17:54:36",""
"1571924","13.012","0.005","14.323","0.005","15.919","0.006","90","","99.63","0.02","90","","2925","1.9","300.8","","300.8","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H40 Cu N6 O12 -","- C26 H40 Cu N6 O12 -","- C104 H160 Cu4 N24 O48 -","4","0.5","","Simms, Megan E.; Li, Zhiyao; Sibley, Megan M.; Ivanov, Alexander S.; Lara, Caroline M.; Johnstone, Timothy C.; Kertesz, Vilmos; Fears, Amanda; White, Frankie D.; Thorek, Daniel L. J.; Thiele, Nikki A.","PYTA: a universal chelator for advancing the theranostic palette of nuclear medicine.","Chemical science","2024","15","29","11279","11286","10.1039/d3sc06854d","","","0.71073","MoKα","","0.0461","0.0366","","","0.0928","0.0985","","","","","","1.031","","","","has coordinates","293734","2024-08-05","17:54:38",""
"1571925","37.2521","0.0006","11.0181","0.0002","14.5531","0.0002","90","","90.106","0.001","90","","5973.27","0.17","300.4","","300.4","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H37 N6 O11 Sc -","- C26 H37 N6 O11 Sc -","- C208 H296 N48 O88 Sc8 -","8","1","","Simms, Megan E.; Li, Zhiyao; Sibley, Megan M.; Ivanov, Alexander S.; Lara, Caroline M.; Johnstone, Timothy C.; Kertesz, Vilmos; Fears, Amanda; White, Frankie D.; Thorek, Daniel L. J.; Thiele, Nikki A.","PYTA: a universal chelator for advancing the theranostic palette of nuclear medicine.","Chemical science","2024","15","29","11279","11286","10.1039/d3sc06854d","","","0.71073","MoKα","","0.0529","0.0444","","","0.1172","0.1234","","","","","","1.039","","","","has coordinates,has disorder","293734","2024-08-05","17:54:38",""
"1571926","7.1427","0.0003","9.1744","0.0004","9.7896","0.0004","97.571","0.003","107.127","0.004","95.412","0.004","601.69","0.05","100.01","0.11","100.01","0.11","","","","","","","","4","P -1","-P 1","2","","","","- C14 H11 F3 O3 -","- C14 H11 F3 O3 -","- C28 H22 F6 O6 -","2","1","","Biswas, Soumen; Empel, Claire; Sanchez-Palestino, Luis Mario; Arman, Hadi; Koenigs, Rene M.; Doyle, Michael P.","Denitrogenative dismantling of heteroaromatics by nucleophilic substitution reactions with diazomethyl compounds.","Chemical science","2024","15","28","11065","11071","10.1039/d4sc01578a","","x-ray","1.54184","CuKα","","0.0414","0.0365","","","0.0994","0.1034","","","","","","1.056","","","","has coordinates","293750","2024-08-05","18:00:04",""
"1571927","10.4348","0.0002","9.9373","0.0002","18.8362","0.0003","90","","99.256","0.002","90","","1927.76","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N5 O4 -","- C20 H17 N5 O4 -","- C80 H68 N20 O16 -","4","1","","Biswas, Soumen; Empel, Claire; Sanchez-Palestino, Luis Mario; Arman, Hadi; Koenigs, Rene M.; Doyle, Michael P.","Denitrogenative dismantling of heteroaromatics by nucleophilic substitution reactions with diazomethyl compounds.","Chemical science","2024","15","28","11065","11071","10.1039/d4sc01578a","","x-ray","1.54184","CuKα","","0.0534","0.0464","","","0.1182","0.1231","","","","","","1.025","","","","has coordinates,has disorder","293750","2024-08-05","18:00:05",""
"1571928","21.3965","0.0002","15.0939","0.0002","24.2325","0.0003","90","","92.625","0.001","90","","7817.83","0.16","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45.13 H106.82 Hf Mo10 N5 O36.78 -","- C45.128 H106.82 Hf Mo10 N5 O36.782 -","- C180.512 H427.28 Hf4 Mo40 N20 O147.128 -","4","1","","Shiels, Dominic; Brennessel, William W.; Crawley, Matthew R.; Matson, Ellen M.","Leveraging a reduced polyoxomolybdate-alkoxide cluster for the formation of a stable U(v) sandwich complex.","Chemical science","2024","15","28","11072","11083","10.1039/d4sc02644f","","x-ray","0.71073","MoKα","","0.0498","0.0394","","","0.0779","0.0812","","","","","","1.025","","","","has coordinates,has disorder","293747","2024-08-05","17:59:28",""
"1571929","12.8161","0.0002","15.4649","0.0002","19.9194","0.0003","87.176","0.001","84.075","0.001","73.714","0.001","3768.5","0.1","100.01","0.16","100.01","0.16","","","","","","","","6","P -1","-P 1","2","","","","- C42 H99 Mo10 N5 O36 Th -","- C42 H99 Mo10 N5 O36 Th -","- C84 H198 Mo20 N10 O72 Th2 -","2","1","","Shiels, Dominic; Brennessel, William W.; Crawley, Matthew R.; Matson, Ellen M.","Leveraging a reduced polyoxomolybdate-alkoxide cluster for the formation of a stable U(v) sandwich complex.","Chemical science","2024","15","28","11072","11083","10.1039/d4sc02644f","","x-ray","0.56087","AgKα","","0.0372","0.0252","","","0.0507","0.053","","","","","","1.04","","","","has coordinates,has disorder","293747","2024-08-05","17:59:29",""
"1571930","16.31","0.0001","21.2206","0.0001","18.9017","0.0001","90","","103.313","0.001","90","","6366.22","0.07","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26.61 H65.22 Cl5.22 Mo10 N3 O36 U -","- C26.609 H65.218 Cl5.218 Mo10 N3 O36 U -","- C106.436 H260.872 Cl20.872 Mo40 N12 O144 U4 -","4","1","","Shiels, Dominic; Brennessel, William W.; Crawley, Matthew R.; Matson, Ellen M.","Leveraging a reduced polyoxomolybdate-alkoxide cluster for the formation of a stable U(v) sandwich complex.","Chemical science","2024","15","28","11072","11083","10.1039/d4sc02644f","","x-ray","1.54184","CuKα","","0.0404","0.0389","","","0.1028","0.1038","","","","","","1.093","","","","has coordinates,has disorder","293747","2024-08-05","17:59:29",""
"1571931","21.7821","0.0005","15.0682","0.0004","24.1223","0.0006","90","","92.925","0.002","90","","7907","0.3","100.2","0.4","100.2","0.4","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45.75 H108 Mo10 N5 O36 U -","- C42 H99 Mo10 N5 O36 U -","- C168 H396 Mo40 N20 O144 U4 -","4","1","","Shiels, Dominic; Brennessel, William W.; Crawley, Matthew R.; Matson, Ellen M.","Leveraging a reduced polyoxomolybdate-alkoxide cluster for the formation of a stable U(v) sandwich complex.","Chemical science","2024","15","28","11072","11083","10.1039/d4sc02644f","","x-ray","0.56087","AgKα","","0.0756","0.045","","","0.0972","0.1141","","","","","","1.061","","","","has coordinates,has disorder","293747","2024-08-05","17:59:29",""
"1571932","21.4037","0.0002","15.094","0.0002","24.2093","0.0003","90","","92.655","0.001","90","","7812.84","0.16","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45.1 H106.75 Mo10 N5 O36.78 Zr -","- C45.104 H106.76 Mo10 N5 O36.776 Zr -","- C180.416 H427.04 Mo40 N20 O147.104 Zr4 -","4","1","","Shiels, Dominic; Brennessel, William W.; Crawley, Matthew R.; Matson, Ellen M.","Leveraging a reduced polyoxomolybdate-alkoxide cluster for the formation of a stable U(v) sandwich complex.","Chemical science","2024","15","28","11072","11083","10.1039/d4sc02644f","","x-ray","0.71073","MoKα","","0.0553","0.0445","","","0.0891","0.0929","","","","","","1.046","","","","has coordinates,has disorder","293747","2024-08-05","17:59:29",""
"1571933","25.733","0.002","25.06","0.002","20.5893","0.0016","90","","107.794","0.003","90","","12642.2","1.7","193","","193","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C106 H122 F4 N12 O2 S6 -","- C106 H122 F